G4VG79_SCHMA Loading...

Alpha-1,3/1,6-mannosyltransferase ALG2

Mannosylates Man(2)GlcNAc(2)-dolichol diphosphate and Man(1)GlcNAc(2)-dolichol diphosphate to form Man(3)GlcNAc(2)-dolichol diphosphate.

AlphaFold DB , UniProt , Accession G4VG79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 433 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.3	Confident	92.5	Very high	209 Å²	209	40.8 Å²	40.8	100%	1.03	21%	0.212	S	C	*	.				0	144.8	0	-67.1	-168.8	-166.4	0	0	107.8
2	P	86.5	Confident	92.3	Very high	80 Å²	80	37.5 Å²	37.5	52%	0.519	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-56	142.9	170.7	24.7	-32.2	0	0	0	109.8	G32 D34	P2-G32 WeakPolarHBondContact CB-O 3.47Å; P2-D34 HydrophobicContact CB-CB 4.21Å; P2-D34 HydrophobicContact CG-CB 4.11Å
3	K	95.1	Very high	91.8	Very high	77 Å²	77	35.9 Å²	35.9	34%	0.335	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-69.6	135.9	175.4	-71.6	-73.4	-173.1	179.6	0	108.5	Y33 D34 D97 I428	K3-Y33 HydrophobicContact CB-CD1 3.75Å; K3-Y33 HydrophobicContact CB-CE1 3.97Å; K3-D34 PolarHBondContact O-N 2.9Å; K3-D97 VanDerWaalsContact CA-OD2 3.3Å; K3-D97 WeakPolarHBondContact CA-OD2 3.37Å; K3-D97 HydrophobicContact CB-CB 4.49Å; K3-D97 HydrophobicContact CD-CB 4.08Å; K3-D97 WeakPolarHBondContact CD-OD1 3.43Å; K3-D97 VanDerWaalsContact CD-OD2 3.25Å; K3-D97 WeakPolarHBondContact CD-OD2 3.45Å; K3-D97 IonicContact NZ-OD1 3.18Å; K3-D97 PolarHBondContact NZ-OD1 3.04Å; K3-I428 HydrophobicContact CB-CD1 4.37Å; K3-I428 HydrophobicContact CD-CD1 4.48Å; K3-I428 HydrophobicContact CD-CG2 4.49Å; K3-I428 HydrophobicContact CG-CD1 4.39Å
4	Q	96.3	Very high	90.8	Very high	25 Å²	25	40.3 Å²	40.3	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.2	-173.1	-166.5	-174.7	14.1	0	0	110.6	D34 K94 P96 D97 V98	Q4-D34 CarbonylContact C-O 3.53Å; Q4-D34 WeakPolarHBondContact CA-O 3.49Å; Q4-K94 PolarHBondContact OE1-O 3.23Å; Q4-P96 HydrophobicContact CB-CB 4.23Å; Q4-P96 HydrophobicContact CG-CB 4.14Å; Q4-P96 WeakPolarHBondContact O-CB 3.26Å; Q4-D97 PolarHBondContact N-OD2 3.2Å; Q4-D97 PolarHBondContact O-N 3.01Å; Q4-V98 PolarHBondContact O-N 2.62Å
5	I	97.4	Very high	90.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.6	178	-55	179.6	0	0	0	108.9	F7 L28 Y33 D34 V35 S36 V98 F100 V424	I5-F7 HydrophobicContact CG2-CD2 4.43Å; I5-F7 HydrophobicContact CG2-CE2 3.98Å; I5-L28 HydrophobicContact CD1-CB 4.3Å; I5-L28 HydrophobicContact CD1-CD1 3.78Å; I5-L28 HydrophobicContact CD1-CD2 4Å; I5-L28 HydrophobicContact CD1-CG 4.25Å; I5-L28 HydrophobicContact CG2-CD1 4.23Å; I5-Y33 HydrophobicContact CD1-CD1 3.57Å; I5-Y33 HydrophobicContact CD1-CD2 4.02Å; I5-Y33 HydrophobicContact CD1-CE1 4.15Å; I5-Y33 HydrophobicContact CD1-CG 3.52Å; I5-Y33 HydrophobicContact CG1-CD1 4.13Å; I5-Y33 HydrophobicContact CG1-CG 4.31Å; I5-D34 PolarHBondContact N-O 3.46Å; I5-V35 WeakPolarHBondContact O-CA 3.2Å; I5-S36 PolarHBondContact O-N 3.08Å; I5-V98 WeakPolarHBondContact CA-O 3.48Å; I5-F100 HydrophobicContact CG2-CD2 3.7Å; I5-F100 HydrophobicContact CG2-CE2 3.86Å; I5-V424 HydrophobicContact CD1-CG1 3.73Å; I5-V424 HydrophobicContact CD1-CG2 4.37Å
6	V	97.8	Very high	89.7	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	177.5	173.6	0	0	0	0	109.2	S36 I38 L89 P96 V98 T99 F100	V6-S36 WeakPolarHBondContact CA-O 3.39Å; V6-S36 WeakPolarHBondContact CG2-OG 3.48Å; V6-I38 HydrophobicContact CG1-CD1 3.79Å; V6-I38 HydrophobicContact CG1-CG1 4.07Å; V6-L89 HydrophobicContact CB-CD1 4.44Å; V6-L89 HydrophobicContact CG1-CD1 4.07Å; V6-L89 HydrophobicContact CG1-CD2 4.03Å; V6-L89 HydrophobicContact CG2-CD1 4.1Å; V6-P96 HydrophobicContact CB-CB 4.27Å; V6-P96 HydrophobicContact CB-CG 4.03Å; V6-P96 HydrophobicContact CG2-CB 3.67Å; V6-P96 HydrophobicContact CG2-CG 3.73Å; V6-V98 PolarHBondContact N-O 3.15Å; V6-V98 VanDerWaalsContact N-O 3.1Å; V6-T99 CarbonylContact O-C 3.2Å; V6-T99 WeakPolarHBondContact O-CA 3.47Å; V6-F100 PolarHBondContact O-N 3.03Å
7	F	97.8	Very high	89.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.1	168.2	-70.8	-97.7	0	0	0	109.9	I5 I21 A25 L28 V35 S36 I37 I38 F100	I5-F7 HydrophobicContact CG2-CD2 4.43Å; I5-F7 HydrophobicContact CG2-CE2 3.98Å; F7-I21 HydrophobicContact CB-CG2 4.2Å; F7-I21 HydrophobicContact CD1-CD1 4.16Å; F7-I21 HydrophobicContact CD1-CG2 3.83Å; F7-I21 HydrophobicContact CE1-CD1 4.46Å; F7-I21 HydrophobicContact CG-CG2 4.21Å; F7-A25 HydrophobicContact CD2-CB 4.06Å; F7-A25 HydrophobicContact CE2-CB 3.81Å; F7-A25 HydrophobicContact CZ-CB 4.3Å; F7-L28 HydrophobicContact CE2-CD1 4.13Å; F7-L28 HydrophobicContact CZ-CD1 3.83Å; F7-V35 HydrophobicContact CD2-CG1 3.9Å; F7-V35 HydrophobicContact CE2-CG1 3.74Å; F7-S36 PolarHBondContact N-O 2.91Å; F7-I37 HydrophobicContact CB-CG1 4.17Å; F7-I37 HydrophobicContact CB-CG2 4.41Å; F7-I37 WeakPolarHBondContact O-CA 3.3Å; F7-I38 PolarHBondContact O-N 3.04Å; F7-F100 HydrophobicContact CB-CB 4.5Å; F7-F100 HydrophobicContact CD1-CB 3.35Å; F7-F100 HydrophobicContact CD1-CD1 4.34Å; F7-F100 HydrophobicContact CD1-CD2 4.4Å; F7-F100 AromaticContact CD1-CG 3.81Å; F7-F100 HydrophobicContact CD1-CG 3.81Å; F7-F100 HydrophobicContact CE1-CB 3.6Å; F7-F100 AromaticContact CE1-CD1 3.73Å; F7-F100 HydrophobicContact CE1-CD1 3.73Å; F7-F100 AromaticContact CE1-CD2 3.94Å; F7-F100 HydrophobicContact CE1-CD2 3.94Å; F7-F100 HydrophobicContact CE1-CE1 4.37Å; F7-F100 AromaticContact CE1-CG 3.48Å; F7-F100 HydrophobicContact CE1-CG 3.48Å; F7-F100 VanDerWaalsContact CE1-CG 3.48Å; F7-F100 HydrophobicContact CE2-CD2 4.41Å; F7-F100 HydrophobicContact CG-CB 3.97Å; F7-F100 HydrophobicContact CZ-CB 4.38Å; F7-F100 HydrophobicContact CZ-CD1 4.36Å; F7-F100 AromaticContact CZ-CD2 3.94Å; F7-F100 HydrophobicContact CZ-CD2 3.94Å; F7-F100 HydrophobicContact CZ-CE2 4.31Å; F7-F100 AromaticContact CZ-CG 3.98Å; F7-F100 HydrophobicContact CZ-CG 3.98Å
8	L	97.5	Very high	89.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.8	167.8	-79.3	167.8	0	0	0	108.9	I38 A85 T86 L89 T99 F100 V101 D102 L111	L8-I38 HydrophobicContact CD2-CB 3.88Å; L8-I38 HydrophobicContact CD2-CG2 3.89Å; L8-A85 HydrophobicContact CD2-CB 4.18Å; L8-T86 HydrophobicContact CD1-CG2 4.38Å; L8-L89 HydrophobicContact CD1-CD2 3.79Å; L8-L89 HydrophobicContact CG-CD2 4.18Å; L8-T99 HydrophobicContact CD1-CG2 3.83Å; L8-T99 HydrophobicContact CG-CG2 4.3Å; L8-F100 PolarHBondContact N-O 3.19Å; L8-V101 HydrophobicContact CB-CG2 4.33Å; L8-V101 HydrophobicContact CD1-CG2 4.26Å; L8-D102 PolarHBondContact O-N 2.88Å; L8-L111 HydrophobicContact CD1-CD1 3.91Å
9	H	95.9	Very high	89.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.5	-176.2	-176.1	68.3	0	0	0	110.7	L12 E18 I21 I38 T39 D102 Q103	H9-L12 WeakPolarHBondContact CD2-CD1 3.34Å; H9-E18 WeakPolarHBondContact NE2-CG 3.42Å; H9-I21 HydrophobicContact CB-CG2 4.31Å; H9-I38 PolarHBondContact N-O 3.34Å; H9-I38 VanDerWaalsContact N-O 3.1Å; H9-T39 WeakPolarHBondContact O-CA 3.47Å; H9-T39 WeakPolarHBondContact O-CB 3.37Å; H9-T39 PolarHBondContact O-OG1 3.04Å; H9-D102 WeakPolarHBondContact CA-OD1 3.23Å; H9-D102 WeakPolarHBondContact CB-OD1 3.32Å; H9-D102 IonicContact CE1-OD1 2.77Å; H9-D102 IonicContact CE1-OD2 3.2Å; H9-D102 PolarHBondContact CE1-OD2 3.48Å; H9-D102 IonicContact CG-OD1 3.1Å; H9-D102 IonicContact ND1-OD1 3.35Å; H9-D102 PolarHBondContact ND1-OD1 3.18Å; H9-D102 IonicContact ND1-OD2 2.89Å; H9-D102 PolarHBondContact ND1-OD2 3.47Å; H9-Q103 PolarHBondContact CE1-NE2 3.46Å
10	P	91.3	Very high	89.6	Confident	15 Å²	15	37.7 Å²	37.7	10%	0.097	22%	0.222	C	C	.	.	S	Bend	trans	-57.6	167.5	167.7	-22.8	34.7	0	0	0	112.2	L12 T39 L82 Q103 I104	P10-L12 PolarHBondContact O-N 2.95Å; P10-L12 VanDerWaalsContact O-N 3.08Å; P10-T39 PolarHBondContact O-OG1 3.49Å; P10-L82 HydrophobicContact CG-CD1 4.49Å; P10-L82 HydrophobicContact CG-CD2 4.16Å; P10-Q103 HydrophobicContact CG-CB 3.97Å; P10-Q103 HydrophobicContact CG-CG 4.47Å; P10-I104 HydrophobicContact CG-CD1 4.09Å; P10-I104 HydrophobicContact CG-CG1 4.39Å
11	D	91.2	Very high	89.8	Confident	42 Å²	42	36 Å²	36	23%	0.225	21%	0.211	C	C	.	.	S	Bend	trans	-13.6	101	176.7	-61.9	-10.6	0	0	0	116.6	G13 N40 H41 R67 R81	D11-G13 PolarHBondContact O-N 3.46Å; D11-N40 WeakPolarHBondContact OD1-CB 3.37Å; D11-H41 CarbonylContact C-O 3.58Å; D11-H41 HydrophobicContact CB-CB 3.89Å; D11-H41 VanDerWaalsContact OD1-CB 3.27Å; D11-H41 WeakPolarHBondContact OD1-CB 3.34Å; D11-R67 IonicContact OD2-CZ 3.77Å; D11-R67 IonicContact OD2-NE 2.99Å; D11-R67 PolarHBondContact OD2-NE 2.93Å; D11-R67 VanDerWaalsContact OD2-NE 3.12Å; D11-R67 IonicContact OD2-NH2 3.6Å; D11-R81 IonicContact OD1-CZ 3.77Å; D11-R81 IonicContact OD1-NE 2.99Å; D11-R81 IonicContact OD1-NH2 3.61Å; D11-R81 PolarHBondContact OD1-NH2 3.35Å
12	L	90.1	Very high	90.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-78.1	86.7	-176	-166.5	71.2	0	0	0	111.6	H9 P10 E18 V22 I37 T39 H41 T51 V58	H9-L12 WeakPolarHBondContact CD2-CD1 3.34Å; P10-L12 PolarHBondContact O-N 2.95Å; P10-L12 VanDerWaalsContact O-N 3.08Å; L12-E18 HydrophobicContact CD1-CB 4.48Å; L12-V22 HydrophobicContact CD1-CG2 4.3Å; L12-I37 HydrophobicContact CD2-CG2 4.32Å; L12-T39 HydrophobicContact CB-CG2 3.93Å; L12-T39 PolarHBondContact N-OG1 3.35Å; L12-H41 PolarHBondContact N-O 3.28Å; L12-T51 HydrophobicContact CD2-CG2 3.82Å; L12-V58 HydrophobicContact CD2-CG1 4.16Å; L12-V58 HydrophobicContact CD2-CG2 4.49Å
13	G	85.9	Confident	91.3	Very high	17 Å²	17	22.9 Å²	22.9	18%	0.175	14%	0.141	C	C	.	.			trans	-107.7	-140.7	176	0	0	0	0	0	113.8	D11	D11-G13 PolarHBondContact O-N 3.46Å
14	I	78.9	Confident	91.3	Very high	97 Å²	97	19.2 Å²	19.2	50%	0.497	13%	0.125	S	C	.	.	S	Bend	trans	-112.5	111.6	174.4	-55.3	-176.4	0	0	0	109.5	H46 F48	I14-H46 VanDerWaalsContact CD1-CE1 3.46Å; I14-H46 WeakPolarHBondContact CD1-CE1 3.5Å; I14-F48 HydrophobicContact CG2-CE1 4.37Å; I14-F48 HydrophobicContact CG2-CZ 4.14Å
15	G	81.2	Confident	91.3	Very high	26 Å²	26	18 Å²	18	27%	0.268	12%	0.12	S	C	.	.	S	Bend	trans	-170.2	179.7	175.4	0	0	0	0	0	111.9	E18 R19	G15-E18 WeakPolarHBondContact CA-OE2 3.37Å; G15-E18 PolarHBondContact N-OE2 3.18Å; G15-R19 VanDerWaalsContact O-CB 3.29Å; G15-R19 WeakPolarHBondContact O-CB 3.49Å; G15-R19 PolarHBondContact O-N 2.92Å
16	G	81.9	Confident	91.1	Very high	64 Å²	64	20.4 Å²	20.4	66%	0.66	13%	0.134	S	C	*	.	H	α-helix	trans	-73.1	-31.3	-175.8	0	0	0	0	0	113.3	E18 L20	G16-E18 PolarHBondContact N-OE2 3.42Å; G16-L20 PolarHBondContact O-N 3.23Å
17	A	85.8	Confident	91	Very high	17 Å²	17	20.8 Å²	20.8	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-74.8	-48.9	178.5	0	0	0	0	0	110.3	R19 L20 I21 Q103 H123	A17-R19 VanDerWaalsContact C-N 3.29Å; A17-R19 PolarHBondContact O-N 2.92Å; A17-L20 WeakPolarHBondContact O-CB 3.5Å; A17-L20 PolarHBondContact O-N 3.26Å; A17-L20 VanDerWaalsContact O-N 3.12Å; A17-I21 PolarHBondContact O-N 3.11Å; A17-Q103 HydrophobicContact CB-CG 4.33Å; A17-H123 WeakPolarHBondContact CA-CE1 3.18Å
18	E	90.2	Very high	90.9	Very high	34 Å²	34	20.9 Å²	20.9	16%	0.159	14%	0.138	C	C	.	.	H	α-helix	trans	-52.7	-47.4	173.7	-59	69.9	-169	0	0	110.3	H9 L12 G15 G16 L20 I21 V22 F48	H9-E18 WeakPolarHBondContact NE2-CG 3.42Å; L12-E18 HydrophobicContact CD1-CB 4.48Å; G15-E18 WeakPolarHBondContact CA-OE2 3.37Å; G15-E18 PolarHBondContact N-OE2 3.18Å; G16-E18 PolarHBondContact N-OE2 3.42Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.08Å; E18-I21 PolarHBondContact O-N 3.4Å; E18-V22 WeakPolarHBondContact O-CG2 3.26Å; E18-V22 PolarHBondContact O-N 3.41Å; E18-F48 HydrophobicContact CB-CE2 3.76Å
19	R	90.1	Very high	90.8	Very high	41 Å²	41	23.6 Å²	23.6	16%	0.155	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-44.7	179.5	179.4	61	-163.1	-172.1	10.8	111.9	G15 A17 V22 D23 F48 E50	G15-R19 VanDerWaalsContact O-CB 3.29Å; G15-R19 WeakPolarHBondContact O-CB 3.49Å; G15-R19 PolarHBondContact O-N 2.92Å; A17-R19 VanDerWaalsContact C-N 3.29Å; A17-R19 PolarHBondContact O-N 2.92Å; R19-V22 PolarHBondContact O-N 3.3Å; R19-D23 WeakPolarHBondContact CG-OD2 3.42Å; R19-D23 IonicContact CZ-OD1 2.89Å; R19-D23 IonicContact CZ-OD2 3.48Å; R19-D23 VanDerWaalsContact NE-CG 3.3Å; R19-D23 IonicContact NE-OD1 3.52Å; R19-D23 PolarHBondContact NE-OD1 3.14Å; R19-D23 IonicContact NE-OD2 3.85Å; R19-D23 PolarHBondContact NE-OD2 2.96Å; R19-D23 IonicContact NH2-OD1 3.44Å; R19-D23 PolarHBondContact NH2-OD1 2.93Å; R19-D23 IonicContact NH2-OD2 3.33Å; R19-D23 WeakPolarHBondContact O-CB 3.41Å; R19-D23 PolarHBondContact O-N 2.99Å; R19-F48 HydrophobicContact CB-CE1 4.35Å; R19-F48 HydrophobicContact CB-CE2 4.03Å; R19-F48 HydrophobicContact CB-CZ 3.67Å; R19-F48 HydrophobicContact CG-CZ 4.36Å; R19-E50 IonicContact CZ-OE1 2.69Å; R19-E50 IonicContact NH1-OE1 3.69Å; R19-E50 PolarHBondContact NH1-OE1 2.91Å; R19-E50 IonicContact NH1-OE2 2.65Å; R19-E50 IonicContact NH2-OE1 3.49Å; R19-E50 PolarHBondContact NH2-OE1 2.74Å
20	L	91.3	Very high	90.7	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-41.4	-179.9	-179.9	89.4	0	0	0	111.5	G16 A17 E18 V22 D23 S24 Y121 H123 P187 F416	G16-L20 PolarHBondContact O-N 3.23Å; A17-L20 WeakPolarHBondContact O-CB 3.5Å; A17-L20 PolarHBondContact O-N 3.26Å; A17-L20 VanDerWaalsContact O-N 3.12Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.08Å; L20-V22 VanDerWaalsContact C-N 3.32Å; L20-D23 PolarHBondContact O-N 2.7Å; L20-S24 WeakPolarHBondContact O-CB 3.47Å; L20-S24 PolarHBondContact O-N 2.79Å; L20-S24 PolarHBondContact O-OG 3.32Å; L20-Y121 HydrophobicContact CD1-CE2 4.46Å; L20-Y121 HydrophobicContact CD2-CD1 3.43Å; L20-Y121 VanDerWaalsContact CD2-CD1 3.43Å; L20-Y121 HydrophobicContact CD2-CD2 3.71Å; L20-Y121 HydrophobicContact CD2-CE1 3.14Å; L20-Y121 HydrophobicContact CD2-CE2 3.44Å; L20-Y121 VanDerWaalsContact CD2-CE2 3.44Å; L20-Y121 HydrophobicContact CD2-CG 3.73Å; L20-Y121 HydrophobicContact CG-CE2 4.39Å; L20-H123 WeakPolarHBondContact CD2-CE1 3.45Å; L20-P187 HydrophobicContact CD1-CB 4.13Å; L20-P187 HydrophobicContact CD1-CG 4.26Å; L20-F416 HydrophobicContact CD1-CE2 4.1Å; L20-F416 HydrophobicContact CD1-CZ 4.37Å
21	I	94.1	Very high	90.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-44.3	176.4	-66.1	-53.5	0	0	0	110.6	F7 H9 A17 E18 S24 A25 I37 D102	F7-I21 HydrophobicContact CB-CG2 4.2Å; F7-I21 HydrophobicContact CD1-CD1 4.16Å; F7-I21 HydrophobicContact CD1-CG2 3.83Å; F7-I21 HydrophobicContact CE1-CD1 4.46Å; F7-I21 HydrophobicContact CG-CG2 4.21Å; H9-I21 HydrophobicContact CB-CG2 4.31Å; A17-I21 PolarHBondContact O-N 3.11Å; E18-I21 PolarHBondContact O-N 3.4Å; I21-S24 WeakPolarHBondContact O-CB 3.24Å; I21-S24 PolarHBondContact O-N 2.93Å; I21-A25 WeakPolarHBondContact O-CB 3.28Å; I21-A25 PolarHBondContact O-N 3.39Å; I21-I37 HydrophobicContact CG2-CD1 4.5Å; I21-D102 HydrophobicContact CD1-CB 3.83Å; I21-D102 VanDerWaalsContact CD1-CG 3.49Å; I21-D102 HydrophobicContact CG1-CB 4.41Å; I21-D102 WeakPolarHBondContact CG1-OD2 3.49Å
22	V	93.4	Very high	91	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-45.9	175.2	174	0	0	0	0	111.4	L12 E18 R19 L20 S24 A25 V26 F48 E50 T51	L12-V22 HydrophobicContact CD1-CG2 4.3Å; E18-V22 WeakPolarHBondContact O-CG2 3.26Å; E18-V22 PolarHBondContact O-N 3.41Å; R19-V22 PolarHBondContact O-N 3.3Å; L20-V22 VanDerWaalsContact C-N 3.32Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 3.24Å; V22-A25 PolarHBondContact O-N 2.94Å; V22-V26 HydrophobicContact CG1-CG2 4.35Å; V22-V26 WeakPolarHBondContact O-CB 3.42Å; V22-V26 VanDerWaalsContact O-CG2 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.45Å; V22-V26 PolarHBondContact O-N 3.49Å; V22-F48 HydrophobicContact CB-CD2 4.47Å; V22-F48 HydrophobicContact CG1-CB 4.27Å; V22-F48 HydrophobicContact CG2-CB 4.41Å; V22-F48 HydrophobicContact CG2-CD2 3.92Å; V22-E50 HydrophobicContact CG1-CB 3.68Å; V22-E50 HydrophobicContact CG1-CG 4.31Å; V22-T51 HydrophobicContact CG1-CG2 4.32Å; V22-T51 HydrophobicContact CG2-CG2 3.56Å
23	D	93.7	Very high	91.2	Very high	14 Å²	14	29 Å²	29	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-39	176.5	-76.1	-33.1	0	0	0	111.9	R19 L20 A27 I188 F416	R19-D23 WeakPolarHBondContact CG-OD2 3.42Å; R19-D23 IonicContact CZ-OD1 2.89Å; R19-D23 IonicContact CZ-OD2 3.48Å; R19-D23 VanDerWaalsContact NE-CG 3.3Å; R19-D23 IonicContact NE-OD1 3.52Å; R19-D23 PolarHBondContact NE-OD1 3.14Å; R19-D23 IonicContact NE-OD2 3.85Å; R19-D23 PolarHBondContact NE-OD2 2.96Å; R19-D23 IonicContact NH2-OD1 3.44Å; R19-D23 PolarHBondContact NH2-OD1 2.93Å; R19-D23 IonicContact NH2-OD2 3.33Å; R19-D23 WeakPolarHBondContact O-CB 3.41Å; R19-D23 PolarHBondContact O-N 2.99Å; L20-D23 PolarHBondContact O-N 2.7Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 2.9Å; D23-I188 HydrophobicContact CB-CD1 4.2Å; D23-I188 HydrophobicContact CB-CG1 4.34Å; D23-F416 HydrophobicContact CB-CE1 4.34Å; D23-F416 HydrophobicContact CB-CZ 4.47Å
24	S	95.7	Very high	91.7	Very high	1 Å²	1	32 Å²	32	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-45.9	177.1	-57	0	0	0	0	111.4	L20 I21 V22 A27 L28 F416 L420	L20-S24 WeakPolarHBondContact O-CB 3.47Å; L20-S24 PolarHBondContact O-N 2.79Å; L20-S24 PolarHBondContact O-OG 3.32Å; I21-S24 WeakPolarHBondContact O-CB 3.24Å; I21-S24 PolarHBondContact O-N 2.93Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 3.24Å; S24-A27 PolarHBondContact O-N 3.5Å; S24-L28 WeakPolarHBondContact O-CG 3.23Å; S24-L28 PolarHBondContact O-N 3Å; S24-F416 WeakPolarHBondContact OG-CZ 3.46Å; S24-L420 WeakPolarHBondContact O-CD2 3.13Å
25	A	95.7	Very high	92.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-47	179.7	0	0	0	0	0	111.6	F7 I21 V22 A27 L28 E29 V35 I37 L56	F7-A25 HydrophobicContact CD2-CB 4.06Å; F7-A25 HydrophobicContact CE2-CB 3.81Å; F7-A25 HydrophobicContact CZ-CB 4.3Å; I21-A25 WeakPolarHBondContact O-CB 3.28Å; I21-A25 PolarHBondContact O-N 3.39Å; V22-A25 PolarHBondContact O-N 2.94Å; A25-A27 PolarHBondContact O-N 2.91Å; A25-L28 PolarHBondContact O-N 2.8Å; A25-E29 WeakPolarHBondContact O-CB 3.44Å; A25-E29 PolarHBondContact O-N 3.45Å; A25-V35 HydrophobicContact CB-CG1 3.84Å; A25-I37 HydrophobicContact CB-CD1 4.08Å; A25-I37 HydrophobicContact CB-CG1 4.41Å; A25-L56 HydrophobicContact CB-CD1 3.77Å; A25-L56 HydrophobicContact CB-CD2 4.18Å
26	V	94.2	Very high	93.3	Very high	49 Å²	49	26.8 Å²	26.8	30%	0.297	18%	0.176	S	C	.	.	H	α-helix	trans	-63.6	-40.5	176.2	172.4	0	0	0	0	111.4	V22 L28 E29 S30 E50	V22-V26 HydrophobicContact CG1-CG2 4.35Å; V22-V26 WeakPolarHBondContact O-CB 3.42Å; V22-V26 VanDerWaalsContact O-CG2 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.45Å; V22-V26 PolarHBondContact O-N 3.49Å; V26-L28 PolarHBondContact O-N 2.89Å; V26-E29 PolarHBondContact O-N 3.36Å; V26-S30 WeakPolarHBondContact O-CB 3.48Å; V26-S30 PolarHBondContact O-N 3.44Å; V26-S30 PolarHBondContact O-OG 3.01Å; V26-E50 HydrophobicContact CG2-CB 3.98Å; V26-E50 HydrophobicContact CG2-CG 4.27Å
27	A	94.9	Very high	94	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-44.7	177.8	0	0	0	0	0	111.7	D23 S24 A25 S30 C31 F416 K417 L420	D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 2.9Å; S24-A27 PolarHBondContact O-N 3.5Å; A25-A27 PolarHBondContact O-N 2.91Å; A27-S30 PolarHBondContact O-N 3.07Å; A27-S30 PolarHBondContact O-OG 2.82Å; A27-C31 PolarHBondContact O-N 3.31Å; A27-F416 HydrophobicContact CB-CD1 3.96Å; A27-F416 HydrophobicContact CB-CE1 3.87Å; A27-K417 HydrophobicContact CB-CB 4.18Å; A27-K417 HydrophobicContact CB-CG 4.38Å; A27-L420 HydrophobicContact CB-CD2 4.26Å
28	L	96.1	Very high	94.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-71.1	-40.2	178.6	-72.1	167.7	0	0	0	112.6	I5 F7 S24 A25 V26 S30 C31 G32 Y33 V35 F100 L420 V424	I5-L28 HydrophobicContact CD1-CB 4.3Å; I5-L28 HydrophobicContact CD1-CD1 3.78Å; I5-L28 HydrophobicContact CD1-CD2 4Å; I5-L28 HydrophobicContact CD1-CG 4.25Å; I5-L28 HydrophobicContact CG2-CD1 4.23Å; F7-L28 HydrophobicContact CE2-CD1 4.13Å; F7-L28 HydrophobicContact CZ-CD1 3.83Å; S24-L28 WeakPolarHBondContact O-CG 3.23Å; S24-L28 PolarHBondContact O-N 3Å; A25-L28 PolarHBondContact O-N 2.8Å; V26-L28 PolarHBondContact O-N 2.89Å; L28-S30 PolarHBondContact O-N 3.44Å; L28-C31 WeakPolarHBondContact O-CA 3.32Å; L28-C31 VanDerWaalsContact O-CB 3.28Å; L28-C31 WeakPolarHBondContact O-CB 3.39Å; L28-C31 PolarHBondContact O-N 3.24Å; L28-G32 PolarHBondContact O-N 2.91Å; L28-Y33 HydrophobicContact CB-CD2 4.06Å; L28-Y33 HydrophobicContact CD2-CD2 3.69Å; L28-Y33 HydrophobicContact CD2-CE2 3.73Å; L28-Y33 VanDerWaalsContact O-CD2 3.28Å; L28-Y33 WeakPolarHBondContact O-CD2 3.48Å; L28-Y33 PolarHBondContact O-N 3.41Å; L28-V35 HydrophobicContact CB-CG2 3.94Å; L28-F100 HydrophobicContact CD1-CE2 4.08Å; L28-F100 HydrophobicContact CD1-CZ 4.31Å; L28-L420 HydrophobicContact CD1-CD1 4.37Å; L28-L420 HydrophobicContact CD1-CD2 3.91Å; L28-L420 HydrophobicContact CD1-CG 4.09Å; L28-L420 HydrophobicContact CD2-CD2 4.3Å; L28-L420 HydrophobicContact CD2-CG 3.96Å; L28-L420 HydrophobicContact CG-CD2 3.73Å; L28-L420 HydrophobicContact CG-CG 3.93Å; L28-V424 HydrophobicContact CD1-CG2 4.27Å; L28-V424 HydrophobicContact CD2-CB 4.43Å; L28-V424 HydrophobicContact CD2-CG2 3.95Å
29	E	95.1	Very high	94.9	Very high	57 Å²	57	21.5 Å²	21.5	27%	0.266	13%	0.131	S	C	.	.	H	α-helix	trans	-56.7	-44.7	173.3	-177.8	-83.2	171.2	0	0	110.2	A25 V26 C31 G32 V35 N55	A25-E29 WeakPolarHBondContact O-CB 3.44Å; A25-E29 PolarHBondContact O-N 3.45Å; V26-E29 PolarHBondContact O-N 3.36Å; E29-C31 PolarHBondContact O-N 3.35Å; E29-C31 VanDerWaalsContact O-N 3.1Å; E29-G32 PolarHBondContact O-N 3.48Å; E29-V35 HydrophobicContact CB-CB 4.38Å; E29-V35 HydrophobicContact CB-CG2 4.08Å; E29-N55 HydrophobicContact CG-CB 4.36Å; E29-N55 WeakPolarHBondContact OE1-CB 3.27Å; E29-N55 PolarHBondContact OE1-ND2 3.25Å; E29-N55 PolarHBondContact OE2-ND2 3.3Å
30	S	93.3	Very high	95.2	Very high	60 Å²	60	19.6 Å²	19.6	42%	0.42	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.5	177	83.2	0	0	0	0	114.4	V26 A27 L28 K417	V26-S30 WeakPolarHBondContact O-CB 3.48Å; V26-S30 PolarHBondContact O-N 3.44Å; V26-S30 PolarHBondContact O-OG 3.01Å; A27-S30 PolarHBondContact O-N 3.07Å; A27-S30 PolarHBondContact O-OG 2.82Å; L28-S30 PolarHBondContact O-N 3.44Å; S30-K417 PolarHBondContact O-NZ 3.35Å; S30-K417 WeakPolarHBondContact OG-CD 3.34Å; S30-K417 WeakPolarHBondContact OG-CE 3.16Å; S30-K417 PolarHBondContact OG-NZ 3.5Å
31	C	94.6	Very high	95.4	Very high	30 Å²	30	21.4 Å²	21.4	20%	0.203	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.5	169.5	-76.3	0	0	0	0	112.6	A27 L28 E29 Y33 K417 Q421	A27-C31 PolarHBondContact O-N 3.31Å; L28-C31 WeakPolarHBondContact O-CA 3.32Å; L28-C31 VanDerWaalsContact O-CB 3.28Å; L28-C31 WeakPolarHBondContact O-CB 3.39Å; L28-C31 PolarHBondContact O-N 3.24Å; E29-C31 PolarHBondContact O-N 3.35Å; E29-C31 VanDerWaalsContact O-N 3.1Å; C31-Y33 HydrophobicContact CB-CD2 3.64Å; C31-Y33 HydrophobicContact CB-CE2 3.65Å; C31-K417 WeakPolarHBondContact SG-CE 3.18Å; C31-K417 VanDerWaalsContact SG-CG 3.51Å; C31-Q421 PolarHBondContact SG-OE1 3Å
32	G	94.5	Very high	95.4	Very high	54 Å²	54	22.8 Å²	22.8	56%	0.557	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	15	-177.9	0	0	0	0	0	114.8	P2 L28 E29	P2-G32 WeakPolarHBondContact CB-O 3.47Å; L28-G32 PolarHBondContact O-N 2.91Å; E29-G32 PolarHBondContact O-N 3.48Å
33	Y	95.5	Very high	95.3	Very high	29 Å²	29	25.7 Å²	25.7	11%	0.114	16%	0.155	C	C	.	.			trans	-78.5	150	169.6	-63.8	-80.3	0	0	0	110.6	K3 I5 L28 C31 Q421 V424 T425 I428	K3-Y33 HydrophobicContact CB-CD1 3.75Å; K3-Y33 HydrophobicContact CB-CE1 3.97Å; I5-Y33 HydrophobicContact CD1-CD1 3.57Å; I5-Y33 HydrophobicContact CD1-CD2 4.02Å; I5-Y33 HydrophobicContact CD1-CE1 4.15Å; I5-Y33 HydrophobicContact CD1-CG 3.52Å; I5-Y33 HydrophobicContact CG1-CD1 4.13Å; I5-Y33 HydrophobicContact CG1-CG 4.31Å; L28-Y33 HydrophobicContact CB-CD2 4.06Å; L28-Y33 HydrophobicContact CD2-CD2 3.69Å; L28-Y33 HydrophobicContact CD2-CE2 3.73Å; L28-Y33 VanDerWaalsContact O-CD2 3.28Å; L28-Y33 WeakPolarHBondContact O-CD2 3.48Å; L28-Y33 PolarHBondContact O-N 3.41Å; C31-Y33 HydrophobicContact CB-CD2 3.64Å; C31-Y33 HydrophobicContact CB-CE2 3.65Å; Y33-Q421 HydrophobicContact CE2-CG 4.16Å; Y33-V424 HydrophobicContact CE1-CG1 4Å; Y33-T425 PolarHBondContact OH-OG1 3.34Å; Y33-I428 HydrophobicContact CE1-CD1 4.38Å
34	D	95.6	Very high	95.1	Very high	79 Å²	79	29 Å²	29	42%	0.422	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110.1	168.8	179.4	19.4	0	0	0	108.4	P2 K3 Q4 I5	P2-D34 HydrophobicContact CB-CB 4.21Å; P2-D34 HydrophobicContact CG-CB 4.11Å; K3-D34 PolarHBondContact O-N 2.9Å; Q4-D34 CarbonylContact C-O 3.53Å; Q4-D34 WeakPolarHBondContact CA-O 3.49Å; I5-D34 PolarHBondContact N-O 3.46Å
35	V	96.4	Very high	94.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.2	-168.4	-173.7	0	0	0	0	111.4	I5 F7 A25 L28 E29 L56	I5-V35 WeakPolarHBondContact O-CA 3.2Å; F7-V35 HydrophobicContact CD2-CG1 3.9Å; F7-V35 HydrophobicContact CE2-CG1 3.74Å; A25-V35 HydrophobicContact CB-CG1 3.84Å; L28-V35 HydrophobicContact CB-CG2 3.94Å; E29-V35 HydrophobicContact CB-CB 4.38Å; E29-V35 HydrophobicContact CB-CG2 4.08Å; V35-L56 HydrophobicContact CB-CD1 4.25Å; V35-L56 HydrophobicContact CG1-CD1 3.81Å
36	S	96.2	Very high	94.4	Very high	12 Å²	12	43.3 Å²	43.3	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.2	173.8	58.3	0	0	0	0	111.6	I5 V6 F7 S57	I5-S36 PolarHBondContact O-N 3.08Å; V6-S36 WeakPolarHBondContact CA-O 3.39Å; V6-S36 WeakPolarHBondContact CG2-OG 3.48Å; F7-S36 PolarHBondContact N-O 2.91Å; S36-S57 WeakPolarHBondContact CA-O 3.44Å; S36-S57 WeakPolarHBondContact CB-OG 3.43Å
37	I	97.1	Very high	94.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.2	175.5	-55.2	-177.2	0	0	0	108.4	F7 L12 I21 A25 L56 S57 V58 T59	F7-I37 HydrophobicContact CB-CG1 4.17Å; F7-I37 HydrophobicContact CB-CG2 4.41Å; F7-I37 WeakPolarHBondContact O-CA 3.3Å; L12-I37 HydrophobicContact CD2-CG2 4.32Å; I21-I37 HydrophobicContact CG2-CD1 4.5Å; A25-I37 HydrophobicContact CB-CD1 4.08Å; A25-I37 HydrophobicContact CB-CG1 4.41Å; I37-L56 HydrophobicContact CD1-CD1 4.19Å; I37-L56 HydrophobicContact CD1-CD2 3.82Å; I37-L56 HydrophobicContact CD1-CG 4.18Å; I37-L56 HydrophobicContact CG1-CD1 4.07Å; I37-L56 HydrophobicContact CG1-CG 4.42Å; I37-S57 PolarHBondContact N-O 3.07Å; I37-V58 HydrophobicContact CB-CG2 4.41Å; I37-V58 CarbonylContact O-C 3.55Å; I37-V58 WeakPolarHBondContact O-CA 3.32Å; I37-T59 PolarHBondContact O-N 2.81Å
38	I	97.6	Very high	93.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.3	168.5	-60.3	175.1	0	0	0	107.1	V6 F7 L8 H9 T59 V61 A85 Y88 L89 E93	V6-I38 HydrophobicContact CG1-CD1 3.79Å; V6-I38 HydrophobicContact CG1-CG1 4.07Å; F7-I38 PolarHBondContact O-N 3.04Å; L8-I38 HydrophobicContact CD2-CB 3.88Å; L8-I38 HydrophobicContact CD2-CG2 3.89Å; H9-I38 PolarHBondContact N-O 3.34Å; H9-I38 VanDerWaalsContact N-O 3.1Å; I38-T59 WeakPolarHBondContact CA-O 3.4Å; I38-V61 HydrophobicContact CG2-CB 4.37Å; I38-V61 HydrophobicContact CG2-CG2 3.79Å; I38-A85 HydrophobicContact CG2-CB 3.95Å; I38-Y88 HydrophobicContact CD1-CD1 4.25Å; I38-Y88 HydrophobicContact CD1-CE1 4.42Å; I38-L89 HydrophobicContact CD1-CB 3.84Å; I38-L89 HydrophobicContact CD1-CD1 3.95Å; I38-L89 HydrophobicContact CD1-CG 4.33Å; I38-E93 HydrophobicContact CD1-CG 4.27Å
39	T	97.1	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.3	-178.6	-172.2	0	0	0	0	112.5	H9 P10 L12 H41 H42 V58 T59 V60 V61	H9-T39 WeakPolarHBondContact O-CA 3.47Å; H9-T39 WeakPolarHBondContact O-CB 3.37Å; H9-T39 PolarHBondContact O-OG1 3.04Å; P10-T39 PolarHBondContact O-OG1 3.49Å; L12-T39 HydrophobicContact CB-CG2 3.93Å; L12-T39 PolarHBondContact N-OG1 3.35Å; T39-H41 WeakPolarHBondContact CG2-O 3.4Å; T39-H41 PolarHBondContact OG1-O 2.99Å; T39-H42 HydrophobicContact CG2-CB 4.07Å; T39-V58 HydrophobicContact CG2-CG1 3.91Å; T39-T59 PolarHBondContact N-O 3Å; T39-V60 HydrophobicContact CG2-CG2 4.29Å; T39-V60 CarbonylContact O-C 3.47Å; T39-V60 WeakPolarHBondContact O-CA 3.27Å; T39-V61 PolarHBondContact O-N 3.42Å
40	N	96.6	Very high	93.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.011	26%	0.256	C	S	.	.	S	Bend	trans	-82.2	-22.6	178	-66.7	125.6	0	0	0	114.3	D11 V61 D63 R81 L82	D11-N40 WeakPolarHBondContact OD1-CB 3.37Å; N40-V61 VanDerWaalsContact CA-O 3.28Å; N40-V61 WeakPolarHBondContact CA-O 3.33Å; N40-V61 PolarHBondContact ND2-O 3.06Å; N40-D63 VanDerWaalsContact O-CA 3.23Å; N40-D63 WeakPolarHBondContact O-CA 3.18Å; N40-D63 VanDerWaalsContact O-CB 3.24Å; N40-D63 WeakPolarHBondContact O-CB 3.19Å; N40-R81 HydrophobicContact CB-CB 4.26Å; N40-R81 PolarHBondContact ND2-O 3.04Å; N40-R81 PolarHBondContact O-NH2 3.45Å; N40-L82 WeakPolarHBondContact OD1-CA 3.49Å; N40-L82 PolarHBondContact OD1-N 2.79Å
41	H	95.2	Very high	93	Very high	46 Å²	46	45 Å²	45	21%	0.213	24%	0.238	C	C	.	.			trans	-155.3	143.1	179.2	-177.3	75.6	0	0	0	109.5	D11 L12 T39 D63 R67	D11-H41 CarbonylContact C-O 3.58Å; D11-H41 HydrophobicContact CB-CB 3.89Å; D11-H41 VanDerWaalsContact OD1-CB 3.27Å; D11-H41 WeakPolarHBondContact OD1-CB 3.34Å; L12-H41 PolarHBondContact N-O 3.28Å; T39-H41 WeakPolarHBondContact CG2-O 3.4Å; T39-H41 PolarHBondContact OG1-O 2.99Å; H41-D63 IonicContact CE1-OD2 2.74Å; H41-D63 IonicContact CG-OD1 2.75Å; H41-D63 VanDerWaalsContact ND1-CG 3.32Å; H41-D63 IonicContact ND1-OD1 2.79Å; H41-D63 PolarHBondContact ND1-OD1 3.3Å; H41-D63 IonicContact ND1-OD2 3.72Å; H41-D63 PolarHBondContact ND1-OD2 3.27Å; H41-R67 PolarHBondContact CD2-NH2 3.29Å; H41-R67 VanDerWaalsContact CG-NH2 3.25Å; H41-R67 PolarHBondContact NE2-NH2 2.96Å; H41-R67 VanDerWaalsContact NE2-NH2 3.19Å
42	H	94.1	Very high	92.7	Very high	29 Å²	29	48.3 Å²	48.3	13%	0.134	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-149.7	120.4	172.6	178.8	-122.7	0	0	0	107.6	T39 C47 T51 V58 V60	T39-H42 HydrophobicContact CG2-CB 4.07Å; H42-C47 WeakPolarHBondContact NE2-CB 3.42Å; H42-T51 PolarHBondContact NE2-OG1 3.45Å; H42-V58 HydrophobicContact CB-CG1 4.22Å; H42-V60 HydrophobicContact CB-CG2 3.65Å
43	D	92.1	Very high	92.1	Very high	62 Å²	62	50 Å²	50	33%	0.332	25%	0.247	S	C	.	.			trans	-104.1	110.4	174.6	179.8	-0.9	0	0	0	108.7	K45 H46 C47	D43-K45 PolarHBondContact O-N 3.34Å; D43-K45 WeakPolarHBondContact OD1-CB 3.46Å; D43-K45 PolarHBondContact OD1-N 2.98Å; D43-H46 HydrophobicContact CB-CB 4.26Å; D43-H46 CarbonylContact O-C 3.5Å; D43-H46 WeakPolarHBondContact O-CA 3.42Å; D43-H46 PolarHBondContact O-N 3.35Å; D43-C47 WeakPolarHBondContact O-CB 3.43Å; D43-C47 PolarHBondContact O-N 3.44Å
44	P	90.4	Very high	90.7	Very high	83 Å²	83	54.9 Å²	54.9	54%	0.539	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.5	178.2	-26.8	35.9	0	0	0	114.8	L52	P44-L52 HydrophobicContact CB-CD2 3.93Å
45	K	89.3	Confident	90.1	Very high	196 Å²	196	54.2 Å²	54.2	85%	0.852	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.2	175.1	-60.1	-179.7	-178.5	176.7	0	112.9	D43	D43-K45 PolarHBondContact O-N 3.34Å; D43-K45 WeakPolarHBondContact OD1-CB 3.46Å; D43-K45 PolarHBondContact OD1-N 2.98Å
46	H	87.4	Confident	89.7	Confident	106 Å²	106	54.5 Å²	54.5	49%	0.491	28%	0.283	S	S	.	.	S	Bend	trans	-141.9	55.5	-176.4	-163.6	68.2	0	0	0	111.5	I14 D43	I14-H46 VanDerWaalsContact CD1-CE1 3.46Å; I14-H46 WeakPolarHBondContact CD1-CE1 3.5Å; D43-H46 HydrophobicContact CB-CB 4.26Å; D43-H46 CarbonylContact O-C 3.5Å; D43-H46 WeakPolarHBondContact O-CA 3.42Å; D43-H46 PolarHBondContact O-N 3.35Å
47	C	89	Confident	89.5	Confident	18 Å²	18	56.7 Å²	56.7	12%	0.122	30%	0.299	C	S	.	.	S	Bend	trans	-136.7	173.5	178.7	67.5	0	0	0	0	111.3	H42 D43 T51	H42-C47 WeakPolarHBondContact NE2-CB 3.42Å; D43-C47 WeakPolarHBondContact O-CB 3.43Å; D43-C47 PolarHBondContact O-N 3.44Å; C47-T51 PolarHBondContact SG-OG1 3.07Å
48	F	86.6	Confident	89.4	Confident	30 Å²	30	58.5 Å²	58.5	13%	0.132	31%	0.31	C	S	.	.			trans	-72.5	137.9	168.9	-67.6	-68.4	0	0	0	110.6	I14 E18 R19 V22 E50 T51	I14-F48 HydrophobicContact CG2-CE1 4.37Å; I14-F48 HydrophobicContact CG2-CZ 4.14Å; E18-F48 HydrophobicContact CB-CE2 3.76Å; R19-F48 HydrophobicContact CB-CE1 4.35Å; R19-F48 HydrophobicContact CB-CE2 4.03Å; R19-F48 HydrophobicContact CB-CZ 3.67Å; R19-F48 HydrophobicContact CG-CZ 4.36Å; V22-F48 HydrophobicContact CB-CD2 4.47Å; V22-F48 HydrophobicContact CG1-CB 4.27Å; V22-F48 HydrophobicContact CG2-CB 4.41Å; V22-F48 HydrophobicContact CG2-CD2 3.92Å; F48-E50 PolarHBondContact O-N 2.93Å; F48-T51 HydrophobicContact CB-CG2 4.29Å; F48-T51 WeakPolarHBondContact O-CB 3.23Å; F48-T51 PolarHBondContact O-N 3.23Å; F48-T51 PolarHBondContact O-OG1 3.4Å
49	E	88	Confident	89.3	Confident	137 Å²	137	60.3 Å²	60.3	64%	0.64	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-57.7	-33.2	-178.4	-66.9	178.7	173	0	0	112.4	T51 L52	E49-T51 PolarHBondContact O-N 3.25Å; E49-L52 WeakPolarHBondContact O-CB 3.48Å; E49-L52 PolarHBondContact O-N 3.06Å
50	E	89.4	Confident	89.3	Confident	20 Å²	20	63.3 Å²	63.3	9%	0.093	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28.5	177.2	-61.4	93.6	149.9	0	0	112.3	R19 V22 V26 F48 L52 Q53	R19-E50 IonicContact CZ-OE1 2.69Å; R19-E50 IonicContact NH1-OE1 3.69Å; R19-E50 PolarHBondContact NH1-OE1 2.91Å; R19-E50 IonicContact NH1-OE2 2.65Å; R19-E50 IonicContact NH2-OE1 3.49Å; R19-E50 PolarHBondContact NH2-OE1 2.74Å; V22-E50 HydrophobicContact CG1-CB 3.68Å; V22-E50 HydrophobicContact CG1-CG 4.31Å; V26-E50 HydrophobicContact CG2-CB 3.98Å; V26-E50 HydrophobicContact CG2-CG 4.27Å; F48-E50 PolarHBondContact O-N 2.93Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.21Å; E50-Q53 PolarHBondContact O-N 3.39Å
51	T	90	Very high	89.4	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.043	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-79.5	-7.2	178.1	67.4	0	0	0	0	113.8	L12 V22 H42 C47 F48 E49	L12-T51 HydrophobicContact CD2-CG2 3.82Å; V22-T51 HydrophobicContact CG1-CG2 4.32Å; V22-T51 HydrophobicContact CG2-CG2 3.56Å; H42-T51 PolarHBondContact NE2-OG1 3.45Å; C47-T51 PolarHBondContact SG-OG1 3.07Å; F48-T51 HydrophobicContact CB-CG2 4.29Å; F48-T51 WeakPolarHBondContact O-CB 3.23Å; F48-T51 PolarHBondContact O-N 3.23Å; F48-T51 PolarHBondContact O-OG1 3.4Å; E49-T51 PolarHBondContact O-N 3.25Å
52	L	89	Confident	89.4	Confident	99 Å²	99	62.3 Å²	62.3	52%	0.518	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-97.6	-5.8	174.9	-57.9	176.7	0	0	0	112.1	P44 E49 E50	P44-L52 HydrophobicContact CB-CD2 3.93Å; E49-L52 WeakPolarHBondContact O-CB 3.48Å; E49-L52 PolarHBondContact O-N 3.06Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.21Å
53	Q	81.7	Confident	89.4	Confident	89 Å²	89	64.2 Å²	64.2	42%	0.416	35%	0.348	S	S	.	.	S	Bend	trans	-78.8	146	-178.4	-60.7	-174.4	-19.3	0	0	111.1	E50 N55 L56	E50-Q53 PolarHBondContact O-N 3.39Å; Q53-N55 WeakPolarHBondContact CB-OD1 3.08Å; Q53-N55 PolarHBondContact O-N 3.24Å; Q53-L56 PolarHBondContact O-N 3.1Å
54	S	66.9	Low	89.5	Confident	133 Å²	133	70.8 Å²	70.8	93%	0.93	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.1	-172.3	57.6	0	0	0	0	115
55	N	82.4	Confident	89.8	Confident	65 Å²	65	68.7 Å²	68.7	35%	0.348	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-14	-178.6	60.3	-30.3	0	0	0	113.5	E29 Q53	E29-N55 HydrophobicContact CG-CB 4.36Å; E29-N55 WeakPolarHBondContact OE1-CB 3.27Å; E29-N55 PolarHBondContact OE1-ND2 3.25Å; E29-N55 PolarHBondContact OE2-ND2 3.3Å; Q53-N55 WeakPolarHBondContact CB-OD1 3.08Å; Q53-N55 PolarHBondContact O-N 3.24Å
56	L	87	Confident	89.9	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.037	33%	0.33	C	S	.	.	S	Bend	trans	-116.4	103.5	176.8	-175.2	63.3	0	0	0	109.6	A25 V35 I37 Q53	A25-L56 HydrophobicContact CB-CD1 3.77Å; A25-L56 HydrophobicContact CB-CD2 4.18Å; V35-L56 HydrophobicContact CB-CD1 4.25Å; V35-L56 HydrophobicContact CG1-CD1 3.81Å; I37-L56 HydrophobicContact CD1-CD1 4.19Å; I37-L56 HydrophobicContact CD1-CD2 3.82Å; I37-L56 HydrophobicContact CD1-CG 4.18Å; I37-L56 HydrophobicContact CG1-CD1 4.07Å; I37-L56 HydrophobicContact CG1-CG 4.42Å; Q53-L56 PolarHBondContact O-N 3.1Å
57	S	92.2	Very high	90.1	Very high	59 Å²	59	63.4 Å²	63.4	41%	0.413	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.5	178.9	59.1	0	0	0	0	111.1	S36 I37	S36-S57 WeakPolarHBondContact CA-O 3.44Å; S36-S57 WeakPolarHBondContact CB-OG 3.43Å; I37-S57 PolarHBondContact N-O 3.07Å
58	V	95.3	Very high	90.2	Very high	37 Å²	37	64.7 Å²	64.7	22%	0.224	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.9	175.5	-176.1	0	0	0	0	109.1	L12 I37 T39 H42	L12-V58 HydrophobicContact CD2-CG1 4.16Å; L12-V58 HydrophobicContact CD2-CG2 4.49Å; I37-V58 HydrophobicContact CB-CG2 4.41Å; I37-V58 CarbonylContact O-C 3.55Å; I37-V58 WeakPolarHBondContact O-CA 3.32Å; T39-V58 HydrophobicContact CG2-CG1 3.91Å; H42-V58 HydrophobicContact CB-CG1 4.22Å
59	T	96.1	Very high	90.4	Very high	41 Å²	41	66.4 Å²	66.4	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.4	178.8	-57.9	0	0	0	0	109.6	I37 I38 T39 V61 Y88	I37-T59 PolarHBondContact O-N 2.81Å; I38-T59 WeakPolarHBondContact CA-O 3.4Å; T39-T59 PolarHBondContact N-O 3Å; T59-V61 HydrophobicContact CG2-CG2 3.99Å; T59-Y88 HydrophobicContact CG2-CE1 3.92Å
60	V	97	Very high	90.4	Very high	64 Å²	64	69.3 Å²	69.3	39%	0.388	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.1	177.8	-179.3	0	0	0	0	110	T39 H42 D63	T39-V60 HydrophobicContact CG2-CG2 4.29Å; T39-V60 CarbonylContact O-C 3.47Å; T39-V60 WeakPolarHBondContact O-CA 3.27Å; H42-V60 HydrophobicContact CB-CG2 3.65Å; V60-D63 HydrophobicContact CG1-CB 3.77Å
61	V	97.5	Very high	90	Very high	18 Å²	18	71 Å²	71	11%	0.109	38%	0.382	C	S	.	.			trans	-127.9	135	-177.4	-176.2	0	0	0	0	111.2	I38 T39 N40 T59 D63 A85 Y88	I38-V61 HydrophobicContact CG2-CB 4.37Å; I38-V61 HydrophobicContact CG2-CG2 3.79Å; T39-V61 PolarHBondContact O-N 3.42Å; N40-V61 VanDerWaalsContact CA-O 3.28Å; N40-V61 WeakPolarHBondContact CA-O 3.33Å; N40-V61 PolarHBondContact ND2-O 3.06Å; T59-V61 HydrophobicContact CG2-CG2 3.99Å; V61-D63 VanDerWaalsContact C-N 3.26Å; V61-D63 PolarHBondContact O-N 2.97Å; V61-A85 HydrophobicContact CB-CB 4.13Å; V61-A85 HydrophobicContact CG1-CB 4.3Å; V61-Y88 HydrophobicContact CG1-CD2 4.47Å; V61-Y88 HydrophobicContact CG1-CG 4.06Å; V61-Y88 HydrophobicContact CG2-CD1 3.64Å; V61-Y88 HydrophobicContact CG2-CD2 4.24Å; V61-Y88 HydrophobicContact CG2-CE1 4.08Å; V61-Y88 HydrophobicContact CG2-CG 3.75Å
62	A	95.9	Very high	89.8	Confident	8 Å²	8	79 Å²	79	7%	0.066	41%	0.413	C	S	.	.	S	Bend	trans	62	26.6	176.6	0	0	0	0	0	115	W64 F65 R81 L84	A62-W64 PolarHBondContact O-N 3.48Å; A62-F65 WeakPolarHBondContact O-CB 3.41Å; A62-F65 PolarHBondContact O-N 3.48Å; A62-R81 PolarHBondContact O-NH1 3.17Å; A62-L84 HydrophobicContact CB-CB 3.76Å; A62-L84 HydrophobicContact CB-CD1 3.86Å; A62-L84 HydrophobicContact CB-CG 4.48Å
63	D	94.4	Very high	89.6	Confident	69 Å²	69	77.9 Å²	77.9	37%	0.369	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.8	176.9	-161.2	22.2	0	0	0	112.6	N40 H41 V60 V61 F65 R81	N40-D63 VanDerWaalsContact O-CA 3.23Å; N40-D63 WeakPolarHBondContact O-CA 3.18Å; N40-D63 VanDerWaalsContact O-CB 3.24Å; N40-D63 WeakPolarHBondContact O-CB 3.19Å; H41-D63 IonicContact CE1-OD2 2.74Å; H41-D63 IonicContact CG-OD1 2.75Å; H41-D63 VanDerWaalsContact ND1-CG 3.32Å; H41-D63 IonicContact ND1-OD1 2.79Å; H41-D63 PolarHBondContact ND1-OD1 3.3Å; H41-D63 IonicContact ND1-OD2 3.72Å; H41-D63 PolarHBondContact ND1-OD2 3.27Å; V60-D63 HydrophobicContact CG1-CB 3.77Å; V61-D63 VanDerWaalsContact C-N 3.26Å; V61-D63 PolarHBondContact O-N 2.97Å; D63-F65 PolarHBondContact O-N 3.05Å; D63-R81 PolarHBondContact O-NH1 3.02Å; D63-R81 IonicContact OD1-CZ 2.99Å; D63-R81 IonicContact OD1-NH1 3.14Å; D63-R81 IonicContact OD1-NH2 3.96Å; D63-R81 PolarHBondContact OD1-NH2 3.01Å; D63-R81 VanDerWaalsContact OD1-NH2 3.14Å
64	W	94.9	Very high	89.9	Confident	200 Å²	200	77.6 Å²	77.6	76%	0.758	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.9	175.1	58.7	-99.9	0	0	0	114.3	A62 L84	A62-W64 PolarHBondContact O-N 3.48Å; W64-L84 HydrophobicContact CH2-CD1 4.26Å; W64-L84 HydrophobicContact CZ2-CD1 4.29Å
65	F	95.3	Very high	90.8	Very high	39 Å²	39	72.5 Å²	72.5	17%	0.171	38%	0.376	C	S	.	.	S	Bend	trans	-78.7	133.5	-179.2	-169.3	-81.7	0	0	0	110.3	A62 D63 C77 I80 R81 L84	A62-F65 WeakPolarHBondContact O-CB 3.41Å; A62-F65 PolarHBondContact O-N 3.48Å; D63-F65 PolarHBondContact O-N 3.05Å; F65-C77 HydrophobicContact CE1-CB 4.23Å; F65-I80 HydrophobicContact CD1-CG2 4.43Å; F65-I80 HydrophobicContact CD2-CG2 4.26Å; F65-I80 HydrophobicContact CE1-CB 4.16Å; F65-I80 HydrophobicContact CE1-CD1 4.44Å; F65-I80 HydrophobicContact CE1-CG2 3.97Å; F65-I80 HydrophobicContact CE2-CG2 3.77Å; F65-I80 HydrophobicContact CZ-CB 4.16Å; F65-I80 HydrophobicContact CZ-CD1 3.99Å; F65-I80 HydrophobicContact CZ-CG2 3.62Å; F65-R81 HydrophobicContact CB-CG 3.94Å; F65-R81 HydrophobicContact CD1-CG 3.71Å; F65-R81 HydrophobicContact CG-CG 4.16Å; F65-R81 PolarHBondContact O-NH1 3.23Å; F65-L84 HydrophobicContact CD2-CD1 4.18Å; F65-L84 HydrophobicContact CG-CD1 4.46Å
66	P	92.7	Very high	91.2	Very high	63 Å²	63	72.3 Å²	72.3	41%	0.409	38%	0.375	S	S	.	.			trans	-62.3	144.5	-172.4	25.2	-35.7	0	0	0	113.6	S68 C77	P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 3.03Å; P66-C77 WeakPolarHBondContact O-CB 3.49Å
67	R	90.7	Very high	91.5	Very high	128 Å²	128	72 Å²	72	48%	0.483	37%	0.373	S	S	.	.	S	Bend	trans	-71.4	-20.9	172.2	-64.8	-172.1	-174.6	174.3	5.9	113.4	D11 H41 C77	D11-R67 IonicContact OD2-CZ 3.77Å; D11-R67 IonicContact OD2-NE 2.99Å; D11-R67 PolarHBondContact OD2-NE 2.93Å; D11-R67 VanDerWaalsContact OD2-NE 3.12Å; D11-R67 IonicContact OD2-NH2 3.6Å; H41-R67 PolarHBondContact CD2-NH2 3.29Å; H41-R67 VanDerWaalsContact CG-NH2 3.25Å; H41-R67 PolarHBondContact NE2-NH2 2.96Å; H41-R67 VanDerWaalsContact NE2-NH2 3.19Å; R67-C77 WeakPolarHBondContact O-CB 3.47Å
68	S	91.4	Very high	91.5	Very high	45 Å²	45	70.6 Å²	70.6	32%	0.315	37%	0.366	S	S	.	.	S	Bend	trans	-156.8	153	176.2	68.3	0	0	0	0	109.9	P66 G71 Y72	P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 3.03Å; S68-G71 WeakPolarHBondContact OG-CA 3.39Å; S68-G71 PolarHBondContact OG-N 2.99Å; S68-Y72 WeakPolarHBondContact CA-O 3.3Å; S68-Y72 WeakPolarHBondContact CB-O 3.44Å
69	I	90.2	Very high	91.4	Very high	67 Å²	67	69.5 Å²	69.5	34%	0.344	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-102.4	110.9	174.6	-57.3	173.7	0	0	0	106.7	G71 Y72 M73	I69-G71 PolarHBondContact O-N 3.12Å; I69-Y72 PolarHBondContact N-O 3.19Å; I69-Y72 PolarHBondContact O-N 3.33Å; I69-M73 HydrophobicContact CD1-SD 4.29Å
70	F	87.9	Confident	91.3	Very high	197 Å²	197	70.3 Å²	70.3	86%	0.864	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	32.2	-174.3	-54.1	-69.8	0	0	0	114.5	Y72	F70-Y72 VanDerWaalsContact C-N 3.29Å; F70-Y72 HydrophobicContact CB-CD2 4.39Å; F70-Y72 VanDerWaalsContact O-CD2 3.23Å; F70-Y72 WeakPolarHBondContact O-CD2 3.24Å; F70-Y72 PolarHBondContact O-N 3.04Å
71	G	82.1	Confident	91.3	Very high	55 Å²	55	67.5 Å²	67.5	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	1.2	-176.4	0	0	0	0	0	114.9	S68 I69	S68-G71 WeakPolarHBondContact OG-CA 3.39Å; S68-G71 PolarHBondContact OG-N 2.99Å; I69-G71 PolarHBondContact O-N 3.12Å
72	Y	84.9	Confident	91.3	Very high	175 Å²	175	66.6 Å²	66.6	69%	0.686	34%	0.337	S	S	*	.	B	Isolated β-bridge	trans	-109.7	174.3	176.9	-59.9	-83.1	0	0	0	112	S68 I69 F70 T74	S68-Y72 WeakPolarHBondContact CA-O 3.3Å; S68-Y72 WeakPolarHBondContact CB-O 3.44Å; I69-Y72 PolarHBondContact N-O 3.19Å; I69-Y72 PolarHBondContact O-N 3.33Å; F70-Y72 VanDerWaalsContact C-N 3.29Å; F70-Y72 HydrophobicContact CB-CD2 4.39Å; F70-Y72 VanDerWaalsContact O-CD2 3.23Å; F70-Y72 WeakPolarHBondContact O-CD2 3.24Å; F70-Y72 PolarHBondContact O-N 3.04Å; Y72-T74 PolarHBondContact O-N 2.76Å
73	M	86	Confident	91.3	Very high	76 Å²	76	68.9 Å²	68.9	37%	0.374	35%	0.347	S	S	.	.			trans	59.9	28.4	171.1	-51.7	178.7	81.9	0	0	114.8	I69 A75 L76 C77 Y141	I69-M73 HydrophobicContact CD1-SD 4.29Å; M73-A75 VanDerWaalsContact C-N 3.29Å; M73-A75 PolarHBondContact O-N 2.94Å; M73-L76 HydrophobicContact CB-CB 4.32Å; M73-L76 HydrophobicContact CE-CD2 3.24Å; M73-L76 HydrophobicContact CE-CG 4.5Å; M73-L76 PolarHBondContact O-N 2.69Å; M73-L76 VanDerWaalsContact O-N 3.11Å; M73-C77 PolarHBondContact O-N 3.35Å; M73-C77 PolarHBondContact O-SG 2.98Å; M73-Y141 WeakPolarHBondContact CA-OH 3.41Å; M73-Y141 HydrophobicContact CG-CE2 4.43Å
74	T	87.3	Confident	91.5	Very high	84 Å²	84	68.1 Å²	68.1	52%	0.515	34%	0.343	S	S	.	.	H	α-helix	trans	-53.2	-45.2	-178	-47.6	0	0	0	0	112.5	Y72 C77 A78	Y72-T74 PolarHBondContact O-N 2.76Å; T74-C77 PolarHBondContact O-N 2.72Å; T74-A78 WeakPolarHBondContact O-CB 3.33Å; T74-A78 PolarHBondContact O-N 2.94Å
75	A	86.4	Confident	91.6	Very high	26 Å²	26	58.6 Å²	58.6	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-44.3	178.7	0	0	0	0	0	112	M73 C77 A78 Y79 I145	M73-A75 VanDerWaalsContact C-N 3.29Å; M73-A75 PolarHBondContact O-N 2.94Å; A75-C77 VanDerWaalsContact C-N 3.33Å; A75-C77 PolarHBondContact O-N 3.39Å; A75-A78 PolarHBondContact O-N 3.38Å; A75-Y79 WeakPolarHBondContact O-CD2 3.38Å; A75-Y79 PolarHBondContact O-N 2.71Å; A75-I145 HydrophobicContact CB-CD1 4Å
76	L	89.3	Confident	91.8	Very high	60 Å²	60	56.7 Å²	56.7	31%	0.314	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-43	176.6	-177.9	67.8	0	0	0	111.5	M73 A78 Y79 I80 Y141	M73-L76 HydrophobicContact CB-CB 4.32Å; M73-L76 HydrophobicContact CE-CD2 3.24Å; M73-L76 HydrophobicContact CE-CG 4.5Å; M73-L76 PolarHBondContact O-N 2.69Å; M73-L76 VanDerWaalsContact O-N 3.11Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.34Å; L76-Y79 WeakPolarHBondContact O-CB 3.3Å; L76-Y79 PolarHBondContact O-N 2.91Å; L76-I80 HydrophobicContact CD1-CD1 4.37Å; L76-I80 HydrophobicContact CD2-CD1 4.38Å; L76-I80 HydrophobicContact CG-CD1 3.94Å; L76-I80 HydrophobicContact CG-CG1 4.47Å; L76-I80 WeakPolarHBondContact O-CG1 3.24Å; L76-I80 PolarHBondContact O-N 3.2Å; L76-Y141 HydrophobicContact CB-CE2 4.38Å; L76-Y141 PolarHBondContact N-OH 2.93Å
77	C	93.2	Very high	92	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-42.2	178.3	-64.4	0	0	0	0	111.6	F65 P66 R67 M73 T74 A75 I80 R81	F65-C77 HydrophobicContact CE1-CB 4.23Å; P66-C77 WeakPolarHBondContact O-CB 3.49Å; R67-C77 WeakPolarHBondContact O-CB 3.47Å; M73-C77 PolarHBondContact O-N 3.35Å; M73-C77 PolarHBondContact O-SG 2.98Å; T74-C77 PolarHBondContact O-N 2.72Å; A75-C77 VanDerWaalsContact C-N 3.33Å; A75-C77 PolarHBondContact O-N 3.39Å; C77-I80 PolarHBondContact O-N 3.23Å; C77-R81 WeakPolarHBondContact O-CB 3.2Å; C77-R81 VanDerWaalsContact O-CG 3.32Å; C77-R81 WeakPolarHBondContact O-CG 3.28Å; C77-R81 PolarHBondContact O-N 2.89Å
78	A	92.5	Very high	92.4	Very high	31 Å²	31	53.8 Å²	53.8	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-41	175.7	0	0	0	0	0	112	T74 A75 L76 R81 L82 I104	T74-A78 WeakPolarHBondContact O-CB 3.33Å; T74-A78 PolarHBondContact O-N 2.94Å; A75-A78 PolarHBondContact O-N 3.38Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.34Å; A78-R81 PolarHBondContact O-N 3.41Å; A78-L82 PolarHBondContact O-N 2.77Å; A78-I104 HydrophobicContact CB-CD1 3.63Å
79	Y	93.5	Very high	92.7	Very high	14 Å²	14	51.6 Å²	51.6	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-47.8	174.5	-86.2	-128.8	0	0	0	111.4	A75 L76 R81 L82 I83 I104 A106 I145 I148	A75-Y79 WeakPolarHBondContact O-CD2 3.38Å; A75-Y79 PolarHBondContact O-N 2.71Å; L76-Y79 WeakPolarHBondContact O-CB 3.3Å; L76-Y79 PolarHBondContact O-N 2.91Å; Y79-R81 PolarHBondContact O-N 3.09Å; Y79-L82 PolarHBondContact O-N 2.89Å; Y79-I83 WeakPolarHBondContact O-CB 3.46Å; Y79-I83 WeakPolarHBondContact O-CD1 3.25Å; Y79-I83 WeakPolarHBondContact O-CG1 3.17Å; Y79-I83 PolarHBondContact O-N 3.31Å; Y79-I104 HydrophobicContact CD1-CG2 4.1Å; Y79-I104 HydrophobicContact CD2-CB 4.49Å; Y79-I104 HydrophobicContact CD2-CD1 3.95Å; Y79-I104 HydrophobicContact CD2-CG1 4.14Å; Y79-I104 HydrophobicContact CD2-CG2 3.55Å; Y79-I104 HydrophobicContact CE1-CG2 4.06Å; Y79-I104 HydrophobicContact CE2-CB 4.29Å; Y79-I104 HydrophobicContact CE2-CD1 4.27Å; Y79-I104 HydrophobicContact CE2-CG1 3.97Å; Y79-I104 HydrophobicContact CE2-CG2 3.51Å; Y79-I104 HydrophobicContact CG-CG2 3.85Å; Y79-A106 HydrophobicContact CD1-CB 3.57Å; Y79-A106 HydrophobicContact CE1-CB 3.67Å; Y79-A106 HydrophobicContact CG-CB 4.47Å; Y79-I145 HydrophobicContact CE1-CG2 4.04Å; Y79-I145 HydrophobicContact CE2-CG2 3.96Å; Y79-I145 WeakPolarHBondContact OH-CG2 3.22Å; Y79-I148 HydrophobicContact CE1-CG2 4.04Å
80	I	95	Very high	93.1	Very high	57 Å²	57	49.9 Å²	49.9	29%	0.292	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-47.1	178.7	-66.9	167.8	0	0	0	110.5	F65 L76 C77 L82 I83 L84	F65-I80 HydrophobicContact CD1-CG2 4.43Å; F65-I80 HydrophobicContact CD2-CG2 4.26Å; F65-I80 HydrophobicContact CE1-CB 4.16Å; F65-I80 HydrophobicContact CE1-CD1 4.44Å; F65-I80 HydrophobicContact CE1-CG2 3.97Å; F65-I80 HydrophobicContact CE2-CG2 3.77Å; F65-I80 HydrophobicContact CZ-CB 4.16Å; F65-I80 HydrophobicContact CZ-CD1 3.99Å; F65-I80 HydrophobicContact CZ-CG2 3.62Å; L76-I80 HydrophobicContact CD1-CD1 4.37Å; L76-I80 HydrophobicContact CD2-CD1 4.38Å; L76-I80 HydrophobicContact CG-CD1 3.94Å; L76-I80 HydrophobicContact CG-CG1 4.47Å; L76-I80 WeakPolarHBondContact O-CG1 3.24Å; L76-I80 PolarHBondContact O-N 3.2Å; C77-I80 PolarHBondContact O-N 3.23Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 3.04Å; I80-I83 PolarHBondContact O-N 2.84Å; I80-L84 HydrophobicContact CG2-CD1 4.08Å; I80-L84 HydrophobicContact CG2-CG 4.38Å; I80-L84 WeakPolarHBondContact O-CG 3.42Å; I80-L84 PolarHBondContact O-N 3.4Å
81	R	96.9	Very high	93.5	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.019	25%	0.25	C	S	.	.	H	α-helix	trans	-54.3	-49.9	177	-79.8	173.1	67.7	89.6	-4.7	111.3	D11 N40 A62 D63 F65 C77 A78 Y79 I83 L84 A85	D11-R81 IonicContact OD1-CZ 3.77Å; D11-R81 IonicContact OD1-NE 2.99Å; D11-R81 IonicContact OD1-NH2 3.61Å; D11-R81 PolarHBondContact OD1-NH2 3.35Å; N40-R81 HydrophobicContact CB-CB 4.26Å; N40-R81 PolarHBondContact ND2-O 3.04Å; N40-R81 PolarHBondContact O-NH2 3.45Å; A62-R81 PolarHBondContact O-NH1 3.17Å; D63-R81 PolarHBondContact O-NH1 3.02Å; D63-R81 IonicContact OD1-CZ 2.99Å; D63-R81 IonicContact OD1-NH1 3.14Å; D63-R81 IonicContact OD1-NH2 3.96Å; D63-R81 PolarHBondContact OD1-NH2 3.01Å; D63-R81 VanDerWaalsContact OD1-NH2 3.14Å; F65-R81 HydrophobicContact CB-CG 3.94Å; F65-R81 HydrophobicContact CD1-CG 3.71Å; F65-R81 HydrophobicContact CG-CG 4.16Å; F65-R81 PolarHBondContact O-NH1 3.23Å; C77-R81 WeakPolarHBondContact O-CB 3.2Å; C77-R81 VanDerWaalsContact O-CG 3.32Å; C77-R81 WeakPolarHBondContact O-CG 3.28Å; C77-R81 PolarHBondContact O-N 2.89Å; A78-R81 PolarHBondContact O-N 3.41Å; Y79-R81 PolarHBondContact O-N 3.09Å; R81-I83 PolarHBondContact O-N 2.9Å; R81-L84 WeakPolarHBondContact O-CB 3.16Å; R81-L84 PolarHBondContact O-N 3.49Å; R81-A85 PolarHBondContact O-N 3.47Å
82	L	96.6	Very high	94.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-32.3	-177.9	-162.9	66	0	0	0	112.4	P10 N40 A78 Y79 I80 A85 T86 I104 P107	P10-L82 HydrophobicContact CG-CD1 4.49Å; P10-L82 HydrophobicContact CG-CD2 4.16Å; N40-L82 WeakPolarHBondContact OD1-CA 3.49Å; N40-L82 PolarHBondContact OD1-N 2.79Å; A78-L82 PolarHBondContact O-N 2.77Å; Y79-L82 PolarHBondContact O-N 2.89Å; I80-L82 VanDerWaalsContact C-N 3.35Å; I80-L82 PolarHBondContact O-N 3.04Å; L82-A85 HydrophobicContact CD1-CB 4.5Å; L82-A85 PolarHBondContact O-N 3.29Å; L82-T86 PolarHBondContact O-N 2.61Å; L82-T86 PolarHBondContact O-OG1 3.39Å; L82-I104 HydrophobicContact CD2-CB 3.72Å; L82-I104 HydrophobicContact CD2-CG2 4.17Å; L82-P107 HydrophobicContact CB-CG 4.29Å; L82-P107 HydrophobicContact CD2-CG 3.52Å; L82-P107 HydrophobicContact CG-CG 3.61Å
83	I	97	Very high	94.7	Very high	56 Å²	56	48.2 Å²	48.2	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-43.9	170.8	-73	166.6	0	0	0	110.5	Y79 I80 R81 A85 T86 L87 L110	Y79-I83 WeakPolarHBondContact O-CB 3.46Å; Y79-I83 WeakPolarHBondContact O-CD1 3.25Å; Y79-I83 WeakPolarHBondContact O-CG1 3.17Å; Y79-I83 PolarHBondContact O-N 3.31Å; I80-I83 PolarHBondContact O-N 2.84Å; R81-I83 PolarHBondContact O-N 2.9Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 2.63Å; I83-T86 WeakPolarHBondContact O-CA 3.48Å; I83-T86 VanDerWaalsContact O-CB 3.3Å; I83-T86 WeakPolarHBondContact O-CB 3.43Å; I83-T86 PolarHBondContact O-N 2.94Å; I83-T86 VanDerWaalsContact O-N 3.08Å; I83-L87 HydrophobicContact CG2-CD1 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 3.4Å; I83-L110 HydrophobicContact CG2-CD1 3.93Å
84	L	97.8	Very high	95.1	Very high	52 Å²	52	51.2 Å²	51.2	27%	0.272	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-40.5	176.2	-68.6	171.1	0	0	0	111.9	A62 W64 F65 I80 R81 T86 L87 Y88	A62-L84 HydrophobicContact CB-CB 3.76Å; A62-L84 HydrophobicContact CB-CD1 3.86Å; A62-L84 HydrophobicContact CB-CG 4.48Å; W64-L84 HydrophobicContact CH2-CD1 4.26Å; W64-L84 HydrophobicContact CZ2-CD1 4.29Å; F65-L84 HydrophobicContact CD2-CD1 4.18Å; F65-L84 HydrophobicContact CG-CD1 4.46Å; I80-L84 HydrophobicContact CG2-CD1 4.08Å; I80-L84 HydrophobicContact CG2-CG 4.38Å; I80-L84 WeakPolarHBondContact O-CG 3.42Å; I80-L84 PolarHBondContact O-N 3.4Å; R81-L84 WeakPolarHBondContact O-CB 3.16Å; R81-L84 PolarHBondContact O-N 3.49Å; L84-T86 VanDerWaalsContact C-N 3.29Å; L84-T86 PolarHBondContact O-N 3.5Å; L84-L87 PolarHBondContact O-N 3.26Å; L84-Y88 PolarHBondContact O-N 3.12Å
85	A	97.8	Very high	95.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-36.1	172.4	0	0	0	0	0	112.7	L8 I38 V61 R81 L82 I83 Y88 L89	L8-A85 HydrophobicContact CD2-CB 4.18Å; I38-A85 HydrophobicContact CG2-CB 3.95Å; V61-A85 HydrophobicContact CB-CB 4.13Å; V61-A85 HydrophobicContact CG1-CB 4.3Å; R81-A85 PolarHBondContact O-N 3.47Å; L82-A85 HydrophobicContact CD1-CB 4.5Å; L82-A85 PolarHBondContact O-N 3.29Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 2.63Å; A85-Y88 WeakPolarHBondContact O-CB 3.5Å; A85-Y88 PolarHBondContact O-N 3.49Å; A85-L89 PolarHBondContact O-N 2.82Å
86	T	98.1	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-41.7	176.1	-52.5	0	0	0	0	111.7	L8 L82 I83 L84 Y88 L89 I90 P107 L110 L111	L8-T86 HydrophobicContact CD1-CG2 4.38Å; L82-T86 PolarHBondContact O-N 2.61Å; L82-T86 PolarHBondContact O-OG1 3.39Å; I83-T86 WeakPolarHBondContact O-CA 3.48Å; I83-T86 VanDerWaalsContact O-CB 3.3Å; I83-T86 WeakPolarHBondContact O-CB 3.43Å; I83-T86 PolarHBondContact O-N 2.94Å; I83-T86 VanDerWaalsContact O-N 3.08Å; L84-T86 VanDerWaalsContact C-N 3.29Å; L84-T86 PolarHBondContact O-N 3.5Å; T86-Y88 VanDerWaalsContact C-N 3.3Å; T86-Y88 PolarHBondContact O-N 3.1Å; T86-L89 WeakPolarHBondContact O-CB 3.16Å; T86-L89 PolarHBondContact O-N 2.84Å; T86-I90 HydrophobicContact CG2-CD1 4.09Å; T86-I90 WeakPolarHBondContact O-CG1 3.4Å; T86-I90 PolarHBondContact O-N 2.91Å; T86-P107 HydrophobicContact CG2-CB 4.08Å; T86-P107 VanDerWaalsContact OG1-CB 3.24Å; T86-P107 WeakPolarHBondContact OG1-CB 3.35Å; T86-P107 WeakPolarHBondContact OG1-CG 3.18Å; T86-L110 HydrophobicContact CG2-CB 4.26Å; T86-L110 HydrophobicContact CG2-CD1 4.47Å; T86-L111 HydrophobicContact CG2-CD1 4.36Å; T86-L111 HydrophobicContact CG2-CD2 3.83Å; T86-L111 HydrophobicContact CG2-CG 3.77Å
87	L	98.1	Very high	96.4	Very high	63 Å²	63	50.7 Å²	50.7	33%	0.33	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-38.6	174.5	-64.7	174.2	0	0	0	111.1	I83 L84 I90 F91 L110	I83-L87 HydrophobicContact CG2-CD1 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 3.4Å; L84-L87 PolarHBondContact O-N 3.26Å; L87-I90 PolarHBondContact O-N 3.01Å; L87-F91 HydrophobicContact CB-CD2 4.34Å; L87-F91 HydrophobicContact CD2-CE2 4.05Å; L87-F91 WeakPolarHBondContact O-CD2 3.35Å; L87-F91 PolarHBondContact O-N 2.92Å; L87-L110 HydrophobicContact CD2-CD1 4.14Å
88	Y	98.2	Very high	96.6	Very high	66 Å²	66	50.7 Å²	50.7	26%	0.259	24%	0.235	S	C	.	.	H	α-helix	trans	-58.1	-49.9	172.9	173.3	-87.7	0	0	0	111.6	I38 T59 V61 L84 A85 T86 I90 F91 Y92 E93	I38-Y88 HydrophobicContact CD1-CD1 4.25Å; I38-Y88 HydrophobicContact CD1-CE1 4.42Å; T59-Y88 HydrophobicContact CG2-CE1 3.92Å; V61-Y88 HydrophobicContact CG1-CD2 4.47Å; V61-Y88 HydrophobicContact CG1-CG 4.06Å; V61-Y88 HydrophobicContact CG2-CD1 3.64Å; V61-Y88 HydrophobicContact CG2-CD2 4.24Å; V61-Y88 HydrophobicContact CG2-CE1 4.08Å; V61-Y88 HydrophobicContact CG2-CG 3.75Å; L84-Y88 PolarHBondContact O-N 3.12Å; A85-Y88 WeakPolarHBondContact O-CB 3.5Å; A85-Y88 PolarHBondContact O-N 3.49Å; T86-Y88 VanDerWaalsContact C-N 3.3Å; T86-Y88 PolarHBondContact O-N 3.1Å; Y88-I90 VanDerWaalsContact C-N 3.31Å; Y88-I90 PolarHBondContact O-N 3.31Å; Y88-F91 PolarHBondContact O-N 2.82Å; Y88-Y92 AromaticContact CD2-CD2 3.91Å; Y88-Y92 HydrophobicContact CD2-CD2 3.91Å; Y88-Y92 HydrophobicContact CD2-CG 4.15Å; Y88-Y92 HydrophobicContact CE2-CD2 4.43Å; Y88-Y92 HydrophobicContact CE2-CG 4.21Å; Y88-Y92 HydrophobicContact CG-CD2 4.49Å; Y88-Y92 WeakPolarHBondContact O-CB 3.35Å; Y88-Y92 PolarHBondContact O-N 3.12Å; Y88-E93 HydrophobicContact CD1-CG 4.15Å; Y88-E93 HydrophobicContact CE1-CG 3.56Å; Y88-E93 WeakPolarHBondContact CE1-OE1 3.36Å; Y88-E93 VanDerWaalsContact CZ-OE1 3.31Å; Y88-E93 PolarHBondContact OH-OE1 2.97Å
89	L	98	Very high	96.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.1	-45.3	175.1	173	59.1	0	0	0	112	V6 L8 I38 A85 T86 F91 E93 P96 T99 L111 Y116	V6-L89 HydrophobicContact CB-CD1 4.44Å; V6-L89 HydrophobicContact CG1-CD1 4.07Å; V6-L89 HydrophobicContact CG1-CD2 4.03Å; V6-L89 HydrophobicContact CG2-CD1 4.1Å; L8-L89 HydrophobicContact CD1-CD2 3.79Å; L8-L89 HydrophobicContact CG-CD2 4.18Å; I38-L89 HydrophobicContact CD1-CB 3.84Å; I38-L89 HydrophobicContact CD1-CD1 3.95Å; I38-L89 HydrophobicContact CD1-CG 4.33Å; A85-L89 PolarHBondContact O-N 2.82Å; T86-L89 WeakPolarHBondContact O-CB 3.16Å; T86-L89 PolarHBondContact O-N 2.84Å; L89-F91 PolarHBondContact O-N 2.82Å; L89-E93 HydrophobicContact CD1-CB 3.81Å; L89-E93 HydrophobicContact CD1-CG 4.34Å; L89-E93 WeakPolarHBondContact O-CB 3.47Å; L89-E93 PolarHBondContact O-N 2.87Å; L89-P96 HydrophobicContact CD1-CG 4.45Å; L89-T99 HydrophobicContact CD2-CG2 3.87Å; L89-L111 HydrophobicContact CD2-CD2 4.07Å; L89-Y116 HydrophobicContact CD2-CE1 4.24Å; L89-Y116 HydrophobicContact CG-CE1 4.12Å
90	I	97.9	Very high	97.1	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-38.8	-176.2	-70.3	168.6	0	0	0	112.5	T86 L87 Y88 L110 L111 V114 Y116	T86-I90 HydrophobicContact CG2-CD1 4.09Å; T86-I90 WeakPolarHBondContact O-CG1 3.4Å; T86-I90 PolarHBondContact O-N 2.91Å; L87-I90 PolarHBondContact O-N 3.01Å; Y88-I90 VanDerWaalsContact C-N 3.31Å; Y88-I90 PolarHBondContact O-N 3.31Å; I90-L110 HydrophobicContact CD1-CB 4.23Å; I90-L111 HydrophobicContact CD1-CD2 4.45Å; I90-L111 HydrophobicContact CG1-CD2 4.36Å; I90-V114 HydrophobicContact CD1-CG2 3.86Å; I90-V114 HydrophobicContact CG1-CG2 4.09Å; I90-V114 HydrophobicContact CG2-CG2 4.42Å; I90-Y116 HydrophobicContact CG1-CE2 4.36Å
91	F	97.4	Very high	97.2	Very high	150 Å²	150	46 Å²	46	66%	0.658	21%	0.207	S	C	*	.	H	α-helix	trans	-101.6	-24.8	-170	-68.8	-63.3	0	0	0	115	L87 Y88 L89	L87-F91 HydrophobicContact CB-CD2 4.34Å; L87-F91 HydrophobicContact CD2-CE2 4.05Å; L87-F91 WeakPolarHBondContact O-CD2 3.35Å; L87-F91 PolarHBondContact O-N 2.92Å; Y88-F91 PolarHBondContact O-N 2.82Å; L89-F91 PolarHBondContact O-N 2.82Å
92	Y	96.5	Very high	97.1	Very high	178 Å²	178	45.8 Å²	45.8	70%	0.698	21%	0.206	S	C	*	.	H	α-helix	trans	-117.9	-20.6	-171.7	-64.7	-85.7	0	0	0	114	Y88	Y88-Y92 AromaticContact CD2-CD2 3.91Å; Y88-Y92 HydrophobicContact CD2-CD2 3.91Å; Y88-Y92 HydrophobicContact CD2-CG 4.15Å; Y88-Y92 HydrophobicContact CE2-CD2 4.43Å; Y88-Y92 HydrophobicContact CE2-CG 4.21Å; Y88-Y92 HydrophobicContact CG-CD2 4.49Å; Y88-Y92 WeakPolarHBondContact O-CB 3.35Å; Y88-Y92 PolarHBondContact O-N 3.12Å
93	E	95.4	Very high	96.7	Very high	64 Å²	64	49.7 Å²	49.7	30%	0.299	22%	0.224	S	C	.	.	S	Bend	trans	-101.7	157.1	178.2	-64.6	-64.3	159.2	0	0	111.1	I38 Y88 L89	I38-E93 HydrophobicContact CD1-CG 4.27Å; Y88-E93 HydrophobicContact CD1-CG 4.15Å; Y88-E93 HydrophobicContact CE1-CG 3.56Å; Y88-E93 WeakPolarHBondContact CE1-OE1 3.36Å; Y88-E93 VanDerWaalsContact CZ-OE1 3.31Å; Y88-E93 PolarHBondContact OH-OE1 2.97Å; L89-E93 HydrophobicContact CD1-CB 3.81Å; L89-E93 HydrophobicContact CD1-CG 4.34Å; L89-E93 WeakPolarHBondContact O-CB 3.47Å; L89-E93 PolarHBondContact O-N 2.87Å
94	K	94	Very high	96.5	Very high	138 Å²	138	47.7 Å²	47.7	60%	0.6	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-67.4	134.5	169	-176.8	-176	173.7	-168.8	0	108.6	Q4 P96	Q4-K94 PolarHBondContact OE1-O 3.23Å; K94-P96 VanDerWaalsContact O-CD 3.3Å; K94-P96 WeakPolarHBondContact O-CD 3.07Å; K94-P96 VanDerWaalsContact O-N 3.11Å
95	K	96.6	Very high	96.3	Very high	107 Å²	107	45.2 Å²	45.2	47%	0.465	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-55.6	116.2	175	-180	173.5	179.8	-179	0	110	G115 Y116	K95-G115 WeakPolarHBondContact CE-O 3.39Å; K95-G115 PolarHBondContact NZ-O 3.15Å; K95-Y116 HydrophobicContact CB-CE1 4.5Å; K95-Y116 HydrophobicContact CD-CD2 4.15Å; K95-Y116 HydrophobicContact CD-CE2 3.9Å; K95-Y116 HydrophobicContact CG-CD1 4.32Å; K95-Y116 HydrophobicContact CG-CD2 4.3Å; K95-Y116 HydrophobicContact CG-CE1 3.95Å; K95-Y116 HydrophobicContact CG-CE2 3.91Å; K95-Y116 HydrophobicContact CG-CG 4.49Å
96	P	96.9	Very high	96.1	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.039	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-75.7	163.7	178.7	34.4	-36.9	0	0	0	111	Q4 V6 L89 K94 T99 Y116	Q4-P96 HydrophobicContact CB-CB 4.23Å; Q4-P96 HydrophobicContact CG-CB 4.14Å; Q4-P96 WeakPolarHBondContact O-CB 3.26Å; V6-P96 HydrophobicContact CB-CB 4.27Å; V6-P96 HydrophobicContact CB-CG 4.03Å; V6-P96 HydrophobicContact CG2-CB 3.67Å; V6-P96 HydrophobicContact CG2-CG 3.73Å; L89-P96 HydrophobicContact CD1-CG 4.45Å; K94-P96 VanDerWaalsContact O-CD 3.3Å; K94-P96 WeakPolarHBondContact O-CD 3.07Å; K94-P96 VanDerWaalsContact O-N 3.11Å; P96-T99 WeakPolarHBondContact CG-OG1 3.36Å; P96-Y116 HydrophobicContact CG-CD1 4.35Å; P96-Y116 HydrophobicContact CG-CE1 4.23Å
97	D	97.4	Very high	96.1	Very high	46 Å²	46	45.5 Å²	45.5	25%	0.246	20%	0.204	C	C	.	.	S	Bend	trans	-71.2	-33.4	174.8	-65.3	-90.6	0	0	0	111.7	K3 Q4 N117 I428	K3-D97 VanDerWaalsContact CA-OD2 3.3Å; K3-D97 WeakPolarHBondContact CA-OD2 3.37Å; K3-D97 HydrophobicContact CB-CB 4.49Å; K3-D97 HydrophobicContact CD-CB 4.08Å; K3-D97 WeakPolarHBondContact CD-OD1 3.43Å; K3-D97 VanDerWaalsContact CD-OD2 3.25Å; K3-D97 WeakPolarHBondContact CD-OD2 3.45Å; K3-D97 IonicContact NZ-OD1 3.18Å; K3-D97 PolarHBondContact NZ-OD1 3.04Å; Q4-D97 PolarHBondContact N-OD2 3.2Å; Q4-D97 PolarHBondContact O-N 3.01Å; D97-N117 WeakPolarHBondContact O-CB 3.49Å; D97-N117 PolarHBondContact O-ND2 2.72Å; D97-I428 HydrophobicContact CB-CD1 4.24Å; D97-I428 HydrophobicContact CB-CG1 4.37Å
98	V	97.8	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138	176.4	178.9	0	0	0	0	110.5	Q4 I5 V6 F100 I119 V424 L427 I428	Q4-V98 PolarHBondContact O-N 2.62Å; I5-V98 WeakPolarHBondContact CA-O 3.48Å; V6-V98 PolarHBondContact N-O 3.15Å; V6-V98 VanDerWaalsContact N-O 3.1Å; V98-F100 HydrophobicContact CG1-CD2 4.04Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-I119 HydrophobicContact CG1-CD1 3.75Å; V98-I119 HydrophobicContact CG1-CG1 3.91Å; V98-V424 HydrophobicContact CG2-CG1 4.24Å; V98-L427 HydrophobicContact CG1-CD2 4.11Å; V98-L427 HydrophobicContact CG2-CD2 4.18Å; V98-I428 HydrophobicContact CG2-CD1 4.04Å; V98-I428 HydrophobicContact CG2-CG1 3.64Å
99	T	98.1	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.9	172.7	-52.7	0	0	0	0	110.4	V6 L8 L89 P96 V101 L111 N117 T118 I119	V6-T99 CarbonylContact O-C 3.2Å; V6-T99 WeakPolarHBondContact O-CA 3.47Å; L8-T99 HydrophobicContact CD1-CG2 3.83Å; L8-T99 HydrophobicContact CG-CG2 4.3Å; L89-T99 HydrophobicContact CD2-CG2 3.87Å; P96-T99 WeakPolarHBondContact CG-OG1 3.36Å; T99-V101 HydrophobicContact CG2-CG2 4.31Å; T99-L111 HydrophobicContact CG2-CD1 3.87Å; T99-L111 HydrophobicContact CG2-CD2 4.48Å; T99-N117 PolarHBondContact N-O 3.03Å; T99-T118 WeakPolarHBondContact O-CA 3.44Å; T99-I119 PolarHBondContact O-N 2.95Å
100	F	98	Very high	95.9	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137.8	168.3	-79.2	-103.6	0	0	0	109.6	I5 V6 F7 L8 L28 V98 I119 L160 L420 V424	I5-F100 HydrophobicContact CG2-CD2 3.7Å; I5-F100 HydrophobicContact CG2-CE2 3.86Å; V6-F100 PolarHBondContact O-N 3.03Å; F7-F100 HydrophobicContact CB-CB 4.5Å; F7-F100 HydrophobicContact CD1-CB 3.35Å; F7-F100 HydrophobicContact CD1-CD1 4.34Å; F7-F100 HydrophobicContact CD1-CD2 4.4Å; F7-F100 AromaticContact CD1-CG 3.81Å; F7-F100 HydrophobicContact CD1-CG 3.81Å; F7-F100 HydrophobicContact CE1-CB 3.6Å; F7-F100 AromaticContact CE1-CD1 3.73Å; F7-F100 HydrophobicContact CE1-CD1 3.73Å; F7-F100 AromaticContact CE1-CD2 3.94Å; F7-F100 HydrophobicContact CE1-CD2 3.94Å; F7-F100 HydrophobicContact CE1-CE1 4.37Å; F7-F100 AromaticContact CE1-CG 3.48Å; F7-F100 HydrophobicContact CE1-CG 3.48Å; F7-F100 VanDerWaalsContact CE1-CG 3.48Å; F7-F100 HydrophobicContact CE2-CD2 4.41Å; F7-F100 HydrophobicContact CG-CB 3.97Å; F7-F100 HydrophobicContact CZ-CB 4.38Å; F7-F100 HydrophobicContact CZ-CD1 4.36Å; F7-F100 AromaticContact CZ-CD2 3.94Å; F7-F100 HydrophobicContact CZ-CD2 3.94Å; F7-F100 HydrophobicContact CZ-CE2 4.31Å; F7-F100 AromaticContact CZ-CG 3.98Å; F7-F100 HydrophobicContact CZ-CG 3.98Å; L8-F100 PolarHBondContact N-O 3.19Å; L28-F100 HydrophobicContact CD1-CE2 4.08Å; L28-F100 HydrophobicContact CD1-CZ 4.31Å; V98-F100 HydrophobicContact CG1-CD2 4.04Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; F100-I119 CarbonylContact C-O 3.57Å; F100-I119 VanDerWaalsContact CA-O 3.3Å; F100-I119 WeakPolarHBondContact CA-O 3.35Å; F100-I119 HydrophobicContact CD1-CB 3.95Å; F100-I119 HydrophobicContact CD1-CG2 3.8Å; F100-I119 HydrophobicContact CE1-CB 3.94Å; F100-I119 HydrophobicContact CE1-CD1 4.08Å; F100-I119 HydrophobicContact CE1-CG2 3.55Å; F100-I119 HydrophobicContact CE2-CD1 3.91Å; F100-I119 HydrophobicContact CG-CB 4.26Å; F100-I119 HydrophobicContact CZ-CB 4.21Å; F100-I119 HydrophobicContact CZ-CD1 3.56Å; F100-I119 HydrophobicContact CZ-CG1 4.42Å; F100-I119 HydrophobicContact CZ-CG2 4.16Å; F100-L160 HydrophobicContact CE1-CD1 3.84Å; F100-L420 HydrophobicContact CE1-CD1 3.95Å; F100-L420 HydrophobicContact CZ-CD1 3.67Å; F100-V424 HydrophobicContact CE2-CG2 3.84Å; F100-V424 HydrophobicContact CZ-CG2 3.76Å
101	V	97.2	Very high	95.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.1	172.3	-175.5	0	0	0	0	107.6	L8 T99 I104 P107 I108 L111 I119 F120 Y121	L8-V101 HydrophobicContact CB-CG2 4.33Å; L8-V101 HydrophobicContact CD1-CG2 4.26Å; T99-V101 HydrophobicContact CG2-CG2 4.31Å; V101-I104 VanDerWaalsContact CG1-O 3.26Å; V101-I104 WeakPolarHBondContact CG1-O 3.3Å; V101-P107 HydrophobicContact CG1-CB 4.16Å; V101-P107 HydrophobicContact CG1-CG 4.19Å; V101-P107 HydrophobicContact CG2-CB 4.46Å; V101-I108 HydrophobicContact CB-CD1 4.41Å; V101-I108 HydrophobicContact CB-CG1 4.19Å; V101-I108 HydrophobicContact CG1-CG1 4.34Å; V101-I108 HydrophobicContact CG2-CG1 4.05Å; V101-L111 HydrophobicContact CG2-CD1 3.76Å; V101-I119 PolarHBondContact N-O 3.08Å; V101-F120 HydrophobicContact CB-CD2 4.19Å; V101-F120 HydrophobicContact CG1-CD2 4.23Å; V101-F120 CarbonylContact O-C 3.55Å; V101-F120 VanDerWaalsContact O-CA 3.25Å; V101-F120 WeakPolarHBondContact O-CA 3.35Å; V101-F120 WeakPolarHBondContact O-CD2 3.49Å; V101-Y121 PolarHBondContact O-N 2.79Å
102	D	94.7	Very high	95.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	166.6	175.5	77.5	-62.1	0	0	0	112.7	L8 H9 I21 I104 H123	L8-D102 PolarHBondContact O-N 2.88Å; H9-D102 WeakPolarHBondContact CA-OD1 3.23Å; H9-D102 WeakPolarHBondContact CB-OD1 3.32Å; H9-D102 IonicContact CE1-OD1 2.77Å; H9-D102 IonicContact CE1-OD2 3.2Å; H9-D102 PolarHBondContact CE1-OD2 3.48Å; H9-D102 IonicContact CG-OD1 3.1Å; H9-D102 IonicContact ND1-OD1 3.35Å; H9-D102 PolarHBondContact ND1-OD1 3.18Å; H9-D102 IonicContact ND1-OD2 2.89Å; H9-D102 PolarHBondContact ND1-OD2 3.47Å; I21-D102 HydrophobicContact CD1-CB 3.83Å; I21-D102 VanDerWaalsContact CD1-CG 3.49Å; I21-D102 HydrophobicContact CG1-CB 4.41Å; I21-D102 WeakPolarHBondContact CG1-OD2 3.49Å; D102-I104 PolarHBondContact O-N 3.45Å; D102-H123 IonicContact OD2-NE2 2.72Å; D102-H123 PolarHBondContact OD2-NE2 2.71Å
103	Q	89.1	Confident	95.8	Very high	82 Å²	82	35.4 Å²	35.4	38%	0.383	18%	0.179	S	C	.	.	S	Bend	trans	59.6	-48.9	-172.3	-55.6	-156.4	40.3	0	0	116.3	H9 P10 A17	H9-Q103 PolarHBondContact CE1-NE2 3.46Å; P10-Q103 HydrophobicContact CG-CB 3.97Å; P10-Q103 HydrophobicContact CG-CG 4.47Å; A17-Q103 HydrophobicContact CB-CG 4.33Å
104	I	92.4	Very high	95.8	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.077	19%	0.186	C	C	.	.			trans	-122.6	112	-177.8	-61.1	170.2	0	0	0	108.3	P10 A78 Y79 L82 V101 D102 A106 P107	P10-I104 HydrophobicContact CG-CD1 4.09Å; P10-I104 HydrophobicContact CG-CG1 4.39Å; A78-I104 HydrophobicContact CB-CD1 3.63Å; Y79-I104 HydrophobicContact CD1-CG2 4.1Å; Y79-I104 HydrophobicContact CD2-CB 4.49Å; Y79-I104 HydrophobicContact CD2-CD1 3.95Å; Y79-I104 HydrophobicContact CD2-CG1 4.14Å; Y79-I104 HydrophobicContact CD2-CG2 3.55Å; Y79-I104 HydrophobicContact CE1-CG2 4.06Å; Y79-I104 HydrophobicContact CE2-CB 4.29Å; Y79-I104 HydrophobicContact CE2-CD1 4.27Å; Y79-I104 HydrophobicContact CE2-CG1 3.97Å; Y79-I104 HydrophobicContact CE2-CG2 3.51Å; Y79-I104 HydrophobicContact CG-CG2 3.85Å; L82-I104 HydrophobicContact CD2-CB 3.72Å; L82-I104 HydrophobicContact CD2-CG2 4.17Å; V101-I104 VanDerWaalsContact CG1-O 3.26Å; V101-I104 WeakPolarHBondContact CG1-O 3.3Å; D102-I104 PolarHBondContact O-N 3.45Å; I104-A106 HydrophobicContact CG2-CB 4.02Å; I104-P107 VanDerWaalsContact O-CD 3.3Å; I104-P107 WeakPolarHBondContact O-CD 3.36Å
105	S	93.6	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.			trans	-79	-15.3	-177.1	41	0	0	0	0	114.5	P107 I108 E149 S152 T153	S105-P107 VanDerWaalsContact C-N 3.35Å; S105-P107 VanDerWaalsContact O-N 3.11Å; S105-I108 VanDerWaalsContact O-CB 3.24Å; S105-I108 WeakPolarHBondContact O-CB 3.16Å; S105-I108 VanDerWaalsContact O-CG1 3.22Å; S105-I108 WeakPolarHBondContact O-CG1 3.34Å; S105-I108 PolarHBondContact O-N 3.13Å; S105-E149 PolarHBondContact OG-O 2.77Å; S105-S152 WeakPolarHBondContact CB-OG 3.26Å; S105-S152 VanDerWaalsContact O-CB 3.25Å; S105-S152 WeakPolarHBondContact O-CB 3.35Å; S105-S152 PolarHBondContact O-OG 2.75Å; S105-S152 PolarHBondContact OG-OG 3.1Å; S105-T153 WeakPolarHBondContact CB-OG1 3.25Å; S105-T153 PolarHBondContact OG-OG1 2.79Å
106	A	94	Very high	95.9	Very high	6 Å²	6	26.6 Å²	26.6	5%	0.05	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-41	-176	0	0	0	0	0	116.2	Y79 I104 I108 I109 I148 S152	Y79-A106 HydrophobicContact CD1-CB 3.57Å; Y79-A106 HydrophobicContact CE1-CB 3.67Å; Y79-A106 HydrophobicContact CG-CB 4.47Å; I104-A106 HydrophobicContact CG2-CB 4.02Å; A106-I108 PolarHBondContact O-N 2.74Å; A106-I108 VanDerWaalsContact O-N 3.09Å; A106-I109 PolarHBondContact O-N 2.86Å; A106-I148 HydrophobicContact CB-CG2 3.75Å; A106-S152 PolarHBondContact N-OG 2.8Å
107	P	96.3	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-47.6	-33	172.1	-36.2	41.4	0	0	0	116.1	L82 T86 V101 I104 S105 I109 L110 L111	L82-P107 HydrophobicContact CB-CG 4.29Å; L82-P107 HydrophobicContact CD2-CG 3.52Å; L82-P107 HydrophobicContact CG-CG 3.61Å; T86-P107 HydrophobicContact CG2-CB 4.08Å; T86-P107 VanDerWaalsContact OG1-CB 3.24Å; T86-P107 WeakPolarHBondContact OG1-CB 3.35Å; T86-P107 WeakPolarHBondContact OG1-CG 3.18Å; V101-P107 HydrophobicContact CG1-CB 4.16Å; V101-P107 HydrophobicContact CG1-CG 4.19Å; V101-P107 HydrophobicContact CG2-CB 4.46Å; I104-P107 VanDerWaalsContact O-CD 3.3Å; I104-P107 WeakPolarHBondContact O-CD 3.36Å; S105-P107 VanDerWaalsContact C-N 3.35Å; S105-P107 VanDerWaalsContact O-N 3.11Å; P107-I109 PolarHBondContact O-N 2.91Å; P107-L110 PolarHBondContact O-N 3.1Å; P107-L111 HydrophobicContact CB-CD1 4.26Å; P107-L111 WeakPolarHBondContact O-CG 3.48Å; P107-L111 PolarHBondContact O-N 2.87Å
108	I	97	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-32.4	-173.9	-61.7	169.4	0	0	0	110.9	V101 S105 A106 L110 L111 R112 T118 F120 S152 M155 A156	V101-I108 HydrophobicContact CB-CD1 4.41Å; V101-I108 HydrophobicContact CB-CG1 4.19Å; V101-I108 HydrophobicContact CG1-CG1 4.34Å; V101-I108 HydrophobicContact CG2-CG1 4.05Å; S105-I108 VanDerWaalsContact O-CB 3.24Å; S105-I108 WeakPolarHBondContact O-CB 3.16Å; S105-I108 VanDerWaalsContact O-CG1 3.22Å; S105-I108 WeakPolarHBondContact O-CG1 3.34Å; S105-I108 PolarHBondContact O-N 3.13Å; A106-I108 PolarHBondContact O-N 2.74Å; A106-I108 VanDerWaalsContact O-N 3.09Å; I108-L110 VanDerWaalsContact C-N 3.32Å; I108-L110 PolarHBondContact O-N 3.11Å; I108-L111 PolarHBondContact O-N 3.42Å; I108-R112 HydrophobicContact CG2-CG 3.73Å; I108-R112 VanDerWaalsContact O-CB 3.28Å; I108-R112 WeakPolarHBondContact O-CB 3.37Å; I108-R112 WeakPolarHBondContact O-CG 3.46Å; I108-R112 PolarHBondContact O-N 2.84Å; I108-T118 HydrophobicContact CG2-CG2 4.4Å; I108-F120 HydrophobicContact CD1-CB 3.65Å; I108-F120 HydrophobicContact CD1-CD2 3.76Å; I108-F120 HydrophobicContact CD1-CG 3.85Å; I108-S152 WeakPolarHBondContact CG2-O 3.34Å; I108-M155 HydrophobicContact CG2-CB 3.9Å; I108-A156 HydrophobicContact CD1-CB 4.12Å; I108-A156 HydrophobicContact CG2-CB 4.41Å
109	I	96.4	Very high	95.9	Very high	51 Å²	51	24.8 Å²	24.8	26%	0.262	15%	0.146	S	C	.	.	H	α-helix	trans	-57.7	-48.7	176.5	-61	172.6	0	0	0	110.2	A106 P107 A113 I148 L151 M155	A106-I109 PolarHBondContact O-N 2.86Å; P107-I109 PolarHBondContact O-N 2.91Å; I109-A113 WeakPolarHBondContact O-CB 3.43Å; I109-A113 PolarHBondContact O-N 2.83Å; I109-A113 VanDerWaalsContact O-N 3.1Å; I109-I148 HydrophobicContact CD1-CG2 4.11Å; I109-L151 HydrophobicContact CD1-CD2 4.23Å; I109-M155 HydrophobicContact CB-SD 4.31Å; I109-M155 HydrophobicContact CG1-SD 3.81Å; I109-M155 HydrophobicContact CG2-CE 4.42Å; I109-M155 HydrophobicContact CG2-SD 4.43Å
110	L	97	Very high	95.8	Very high	61 Å²	61	25.1 Å²	25.1	32%	0.319	15%	0.148	S	C	.	.	H	α-helix	trans	-69.1	-47.3	-178.9	-63.2	177.8	0	0	0	110.9	I83 T86 L87 I90 P107 I108 R112 A113 V114	I83-L110 HydrophobicContact CG2-CD1 3.93Å; T86-L110 HydrophobicContact CG2-CB 4.26Å; T86-L110 HydrophobicContact CG2-CD1 4.47Å; L87-L110 HydrophobicContact CD2-CD1 4.14Å; I90-L110 HydrophobicContact CD1-CB 4.23Å; P107-L110 PolarHBondContact O-N 3.1Å; I108-L110 VanDerWaalsContact C-N 3.32Å; I108-L110 PolarHBondContact O-N 3.11Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 2.79Å; L110-A113 WeakPolarHBondContact O-CB 3.46Å; L110-A113 PolarHBondContact O-N 2.92Å; L110-V114 WeakPolarHBondContact O-CG2 3.46Å; L110-V114 PolarHBondContact O-N 3.37Å
111	L	97.7	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-46.4	-179.6	-69.5	170.7	0	0	0	111.7	L8 T86 L89 I90 T99 V101 P107 I108 V114 G115 Y116 T118	L8-L111 HydrophobicContact CD1-CD1 3.91Å; T86-L111 HydrophobicContact CG2-CD1 4.36Å; T86-L111 HydrophobicContact CG2-CD2 3.83Å; T86-L111 HydrophobicContact CG2-CG 3.77Å; L89-L111 HydrophobicContact CD2-CD2 4.07Å; I90-L111 HydrophobicContact CD1-CD2 4.45Å; I90-L111 HydrophobicContact CG1-CD2 4.36Å; T99-L111 HydrophobicContact CG2-CD1 3.87Å; T99-L111 HydrophobicContact CG2-CD2 4.48Å; V101-L111 HydrophobicContact CG2-CD1 3.76Å; P107-L111 HydrophobicContact CB-CD1 4.26Å; P107-L111 WeakPolarHBondContact O-CG 3.48Å; P107-L111 PolarHBondContact O-N 2.87Å; I108-L111 PolarHBondContact O-N 3.42Å; L111-V114 CarbonylContact O-C 3.52Å; L111-V114 WeakPolarHBondContact O-CG2 3.36Å; L111-V114 PolarHBondContact O-N 3.18Å; L111-G115 PolarHBondContact O-N 2.87Å; L111-G115 VanDerWaalsContact O-N 3.17Å; L111-Y116 HydrophobicContact CB-CG 4.45Å; L111-Y116 HydrophobicContact CD2-CD1 3.7Å; L111-Y116 HydrophobicContact CD2-CE1 4.1Å; L111-Y116 HydrophobicContact CD2-CG 3.95Å; L111-Y116 WeakPolarHBondContact O-CB 3.36Å; L111-Y116 PolarHBondContact O-N 2.91Å; L111-T118 HydrophobicContact CB-CG2 3.75Å; L111-T118 HydrophobicContact CD1-CG2 4.05Å
112	R	95.9	Very high	95.2	Very high	80 Å²	80	25.3 Å²	25.3	30%	0.302	15%	0.149	S	C	.	.	H	α-helix	trans	-69.8	-35.2	178.8	-66.3	-62.1	-65.6	171.4	-16.8	112.7	I108 L110 V114 G115 Y116 T118 M155 D157	I108-R112 HydrophobicContact CG2-CG 3.73Å; I108-R112 VanDerWaalsContact O-CB 3.28Å; I108-R112 WeakPolarHBondContact O-CB 3.37Å; I108-R112 WeakPolarHBondContact O-CG 3.46Å; I108-R112 PolarHBondContact O-N 2.84Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 2.79Å; R112-V114 PolarHBondContact O-N 3.01Å; R112-G115 PolarHBondContact O-N 3.45Å; R112-Y116 WeakPolarHBondContact CD-O 3.4Å; R112-Y116 PolarHBondContact NH1-O 3.02Å; R112-T118 WeakPolarHBondContact CD-OG1 3.41Å; R112-T118 HydrophobicContact CG-CG2 4.24Å; R112-M155 HydrophobicContact CB-CE 3.88Å; R112-M155 HydrophobicContact CG-CB 4.25Å; R112-M155 WeakPolarHBondContact CG-O 3.46Å; R112-M155 PolarHBondContact NE-O 3.43Å; R112-D157 IonicContact CZ-OD1 2.6Å; R112-D157 IonicContact CZ-OD2 3.61Å; R112-D157 IonicContact NE-OD1 3.45Å; R112-D157 IonicContact NE-OD2 3.07Å; R112-D157 VanDerWaalsContact NH1-CG 3.33Å; R112-D157 IonicContact NH1-OD1 3.35Å; R112-D157 PolarHBondContact NH1-OD1 2.71Å; R112-D157 IonicContact NH1-OD2 3.66Å; R112-D157 PolarHBondContact NH1-OD2 3.29Å; R112-D157 IonicContact NH2-OD1 3.43Å; R112-D157 PolarHBondContact NH2-OD1 2.85Å; R112-D157 IonicContact NH2-OD2 3.72Å
113	A	96	Very high	94.6	Very high	84 Å²	84	27 Å²	27	69%	0.694	16%	0.157	S	C	*	.	H	α-helix	trans	-61.1	-28.2	175.1	0	0	0	0	0	112.9	I109 L110	I109-A113 WeakPolarHBondContact O-CB 3.43Å; I109-A113 PolarHBondContact O-N 2.83Å; I109-A113 VanDerWaalsContact O-N 3.1Å; L110-A113 WeakPolarHBondContact O-CB 3.46Å; L110-A113 PolarHBondContact O-N 2.92Å
114	V	96.3	Very high	94	Very high	73 Å²	73	24.8 Å²	24.8	44%	0.442	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	17.3	174.4	-62.9	0	0	0	0	113.5	I90 L110 L111 R112 Y116	I90-V114 HydrophobicContact CD1-CG2 3.86Å; I90-V114 HydrophobicContact CG1-CG2 4.09Å; I90-V114 HydrophobicContact CG2-CG2 4.42Å; L110-V114 WeakPolarHBondContact O-CG2 3.46Å; L110-V114 PolarHBondContact O-N 3.37Å; L111-V114 CarbonylContact O-C 3.52Å; L111-V114 WeakPolarHBondContact O-CG2 3.36Å; L111-V114 PolarHBondContact O-N 3.18Å; R112-V114 PolarHBondContact O-N 3.01Å; V114-Y116 HydrophobicContact CB-CD2 4.45Å; V114-Y116 HydrophobicContact CB-CE2 4.44Å; V114-Y116 HydrophobicContact CG2-CD2 3.55Å; V114-Y116 HydrophobicContact CG2-CE2 3.57Å
115	G	95.5	Very high	93.1	Very high	39 Å²	39	24.1 Å²	24.1	40%	0.402	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	31	169.2	0	0	0	0	0	115.7	K95 L111 R112	K95-G115 WeakPolarHBondContact CE-O 3.39Å; K95-G115 PolarHBondContact NZ-O 3.15Å; L111-G115 PolarHBondContact O-N 2.87Å; L111-G115 VanDerWaalsContact O-N 3.17Å; R112-G115 PolarHBondContact O-N 3.45Å
116	Y	97	Very high	91.9	Very high	11 Å²	11	26 Å²	26	4%	0.043	15%	0.153	C	C	.	.			trans	-80.6	148.2	173.8	-78.2	-127.7	0	0	0	111.2	L89 I90 K95 P96 L111 R112 V114	L89-Y116 HydrophobicContact CD2-CE1 4.24Å; L89-Y116 HydrophobicContact CG-CE1 4.12Å; I90-Y116 HydrophobicContact CG1-CE2 4.36Å; K95-Y116 HydrophobicContact CB-CE1 4.5Å; K95-Y116 HydrophobicContact CD-CD2 4.15Å; K95-Y116 HydrophobicContact CD-CE2 3.9Å; K95-Y116 HydrophobicContact CG-CD1 4.32Å; K95-Y116 HydrophobicContact CG-CD2 4.3Å; K95-Y116 HydrophobicContact CG-CE1 3.95Å; K95-Y116 HydrophobicContact CG-CE2 3.91Å; K95-Y116 HydrophobicContact CG-CG 4.49Å; P96-Y116 HydrophobicContact CG-CD1 4.35Å; P96-Y116 HydrophobicContact CG-CE1 4.23Å; L111-Y116 HydrophobicContact CB-CG 4.45Å; L111-Y116 HydrophobicContact CD2-CD1 3.7Å; L111-Y116 HydrophobicContact CD2-CE1 4.1Å; L111-Y116 HydrophobicContact CD2-CG 3.95Å; L111-Y116 WeakPolarHBondContact O-CB 3.36Å; L111-Y116 PolarHBondContact O-N 2.91Å; R112-Y116 WeakPolarHBondContact CD-O 3.4Å; R112-Y116 PolarHBondContact NH1-O 3.02Å; V114-Y116 HydrophobicContact CB-CD2 4.45Å; V114-Y116 HydrophobicContact CB-CE2 4.44Å; V114-Y116 HydrophobicContact CG2-CD2 3.55Å; V114-Y116 HydrophobicContact CG2-CE2 3.57Å
117	N	96.6	Very high	90.6	Very high	15 Å²	15	27.8 Å²	27.8	8%	0.08	16%	0.161	C	C	.	.			trans	-80.2	128.3	167.4	-68.8	-36.4	0	0	0	110.2	D97 T99 L427 D431	D97-N117 WeakPolarHBondContact O-CB 3.49Å; D97-N117 PolarHBondContact O-ND2 2.72Å; T99-N117 PolarHBondContact N-O 3.03Å; N117-L427 HydrophobicContact CB-CD2 4.08Å; N117-L427 HydrophobicContact CB-CG 4.28Å; N117-D431 VanDerWaalsContact ND2-CG 3.33Å; N117-D431 PolarHBondContact ND2-OD2 2.99Å; N117-D431 PolarHBondContact OD1-OD1 3.08Å; N117-D431 PolarHBondContact OD1-OD2 2.82Å
118	T	97	Very high	89.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	-170.3	58.2	0	0	0	0	111.9	T99 I108 L111 R112 A156 D157 I158	T99-T118 WeakPolarHBondContact O-CA 3.44Å; I108-T118 HydrophobicContact CG2-CG2 4.4Å; L111-T118 HydrophobicContact CB-CG2 3.75Å; L111-T118 HydrophobicContact CD1-CG2 4.05Å; R112-T118 WeakPolarHBondContact CD-OG1 3.41Å; R112-T118 HydrophobicContact CG-CG2 4.24Å; T118-A156 WeakPolarHBondContact OG1-CA 3.28Å; T118-D157 PolarHBondContact N-OD2 3.49Å; T118-D157 WeakPolarHBondContact O-CB 3.38Å; T118-D157 PolarHBondContact O-N 3.31Å; T118-D157 VanDerWaalsContact O-N 3.08Å; T118-D157 PolarHBondContact OG1-N 3.16Å; T118-D157 PolarHBondContact OG1-OD2 2.81Å; T118-D157 VanDerWaalsContact OG1-OD2 3.11Å; T118-I158 PolarHBondContact O-N 2.88Å
119	I	97.3	Very high	87.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.9	167.8	-60.7	-176.8	0	0	0	107.4	V98 T99 F100 V101 I158 L160 I423 V424 L427	V98-I119 HydrophobicContact CG1-CD1 3.75Å; V98-I119 HydrophobicContact CG1-CG1 3.91Å; T99-I119 PolarHBondContact O-N 2.95Å; F100-I119 CarbonylContact C-O 3.57Å; F100-I119 VanDerWaalsContact CA-O 3.3Å; F100-I119 WeakPolarHBondContact CA-O 3.35Å; F100-I119 HydrophobicContact CD1-CB 3.95Å; F100-I119 HydrophobicContact CD1-CG2 3.8Å; F100-I119 HydrophobicContact CE1-CB 3.94Å; F100-I119 HydrophobicContact CE1-CD1 4.08Å; F100-I119 HydrophobicContact CE1-CG2 3.55Å; F100-I119 HydrophobicContact CE2-CD1 3.91Å; F100-I119 HydrophobicContact CG-CB 4.26Å; F100-I119 HydrophobicContact CZ-CB 4.21Å; F100-I119 HydrophobicContact CZ-CD1 3.56Å; F100-I119 HydrophobicContact CZ-CG1 4.42Å; F100-I119 HydrophobicContact CZ-CG2 4.16Å; V101-I119 PolarHBondContact N-O 3.08Å; I119-I158 WeakPolarHBondContact CA-O 3.43Å; I119-I158 HydrophobicContact CG1-CB 4.3Å; I119-L160 HydrophobicContact CG2-CD1 3.59Å; I119-L160 HydrophobicContact CG2-CD2 4.41Å; I119-L160 HydrophobicContact CG2-CG 3.57Å; I119-I423 HydrophobicContact CD1-CG2 3.92Å; I119-V424 HydrophobicContact CD1-CG2 4.29Å; I119-L427 HydrophobicContact CD1-CD2 3.81Å; I119-L427 HydrophobicContact CG1-CD2 3.53Å
120	F	96.1	Very high	86.2	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.9	174.4	-177.3	-117.1	0	0	0	110.8	V101 I108 C122 T153 A156 I158 V159 L160	V101-F120 HydrophobicContact CB-CD2 4.19Å; V101-F120 HydrophobicContact CG1-CD2 4.23Å; V101-F120 CarbonylContact O-C 3.55Å; V101-F120 VanDerWaalsContact O-CA 3.25Å; V101-F120 WeakPolarHBondContact O-CA 3.35Å; V101-F120 WeakPolarHBondContact O-CD2 3.49Å; I108-F120 HydrophobicContact CD1-CB 3.65Å; I108-F120 HydrophobicContact CD1-CD2 3.76Å; I108-F120 HydrophobicContact CD1-CG 3.85Å; F120-C122 HydrophobicContact CD1-CB 4.06Å; F120-C122 HydrophobicContact CE1-CB 3.76Å; F120-T153 HydrophobicContact CD1-CG2 3.9Å; F120-T153 HydrophobicContact CE1-CG2 4.1Å; F120-A156 HydrophobicContact CB-CB 3.93Å; F120-I158 PolarHBondContact N-O 3.11Å; F120-V159 HydrophobicContact CB-CG2 4.27Å; F120-V159 HydrophobicContact CD1-CG1 4.25Å; F120-V159 HydrophobicContact CD1-CG2 4.49Å; F120-V159 CarbonylContact O-C 3.49Å; F120-V159 WeakPolarHBondContact O-CA 2.98Å; F120-L160 PolarHBondContact O-N 3.42Å
121	Y	94.5	Very high	84.2	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	105.3	171.6	-157.3	-69.6	0	0	0	111	L20 V101 H123 L160 N162 L185	L20-Y121 HydrophobicContact CD1-CE2 4.46Å; L20-Y121 HydrophobicContact CD2-CD1 3.43Å; L20-Y121 VanDerWaalsContact CD2-CD1 3.43Å; L20-Y121 HydrophobicContact CD2-CD2 3.71Å; L20-Y121 HydrophobicContact CD2-CE1 3.14Å; L20-Y121 HydrophobicContact CD2-CE2 3.44Å; L20-Y121 VanDerWaalsContact CD2-CE2 3.44Å; L20-Y121 HydrophobicContact CD2-CG 3.73Å; L20-Y121 HydrophobicContact CG-CE2 4.39Å; V101-Y121 PolarHBondContact O-N 2.79Å; Y121-H123 AromaticContact CD1-CE1 3.8Å; Y121-H123 AromaticContact CD1-ND1 3.92Å; Y121-H123 AromaticContact CD1-NE2 3.88Å; Y121-H123 AromaticContact CE1-ND1 3.9Å; Y121-H123 PolarHBondContact O-N 3.14Å; Y121-L160 HydrophobicContact CD2-CB 3.4Å; Y121-L160 VanDerWaalsContact CD2-CB 3.4Å; Y121-L160 HydrophobicContact CD2-CD1 3.74Å; Y121-L160 HydrophobicContact CD2-CG 4.19Å; Y121-L160 HydrophobicContact CE2-CB 3.7Å; Y121-L160 HydrophobicContact CE2-CD1 4.19Å; Y121-L160 HydrophobicContact CG-CB 4.02Å; Y121-N162 HydrophobicContact CE1-CB 4.41Å; Y121-N162 VanDerWaalsContact OH-CA 3.31Å; Y121-N162 WeakPolarHBondContact OH-CA 3.47Å; Y121-N162 WeakPolarHBondContact OH-CB 3.34Å; Y121-L185 HydrophobicContact CE2-CB 4.09Å; Y121-L185 HydrophobicContact CE2-CD2 4.03Å; Y121-L185 HydrophobicContact CE2-CG 4.44Å; Y121-L185 PolarHBondContact OH-O 3.38Å
122	C	89.7	Confident	82.2	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.034	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	95.9	175.7	179.8	0	0	0	0	110.4	F120 F124 V159 L160 V161	F120-C122 HydrophobicContact CD1-CB 4.06Å; F120-C122 HydrophobicContact CE1-CB 3.76Å; C122-F124 VanDerWaalsContact C-N 3.33Å; C122-V159 HydrophobicContact CB-CG1 4.02Å; C122-L160 PolarHBondContact N-O 3.32Å; C122-V161 HydrophobicContact CB-CG1 4.24Å
123	H	80.9	Confident	80.6	Confident	35 Å²	35	44.6 Å²	44.6	16%	0.162	25%	0.245	C	C	.	.	S	Bend	trans	-61.7	-43	173.5	-62	-86.4	0	0	0	112.1	A17 L20 D102 Y121 N162	A17-H123 WeakPolarHBondContact CA-CE1 3.18Å; L20-H123 WeakPolarHBondContact CD2-CE1 3.45Å; D102-H123 IonicContact OD2-NE2 2.72Å; D102-H123 PolarHBondContact OD2-NE2 2.71Å; Y121-H123 AromaticContact CD1-CE1 3.8Å; Y121-H123 AromaticContact CD1-ND1 3.92Å; Y121-H123 AromaticContact CD1-NE2 3.88Å; Y121-H123 AromaticContact CE1-ND1 3.9Å; Y121-H123 PolarHBondContact O-N 3.14Å; H123-N162 PolarHBondContact O-ND2 3.34Å
124	F	76.9	Confident	78.8	Confident	37 Å²	37	47.7 Å²	47.7	16%	0.162	25%	0.25	C	S	.	.	S	Bend	trans	-169.8	145.6	171.4	-164.1	-110.6	0	0	0	108.5	C122 D126 L128 L129 F165 T166 I169 H334	C122-F124 VanDerWaalsContact C-N 3.33Å; F124-D126 PolarHBondContact O-N 3.38Å; F124-L128 HydrophobicContact CD1-CB 4.11Å; F124-L128 HydrophobicContact CE1-CB 3.39Å; F124-L128 HydrophobicContact CE1-CD1 3.73Å; F124-L128 HydrophobicContact CE1-CG 4.22Å; F124-L128 HydrophobicContact CE2-CD1 4.47Å; F124-L128 HydrophobicContact CZ-CB 4.13Å; F124-L128 HydrophobicContact CZ-CD1 3.64Å; F124-L129 HydrophobicContact CD1-CD2 3.78Å; F124-L129 HydrophobicContact CD1-CG 4.18Å; F124-L129 HydrophobicContact CE1-CD2 4.46Å; F124-F165 HydrophobicContact CE2-CE1 4.36Å; F124-T166 HydrophobicContact CD2-CG2 4.43Å; F124-I169 HydrophobicContact CE2-CB 4.4Å; F124-I169 HydrophobicContact CE2-CG1 4.45Å; F124-I169 HydrophobicContact CE2-CG2 3.8Å; F124-I169 HydrophobicContact CZ-CG2 3.98Å; F124-H334 WeakPolarHBondContact CB-CE1 3.42Å; F124-H334 AromaticContact CD1-CE1 3.69Å; F124-H334 AromaticContact CD1-NE2 3.69Å; F124-H334 AromaticContact CD2-CD2 3.34Å; F124-H334 WeakPolarHBondContact CD2-CD2 3.2Å; F124-H334 AromaticContact CD2-CE1 3.48Å; F124-H334 VanDerWaalsContact CD2-CE1 3.48Å; F124-H334 WeakPolarHBondContact CD2-CE1 3.26Å; F124-H334 AromaticContact CD2-CG 3.65Å; F124-H334 AromaticContact CD2-ND1 3.72Å; F124-H334 AromaticContact CD2-NE2 3.28Å; F124-H334 VanDerWaalsContact CD2-NE2 3.28Å; F124-H334 WeakPolarHBondContact CD2-NE2 3.4Å; F124-H334 AromaticContact CE1-NE2 3.79Å; F124-H334 AromaticContact CE2-CD2 3.46Å; F124-H334 VanDerWaalsContact CE2-CD2 3.46Å; F124-H334 WeakPolarHBondContact CE2-CD2 3.18Å; F124-H334 AromaticContact CE2-NE2 3.44Å; F124-H334 WeakPolarHBondContact CE2-NE2 3.45Å; F124-H334 AromaticContact CG-CD2 3.95Å; F124-H334 AromaticContact CG-CE1 3.23Å; F124-H334 WeakPolarHBondContact CG-CE1 3.45Å; F124-H334 AromaticContact CG-ND1 3.73Å; F124-H334 AromaticContact CG-NE2 3.41Å; F124-H334 WeakPolarHBondContact CG-NE2 3.46Å; F124-H334 AromaticContact CZ-NE2 3.69Å
125	P	73.4	Confident	77.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.			trans	-58.2	128.3	179.6	-26.4	35.9	0	0	0	112.9	L127 L128 I169 T173 F174	P125-L127 PolarHBondContact O-N 2.91Å; P125-L128 HydrophobicContact CB-CD1 4.31Å; P125-L128 HydrophobicContact CB-CG 4.33Å; P125-L128 HydrophobicContact CG-CD1 4.32Å; P125-L128 PolarHBondContact O-N 3.45Å; P125-L128 VanDerWaalsContact O-N 3.08Å; P125-I169 HydrophobicContact CG-CG2 4.42Å; P125-T173 HydrophobicContact CB-CG2 4.34Å; P125-F174 HydrophobicContact CB-CE2 3.78Å; P125-F174 HydrophobicContact CB-CZ 4.1Å; P125-F174 HydrophobicContact CG-CE2 3.99Å
126	D	67.7	Low	76.9	Confident	40 Å²	40	51.7 Å²	51.7	21%	0.214	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-29.8	-178.3	-176.1	51.1	0	0	0	111.3	F124 L128 L129 R142 E149	F124-D126 PolarHBondContact O-N 3.38Å; D126-L128 PolarHBondContact O-N 3.27Å; D126-L129 PolarHBondContact O-N 3.12Å; D126-R142 IonicContact OD2-CZ 3.86Å; D126-R142 IonicContact OD2-NH1 3.48Å; D126-R142 PolarHBondContact OD2-NH1 3.37Å; D126-R142 IonicContact OD2-NH2 3.72Å; D126-R142 PolarHBondContact OD2-NH2 3.48Å; D126-E149 WeakPolarHBondContact CB-OE1 3.3Å; D126-E149 PolarHBondContact N-OE1 2.82Å
127	L	67.7	Low	76	Confident	44 Å²	44	57.8 Å²	57.8	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-44.5	-39.5	169.6	-161.5	80.9	0	0	0	113	P125 R133 D146 E149 T173	P125-L127 PolarHBondContact O-N 2.91Å; L127-R133 VanDerWaalsContact CD1-NH2 3.34Å; L127-R133 PolarHBondContact O-NH2 2.62Å; L127-D146 HydrophobicContact CD1-CB 3.6Å; L127-D146 WeakPolarHBondContact CD1-OD2 3.44Å; L127-E149 PolarHBondContact N-OE2 2.93Å; L127-T173 HydrophobicContact CB-CG2 4.27Å; L127-T173 HydrophobicContact CD2-CG2 3.42Å; L127-T173 VanDerWaalsContact CD2-CG2 3.42Å; L127-T173 HydrophobicContact CG-CG2 4.45Å
128	L	68.5	Low	75	Confident	75 Å²	75	61.2 Å²	61.2	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-91.6	-16.7	-175.1	-62.4	179.2	0	0	0	113.9	F124 P125 D126 T130 I169 T173	F124-L128 HydrophobicContact CD1-CB 4.11Å; F124-L128 HydrophobicContact CE1-CB 3.39Å; F124-L128 HydrophobicContact CE1-CD1 3.73Å; F124-L128 HydrophobicContact CE1-CG 4.22Å; F124-L128 HydrophobicContact CE2-CD1 4.47Å; F124-L128 HydrophobicContact CZ-CB 4.13Å; F124-L128 HydrophobicContact CZ-CD1 3.64Å; P125-L128 HydrophobicContact CB-CD1 4.31Å; P125-L128 HydrophobicContact CB-CG 4.33Å; P125-L128 HydrophobicContact CG-CD1 4.32Å; P125-L128 PolarHBondContact O-N 3.45Å; P125-L128 VanDerWaalsContact O-N 3.08Å; D126-L128 PolarHBondContact O-N 3.27Å; L128-T130 VanDerWaalsContact C-N 3.28Å; L128-T130 PolarHBondContact O-N 2.99Å; L128-I169 HydrophobicContact CD1-CG2 3.27Å; L128-T173 HydrophobicContact CG-CG2 4.48Å
129	L	66.2	Low	74	Confident	97 Å²	97	66.3 Å²	66.3	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-72.4	-24.4	179.5	-65.8	177.5	0	0	0	112.2	F124 D126 K131	F124-L129 HydrophobicContact CD1-CD2 3.78Å; F124-L129 HydrophobicContact CD1-CG 4.18Å; F124-L129 HydrophobicContact CE1-CD2 4.46Å; D126-L129 PolarHBondContact O-N 3.12Å; L129-K131 PolarHBondContact O-N 3.4Å; L129-K131 VanDerWaalsContact O-N 3.1Å
130	T	62.4	Low	73.2	Confident	27 Å²	27	71.2 Å²	71.2	17%	0.166	36%	0.359	C	S	.	.			trans	-85.8	83.6	-176.2	-46.2	0	0	0	0	111.9	L128 N132 R133	L128-T130 VanDerWaalsContact C-N 3.28Å; L128-T130 PolarHBondContact O-N 2.99Å; T130-N132 PolarHBondContact O-N 3.42Å; T130-R133 HydrophobicContact CG2-CG 4.39Å
131	K	54.4	Low	72.6	Confident	160 Å²	160	74.3 Å²	74.3	70%	0.696	37%	0.371	S	S	*	.			trans	-64.9	-35.2	-176.8	-65.9	-171.7	176.7	-171.7	0	115.3	L129 R133	L129-K131 PolarHBondContact O-N 3.4Å; L129-K131 VanDerWaalsContact O-N 3.1Å; K131-R133 PolarHBondContact O-N 3.17Å
132	N	56	Low	72	Confident	118 Å²	118	74.8 Å²	74.8	63%	0.631	37%	0.372	S	S	*	.			trans	-98.6	73.3	-176.1	-77.1	-14.9	0	0	0	111.6	T130 N134 K138	T130-N132 PolarHBondContact O-N 3.42Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-K138 WeakPolarHBondContact O-CD 2.84Å; N132-K138 PolarHBondContact O-NZ 3.26Å
133	R	61.8	Low	71.7	Confident	68 Å²	68	79.6 Å²	79.6	26%	0.257	40%	0.397	S	S	.	.			trans	-87	9.7	172.1	-71.9	178	178.8	-132.3	-14.9	113.2	L127 T130 K131 S135 K139 D146	L127-R133 VanDerWaalsContact CD1-NH2 3.34Å; L127-R133 PolarHBondContact O-NH2 2.62Å; T130-R133 HydrophobicContact CG2-CG 4.39Å; K131-R133 PolarHBondContact O-N 3.17Å; R133-S135 VanDerWaalsContact C-N 3.28Å; R133-S135 PolarHBondContact O-N 3.18Å; R133-K139 HydrophobicContact CB-CG 4.32Å; R133-K139 WeakPolarHBondContact O-CE 3.3Å; R133-K139 VanDerWaalsContact O-CG 3.27Å; R133-K139 WeakPolarHBondContact O-CG 3.25Å; R133-D146 IonicContact CZ-OD2 3.59Å; R133-D146 IonicContact NH1-OD2 2.71Å; R133-D146 PolarHBondContact NH1-OD2 3.31Å; R133-D146 VanDerWaalsContact NH1-OD2 3.1Å; R133-D146 IonicContact NH2-OD1 3.12Å; R133-D146 IonicContact NH2-OD2 3.87Å; R133-D146 PolarHBondContact NH2-OD2 3.46Å
134	N	59.4	Low	71.9	Confident	149 Å²	149	81.3 Å²	81.3	80%	0.797	41%	0.412	S	S	*	.			trans	-68.7	-22.5	-169.6	-67	-7.2	0	0	0	114.4	N132	N132-N134 VanDerWaalsContact C-N 3.31Å
135	S	74.5	Confident	72.3	Confident	65 Å²	65	79.9 Å²	79.9	46%	0.455	41%	0.406	S	S	.	.	S	Bend	trans	-81	126.6	174.4	170.4	0	0	0	0	111.2	R133 L137 K138 K139	R133-S135 VanDerWaalsContact C-N 3.28Å; R133-S135 PolarHBondContact O-N 3.18Å; S135-L137 PolarHBondContact O-N 3.37Å; S135-L137 PolarHBondContact OG-N 2.95Å; S135-K138 PolarHBondContact O-N 2.82Å; S135-K138 VanDerWaalsContact O-N 3.08Å; S135-K139 PolarHBondContact O-N 2.98Å
136	L	76.8	Confident	72.7	Confident	130 Å²	130	80.7 Å²	80.7	68%	0.681	41%	0.41	S	S	*	.	H	α-helix	trans	-54.3	-41	175.3	-170.2	77.1	0	0	0	111.7	K138 K139 L140	L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 3.01Å; L136-K139 WeakPolarHBondContact O-CB 3.07Å; L136-K139 PolarHBondContact O-N 3.16Å; L136-L140 HydrophobicContact CG-CD1 4.32Å; L136-L140 WeakPolarHBondContact O-CG 3.21Å; L136-L140 PolarHBondContact O-N 2.89Å
137	L	78.6	Confident	73.6	Confident	140 Å²	140	86.1 Å²	86.1	73%	0.733	43%	0.429	S	S	*	.	H	α-helix	trans	-60.6	-42.2	178.7	-163.7	86.3	0	0	0	111.4	S135 L140 Y141	S135-L137 PolarHBondContact O-N 3.37Å; S135-L137 PolarHBondContact OG-N 2.95Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-Y141 WeakPolarHBondContact O-CB 3.36Å; L137-Y141 PolarHBondContact O-N 3.49Å
138	K	76.1	Confident	74.6	Confident	86 Å²	86	86.8 Å²	86.8	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-71.2	-34.3	179.4	-167.1	170.7	175.4	-173.7	0	111.9	N132 S135 L136 R142	N132-K138 WeakPolarHBondContact O-CD 2.84Å; N132-K138 PolarHBondContact O-NZ 3.26Å; S135-K138 PolarHBondContact O-N 2.82Å; S135-K138 VanDerWaalsContact O-N 3.08Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 3.01Å; K138-R142 WeakPolarHBondContact O-CB 3.38Å; K138-R142 WeakPolarHBondContact O-CG 3.39Å; K138-R142 PolarHBondContact O-N 2.9Å
139	K	76.1	Confident	75.4	Confident	108 Å²	108	83.5 Å²	83.5	47%	0.47	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-52.2	170.5	-74.5	178.3	172.5	177	0	110.7	R133 S135 L136 Y141 R142 L143	R133-K139 HydrophobicContact CB-CG 4.32Å; R133-K139 WeakPolarHBondContact O-CE 3.3Å; R133-K139 VanDerWaalsContact O-CG 3.27Å; R133-K139 WeakPolarHBondContact O-CG 3.25Å; S135-K139 PolarHBondContact O-N 2.98Å; L136-K139 WeakPolarHBondContact O-CB 3.07Å; L136-K139 PolarHBondContact O-N 3.16Å; K139-Y141 VanDerWaalsContact C-N 3.33Å; K139-Y141 PolarHBondContact O-N 3.25Å; K139-R142 PolarHBondContact O-N 3.2Å; K139-L143 WeakPolarHBondContact O-CG 3.33Å; K139-L143 PolarHBondContact O-N 3.11Å
140	L	80.3	Confident	76.4	Confident	102 Å²	102	82 Å²	82	53%	0.534	41%	0.405	S	S	.	.	H	α-helix	trans	-59.1	-42.4	179.5	-72	169.7	0	0	0	112.3	L136 L137 R142 L143 P144	L136-L140 HydrophobicContact CG-CD1 4.32Å; L136-L140 WeakPolarHBondContact O-CG 3.21Å; L136-L140 PolarHBondContact O-N 2.89Å; L137-L140 PolarHBondContact O-N 3.05Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 2.92Å; L140-L143 HydrophobicContact CD2-CD1 4.04Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-P144 VanDerWaalsContact O-CD 3.26Å; L140-P144 WeakPolarHBondContact O-CD 3.4Å
141	Y	82.5	Confident	77.7	Confident	72 Å²	72	84.4 Å²	84.4	28%	0.282	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-37.1	174.1	166.3	-102.1	0	0	0	113.1	M73 L76 L137 K139 P144 I145	M73-Y141 WeakPolarHBondContact CA-OH 3.41Å; M73-Y141 HydrophobicContact CG-CE2 4.43Å; L76-Y141 HydrophobicContact CB-CE2 4.38Å; L76-Y141 PolarHBondContact N-OH 2.93Å; L137-Y141 WeakPolarHBondContact O-CB 3.36Å; L137-Y141 PolarHBondContact O-N 3.49Å; K139-Y141 VanDerWaalsContact C-N 3.33Å; K139-Y141 PolarHBondContact O-N 3.25Å; Y141-P144 WeakPolarHBondContact O-CD 3.41Å; Y141-I145 HydrophobicContact CE1-CD1 3.93Å; Y141-I145 HydrophobicContact CE2-CD1 4.22Å
142	R	82.9	Confident	79.5	Confident	12 Å²	12	76.8 Å²	76.8	5%	0.045	38%	0.383	C	S	.	.	H	α-helix	trans	-81.6	-27.7	-178.9	-78.3	-64	-59.2	-156.1	-6.6	113.9	D126 K138 K139 L140 I145 D146	D126-R142 IonicContact OD2-CZ 3.86Å; D126-R142 IonicContact OD2-NH1 3.48Å; D126-R142 PolarHBondContact OD2-NH1 3.37Å; D126-R142 IonicContact OD2-NH2 3.72Å; D126-R142 PolarHBondContact OD2-NH2 3.48Å; K138-R142 WeakPolarHBondContact O-CB 3.38Å; K138-R142 WeakPolarHBondContact O-CG 3.39Å; K138-R142 PolarHBondContact O-N 2.9Å; K139-R142 PolarHBondContact O-N 3.2Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 2.92Å; R142-I145 WeakPolarHBondContact O-CA 3.36Å; R142-I145 WeakPolarHBondContact O-CB 3.19Å; R142-I145 PolarHBondContact O-N 2.74Å; R142-D146 IonicContact CZ-OD1 3.33Å; R142-D146 IonicContact NE-OD1 2.68Å; R142-D146 PolarHBondContact NE-OD1 3.06Å; R142-D146 IonicContact NH2-OD1 3.35Å; R142-D146 PolarHBondContact NH2-OD1 3.1Å; R142-D146 WeakPolarHBondContact O-CB 3.37Å; R142-D146 VanDerWaalsContact O-CG 3.27Å; R142-D146 PolarHBondContact O-N 3.5Å
143	L	83.5	Confident	81.1	Confident	106 Å²	106	71.2 Å²	71.2	56%	0.555	35%	0.354	S	S	*	.	H	α-helix	trans	-47.1	-51.6	-179.5	-79.1	174.8	0	0	0	114.4	K139 L140 I145 Y147	K139-L143 WeakPolarHBondContact O-CG 3.33Å; K139-L143 PolarHBondContact O-N 3.11Å; L140-L143 HydrophobicContact CD2-CD1 4.04Å; L140-L143 PolarHBondContact O-N 3.43Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.12Å; L143-Y147 WeakPolarHBondContact O-CB 3.4Å; L143-Y147 PolarHBondContact O-N 2.83Å
144	P	84.4	Confident	82.5	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-35.7	179	25.8	-34.2	0	0	0	112.5	L140 Y141 Y147 I148	L140-P144 VanDerWaalsContact O-CD 3.26Å; L140-P144 WeakPolarHBondContact O-CD 3.4Å; Y141-P144 WeakPolarHBondContact O-CD 3.41Å; P144-Y147 PolarHBondContact O-N 3.24Å; P144-I148 WeakPolarHBondContact O-CB 3.49Å; P144-I148 VanDerWaalsContact O-CG1 3.23Å; P144-I148 WeakPolarHBondContact O-CG1 3.24Å; P144-I148 PolarHBondContact O-N 3.37Å
145	I	84.7	Confident	84.2	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-47.6	179	-63.5	178.2	0	0	0	110.3	A75 Y79 Y141 R142 L143 Y147 I148 E149	A75-I145 HydrophobicContact CB-CD1 4Å; Y79-I145 HydrophobicContact CE1-CG2 4.04Å; Y79-I145 HydrophobicContact CE2-CG2 3.96Å; Y79-I145 WeakPolarHBondContact OH-CG2 3.22Å; Y141-I145 HydrophobicContact CE1-CD1 3.93Å; Y141-I145 HydrophobicContact CE2-CD1 4.22Å; R142-I145 WeakPolarHBondContact O-CA 3.36Å; R142-I145 WeakPolarHBondContact O-CB 3.19Å; R142-I145 PolarHBondContact O-N 2.74Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.12Å; I145-Y147 VanDerWaalsContact C-N 3.33Å; I145-Y147 PolarHBondContact O-N 3.34Å; I145-I148 PolarHBondContact O-N 2.75Å; I145-E149 WeakPolarHBondContact O-CB 3.26Å; I145-E149 PolarHBondContact O-N 2.93Å
146	D	83.4	Confident	85.1	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-40.2	179.2	-67.8	-1.1	0	0	0	110.6	L127 R133 R142 E149 Q150	L127-D146 HydrophobicContact CD1-CB 3.6Å; L127-D146 WeakPolarHBondContact CD1-OD2 3.44Å; R133-D146 IonicContact CZ-OD2 3.59Å; R133-D146 IonicContact NH1-OD2 2.71Å; R133-D146 PolarHBondContact NH1-OD2 3.31Å; R133-D146 VanDerWaalsContact NH1-OD2 3.1Å; R133-D146 IonicContact NH2-OD1 3.12Å; R133-D146 IonicContact NH2-OD2 3.87Å; R133-D146 PolarHBondContact NH2-OD2 3.46Å; R142-D146 IonicContact CZ-OD1 3.33Å; R142-D146 IonicContact NE-OD1 2.68Å; R142-D146 PolarHBondContact NE-OD1 3.06Å; R142-D146 IonicContact NH2-OD1 3.35Å; R142-D146 PolarHBondContact NH2-OD1 3.1Å; R142-D146 WeakPolarHBondContact O-CB 3.37Å; R142-D146 VanDerWaalsContact O-CG 3.27Å; R142-D146 PolarHBondContact O-N 3.5Å; D146-E149 PolarHBondContact O-N 3.33Å; D146-Q150 PolarHBondContact O-N 3.35Å
147	Y	85.6	Confident	86	Confident	153 Å²	153	57.1 Å²	57.1	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-63.6	-45.7	174.5	177.2	-100.8	0	0	0	112.1	L143 P144 I145 E149 Q150 L151	L143-Y147 WeakPolarHBondContact O-CB 3.4Å; L143-Y147 PolarHBondContact O-N 2.83Å; P144-Y147 PolarHBondContact O-N 3.24Å; I145-Y147 VanDerWaalsContact C-N 3.33Å; I145-Y147 PolarHBondContact O-N 3.34Å; Y147-E149 VanDerWaalsContact C-N 3.33Å; Y147-E149 PolarHBondContact O-N 3.35Å; Y147-Q150 PolarHBondContact O-N 3.41Å; Y147-L151 HydrophobicContact CE1-CD2 4.35Å; Y147-L151 WeakPolarHBondContact O-CB 3.29Å; Y147-L151 PolarHBondContact O-N 2.77Å
148	I	88	Confident	86.8	Confident	58 Å²	58	50.6 Å²	50.6	30%	0.297	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-42.6	176.2	-70.5	167.4	0	0	0	110.3	Y79 A106 I109 P144 I145 L151 S152	Y79-I148 HydrophobicContact CE1-CG2 4.04Å; A106-I148 HydrophobicContact CB-CG2 3.75Å; I109-I148 HydrophobicContact CD1-CG2 4.11Å; P144-I148 WeakPolarHBondContact O-CB 3.49Å; P144-I148 VanDerWaalsContact O-CG1 3.23Å; P144-I148 WeakPolarHBondContact O-CG1 3.24Å; P144-I148 PolarHBondContact O-N 3.37Å; I145-I148 PolarHBondContact O-N 2.75Å; I148-L151 PolarHBondContact O-N 2.99Å; I148-S152 WeakPolarHBondContact O-CB 3.41Å; I148-S152 PolarHBondContact O-N 3.29Å; I148-S152 PolarHBondContact O-OG 3.34Å
149	E	86.5	Confident	87.7	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-50.5	177.2	-174.2	-171.9	-178.3	0	0	110.8	S105 D126 L127 I145 D146 Y147 L151 S152 T153 F174	S105-E149 PolarHBondContact OG-O 2.77Å; D126-E149 WeakPolarHBondContact CB-OE1 3.3Å; D126-E149 PolarHBondContact N-OE1 2.82Å; L127-E149 PolarHBondContact N-OE2 2.93Å; I145-E149 WeakPolarHBondContact O-CB 3.26Å; I145-E149 PolarHBondContact O-N 2.93Å; D146-E149 PolarHBondContact O-N 3.33Å; Y147-E149 VanDerWaalsContact C-N 3.33Å; Y147-E149 PolarHBondContact O-N 3.35Å; E149-L151 PolarHBondContact O-N 3.06Å; E149-S152 PolarHBondContact O-OG 3.25Å; E149-T153 WeakPolarHBondContact O-CB 3.46Å; E149-T153 PolarHBondContact O-N 2.68Å; E149-T153 PolarHBondContact O-OG1 3.07Å; E149-F174 HydrophobicContact CG-CZ 4.37Å
150	Q	87.2	Confident	88.7	Confident	66 Å²	66	41.4 Å²	41.4	31%	0.308	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-45.8	179	-177.9	172.1	8.2	0	0	112	D146 Y147 G154 F174 S176 L177	D146-Q150 PolarHBondContact O-N 3.35Å; Y147-Q150 PolarHBondContact O-N 3.41Å; Q150-G154 PolarHBondContact O-N 3.24Å; Q150-G154 VanDerWaalsContact O-N 3.16Å; Q150-F174 HydrophobicContact CB-CD1 4.02Å; Q150-F174 HydrophobicContact CB-CE1 4.03Å; Q150-F174 HydrophobicContact CG-CD1 3.85Å; Q150-F174 HydrophobicContact CG-CE1 4.39Å; Q150-S176 PolarHBondContact NE2-OG 2.8Å; Q150-L177 HydrophobicContact CG-CD1 4.49Å; Q150-L177 WeakPolarHBondContact O-CD1 3.5Å
151	L	90.2	Very high	89.3	Confident	77 Å²	77	36.5 Å²	36.5	40%	0.403	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-54.1	178.9	177.2	65.6	0	0	0	111.2	I109 Y147 I148 E149 T153 G154 M155	I109-L151 HydrophobicContact CD1-CD2 4.23Å; Y147-L151 HydrophobicContact CE1-CD2 4.35Å; Y147-L151 WeakPolarHBondContact O-CB 3.29Å; Y147-L151 PolarHBondContact O-N 2.77Å; I148-L151 PolarHBondContact O-N 2.99Å; E149-L151 PolarHBondContact O-N 3.06Å; L151-T153 PolarHBondContact O-N 2.92Å; L151-G154 WeakPolarHBondContact O-CA 3.46Å; L151-G154 PolarHBondContact O-N 3.36Å; L151-G154 VanDerWaalsContact O-N 3.12Å; L151-M155 HydrophobicContact CG-SD 4.31Å; L151-M155 WeakPolarHBondContact O-CG 3.38Å; L151-M155 PolarHBondContact O-N 3.08Å
152	S	92.2	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-38	-174.2	60.9	0	0	0	0	112.8	S105 A106 I108 I148 E149 G154 M155	S105-S152 WeakPolarHBondContact CB-OG 3.26Å; S105-S152 VanDerWaalsContact O-CB 3.25Å; S105-S152 WeakPolarHBondContact O-CB 3.35Å; S105-S152 PolarHBondContact O-OG 2.75Å; S105-S152 PolarHBondContact OG-OG 3.1Å; A106-S152 PolarHBondContact N-OG 2.8Å; I108-S152 WeakPolarHBondContact CG2-O 3.34Å; I148-S152 WeakPolarHBondContact O-CB 3.41Å; I148-S152 PolarHBondContact O-N 3.29Å; I148-S152 PolarHBondContact O-OG 3.34Å; E149-S152 PolarHBondContact O-OG 3.25Å; S152-G154 VanDerWaalsContact C-N 3.27Å; S152-G154 PolarHBondContact O-N 3.35Å; S152-M155 PolarHBondContact O-N 2.96Å; S152-M155 VanDerWaalsContact O-N 3.14Å
153	T	89.6	Confident	90.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-37.5	172.4	-54	0	0	0	0	111.3	S105 F120 E149 L151 M155 A156 V159 F170 L177	S105-T153 WeakPolarHBondContact CB-OG1 3.25Å; S105-T153 PolarHBondContact OG-OG1 2.79Å; F120-T153 HydrophobicContact CD1-CG2 3.9Å; F120-T153 HydrophobicContact CE1-CG2 4.1Å; E149-T153 WeakPolarHBondContact O-CB 3.46Å; E149-T153 PolarHBondContact O-N 2.68Å; E149-T153 PolarHBondContact O-OG1 3.07Å; L151-T153 PolarHBondContact O-N 2.92Å; T153-M155 PolarHBondContact O-N 2.69Å; T153-A156 PolarHBondContact O-N 2.9Å; T153-V159 HydrophobicContact CG2-CG2 4.15Å; T153-F170 HydrophobicContact CG2-CE2 3.56Å; T153-F170 HydrophobicContact CG2-CZ 3.57Å; T153-L177 HydrophobicContact CG2-CD1 4.22Å
154	G	90.3	Very high	90.8	Very high	14 Å²	14	33.5 Å²	33.5	14%	0.144	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-20.7	175.5	0	0	0	0	0	115	Q150 L151 S152 L177	Q150-G154 PolarHBondContact O-N 3.24Å; Q150-G154 VanDerWaalsContact O-N 3.16Å; L151-G154 WeakPolarHBondContact O-CA 3.46Å; L151-G154 PolarHBondContact O-N 3.36Å; L151-G154 VanDerWaalsContact O-N 3.12Å; S152-G154 VanDerWaalsContact C-N 3.27Å; S152-G154 PolarHBondContact O-N 3.35Å; G154-L177 VanDerWaalsContact CA-CD2 3.46Å
155	M	94.3	Very high	91.1	Very high	63 Å²	63	31.8 Å²	31.8	31%	0.31	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.4	-179.1	-67.5	175.1	67.7	0	0	113.6	I108 I109 R112 L151 S152 T153	I108-M155 HydrophobicContact CG2-CB 3.9Å; I109-M155 HydrophobicContact CB-SD 4.31Å; I109-M155 HydrophobicContact CG1-SD 3.81Å; I109-M155 HydrophobicContact CG2-CE 4.42Å; I109-M155 HydrophobicContact CG2-SD 4.43Å; R112-M155 HydrophobicContact CB-CE 3.88Å; R112-M155 HydrophobicContact CG-CB 4.25Å; R112-M155 WeakPolarHBondContact CG-O 3.46Å; R112-M155 PolarHBondContact NE-O 3.43Å; L151-M155 HydrophobicContact CG-SD 4.31Å; L151-M155 WeakPolarHBondContact O-CG 3.38Å; L151-M155 PolarHBondContact O-N 3.08Å; S152-M155 PolarHBondContact O-N 2.96Å; S152-M155 VanDerWaalsContact O-N 3.14Å; T153-M155 PolarHBondContact O-N 2.69Å
156	A	94.8	Very high	91.4	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	15%	0.151	C	C	.	.			trans	-64.7	142.4	179.1	0	0	0	0	0	111.4	I108 T118 F120 T153 V159	I108-A156 HydrophobicContact CD1-CB 4.12Å; I108-A156 HydrophobicContact CG2-CB 4.41Å; T118-A156 WeakPolarHBondContact OG1-CA 3.28Å; F120-A156 HydrophobicContact CB-CB 3.93Å; T153-A156 PolarHBondContact O-N 2.9Å; A156-V159 HydrophobicContact CB-CG2 3.87Å
157	D	94.8	Very high	91.8	Very high	29 Å²	29	31.6 Å²	31.6	16%	0.155	15%	0.153	C	C	.	.	S	Bend	trans	-68.5	-40.4	176	-60.4	-77.8	0	0	0	111.1	R112 T118 L427	R112-D157 IonicContact CZ-OD1 2.6Å; R112-D157 IonicContact CZ-OD2 3.61Å; R112-D157 IonicContact NE-OD1 3.45Å; R112-D157 IonicContact NE-OD2 3.07Å; R112-D157 VanDerWaalsContact NH1-CG 3.33Å; R112-D157 IonicContact NH1-OD1 3.35Å; R112-D157 PolarHBondContact NH1-OD1 2.71Å; R112-D157 IonicContact NH1-OD2 3.66Å; R112-D157 PolarHBondContact NH1-OD2 3.29Å; R112-D157 IonicContact NH2-OD1 3.43Å; R112-D157 PolarHBondContact NH2-OD1 2.85Å; R112-D157 IonicContact NH2-OD2 3.72Å; T118-D157 PolarHBondContact N-OD2 3.49Å; T118-D157 WeakPolarHBondContact O-CB 3.38Å; T118-D157 PolarHBondContact O-N 3.31Å; T118-D157 VanDerWaalsContact O-N 3.08Å; T118-D157 PolarHBondContact OG1-N 3.16Å; T118-D157 PolarHBondContact OG1-OD2 2.81Å; T118-D157 VanDerWaalsContact OG1-OD2 3.11Å; D157-L427 HydrophobicContact CB-CD1 3.59Å; D157-L427 HydrophobicContact CB-CD2 4.42Å
158	I	95.4	Very high	92.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.4	175.5	-56.9	177.6	0	0	0	108.6	T118 I119 F120 L160 R183 I423 L427	T118-I158 PolarHBondContact O-N 2.88Å; I119-I158 WeakPolarHBondContact CA-O 3.43Å; I119-I158 HydrophobicContact CG1-CB 4.3Å; F120-I158 PolarHBondContact N-O 3.11Å; I158-L160 HydrophobicContact CG2-CD2 3.84Å; I158-R183 HydrophobicContact CG2-CB 4.24Å; I158-R183 HydrophobicContact CG2-CG 3.94Å; I158-I423 HydrophobicContact CD1-CG2 3.96Å; I158-I423 HydrophobicContact CG2-CG2 4.35Å; I158-L427 HydrophobicContact CD1-CB 3.99Å; I158-L427 HydrophobicContact CD1-CD1 4.46Å; I158-L427 HydrophobicContact CD1-CD2 4.41Å
159	V	95.6	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.5	167.6	175.9	0	0	0	0	109.2	F120 C122 T153 A156 F170 V180 Q181 L182 R183	F120-V159 HydrophobicContact CB-CG2 4.27Å; F120-V159 HydrophobicContact CD1-CG1 4.25Å; F120-V159 HydrophobicContact CD1-CG2 4.49Å; F120-V159 CarbonylContact O-C 3.49Å; F120-V159 WeakPolarHBondContact O-CA 2.98Å; C122-V159 HydrophobicContact CB-CG1 4.02Å; T153-V159 HydrophobicContact CG2-CG2 4.15Å; A156-V159 HydrophobicContact CB-CG2 3.87Å; V159-F170 HydrophobicContact CG1-CE2 3.93Å; V159-F170 HydrophobicContact CG1-CZ 4.23Å; V159-V180 HydrophobicContact CB-CG1 3.93Å; V159-V180 HydrophobicContact CG2-CG1 3.4Å; V159-V180 VanDerWaalsContact CG2-CG1 3.4Å; V159-Q181 PolarHBondContact N-O 3.02Å; V159-L182 HydrophobicContact CB-CD2 3.7Å; V159-L182 HydrophobicContact CG1-CD2 3.54Å; V159-L182 WeakPolarHBondContact O-CA 3.28Å; V159-R183 PolarHBondContact O-N 3.19Å
160	L	96.1	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.5	174.2	-58.4	-175.1	0	0	0	110.9	F100 I119 F120 Y121 C122 I158 R183 L185 I423	F100-L160 HydrophobicContact CE1-CD1 3.84Å; I119-L160 HydrophobicContact CG2-CD1 3.59Å; I119-L160 HydrophobicContact CG2-CD2 4.41Å; I119-L160 HydrophobicContact CG2-CG 3.57Å; F120-L160 PolarHBondContact O-N 3.42Å; Y121-L160 HydrophobicContact CD2-CB 3.4Å; Y121-L160 VanDerWaalsContact CD2-CB 3.4Å; Y121-L160 HydrophobicContact CD2-CD1 3.74Å; Y121-L160 HydrophobicContact CD2-CG 4.19Å; Y121-L160 HydrophobicContact CE2-CB 3.7Å; Y121-L160 HydrophobicContact CE2-CD1 4.19Å; Y121-L160 HydrophobicContact CG-CB 4.02Å; C122-L160 PolarHBondContact N-O 3.32Å; I158-L160 HydrophobicContact CG2-CD2 3.84Å; L160-R183 VanDerWaalsContact CA-O 3.31Å; L160-R183 WeakPolarHBondContact CA-O 3.43Å; L160-R183 HydrophobicContact CD2-CB 3.67Å; L160-L185 HydrophobicContact CD1-CD2 4.08Å; L160-I423 HydrophobicContact CD2-CD1 3.82Å; L160-I423 HydrophobicContact CD2-CG2 4.1Å
161	V	94	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.7	173.5	-67	0	0	0	0	109.9	C122 S163 T166 L182 R183 I184 L185	C122-V161 HydrophobicContact CB-CG1 4.24Å; V161-S163 VanDerWaalsContact C-N 3.33Å; V161-S163 PolarHBondContact O-N 3.19Å; V161-T166 HydrophobicContact CB-CG2 4.04Å; V161-T166 HydrophobicContact CG1-CG2 4.05Å; V161-L182 HydrophobicContact CG1-CD2 4.02Å; V161-R183 PolarHBondContact N-O 3.17Å; V161-I184 HydrophobicContact CG2-CG1 3.83Å; V161-I184 CarbonylContact O-C 3.52Å; V161-I184 WeakPolarHBondContact O-CA 3.23Å; V161-L185 PolarHBondContact O-N 2.79Å
162	N	92.4	Very high	92.3	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.064	15%	0.149	C	C	.	.	S	Bend	trans	-80.1	-10.4	-175	59	5.2	0	0	0	114.8	Y121 H123 T166 Y186 P187 F335	Y121-N162 HydrophobicContact CE1-CB 4.41Å; Y121-N162 VanDerWaalsContact OH-CA 3.31Å; Y121-N162 WeakPolarHBondContact OH-CA 3.47Å; Y121-N162 WeakPolarHBondContact OH-CB 3.34Å; H123-N162 PolarHBondContact O-ND2 3.34Å; N162-T166 WeakPolarHBondContact OD1-CB 3.46Å; N162-T166 PolarHBondContact OD1-OG1 3.18Å; N162-Y186 WeakPolarHBondContact O-CD1 3.28Å; N162-P187 HydrophobicContact CB-CG 3.73Å; N162-P187 WeakPolarHBondContact O-CD 3.41Å; N162-F335 WeakPolarHBondContact O-CD2 3.42Å
163	S	92.8	Very high	91.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-164.3	162.1	-175.6	70.7	0	0	0	0	111.4	V161 F165 T166 S167 H334 E359	V161-S163 VanDerWaalsContact C-N 3.33Å; V161-S163 PolarHBondContact O-N 3.19Å; S163-F165 PolarHBondContact O-N 3.26Å; S163-F165 PolarHBondContact OG-N 3.32Å; S163-T166 PolarHBondContact O-N 2.93Å; S163-T166 PolarHBondContact OG-N 3.35Å; S163-T166 PolarHBondContact OG-OG1 2.89Å; S163-T166 VanDerWaalsContact OG-OG1 3.1Å; S163-S167 PolarHBondContact O-N 3.49Å; S163-H334 VanDerWaalsContact CB-O 3.25Å; S163-H334 WeakPolarHBondContact CB-O 3.47Å; S163-H334 PolarHBondContact OG-O 3.31Å; S163-E359 VanDerWaalsContact CB-OE1 3.26Å; S163-E359 WeakPolarHBondContact CB-OE1 3.39Å
164	K	93.7	Very high	91.6	Very high	115 Å²	115	31.9 Å²	31.9	50%	0.5	16%	0.159	S	C	.	.	H	α-helix	trans	-62.2	-34.5	166.7	-64.7	168.5	-174.7	-179.9	0	111.1	S167 N168 I184 E359	K164-S167 VanDerWaalsContact O-CB 3.3Å; K164-S167 WeakPolarHBondContact O-CB 3.29Å; K164-S167 PolarHBondContact O-N 3.46Å; K164-N168 VanDerWaalsContact O-CG 3.31Å; K164-N168 PolarHBondContact O-N 2.94Å; K164-I184 HydrophobicContact CB-CD1 4.26Å; K164-I184 HydrophobicContact CG-CD1 3.39Å; K164-E359 WeakPolarHBondContact CA-OE1 3.48Å; K164-E359 VanDerWaalsContact CB-CD 3.41Å; K164-E359 HydrophobicContact CB-CG 4.38Å; K164-E359 WeakPolarHBondContact CB-OE1 3.4Å; K164-E359 VanDerWaalsContact CB-OE2 3.22Å; K164-E359 WeakPolarHBondContact CB-OE2 3.23Å; K164-E359 HydrophobicContact CD-CG 4.31Å; K164-E359 WeakPolarHBondContact CD-OE2 3.48Å; K164-E359 WeakPolarHBondContact CG-OE2 3.48Å; K164-E359 PolarHBondContact N-OE1 2.9Å; K164-E359 PolarHBondContact N-OE2 3.07Å
165	F	91.9	Very high	91.2	Very high	36 Å²	36	35.8 Å²	35.8	16%	0.158	18%	0.18	C	C	.	.	H	α-helix	trans	-56.4	-52.4	173.7	172.9	-100.2	0	0	0	111.1	F124 S163 S167 N168 I169 K332 E359	F124-F165 HydrophobicContact CE2-CE1 4.36Å; S163-F165 PolarHBondContact O-N 3.26Å; S163-F165 PolarHBondContact OG-N 3.32Å; F165-S167 VanDerWaalsContact C-N 3.29Å; F165-S167 PolarHBondContact O-N 2.82Å; F165-N168 PolarHBondContact O-N 3.38Å; F165-N168 VanDerWaalsContact O-N 3.15Å; F165-I169 HydrophobicContact CD1-CG1 4.29Å; F165-I169 HydrophobicContact CD2-CG1 4.38Å; F165-I169 HydrophobicContact CE1-CG1 3.84Å; F165-I169 HydrophobicContact CE2-CD1 4.04Å; F165-I169 HydrophobicContact CE2-CG1 3.94Å; F165-I169 HydrophobicContact CZ-CD1 3.9Å; F165-I169 HydrophobicContact CZ-CG1 3.65Å; F165-I169 WeakPolarHBondContact O-CG1 3.43Å; F165-I169 PolarHBondContact O-N 3.29Å; F165-K332 HydrophobicContact CE2-CB 4.36Å; F165-K332 HydrophobicContact CE2-CG 4.43Å; F165-K332 HydrophobicContact CZ-CB 3.82Å; F165-K332 HydrophobicContact CZ-CG 4.31Å; F165-E359 PolarHBondContact N-OE1 3.34Å
166	T	90.4	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-35	178.1	-58.2	0	0	0	0	111.6	F124 V161 N162 S163 N168 I169 F170	F124-T166 HydrophobicContact CD2-CG2 4.43Å; V161-T166 HydrophobicContact CB-CG2 4.04Å; V161-T166 HydrophobicContact CG1-CG2 4.05Å; N162-T166 WeakPolarHBondContact OD1-CB 3.46Å; N162-T166 PolarHBondContact OD1-OG1 3.18Å; S163-T166 PolarHBondContact O-N 2.93Å; S163-T166 PolarHBondContact OG-N 3.35Å; S163-T166 PolarHBondContact OG-OG1 2.89Å; S163-T166 VanDerWaalsContact OG-OG1 3.1Å; T166-N168 PolarHBondContact O-N 2.97Å; T166-I169 PolarHBondContact O-N 3.49Å; T166-F170 VanDerWaalsContact O-CB 3.27Å; T166-F170 WeakPolarHBondContact O-CB 3.4Å; T166-F170 PolarHBondContact O-N 3.36Å
167	S	92.9	Very high	90.2	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-47	171.6	-168.1	0	0	0	0	112.4	S163 K164 F165 F170 R171	S163-S167 PolarHBondContact O-N 3.49Å; K164-S167 VanDerWaalsContact O-CB 3.3Å; K164-S167 WeakPolarHBondContact O-CB 3.29Å; K164-S167 PolarHBondContact O-N 3.46Å; F165-S167 VanDerWaalsContact C-N 3.29Å; F165-S167 PolarHBondContact O-N 2.82Å; S167-F170 WeakPolarHBondContact O-CB 3.5Å; S167-F170 PolarHBondContact O-N 3.44Å; S167-R171 WeakPolarHBondContact O-CG 3.42Å; S167-R171 PolarHBondContact O-N 3.32Å
168	N	91.9	Very high	89.6	Confident	96 Å²	96	39.6 Å²	39.6	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-65.7	-46.7	179	-68.4	-15.2	0	0	0	111	K164 F165 T166 F170 R171 E172	K164-N168 VanDerWaalsContact O-CG 3.31Å; K164-N168 PolarHBondContact O-N 2.94Å; F165-N168 PolarHBondContact O-N 3.38Å; F165-N168 VanDerWaalsContact O-N 3.15Å; T166-N168 PolarHBondContact O-N 2.97Å; N168-F170 PolarHBondContact O-N 3.01Å; N168-R171 PolarHBondContact O-N 3.19Å; N168-R171 VanDerWaalsContact O-N 3.12Å; N168-E172 WeakPolarHBondContact O-CG 3.5Å; N168-E172 PolarHBondContact O-N 3.34Å
169	I	88.7	Confident	88.9	Confident	27 Å²	27	46 Å²	46	14%	0.138	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-40	175.6	-64.5	-61.5	0	0	0	111.1	F124 P125 L128 F165 T166 E172 T173	F124-I169 HydrophobicContact CE2-CB 4.4Å; F124-I169 HydrophobicContact CE2-CG1 4.45Å; F124-I169 HydrophobicContact CE2-CG2 3.8Å; F124-I169 HydrophobicContact CZ-CG2 3.98Å; P125-I169 HydrophobicContact CG-CG2 4.42Å; L128-I169 HydrophobicContact CD1-CG2 3.27Å; F165-I169 HydrophobicContact CD1-CG1 4.29Å; F165-I169 HydrophobicContact CD2-CG1 4.38Å; F165-I169 HydrophobicContact CE1-CG1 3.84Å; F165-I169 HydrophobicContact CE2-CD1 4.04Å; F165-I169 HydrophobicContact CE2-CG1 3.94Å; F165-I169 HydrophobicContact CZ-CD1 3.9Å; F165-I169 HydrophobicContact CZ-CG1 3.65Å; F165-I169 WeakPolarHBondContact O-CG1 3.43Å; F165-I169 PolarHBondContact O-N 3.29Å; T166-I169 PolarHBondContact O-N 3.49Å; I169-E172 PolarHBondContact O-N 3.3Å; I169-T173 VanDerWaalsContact O-CB 3.24Å; I169-T173 WeakPolarHBondContact O-CB 3.33Å; I169-T173 PolarHBondContact O-N 2.98Å; I169-T173 PolarHBondContact O-OG1 3.28Å
170	F	89.8	Confident	88.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-48.4	175.4	-177.2	-78.6	0	0	0	111.4	T153 V159 T166 S167 N168 E172 T173 F174 L177 L182	T153-F170 HydrophobicContact CG2-CE2 3.56Å; T153-F170 HydrophobicContact CG2-CZ 3.57Å; V159-F170 HydrophobicContact CG1-CE2 3.93Å; V159-F170 HydrophobicContact CG1-CZ 4.23Å; T166-F170 VanDerWaalsContact O-CB 3.27Å; T166-F170 WeakPolarHBondContact O-CB 3.4Å; T166-F170 PolarHBondContact O-N 3.36Å; S167-F170 WeakPolarHBondContact O-CB 3.5Å; S167-F170 PolarHBondContact O-N 3.44Å; N168-F170 PolarHBondContact O-N 3.01Å; F170-E172 PolarHBondContact O-N 3.06Å; F170-T173 PolarHBondContact O-N 2.72Å; F170-F174 HydrophobicContact CD1-CD2 4.27Å; F170-F174 AromaticContact CD2-CD2 3.75Å; F170-F174 HydrophobicContact CD2-CD2 3.75Å; F170-F174 HydrophobicContact CD2-CE2 4.02Å; F170-F174 HydrophobicContact CE1-CB 4.34Å; F170-F174 HydrophobicContact CE1-CD2 4.18Å; F170-F174 AromaticContact CE2-CD2 3.66Å; F170-F174 HydrophobicContact CE2-CD2 3.66Å; F170-F174 AromaticContact CE2-CE2 3.93Å; F170-F174 HydrophobicContact CE2-CE2 3.93Å; F170-F174 HydrophobicContact CG-CD2 4.06Å; F170-F174 AromaticContact CZ-CD2 3.88Å; F170-F174 HydrophobicContact CZ-CD2 3.88Å; F170-F174 PolarHBondContact O-N 2.83Å; F170-L177 HydrophobicContact CE1-CB 4.28Å; F170-L177 HydrophobicContact CE1-CD1 4.42Å; F170-L177 HydrophobicContact CZ-CD1 4.06Å; F170-L182 HydrophobicContact CD1-CD1 3.78Å; F170-L182 HydrophobicContact CD1-CD2 3.96Å; F170-L182 HydrophobicContact CD1-CG 4.36Å; F170-L182 HydrophobicContact CE1-CD1 4.36Å; F170-L182 HydrophobicContact CE1-CD2 4.08Å; F170-L182 HydrophobicContact CG-CD1 4.35Å; F170-L182 HydrophobicContact CG-CD2 4.19Å; F170-L182 HydrophobicContact CZ-CD2 4.39Å
171	R	90.3	Very high	88.1	Confident	74 Å²	74	50.2 Å²	50.2	28%	0.279	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-38.2	179.3	-68	-66.3	-168.4	-157.5	-1.2	112.6	S167 N168 L177 N178 V180 L182	S167-R171 WeakPolarHBondContact O-CG 3.42Å; S167-R171 PolarHBondContact O-N 3.32Å; N168-R171 PolarHBondContact O-N 3.19Å; N168-R171 VanDerWaalsContact O-N 3.12Å; R171-L177 PolarHBondContact NH1-O 2.87Å; R171-N178 PolarHBondContact NH1-O 3.11Å; R171-V180 PolarHBondContact NH1-O 3.38Å; R171-V180 PolarHBondContact NH2-O 2.97Å; R171-L182 HydrophobicContact CG-CD1 3.99Å; R171-L182 VanDerWaalsContact CZ-CD1 3.5Å; R171-L182 VanDerWaalsContact NE-CD1 3.34Å
172	E	87.5	Confident	88	Confident	137 Å²	137	51.6 Å²	51.6	64%	0.64	26%	0.262	S	S	*	.	H	α-helix	trans	-67.2	-37.3	175.6	-72.4	172.7	-167.8	0	0	112	N168 I169 F170	N168-E172 WeakPolarHBondContact O-CG 3.5Å; N168-E172 PolarHBondContact O-N 3.34Å; I169-E172 PolarHBondContact O-N 3.3Å; F170-E172 PolarHBondContact O-N 3.06Å
173	T	83.5	Confident	88.2	Confident	32 Å²	32	53.7 Å²	53.7	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-78.4	-45.3	-177.8	-56.7	0	0	0	0	111.9	P125 L127 L128 I169 F170	P125-T173 HydrophobicContact CB-CG2 4.34Å; L127-T173 HydrophobicContact CB-CG2 4.27Å; L127-T173 HydrophobicContact CD2-CG2 3.42Å; L127-T173 VanDerWaalsContact CD2-CG2 3.42Å; L127-T173 HydrophobicContact CG-CG2 4.45Å; L128-T173 HydrophobicContact CG-CG2 4.48Å; I169-T173 VanDerWaalsContact O-CB 3.24Å; I169-T173 WeakPolarHBondContact O-CB 3.33Å; I169-T173 PolarHBondContact O-N 2.98Å; I169-T173 PolarHBondContact O-OG1 3.28Å; F170-T173 PolarHBondContact O-N 2.72Å
174	F	83.7	Confident	88.3	Confident	3 Å²	3	56 Å²	56	1%	0.013	28%	0.282	C	S	.	.			trans	-110.3	65.9	-175	-58.3	-65.4	0	0	0	111.2	P125 E149 Q150 F170 S176 L177	P125-F174 HydrophobicContact CB-CE2 3.78Å; P125-F174 HydrophobicContact CB-CZ 4.1Å; P125-F174 HydrophobicContact CG-CE2 3.99Å; E149-F174 HydrophobicContact CG-CZ 4.37Å; Q150-F174 HydrophobicContact CB-CD1 4.02Å; Q150-F174 HydrophobicContact CB-CE1 4.03Å; Q150-F174 HydrophobicContact CG-CD1 3.85Å; Q150-F174 HydrophobicContact CG-CE1 4.39Å; F170-F174 HydrophobicContact CD1-CD2 4.27Å; F170-F174 AromaticContact CD2-CD2 3.75Å; F170-F174 HydrophobicContact CD2-CD2 3.75Å; F170-F174 HydrophobicContact CD2-CE2 4.02Å; F170-F174 HydrophobicContact CE1-CB 4.34Å; F170-F174 HydrophobicContact CE1-CD2 4.18Å; F170-F174 AromaticContact CE2-CD2 3.66Å; F170-F174 HydrophobicContact CE2-CD2 3.66Å; F170-F174 AromaticContact CE2-CE2 3.93Å; F170-F174 HydrophobicContact CE2-CE2 3.93Å; F170-F174 HydrophobicContact CG-CD2 4.06Å; F170-F174 AromaticContact CZ-CD2 3.88Å; F170-F174 HydrophobicContact CZ-CD2 3.88Å; F170-F174 PolarHBondContact O-N 2.83Å; F174-S176 PolarHBondContact O-N 3.04Å; F174-S176 VanDerWaalsContact O-N 3.12Å; F174-L177 HydrophobicContact CB-CB 4.01Å; F174-L177 HydrophobicContact CB-CD1 3.7Å; F174-L177 HydrophobicContact CB-CG 3.85Å; F174-L177 HydrophobicContact CD1-CD1 4.37Å; F174-L177 HydrophobicContact CG-CD1 4Å; F174-L177 WeakPolarHBondContact O-CB 3.5Å; F174-L177 PolarHBondContact O-N 3.46Å
175	T	80.8	Confident	88.4	Confident	95 Å²	95	50.6 Å²	50.6	58%	0.583	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.1	-175.5	56.4	0	0	0	0	114.1	L177 N178	T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.38Å; T175-N178 PolarHBondContact O-ND2 2.89Å
176	S	83.4	Confident	88.5	Confident	67 Å²	67	51.6 Å²	51.6	47%	0.469	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-76.4	-13.9	175.6	70.5	0	0	0	0	113.8	Q150 F174 H179	Q150-S176 PolarHBondContact NE2-OG 2.8Å; F174-S176 PolarHBondContact O-N 3.04Å; F174-S176 VanDerWaalsContact O-N 3.12Å; S176-H179 PolarHBondContact O-CE1 3.37Å; S176-H179 PolarHBondContact O-ND1 2.94Å
177	L	85.2	Confident	88.6	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-96.8	24.3	-173.8	-59.7	-171.3	0	0	0	113	Q150 T153 G154 F170 R171 F174 T175 H179 V180	Q150-L177 HydrophobicContact CG-CD1 4.49Å; Q150-L177 WeakPolarHBondContact O-CD1 3.5Å; T153-L177 HydrophobicContact CG2-CD1 4.22Å; G154-L177 VanDerWaalsContact CA-CD2 3.46Å; F170-L177 HydrophobicContact CE1-CB 4.28Å; F170-L177 HydrophobicContact CE1-CD1 4.42Å; F170-L177 HydrophobicContact CZ-CD1 4.06Å; R171-L177 PolarHBondContact NH1-O 2.87Å; F174-L177 HydrophobicContact CB-CB 4.01Å; F174-L177 HydrophobicContact CB-CD1 3.7Å; F174-L177 HydrophobicContact CB-CG 3.85Å; F174-L177 HydrophobicContact CD1-CD1 4.37Å; F174-L177 HydrophobicContact CG-CD1 4Å; F174-L177 WeakPolarHBondContact O-CB 3.5Å; F174-L177 PolarHBondContact O-N 3.46Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.38Å; L177-H179 PolarHBondContact O-N 2.95Å; L177-H179 VanDerWaalsContact O-N 3.11Å; L177-V180 HydrophobicContact CB-CG2 3.86Å; L177-V180 HydrophobicContact CD2-CG2 4.34Å; L177-V180 HydrophobicContact CG-CG2 4.49Å; L177-V180 WeakPolarHBondContact O-CB 3.43Å; L177-V180 PolarHBondContact O-N 3.37Å
178	N	80.9	Confident	88.6	Confident	108 Å²	108	53 Å²	53	58%	0.578	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	177.8	-72.9	-23.6	0	0	0	113.8	R171 T175 V180	R171-N178 PolarHBondContact NH1-O 3.11Å; T175-N178 PolarHBondContact O-ND2 2.89Å; N178-V180 VanDerWaalsContact C-N 3.33Å
179	H	81.8	Confident	88.5	Confident	140 Å²	140	48.9 Å²	48.9	65%	0.648	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19	176.9	61.5	-84.1	0	0	0	113.8	S176 L177	S176-H179 PolarHBondContact O-CE1 3.37Å; S176-H179 PolarHBondContact O-ND1 2.94Å; L177-H179 PolarHBondContact O-N 2.95Å; L177-H179 VanDerWaalsContact O-N 3.11Å
180	V	85	Confident	88.4	Confident	6 Å²	6	49.8 Å²	49.8	4%	0.036	25%	0.252	C	S	.	.	S	Bend	trans	-72	133.8	-177.4	179.8	0	0	0	0	110.4	V159 R171 L177 N178 L182	V159-V180 HydrophobicContact CB-CG1 3.93Å; V159-V180 HydrophobicContact CG2-CG1 3.4Å; V159-V180 VanDerWaalsContact CG2-CG1 3.4Å; R171-V180 PolarHBondContact NH1-O 3.38Å; R171-V180 PolarHBondContact NH2-O 2.97Å; L177-V180 HydrophobicContact CB-CG2 3.86Å; L177-V180 HydrophobicContact CD2-CG2 4.34Å; L177-V180 HydrophobicContact CG-CG2 4.49Å; L177-V180 WeakPolarHBondContact O-CB 3.43Å; L177-V180 PolarHBondContact O-N 3.37Å; N178-V180 VanDerWaalsContact C-N 3.33Å; V180-L182 PolarHBondContact O-N 2.91Å
181	Q	89	Confident	88.2	Confident	82 Å²	82	54.8 Å²	54.8	38%	0.383	27%	0.274	S	S	.	.			trans	-76.1	108.6	175.4	-175.3	175.5	-0.2	0	0	110.1	V159 R183	V159-Q181 PolarHBondContact N-O 3.02Å; Q181-R183 HydrophobicContact CG-CG 4.46Å
182	L	93.5	Very high	87.9	Confident	28 Å²	28	57.4 Å²	57.4	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131	171.3	-70.9	171.7	0	0	0	110.2	V159 V161 F170 R171 V180	V159-L182 HydrophobicContact CB-CD2 3.7Å; V159-L182 HydrophobicContact CG1-CD2 3.54Å; V159-L182 WeakPolarHBondContact O-CA 3.28Å; V161-L182 HydrophobicContact CG1-CD2 4.02Å; F170-L182 HydrophobicContact CD1-CD1 3.78Å; F170-L182 HydrophobicContact CD1-CD2 3.96Å; F170-L182 HydrophobicContact CD1-CG 4.36Å; F170-L182 HydrophobicContact CE1-CD1 4.36Å; F170-L182 HydrophobicContact CE1-CD2 4.08Å; F170-L182 HydrophobicContact CG-CD1 4.35Å; F170-L182 HydrophobicContact CG-CD2 4.19Å; F170-L182 HydrophobicContact CZ-CD2 4.39Å; R171-L182 HydrophobicContact CG-CD1 3.99Å; R171-L182 VanDerWaalsContact CZ-CD1 3.5Å; R171-L182 VanDerWaalsContact NE-CD1 3.34Å; V180-L182 PolarHBondContact O-N 2.91Å
183	R	95.6	Very high	87.7	Confident	57 Å²	57	52.7 Å²	52.7	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.9	168.7	-63.6	-75.9	-72.5	-92.9	5.1	108.7	I158 V159 L160 V161 Q181 I423 D426	I158-R183 HydrophobicContact CG2-CB 4.24Å; I158-R183 HydrophobicContact CG2-CG 3.94Å; V159-R183 PolarHBondContact O-N 3.19Å; L160-R183 VanDerWaalsContact CA-O 3.31Å; L160-R183 WeakPolarHBondContact CA-O 3.43Å; L160-R183 HydrophobicContact CD2-CB 3.67Å; V161-R183 PolarHBondContact N-O 3.17Å; Q181-R183 HydrophobicContact CG-CG 4.46Å; R183-I423 HydrophobicContact CB-CD1 4.14Å; R183-I423 HydrophobicContact CB-CG1 4.35Å; R183-I423 HydrophobicContact CG-CG1 4.45Å; R183-D426 IonicContact CZ-OD2 2.63Å; R183-D426 IonicContact NH1-OD2 3.06Å; R183-D426 PolarHBondContact NH1-OD2 3.05Å; R183-D426 IonicContact NH2-OD2 2.67Å; R183-D426 PolarHBondContact NH2-OD2 3.16Å
184	I	94.9	Very high	87.9	Confident	49 Å²	49	51.8 Å²	51.8	25%	0.251	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.1	178.1	-62.8	157.7	0	0	0	108.2	V161 K164 Y186	V161-I184 HydrophobicContact CG2-CG1 3.83Å; V161-I184 CarbonylContact O-C 3.52Å; V161-I184 WeakPolarHBondContact O-CA 3.23Å; K164-I184 HydrophobicContact CB-CD1 4.26Å; K164-I184 HydrophobicContact CG-CD1 3.39Å; I184-Y186 HydrophobicContact CG2-CD1 3.81Å; I184-Y186 HydrophobicContact CG2-CD2 4.31Å; I184-Y186 HydrophobicContact CG2-CE1 3.46Å; I184-Y186 VanDerWaalsContact CG2-CE1 3.46Å; I184-Y186 HydrophobicContact CG2-CE2 3.99Å; I184-Y186 HydrophobicContact CG2-CG 4.22Å
185	L	95.3	Very high	88.1	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.292	C	S	.	.			trans	-126.2	100.6	171.7	-177.8	69.1	0	0	0	108.4	Y121 L160 V161 F416 E419 L420	Y121-L185 HydrophobicContact CE2-CB 4.09Å; Y121-L185 HydrophobicContact CE2-CD2 4.03Å; Y121-L185 HydrophobicContact CE2-CG 4.44Å; Y121-L185 PolarHBondContact OH-O 3.38Å; L160-L185 HydrophobicContact CD1-CD2 4.08Å; V161-L185 PolarHBondContact O-N 2.79Å; L185-F416 HydrophobicContact CD1-CD2 3.74Å; L185-F416 HydrophobicContact CD1-CE2 3.88Å; L185-F416 HydrophobicContact CD1-CG 4.47Å; L185-F416 HydrophobicContact CD2-CD2 4.31Å; L185-F416 HydrophobicContact CD2-CE2 3.59Å; L185-F416 HydrophobicContact CD2-CZ 3.92Å; L185-F416 HydrophobicContact CG-CD2 3.87Å; L185-F416 HydrophobicContact CG-CE2 3.53Å; L185-F416 HydrophobicContact CG-CZ 4.35Å; L185-E419 HydrophobicContact CD1-CB 3.93Å; L185-L420 HydrophobicContact CD1-CB 4.07Å; L185-L420 HydrophobicContact CD2-CB 4.19Å; L185-L420 HydrophobicContact CD2-CD1 3.82Å; L185-L420 HydrophobicContact CD2-CD2 4.46Å; L185-L420 HydrophobicContact CD2-CG 4.37Å
186	Y	94.5	Very high	88.4	Confident	56 Å²	56	53.2 Å²	53.2	22%	0.22	27%	0.274	C	S	.	.			trans	-67.7	133.5	-175.4	-61.8	-67	0	0	0	111.9	N162 I184 F335 E359 F411 F416	N162-Y186 WeakPolarHBondContact O-CD1 3.28Å; I184-Y186 HydrophobicContact CG2-CD1 3.81Å; I184-Y186 HydrophobicContact CG2-CD2 4.31Å; I184-Y186 HydrophobicContact CG2-CE1 3.46Å; I184-Y186 VanDerWaalsContact CG2-CE1 3.46Å; I184-Y186 HydrophobicContact CG2-CE2 3.99Å; I184-Y186 HydrophobicContact CG2-CG 4.22Å; Y186-F335 HydrophobicContact CD1-CD2 4.3Å; Y186-F335 AromaticContact CD1-CE2 3.66Å; Y186-F335 HydrophobicContact CD1-CE2 3.66Å; Y186-F335 HydrophobicContact CD1-CZ 4.48Å; Y186-F335 HydrophobicContact CG-CE2 4.31Å; Y186-E359 WeakPolarHBondContact CE1-OE2 3.3Å; Y186-E359 PolarHBondContact OH-OE2 3.38Å; Y186-F411 AromaticContact CD1-CE1 3.96Å; Y186-F411 HydrophobicContact CD1-CE1 3.96Å; Y186-F411 HydrophobicContact CD2-CD1 4.3Å; Y186-F411 HydrophobicContact CD2-CE1 4.03Å; Y186-F411 HydrophobicContact CE1-CE1 4.36Å; Y186-F411 HydrophobicContact CE2-CE1 4.44Å; Y186-F411 AromaticContact CG-CD1 3.99Å; Y186-F411 HydrophobicContact CG-CD1 3.99Å; Y186-F411 AromaticContact CG-CE1 3.78Å; Y186-F411 HydrophobicContact CG-CE1 3.78Å; Y186-F416 WeakPolarHBondContact O-CD2 3.36Å
187	P	92.9	Very high	88.5	Confident	23 Å²	23	52.2 Å²	52.2	15%	0.149	27%	0.265	C	S	.	.			trans	-61.8	152.6	172.5	-20.9	31.7	0	0	0	112.5	L20 N162 F335	L20-P187 HydrophobicContact CD1-CB 4.13Å; L20-P187 HydrophobicContact CD1-CG 4.26Å; N162-P187 HydrophobicContact CB-CG 3.73Å; N162-P187 WeakPolarHBondContact O-CD 3.41Å; P187-F335 HydrophobicContact CB-CD1 3.98Å; P187-F335 HydrophobicContact CB-CE1 3.99Å; P187-F335 HydrophobicContact CG-CB 4.49Å; P187-F335 HydrophobicContact CG-CD1 3.76Å; P187-F335 HydrophobicContact CG-CE1 4.11Å; P187-F335 HydrophobicContact CG-CG 4.07Å; P187-F335 WeakPolarHBondContact O-CE1 3.41Å
188	I	92.8	Very high	87.7	Confident	26 Å²	26	56.9 Å²	56.9	13%	0.133	30%	0.295	C	S	.	.			trans	-106.4	149.1	174.7	60.8	175	0	0	0	111.1	D23 F416	D23-I188 HydrophobicContact CB-CD1 4.2Å; D23-I188 HydrophobicContact CB-CG1 4.34Å; I188-F416 HydrophobicContact CD1-CD1 4.46Å; I188-F416 HydrophobicContact CG2-CB 3.53Å; I188-F416 HydrophobicContact CG2-CD2 4.12Å; I188-F416 HydrophobicContact CG2-CG 3.88Å
189	A	90.6	Very high	86.3	Confident	9 Å²	9	53.3 Å²	53.3	7%	0.074	28%	0.278	C	S	.	.			trans	-82.2	144.9	173	0	0	0	0	0	110.6	K191 L194 I337 I340 E341 L344	A189-K191 PolarHBondContact O-N 2.6Å; A189-L194 HydrophobicContact CB-CD1 4.43Å; A189-I337 HydrophobicContact CB-CD1 3.98Å; A189-I337 HydrophobicContact CB-CG1 4.11Å; A189-I340 HydrophobicContact CB-CG2 3.87Å; A189-E341 HydrophobicContact CB-CG 3.99Å; A189-L344 HydrophobicContact CB-CD1 3.67Å
190	N	85.6	Confident	84.3	Confident	46 Å²	46	53.5 Å²	53.5	25%	0.246	29%	0.289	C	S	.	.			trans	-73.9	97.3	177.5	-179.2	-1	0	0	0	110.4	K192 S193	N190-K192 PolarHBondContact O-N 3.43Å; N190-K192 WeakPolarHBondContact OD1-CB 3.34Å; N190-K192 PolarHBondContact OD1-N 2.77Å; N190-S193 PolarHBondContact O-N 3.44Å; N190-S193 PolarHBondContact O-OG 3.41Å
191	K	85.7	Confident	82	Confident	105 Å²	105	60.9 Å²	60.9	46%	0.457	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-57.5	-30.6	179	-69.3	-167.4	176.5	-166.7	0	112.8	A189 S193 L194 L344 D408	A189-K191 PolarHBondContact O-N 2.6Å; K191-S193 VanDerWaalsContact C-N 3.29Å; K191-S193 PolarHBondContact O-N 3.01Å; K191-L194 PolarHBondContact O-N 2.9Å; K191-L194 VanDerWaalsContact O-N 3.07Å; K191-L344 HydrophobicContact CG-CD1 4.42Å; K191-D408 IonicContact NZ-OD1 3.03Å
192	K	83.3	Confident	79.5	Confident	129 Å²	129	62.8 Å²	62.8	56%	0.561	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-65.4	-32	176.8	-63.3	-179.5	177.4	175.9	0	112.4	N190 L194 C195	N190-K192 PolarHBondContact O-N 3.43Å; N190-K192 WeakPolarHBondContact OD1-CB 3.34Å; N190-K192 PolarHBondContact OD1-N 2.77Å; K192-L194 PolarHBondContact O-N 3.26Å; K192-C195 PolarHBondContact O-SG 3.02Å; K192-C195 VanDerWaalsContact O-SG 3.35Å
193	S	83.7	Confident	76.7	Confident	38 Å²	38	70.1 Å²	70.1	27%	0.266	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-79.4	-2.1	174.9	67.9	0	0	0	0	114.1	N190 K191	N190-S193 PolarHBondContact O-N 3.44Å; N190-S193 PolarHBondContact O-OG 3.41Å; K191-S193 VanDerWaalsContact C-N 3.29Å; K191-S193 PolarHBondContact O-N 3.01Å
194	L	88.8	Confident	73.9	Confident	13 Å²	13	75 Å²	75	7%	0.068	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-112.4	17.8	-179.2	-59.9	176.3	0	0	0	112.5	A189 K191 K192 L196 P317 E341 L344 L345	A189-L194 HydrophobicContact CB-CD1 4.43Å; K191-L194 PolarHBondContact O-N 2.9Å; K191-L194 VanDerWaalsContact O-N 3.07Å; K192-L194 PolarHBondContact O-N 3.26Å; L194-L196 PolarHBondContact O-N 3.34Å; L194-P317 HydrophobicContact CD2-CB 4.45Å; L194-E341 HydrophobicContact CD1-CB 4.1Å; L194-E341 HydrophobicContact CD1-CG 4.08Å; L194-E341 HydrophobicContact CD2-CB 3.99Å; L194-E341 HydrophobicContact CD2-CG 4.12Å; L194-L344 HydrophobicContact CD1-CB 4.04Å; L194-L344 HydrophobicContact CD1-CD1 3.64Å; L194-L345 HydrophobicContact CB-CD2 4.25Å; L194-L345 HydrophobicContact CD2-CD1 4.04Å
195	C	86.3	Confident	71.2	Confident	91 Å²	91	78.2 Å²	78.2	62%	0.615	41%	0.412	S	S	*	.			trans	-66.4	126.7	176.6	-66.6	0	0	0	0	110.7	K192	K192-C195 PolarHBondContact O-SG 3.02Å; K192-C195 VanDerWaalsContact O-SG 3.35Å
196	L	88.4	Confident	69.2	Low	38 Å²	38	85 Å²	85	20%	0.199	44%	0.443	C	S	.	.			trans	-97.8	151.8	171.3	-65.5	172	0	0	0	109.8	L194 T198 Y212 P317 L318 A321 L345	L194-L196 PolarHBondContact O-N 3.34Å; L196-T198 PolarHBondContact O-N 3.14Å; L196-T198 VanDerWaalsContact O-N 3.09Å; L196-Y212 HydrophobicContact CB-CE1 4.05Å; L196-Y212 HydrophobicContact CD1-CD1 4.35Å; L196-Y212 HydrophobicContact CD1-CE1 3.72Å; L196-Y212 HydrophobicContact CD1-CE2 4.21Å; L196-Y212 HydrophobicContact CD2-CD1 4.37Å; L196-Y212 HydrophobicContact CD2-CE1 4.48Å; L196-Y212 HydrophobicContact CG-CE1 4.32Å; L196-P317 HydrophobicContact CD2-CB 3.94Å; L196-L318 HydrophobicContact CD2-CD2 4.12Å; L196-A321 HydrophobicContact CD1-CB 3.71Å; L196-A321 HydrophobicContact CD2-CB 3.59Å; L196-A321 HydrophobicContact CG-CB 4.3Å; L196-L345 HydrophobicContact CD1-CD2 3.78Å; L196-L345 HydrophobicContact CD2-CD2 4.39Å; L196-L345 HydrophobicContact CG-CD2 3.93Å
197	P	84.9	Confident	67.5	Low	45 Å²	45	83.8 Å²	83.8	29%	0.292	44%	0.44	S	S	.	.			trans	-58.8	115.3	173.5	-21.6	32.6	0	0	0	110.7	S199 Y215 L318	P197-S199 PolarHBondContact O-N 3.22Å; P197-Y215 HydrophobicContact CB-CD1 4.13Å; P197-Y215 HydrophobicContact CB-CD2 4.18Å; P197-Y215 HydrophobicContact CB-CE1 3.86Å; P197-Y215 HydrophobicContact CB-CE2 3.9Å; P197-Y215 HydrophobicContact CB-CG 4.28Å; P197-Y215 HydrophobicContact CG-CD1 4.02Å; P197-Y215 HydrophobicContact CG-CD2 3.93Å; P197-Y215 HydrophobicContact CG-CE1 4.27Å; P197-Y215 HydrophobicContact CG-CE2 4.16Å; P197-Y215 HydrophobicContact CG-CG 3.84Å; P197-L318 HydrophobicContact CG-CD2 4Å
198	T	67.8	Low	66.6	Low	105 Å²	105	85.3 Å²	85.3	64%	0.644	45%	0.451	S	S	*	.			trans	-75	105.2	175.5	-29	0	0	0	0	108.5	L196 T200	L196-T198 PolarHBondContact O-N 3.14Å; L196-T198 VanDerWaalsContact O-N 3.09Å; T198-T200 PolarHBondContact O-N 3.09Å
199	S	52.2	Low	66.1	Low	33 Å²	33	84.5 Å²	84.5	23%	0.231	45%	0.447	C	S	.	.			trans	-64.1	122.2	160.1	77.9	0	0	0	0	107.6	P197 Q201 Q207	P197-S199 PolarHBondContact O-N 3.22Å; S199-Q201 PolarHBondContact O-N 2.62Å; S199-Q207 PolarHBondContact OG-NE2 3.34Å
200	T	40.3	Very low	65.9	Low	143 Å²	143	89.5 Å²	89.5	88%	0.877	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	25.5	-169.9	33	0	0	0	0	114.6	T198	T198-T200 PolarHBondContact O-N 3.09Å
201	Q	35.3	Very low	66	Low	161 Å²	161	91.2 Å²	91.2	75%	0.752	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	-6.6	-176.3	-74.4	-169.8	-12.9	0	0	117.4	S199	S199-Q201 PolarHBondContact O-N 2.62Å
202	F	36.2	Very low	66.1	Low	123 Å²	123	87.6 Å²	87.6	54%	0.539	46%	0.455	S	S	.	.			trans	-144.5	84	179.2	-68.4	-81.5	0	0	0	112.3	N204	F202-N204 PolarHBondContact O-N 3.06Å
203	Q	34.8	Very low	66.5	Low	182 Å²	182	83.6 Å²	83.6	85%	0.85	44%	0.436	S	S	*	.	S	Bend	trans	-74.8	-4.6	173.7	-82.3	-176.9	-28	0	0	113.9
204	N	37.5	Very low	66.7	Low	159 Å²	159	87.4 Å²	87.4	85%	0.85	45%	0.448	S	S	*	.	S	Bend	trans	-129.4	7	-174.4	-74.2	-25.6	0	0	0	115.7	F202	F202-N204 PolarHBondContact O-N 3.06Å
205	N	38.9	Very low	66.8	Low	117 Å²	117	90.8 Å²	90.8	63%	0.626	46%	0.46	S	S	*	.	S	Bend	trans	-125.1	125.9	173.9	-84.3	-17.6	0	0	0	109.6	Q207	N205-Q207 PolarHBondContact O-N 3.18Å
206	H	51.8	Low	67.1	Low	142 Å²	142	87.2 Å²	87.2	66%	0.657	44%	0.435	S	S	*	.			trans	-45.9	108.7	169.9	-77.2	-79.7	0	0	0	109.1	S208	H206-S208 PolarHBondContact O-N 3.37Å
207	Q	58.9	Low	67.2	Low	31 Å²	31	88.7 Å²	88.7	15%	0.145	45%	0.447	C	S	.	.			trans	-60.9	130.1	171.6	-87.7	170.2	29.7	0	0	108	S199 N205 Y212	S199-Q207 PolarHBondContact OG-NE2 3.34Å; N205-Q207 PolarHBondContact O-N 3.18Å; Q207-Y212 HydrophobicContact CB-CE1 4.27Å; Q207-Y212 HydrophobicContact CB-CE2 4.31Å; Q207-Y212 WeakPolarHBondContact CB-OH 3.28Å
208	S	74.3	Confident	67.3	Low	56 Å²	56	92.7 Å²	92.7	39%	0.392	48%	0.476	S	S	.	.			trans	-56.3	141.7	-179	-174.9	0	0	0	0	110.3	H206 Y210 E211	H206-S208 PolarHBondContact O-N 3.37Å; S208-Y210 PolarHBondContact O-N 3.05Å; S208-Y210 WeakPolarHBondContact OG-CD2 3.31Å; S208-E211 WeakPolarHBondContact O-CB 3.37Å; S208-E211 PolarHBondContact O-N 3.35Å
209	K	83.7	Confident	68.2	Low	8 Å²	8	90.8 Å²	90.8	4%	0.035	48%	0.477	C	S	.	.	H	α-helix	trans	-49.1	-30.2	174.8	63.6	-164.1	171.1	-161.1	0	113.1	E211 Y212 D324 R347	K209-E211 VanDerWaalsContact C-N 3.35Å; K209-Y212 PolarHBondContact O-N 3.49Å; K209-D324 VanDerWaalsContact CE-OD1 3.3Å; K209-D324 WeakPolarHBondContact CE-OD1 3.44Å; K209-D324 IonicContact NZ-OD1 3.44Å; K209-D324 PolarHBondContact NZ-OD1 3.31Å; K209-R347 VanDerWaalsContact CB-NH2 3.33Å
210	Y	85.7	Confident	70.1	Confident	114 Å²	114	90 Å²	90	45%	0.447	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-32.2	177.6	-54.8	-65.4	0	0	0	113.2	S208 Y212 R213	S208-Y210 PolarHBondContact O-N 3.05Å; S208-Y210 WeakPolarHBondContact OG-CD2 3.31Å; Y210-Y212 VanDerWaalsContact C-N 3.31Å; Y210-Y212 PolarHBondContact O-N 3.1Å; Y210-R213 VanDerWaalsContact CD1-CZ 3.49Å; Y210-R213 WeakPolarHBondContact O-CB 3.41Å; Y210-R213 PolarHBondContact O-N 2.95Å
211	E	86.7	Confident	72.7	Confident	83 Å²	83	84.6 Å²	84.6	39%	0.388	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-33.3	179.9	-73.3	-64.4	129.1	0	0	112.1	S208 K209 R213 K214	S208-E211 WeakPolarHBondContact O-CB 3.37Å; S208-E211 PolarHBondContact O-N 3.35Å; K209-E211 VanDerWaalsContact C-N 3.35Å; E211-R213 PolarHBondContact O-N 2.96Å; E211-K214 VanDerWaalsContact O-CD 3.26Å; E211-K214 WeakPolarHBondContact O-CD 3.45Å; E211-K214 WeakPolarHBondContact O-CE 3.32Å; E211-K214 WeakPolarHBondContact O-CG 3.48Å; E211-K214 PolarHBondContact O-N 2.97Å; E211-K214 IonicContact OE2-NZ 2.71Å; E211-K214 PolarHBondContact OE2-NZ 3.38Å
212	Y	89.2	Confident	75.4	Confident	28 Å²	28	78.6 Å²	78.6	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-70	-23.7	178.7	-59.1	-57.7	0	0	0	112.7	L196 Q207 K209 Y210 K214 Y215 L318 A321 S322	L196-Y212 HydrophobicContact CB-CE1 4.05Å; L196-Y212 HydrophobicContact CD1-CD1 4.35Å; L196-Y212 HydrophobicContact CD1-CE1 3.72Å; L196-Y212 HydrophobicContact CD1-CE2 4.21Å; L196-Y212 HydrophobicContact CD2-CD1 4.37Å; L196-Y212 HydrophobicContact CD2-CE1 4.48Å; L196-Y212 HydrophobicContact CG-CE1 4.32Å; Q207-Y212 HydrophobicContact CB-CE1 4.27Å; Q207-Y212 HydrophobicContact CB-CE2 4.31Å; Q207-Y212 WeakPolarHBondContact CB-OH 3.28Å; K209-Y212 PolarHBondContact O-N 3.49Å; Y210-Y212 VanDerWaalsContact C-N 3.31Å; Y210-Y212 PolarHBondContact O-N 3.1Å; Y212-K214 PolarHBondContact O-N 3.15Å; Y212-Y215 PolarHBondContact O-N 2.98Å; Y212-Y215 VanDerWaalsContact O-N 3.17Å; Y212-L318 HydrophobicContact CD1-CD2 4.44Å; Y212-A321 HydrophobicContact CD2-CB 3.65Å; Y212-A321 WeakPolarHBondContact CD2-O 3.44Å; Y212-A321 HydrophobicContact CE2-CB 3.99Å; Y212-A321 HydrophobicContact CG-CB 4.01Å; Y212-S322 VanDerWaalsContact CB-OG 3.32Å; Y212-S322 WeakPolarHBondContact CB-OG 3.43Å
213	R	90.5	Very high	78.1	Confident	45 Å²	45	82.5 Å²	82.5	17%	0.17	43%	0.43	C	S	.	.	H	α-helix	trans	-62.2	-28.7	179.8	-57.3	-176.2	-178.1	-176.9	2.3	112.3	Y210 E211 Y215 L216 I221 A225 K226 I228 S322	Y210-R213 VanDerWaalsContact CD1-CZ 3.49Å; Y210-R213 WeakPolarHBondContact O-CB 3.41Å; Y210-R213 PolarHBondContact O-N 2.95Å; E211-R213 PolarHBondContact O-N 2.96Å; R213-Y215 PolarHBondContact O-N 3.25Å; R213-L216 PolarHBondContact O-N 2.82Å; R213-I221 HydrophobicContact CB-CD1 4.46Å; R213-I221 HydrophobicContact CG-CD1 3.9Å; R213-A225 PolarHBondContact NH1-O 2.9Å; R213-K226 PolarHBondContact NH2-O 3.37Å; R213-I228 VanDerWaalsContact NH2-CG1 3.29Å; R213-S322 PolarHBondContact N-OG 2.92Å
214	K	88.6	Confident	80.9	Confident	118 Å²	118	77.5 Å²	77.5	51%	0.513	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.1	180	82.1	-160.2	174.8	178.9	0	114.1	E211 Y212	E211-K214 VanDerWaalsContact O-CD 3.26Å; E211-K214 WeakPolarHBondContact O-CD 3.45Å; E211-K214 WeakPolarHBondContact O-CE 3.32Å; E211-K214 WeakPolarHBondContact O-CG 3.48Å; E211-K214 PolarHBondContact O-N 2.97Å; E211-K214 IonicContact OE2-NZ 2.71Å; E211-K214 PolarHBondContact OE2-NZ 3.38Å; Y212-K214 PolarHBondContact O-N 3.15Å
215	Y	90.9	Very high	83.7	Confident	84 Å²	84	70 Å²	70	33%	0.329	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.8	177.3	-58.4	-75.1	0	0	0	112.6	P197 Y212 R213 L318	P197-Y215 HydrophobicContact CB-CD1 4.13Å; P197-Y215 HydrophobicContact CB-CD2 4.18Å; P197-Y215 HydrophobicContact CB-CE1 3.86Å; P197-Y215 HydrophobicContact CB-CE2 3.9Å; P197-Y215 HydrophobicContact CB-CG 4.28Å; P197-Y215 HydrophobicContact CG-CD1 4.02Å; P197-Y215 HydrophobicContact CG-CD2 3.93Å; P197-Y215 HydrophobicContact CG-CE1 4.27Å; P197-Y215 HydrophobicContact CG-CE2 4.16Å; P197-Y215 HydrophobicContact CG-CG 3.84Å; Y212-Y215 PolarHBondContact O-N 2.98Å; Y212-Y215 VanDerWaalsContact O-N 3.17Å; R213-Y215 PolarHBondContact O-N 3.25Å; Y215-L318 HydrophobicContact CD2-CD2 4.27Å; Y215-L318 HydrophobicContact CG-CD2 4.43Å
216	L	91.7	Very high	86.3	Confident	16 Å²	16	68.6 Å²	68.6	8%	0.084	36%	0.355	C	S	.	.	S	Bend	trans	-78.7	142	174.8	-70.7	170.4	0	0	0	110.1	R213 S218 I220 I221 I315 L318 L319	R213-L216 PolarHBondContact O-N 2.82Å; L216-S218 PolarHBondContact O-N 3.5Å; L216-I220 HydrophobicContact CD2-CD1 4.44Å; L216-I221 HydrophobicContact CD1-CD1 3.46Å; L216-I221 VanDerWaalsContact CD1-CD1 3.46Å; L216-I221 HydrophobicContact CD1-CG1 3.99Å; L216-I315 HydrophobicContact CD2-CD1 4.39Å; L216-I315 HydrophobicContact CD2-CG2 3.96Å; L216-L318 HydrophobicContact CD2-CB 3.66Å; L216-L318 HydrophobicContact CD2-CD1 4.49Å; L216-L318 HydrophobicContact CG-CB 4.22Å; L216-L319 HydrophobicContact CD1-CD2 4.06Å; L216-L319 HydrophobicContact CD2-CD2 3.88Å; L216-L319 HydrophobicContact CD2-CG 4.13Å
217	P	90.5	Very high	88.5	Confident	69 Å²	69	62.3 Å²	62.3	45%	0.448	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-50.1	140.1	168.6	-28.2	31.5	0	0	0	112.4	G219 I220 I315	P217-G219 PolarHBondContact O-N 3.43Å; P217-I220 HydrophobicContact CB-CD1 3.86Å; P217-I220 HydrophobicContact CB-CG1 4.28Å; P217-I220 HydrophobicContact CG-CD1 3.86Å; P217-I220 WeakPolarHBondContact O-CG1 3.23Å; P217-I220 PolarHBondContact O-N 2.95Å; P217-I315 VanDerWaalsContact CD-CD1 3.42Å; P217-I315 HydrophobicContact CG-CD1 3.95Å
218	S	87.7	Confident	90.3	Very high	129 Å²	129	60.9 Å²	60.9	90%	0.902	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	138.6	178.7	-53.2	0	0	0	0	111.5	L216	L216-S218 PolarHBondContact O-N 3.5Å
219	G	86.5	Confident	91.5	Very high	65 Å²	65	58.2 Å²	58.2	67%	0.67	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-7.1	178	0	0	0	0	0	115.6	P217	P217-G219 PolarHBondContact O-N 3.43Å
220	I	92.5	Very high	92.2	Very high	18 Å²	18	57.8 Å²	57.8	9%	0.092	30%	0.299	C	S	.	.	S	Bend	trans	-67.3	-49.6	172.6	-67.5	-177.6	0	0	0	110.8	L216 P217 I273 T306 M308 I315 L319	L216-I220 HydrophobicContact CD2-CD1 4.44Å; P217-I220 HydrophobicContact CB-CD1 3.86Å; P217-I220 HydrophobicContact CB-CG1 4.28Å; P217-I220 HydrophobicContact CG-CD1 3.86Å; P217-I220 WeakPolarHBondContact O-CG1 3.23Å; P217-I220 PolarHBondContact O-N 2.95Å; I220-I273 HydrophobicContact CG2-CD1 4.23Å; I220-T306 WeakPolarHBondContact O-CB 3.49Å; I220-T306 PolarHBondContact O-OG1 3Å; I220-M308 HydrophobicContact CD1-SD 4.02Å; I220-I315 HydrophobicContact CD1-CG2 4.47Å; I220-L319 HydrophobicContact CG2-CD2 3.71Å
221	I	93.9	Very high	92.8	Very high	28 Å²	28	52.4 Å²	52.4	14%	0.144	28%	0.277	C	S	.	.	S	Bend	trans	-108.3	116.4	175.6	-60.1	-176	0	0	0	107.6	R213 L216 A225 I228 I273	R213-I221 HydrophobicContact CB-CD1 4.46Å; R213-I221 HydrophobicContact CG-CD1 3.9Å; L216-I221 HydrophobicContact CD1-CD1 3.46Å; L216-I221 VanDerWaalsContact CD1-CD1 3.46Å; L216-I221 HydrophobicContact CD1-CG1 3.99Å; I221-A225 HydrophobicContact CG2-CB 3.99Å; I221-I228 HydrophobicContact CG2-CD1 3.69Å; I221-I228 HydrophobicContact CG2-CG1 4.42Å; I221-I273 HydrophobicContact CD1-CD1 4.25Å; I221-I273 HydrophobicContact CG1-CD1 3.8Å
222	P	93.4	Very high	93.2	Very high	36 Å²	36	49 Å²	49	23%	0.234	26%	0.262	C	S	.	.			trans	-62.8	147	174.4	-22.9	34.3	0	0	0	111.8	K224 A225 H271	P222-K224 HydrophobicContact CB-CG 4.04Å; P222-K224 PolarHBondContact O-N 3.28Å; P222-A225 HydrophobicContact CB-CB 4.46Å; P222-A225 WeakPolarHBondContact O-CB 3.46Å; P222-A225 PolarHBondContact O-N 3.12Å; P222-H271 WeakPolarHBondContact CD-NE2 3.39Å; P222-H271 VanDerWaalsContact CG-CE1 3.43Å; P222-H271 WeakPolarHBondContact CG-CE1 3.34Å
223	E	91.7	Very high	93.4	Very high	204 Å²	204	48.3 Å²	48.3	95%	0.953	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.8	-179.9	-66.3	-178	172.8	0	0	113.1	A225	E223-A225 PolarHBondContact O-N 3.31Å
224	K	94.1	Very high	93.5	Very high	77 Å²	77	52.3 Å²	52.3	34%	0.335	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	176.3	66.9	179.3	-173.7	-176.3	0	113.5	P222 K226 E268 N269 E303	P222-K224 HydrophobicContact CB-CG 4.04Å; P222-K224 PolarHBondContact O-N 3.28Å; K224-K226 PolarHBondContact O-N 3.03Å; K224-E268 HydrophobicContact CD-CB 4.45Å; K224-E268 WeakPolarHBondContact CD-O 3.4Å; K224-E268 WeakPolarHBondContact CE-O 3.38Å; K224-E268 WeakPolarHBondContact CG-O 3.31Å; K224-N269 WeakPolarHBondContact O-CA 3.17Å; K224-N269 PolarHBondContact O-ND2 3.31Å; K224-E303 WeakPolarHBondContact CE-O 3.37Å; K224-E303 PolarHBondContact NZ-O 3.1Å
225	A	95.6	Very high	93.8	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	25%	0.251	C	S	.	.			trans	-80.2	112.8	-169.7	0	0	0	0	0	111.6	R213 I221 P222 E223 I228 H271	R213-A225 PolarHBondContact NH1-O 2.9Å; I221-A225 HydrophobicContact CG2-CB 3.99Å; P222-A225 HydrophobicContact CB-CB 4.46Å; P222-A225 WeakPolarHBondContact O-CB 3.46Å; P222-A225 PolarHBondContact O-N 3.12Å; E223-A225 PolarHBondContact O-N 3.31Å; A225-I228 HydrophobicContact CB-CD1 3.47Å; A225-I228 VanDerWaalsContact CB-CD1 3.47Å; A225-H271 HydrophobicContact CB-CB 3.61Å
226	K	95.4	Very high	94	Very high	87 Å²	87	43.6 Å²	43.6	38%	0.378	24%	0.239	S	C	.	.			trans	-97.2	-47.6	178.4	-61.7	-180	179.9	177.7	0	110.9	R213 K224 I265 N269	R213-K226 PolarHBondContact NH2-O 3.37Å; K224-K226 PolarHBondContact O-N 3.03Å; K226-I265 HydrophobicContact CB-CD1 3.91Å; K226-I265 HydrophobicContact CD-CD1 3.48Å; K226-I265 VanDerWaalsContact CD-CD1 3.48Å; K226-I265 HydrophobicContact CG-CD1 4.34Å; K226-N269 HydrophobicContact CB-CB 4.08Å; K226-N269 HydrophobicContact CD-CB 4.1Å; K226-N269 HydrophobicContact CG-CB 4.04Å; K226-N269 PolarHBondContact N-O 2.9Å
227	I	97.2	Very high	94.2	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.7	178.5	-54.4	-59.8	0	0	0	109.4	F229 I265 N269 V270 H271 D324 V390	I227-F229 HydrophobicContact CG2-CD2 4.47Å; I227-F229 HydrophobicContact CG2-CE1 4.38Å; I227-F229 HydrophobicContact CG2-CE2 3.75Å; I227-F229 HydrophobicContact CG2-CZ 3.69Å; I227-I265 HydrophobicContact CG1-CG1 4.48Å; I227-I265 HydrophobicContact CG1-CG2 4.09Å; I227-N269 PolarHBondContact N-O 2.77Å; I227-V270 HydrophobicContact CB-CG2 4.27Å; I227-V270 WeakPolarHBondContact O-CA 3.32Å; I227-H271 PolarHBondContact O-N 2.64Å; I227-D324 WeakPolarHBondContact CA-OD2 3.27Å; I227-D324 HydrophobicContact CG2-CB 4.29Å; I227-V390 HydrophobicContact CG1-CG2 4.44Å; I227-V390 HydrophobicContact CG2-CG2 4.36Å
228	I	97.5	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.3	-173.7	-54.3	-61.1	0	0	0	110.2	R213 I221 A225 V230 H271 I273 D324	R213-I228 VanDerWaalsContact NH2-CG1 3.29Å; I221-I228 HydrophobicContact CG2-CD1 3.69Å; I221-I228 HydrophobicContact CG2-CG1 4.42Å; A225-I228 HydrophobicContact CB-CD1 3.47Å; A225-I228 VanDerWaalsContact CB-CD1 3.47Å; I228-V230 HydrophobicContact CG2-CG2 4.1Å; I228-H271 WeakPolarHBondContact CA-O 3.34Å; I228-H271 HydrophobicContact CD1-CB 3.83Å; I228-I273 HydrophobicContact CG2-CD1 3.85Å; I228-I273 HydrophobicContact CG2-CG1 4.34Å; I228-D324 PolarHBondContact N-OD2 2.86Å; I228-D324 PolarHBondContact O-N 3.06Å
229	F	98.5	Very high	94.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.2	167.1	-59.6	-66.2	0	0	0	110	I227 V270 H271 L272 I273 A325 M327 L386 F389	I227-F229 HydrophobicContact CG2-CD2 4.47Å; I227-F229 HydrophobicContact CG2-CE1 4.38Å; I227-F229 HydrophobicContact CG2-CE2 3.75Å; I227-F229 HydrophobicContact CG2-CZ 3.69Å; F229-V270 HydrophobicContact CD2-CG1 3.93Å; F229-V270 HydrophobicContact CE2-CG1 3.69Å; F229-H271 PolarHBondContact N-O 3.46Å; F229-L272 HydrophobicContact CB-CD1 4.01Å; F229-L272 CarbonylContact O-C 3.58Å; F229-L272 WeakPolarHBondContact O-CA 3.06Å; F229-I273 PolarHBondContact O-N 3.49Å; F229-A325 WeakPolarHBondContact CA-O 3.34Å; F229-A325 HydrophobicContact CD1-CB 3.99Å; F229-A325 HydrophobicContact CE1-CB 4.11Å; F229-M327 HydrophobicContact CB-CG 4.21Å; F229-M327 HydrophobicContact CB-SD 3.78Å; F229-M327 HydrophobicContact CG-SD 4.32Å; F229-L386 HydrophobicContact CD1-CD2 3.55Å; F229-L386 HydrophobicContact CD2-CD2 3.84Å; F229-L386 HydrophobicContact CE1-CB 4.49Å; F229-L386 HydrophobicContact CE1-CD2 3.5Å; F229-L386 VanDerWaalsContact CE1-CD2 3.5Å; F229-L386 HydrophobicContact CE2-CB 4.01Å; F229-L386 HydrophobicContact CE2-CD2 3.77Å; F229-L386 HydrophobicContact CE2-CG 4.33Å; F229-L386 HydrophobicContact CG-CD2 3.71Å; F229-L386 HydrophobicContact CZ-CB 3.85Å; F229-L386 HydrophobicContact CZ-CD2 3.61Å; F229-L386 HydrophobicContact CZ-CG 4.3Å; F229-F389 HydrophobicContact CE1-CB 4.04Å; F229-F389 HydrophobicContact CE1-CD2 4.04Å; F229-F389 HydrophobicContact CE1-CG 4.1Å; F229-F389 HydrophobicContact CZ-CB 4.03Å
230	V	98.2	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.6	179.9	175.8	0	0	0	0	109.7	I228 I232 I273 L319 A325 V326 M327	I228-V230 HydrophobicContact CG2-CG2 4.1Å; V230-I232 HydrophobicContact CG1-CD1 3.77Å; V230-I232 HydrophobicContact CG1-CG1 3.44Å; V230-I232 VanDerWaalsContact CG1-CG1 3.44Å; V230-I273 CarbonylContact C-O 3.48Å; V230-I273 WeakPolarHBondContact CA-O 3.3Å; V230-I273 HydrophobicContact CG2-CB 4.18Å; V230-I273 HydrophobicContact CG2-CD1 4.21Å; V230-L319 HydrophobicContact CG1-CB 4.5Å; V230-A325 PolarHBondContact N-O 3.22Å; V230-A325 VanDerWaalsContact N-O 3.14Å; V230-V326 CarbonylContact O-C 3.6Å; V230-V326 VanDerWaalsContact O-CA 3.27Å; V230-V326 WeakPolarHBondContact O-CA 3.37Å; V230-M327 PolarHBondContact O-N 3.06Å
231	S	98	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.1	166.6	-165.7	0	0	0	0	109.7	I273 A275 M327	S231-I273 PolarHBondContact N-O 2.89Å; S231-A275 PolarHBondContact O-N 2.85Å; S231-M327 WeakPolarHBondContact CB-O 3.41Å; S231-M327 PolarHBondContact OG-O 3.23Å
232	I	95.6	Very high	95.4	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	103.7	-178.4	-48	-166.7	0	0	0	110.6	V230 A275 K316 I320 V338	V230-I232 HydrophobicContact CG1-CD1 3.77Å; V230-I232 HydrophobicContact CG1-CG1 3.44Å; V230-I232 VanDerWaalsContact CG1-CG1 3.44Å; I232-A275 VanDerWaalsContact CA-O 3.27Å; I232-A275 WeakPolarHBondContact CA-O 3.22Å; I232-A275 HydrophobicContact CG1-CB 4.49Å; I232-K316 HydrophobicContact CD1-CG 3.96Å; I232-I320 HydrophobicContact CD1-CD1 3.89Å; I232-I320 HydrophobicContact CD1-CG1 3.53Å; I232-V338 HydrophobicContact CB-CG1 4.31Å
233	N	94.1	Very high	95.7	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	19%	0.185	C	C	.	.			trans	-153.5	160.4	175.7	-71.6	-75.8	0	0	0	111	K239 L241 A275 G276 P330	N233-K239 HydrophobicContact CB-CB 3.91Å; N233-K239 HydrophobicContact CB-CD 4.3Å; N233-K239 HydrophobicContact CB-CG 4.07Å; N233-L241 HydrophobicContact CB-CD2 4.02Å; N233-A275 PolarHBondContact N-O 3.09Å; N233-A275 VanDerWaalsContact N-O 3.15Å; N233-G276 WeakPolarHBondContact O-CA 3.37Å; N233-P330 VanDerWaalsContact OD1-CG 3.27Å; N233-P330 WeakPolarHBondContact OD1-CG 3.32Å
234	R	91.9	Very high	96	Very high	128 Å²	128	31.7 Å²	31.7	48%	0.483	14%	0.139	S	C	.	.			trans	-57.4	146.3	167.5	-65.9	175.8	70.9	126.1	6.4	110	E236	R234-E236 HydrophobicContact CB-CG 3.99Å; R234-E236 WeakPolarHBondContact CD-OE1 3.42Å; R234-E236 IonicContact CZ-OE1 3.89Å; R234-E236 IonicContact NE-OE1 3.01Å; R234-E236 PolarHBondContact NE-OE1 3.2Å; R234-E236 IonicContact NH2-OE1 3.15Å; R234-E236 PolarHBondContact O-N 2.84Å
235	Y	95.7	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-71.8	73.8	172.8	-69.9	-79.2	0	0	0	110.1	L241 I274 G276 G277 Y278 N285 Y289 L292 M308	Y235-L241 HydrophobicContact CD1-CD1 3.9Å; Y235-L241 HydrophobicContact CE1-CD1 4.25Å; Y235-I274 HydrophobicContact CE1-CG2 4.07Å; Y235-I274 PolarHBondContact OH-O 3.18Å; Y235-G276 WeakPolarHBondContact CE2-O 3.39Å; Y235-G277 WeakPolarHBondContact CD2-O 3.4Å; Y235-G277 PolarHBondContact N-O 2.55Å; Y235-G277 VanDerWaalsContact N-O 3.11Å; Y235-Y278 HydrophobicContact CD2-CD2 4.01Å; Y235-Y278 HydrophobicContact CD2-CG 4.46Å; Y235-N285 VanDerWaalsContact O-CA 3.28Å; Y235-N285 WeakPolarHBondContact O-CA 3.05Å; Y235-N285 PolarHBondContact O-ND2 3.01Å; Y235-Y289 HydrophobicContact CD1-CD2 4.18Å; Y235-Y289 AromaticContact CE1-CD2 3.74Å; Y235-Y289 HydrophobicContact CE1-CD2 3.74Å; Y235-Y289 HydrophobicContact CE2-CD2 4.21Å; Y235-Y289 AromaticContact CZ-CD2 3.75Å; Y235-L292 HydrophobicContact CD1-CD1 3.83Å; Y235-L292 HydrophobicContact CE1-CD1 4.1Å; Y235-M308 PolarHBondContact OH-N 3.21Å; Y235-M308 PolarHBondContact OH-O 3.44Å
236	E	94.3	Very high	96.3	Very high	20 Å²	20	32.5 Å²	32.5	9%	0.093	14%	0.14	C	C	.	.			trans	-131	138.7	179.9	-67.8	170.7	-173.5	0	0	109.2	R234 K238 K239 Y288	R234-E236 HydrophobicContact CB-CG 3.99Å; R234-E236 WeakPolarHBondContact CD-OE1 3.42Å; R234-E236 IonicContact CZ-OE1 3.89Å; R234-E236 IonicContact NE-OE1 3.01Å; R234-E236 PolarHBondContact NE-OE1 3.2Å; R234-E236 IonicContact NH2-OE1 3.15Å; R234-E236 PolarHBondContact O-N 2.84Å; E236-K238 HydrophobicContact CB-CG 4.27Å; E236-K238 PolarHBondContact O-N 3.01Å; E236-K238 VanDerWaalsContact O-N 3.17Å; E236-K238 WeakPolarHBondContact OE2-CE 3.19Å; E236-K238 IonicContact OE2-NZ 3.04Å; E236-K238 PolarHBondContact OE2-NZ 2.87Å; E236-K239 HydrophobicContact CB-CG 4.14Å; E236-K239 WeakPolarHBondContact O-CB 3.47Å; E236-K239 PolarHBondContact O-N 3.06Å; E236-Y288 VanDerWaalsContact O-CE1 3.3Å; E236-Y288 WeakPolarHBondContact O-CE1 3.34Å
237	R	95.3	Very high	96.5	Very high	96 Å²	96	28.3 Å²	28.3	36%	0.362	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-61.8	-32.7	-172.1	-67	-175.3	-175.7	92.3	-10.5	112.3	K239 N240 E284 E287 Y288 E291	R237-K239 PolarHBondContact O-N 2.72Å; R237-K239 VanDerWaalsContact O-N 3.14Å; R237-N240 PolarHBondContact O-N 3.44Å; R237-N240 VanDerWaalsContact O-N 3.09Å; R237-E284 PolarHBondContact N-OE1 3.4Å; R237-E287 IonicContact CZ-OE2 3.15Å; R237-E287 IonicContact NH1-OE2 2.67Å; R237-E287 IonicContact NH2-OE2 2.84Å; R237-E287 PolarHBondContact NH2-OE2 2.83Å; R237-Y288 HydrophobicContact CG-CD1 4.33Å; R237-Y288 HydrophobicContact CG-CD2 3.58Å; R237-Y288 HydrophobicContact CG-CE2 3.9Å; R237-Y288 HydrophobicContact CG-CG 3.81Å; R237-E291 IonicContact CZ-OE1 3.9Å; R237-E291 IonicContact CZ-OE2 3.13Å; R237-E291 IonicContact NE-OE1 2.96Å; R237-E291 IonicContact NE-OE2 3.89Å; R237-E291 PolarHBondContact NE-OE2 2.75Å; R237-E291 IonicContact NH2-OE1 3.84Å; R237-E291 PolarHBondContact NH2-OE1 3.16Å; R237-E291 IonicContact NH2-OE2 3.88Å
238	K	92.2	Very high	96.6	Very high	122 Å²	122	28 Å²	28	53%	0.53	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-61.8	-18.4	175.1	70.7	177.7	175.1	-176.7	0	114.2	E236 N240	E236-K238 HydrophobicContact CB-CG 4.27Å; E236-K238 PolarHBondContact O-N 3.01Å; E236-K238 VanDerWaalsContact O-N 3.17Å; E236-K238 WeakPolarHBondContact OE2-CE 3.19Å; E236-K238 IonicContact OE2-NZ 3.04Å; E236-K238 PolarHBondContact OE2-NZ 2.87Å; K238-N240 VanDerWaalsContact C-N 3.28Å
239	K	94.5	Very high	96.6	Very high	23 Å²	23	30.2 Å²	30.2	10%	0.1	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-83.1	-6.8	178.5	-59.5	-65.3	179.4	176.4	0	112.7	N233 E236 R237 L241 T329 P330 E333	N233-K239 HydrophobicContact CB-CB 3.91Å; N233-K239 HydrophobicContact CB-CD 4.3Å; N233-K239 HydrophobicContact CB-CG 4.07Å; E236-K239 HydrophobicContact CB-CG 4.14Å; E236-K239 WeakPolarHBondContact O-CB 3.47Å; E236-K239 PolarHBondContact O-N 3.06Å; R237-K239 PolarHBondContact O-N 2.72Å; R237-K239 VanDerWaalsContact O-N 3.14Å; K239-L241 VanDerWaalsContact C-N 3.27Å; K239-L241 HydrophobicContact CB-CG 4.49Å; K239-L241 PolarHBondContact O-N 2.87Å; K239-T329 CarbonylContact O-C 3.53Å; K239-T329 PolarHBondContact O-OG1 2.67Å; K239-P330 HydrophobicContact CB-CG 4.3Å; K239-P330 HydrophobicContact CD-CB 4.1Å; K239-P330 HydrophobicContact CD-CG 3.7Å; K239-E333 IonicContact NZ-OE1 2.77Å; K239-E333 PolarHBondContact NZ-OE1 3.04Å; K239-E333 IonicContact NZ-OE2 2.75Å; K239-E333 PolarHBondContact NZ-OE2 2.96Å
240	N	95.8	Very high	96.6	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	14%	0.138	C	C	.	.			trans	52.9	40.7	172.2	-165.9	19.5	0	0	0	113.7	R237 K238 S242 L243 T329	R237-N240 PolarHBondContact O-N 3.44Å; R237-N240 VanDerWaalsContact O-N 3.09Å; K238-N240 VanDerWaalsContact C-N 3.28Å; N240-S242 PolarHBondContact O-N 3.27Å; N240-S242 PolarHBondContact OD1-OG 3.44Å; N240-L243 WeakPolarHBondContact O-CB 3.43Å; N240-L243 PolarHBondContact O-N 2.76Å; N240-T329 VanDerWaalsContact O-CB 3.3Å; N240-T329 WeakPolarHBondContact O-CB 2.82Å; N240-T329 PolarHBondContact O-OG1 3.48Å
241	L	97.4	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-25.6	179.4	-70.4	175.9	0	0	0	112.4	N233 Y235 K239 L243 A244 I274 Y288 L292	N233-L241 HydrophobicContact CB-CD2 4.02Å; Y235-L241 HydrophobicContact CD1-CD1 3.9Å; Y235-L241 HydrophobicContact CE1-CD1 4.25Å; K239-L241 VanDerWaalsContact C-N 3.27Å; K239-L241 HydrophobicContact CB-CG 4.49Å; K239-L241 PolarHBondContact O-N 2.87Å; L241-L243 PolarHBondContact O-N 3.38Å; L241-A244 WeakPolarHBondContact O-CB 3.28Å; L241-A244 PolarHBondContact O-N 3.02Å; L241-A244 VanDerWaalsContact O-N 3.16Å; L241-I274 HydrophobicContact CD1-CG2 4.08Å; L241-I274 HydrophobicContact CD2-CG2 4.2Å; L241-Y288 HydrophobicContact CB-CE1 4.06Å; L241-Y288 HydrophobicContact CD1-CE1 4.14Å; L241-Y288 HydrophobicContact CG-CE1 4.32Å; L241-Y288 PolarHBondContact N-OH 3.22Å; L241-Y288 VanDerWaalsContact N-OH 3.12Å; L241-L292 HydrophobicContact CB-CD1 3.77Å; L241-L292 HydrophobicContact CB-CD2 3.96Å; L241-L292 HydrophobicContact CD1-CD1 3.81Å; L241-L292 HydrophobicContact CG-CD1 4.46Å
242	S	97.7	Very high	96.7	Very high	23 Å²	23	34 Å²	34	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-31.4	173.2	43	0	0	0	0	113	N240 A244 L245 Y246 Y288	N240-S242 PolarHBondContact O-N 3.27Å; N240-S242 PolarHBondContact OD1-OG 3.44Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 2.86Å; S242-L245 WeakPolarHBondContact O-CB 3.47Å; S242-L245 PolarHBondContact O-N 3.1Å; S242-L245 VanDerWaalsContact O-N 3.15Å; S242-Y246 WeakPolarHBondContact O-CD2 3.27Å; S242-Y246 PolarHBondContact O-N 2.65Å; S242-Y288 PolarHBondContact N-OH 2.94Å; S242-Y288 PolarHBondContact OG-OH 2.98Å
243	L	98.1	Very high	96.8	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-40	176.5	175.8	61.3	0	0	0	111.7	N240 L241 L245 Y246 S247 T329 L352 L378 P379 M382	N240-L243 WeakPolarHBondContact O-CB 3.43Å; N240-L243 PolarHBondContact O-N 2.76Å; L241-L243 PolarHBondContact O-N 3.38Å; L243-L245 VanDerWaalsContact C-N 3.26Å; L243-L245 PolarHBondContact O-N 2.8Å; L243-Y246 PolarHBondContact O-N 2.69Å; L243-S247 WeakPolarHBondContact O-CB 3.18Å; L243-S247 PolarHBondContact O-N 2.92Å; L243-S247 PolarHBondContact O-OG 3.47Å; L243-S247 VanDerWaalsContact O-OG 3.08Å; L243-T329 HydrophobicContact CB-CG2 4.11Å; L243-T329 HydrophobicContact CD2-CG2 4.17Å; L243-T329 HydrophobicContact CG-CG2 4.3Å; L243-L352 HydrophobicContact CD2-CD2 3.76Å; L243-L378 HydrophobicContact CD1-CB 4.24Å; L243-L378 HydrophobicContact CD1-CD2 4.22Å; L243-L378 HydrophobicContact CD1-CG 3.84Å; L243-L378 HydrophobicContact CD2-CD2 3.6Å; L243-L378 HydrophobicContact CD2-CG 3.75Å; L243-L378 HydrophobicContact CG-CG 4.47Å; L243-P379 HydrophobicContact CD1-CB 4.31Å; L243-P379 HydrophobicContact CD1-CG 3.9Å; L243-M382 HydrophobicContact CD2-CE 3.74Å; L243-M382 HydrophobicContact CD2-SD 4.19Å; L243-M382 HydrophobicContact CG-CE 4.27Å; L243-M382 HydrophobicContact CG-SD 4.06Å
244	A	98.3	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-36.6	178.7	0	0	0	0	0	111.9	L241 S242 L248 L272 M327 T329	L241-A244 WeakPolarHBondContact O-CB 3.28Å; L241-A244 PolarHBondContact O-N 3.02Å; L241-A244 VanDerWaalsContact O-N 3.16Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 2.86Å; A244-L248 WeakPolarHBondContact O-CB 3.24Å; A244-L248 PolarHBondContact O-N 3.3Å; A244-L272 HydrophobicContact CB-CD2 3.86Å; A244-M327 HydrophobicContact CB-CE 3.69Å; A244-M327 HydrophobicContact CB-SD 4.24Å; A244-T329 HydrophobicContact CB-CG2 4.16Å
245	L	98.7	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-46.4	175.6	-64	173.9	0	0	0	111.9	S242 L243 S247 L248 E249 L272 I274 L292 L295 L299 V305 F307	S242-L245 WeakPolarHBondContact O-CB 3.47Å; S242-L245 PolarHBondContact O-N 3.1Å; S242-L245 VanDerWaalsContact O-N 3.15Å; L243-L245 VanDerWaalsContact C-N 3.26Å; L243-L245 PolarHBondContact O-N 2.8Å; L245-S247 VanDerWaalsContact C-N 3.3Å; L245-S247 PolarHBondContact O-N 2.96Å; L245-L248 PolarHBondContact O-N 3.15Å; L245-E249 PolarHBondContact O-N 3.16Å; L245-L272 HydrophobicContact CD2-CD2 4.23Å; L245-I274 HydrophobicContact CD1-CD1 4.41Å; L245-I274 HydrophobicContact CD2-CD1 3.71Å; L245-I274 HydrophobicContact CG-CD1 3.86Å; L245-L292 HydrophobicContact CD1-CB 4.29Å; L245-L292 HydrophobicContact CD1-CD2 3.87Å; L245-L292 WeakPolarHBondContact CD1-O 3.46Å; L245-L295 HydrophobicContact CD1-CB 4.24Å; L245-L295 HydrophobicContact CD1-CD2 3.99Å; L245-L295 HydrophobicContact CD1-CG 4.16Å; L245-L299 HydrophobicContact CB-CD1 3.97Å; L245-V305 HydrophobicContact CD2-CG1 4.06Å; L245-V305 HydrophobicContact CD2-CG2 3.77Å; L245-F307 HydrophobicContact CD1-CZ 4.22Å; L245-F307 HydrophobicContact CD2-CZ 4.21Å
246	Y	98.7	Very high	97.4	Very high	97 Å²	97	42.2 Å²	42.2	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-62	-37.8	176.3	-67.7	-57.1	0	0	0	112.2	S242 L243 Y250 L295 L299	S242-Y246 WeakPolarHBondContact O-CD2 3.27Å; S242-Y246 PolarHBondContact O-N 2.65Å; L243-Y246 PolarHBondContact O-N 2.69Å; Y246-Y250 WeakPolarHBondContact O-CB 3.17Å; Y246-Y250 PolarHBondContact O-N 3.45Å; Y246-L295 HydrophobicContact CE1-CD1 3.99Å; Y246-L295 HydrophobicContact CE1-CD2 4.4Å; Y246-L295 HydrophobicContact CE2-CD2 4.19Å; Y246-L299 HydrophobicContact CD1-CD1 3.76Å; Y246-L299 HydrophobicContact CD1-CD2 4.01Å; Y246-L299 HydrophobicContact CE1-CD1 4.03Å; Y246-L299 HydrophobicContact CE1-CD2 4.03Å
247	S	98.6	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-37.9	176.3	-65.6	0	0	0	0	112.9	L243 L245 L251 P379 M382 A383	L243-S247 WeakPolarHBondContact O-CB 3.18Å; L243-S247 PolarHBondContact O-N 2.92Å; L243-S247 PolarHBondContact O-OG 3.47Å; L243-S247 VanDerWaalsContact O-OG 3.08Å; L245-S247 VanDerWaalsContact C-N 3.3Å; L245-S247 PolarHBondContact O-N 2.96Å; S247-L251 WeakPolarHBondContact O-CB 3.43Å; S247-L251 PolarHBondContact O-N 3.45Å; S247-P379 WeakPolarHBondContact OG-CA 3.27Å; S247-P379 PolarHBondContact OG-O 2.88Å; S247-M382 WeakPolarHBondContact OG-CB 3.43Å; S247-A383 WeakPolarHBondContact O-CB 3.26Å
248	L	98.8	Very high	97.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-45.4	174.4	179.2	65.9	0	0	0	111.2	A244 L245 L251 I252 V270 L272 V301 N304 V305	A244-L248 WeakPolarHBondContact O-CB 3.24Å; A244-L248 PolarHBondContact O-N 3.3Å; L245-L248 PolarHBondContact O-N 3.15Å; L248-L251 PolarHBondContact O-N 2.83Å; L248-I252 HydrophobicContact CD1-CD1 4.02Å; L248-I252 HydrophobicContact CD1-CG1 4.45Å; L248-I252 HydrophobicContact CG-CD1 3.98Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.11Å; L248-V270 HydrophobicContact CD1-CG1 4.05Å; L248-L272 HydrophobicContact CB-CD2 4.44Å; L248-L272 HydrophobicContact CD2-CB 3.84Å; L248-L272 HydrophobicContact CD2-CD2 4.21Å; L248-V301 HydrophobicContact CD2-CB 4.15Å; L248-V301 HydrophobicContact CD2-CG2 4.35Å; L248-N304 HydrophobicContact CD2-CB 4.04Å; L248-V305 HydrophobicContact CD2-CG2 3.52Å
249	E	98.7	Very high	98	Very high	47 Å²	47	39.2 Å²	39.2	22%	0.22	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-47.7	175.5	-177.9	-80.7	148.5	0	0	110.9	L245 L251 I252 T253 L299 V301	L245-E249 PolarHBondContact O-N 3.16Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 2.96Å; E249-I252 PolarHBondContact O-N 3.38Å; E249-I252 VanDerWaalsContact O-N 3.16Å; E249-T253 WeakPolarHBondContact O-CB 3.45Å; E249-T253 PolarHBondContact O-N 3.38Å; E249-T253 PolarHBondContact O-OG1 2.99Å; E249-T253 WeakPolarHBondContact OE1-CB 3.44Å; E249-T253 PolarHBondContact OE1-OG1 3.45Å; E249-L299 HydrophobicContact CB-CB 4.17Å; E249-L299 HydrophobicContact CB-CD1 4.3Å; E249-L299 HydrophobicContact CB-CD2 4.43Å; E249-L299 HydrophobicContact CG-CB 4.04Å; E249-L299 HydrophobicContact CG-CD2 4.1Å; E249-V301 HydrophobicContact CB-CG1 3.88Å; E249-V301 HydrophobicContact CG-CG1 4.3Å
250	Y	98.7	Very high	98.1	Very high	41 Å²	41	42 Å²	42	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-43.9	178.1	-167.8	-75.3	0	0	0	111.8	Y246 H254 L258 Q380 A383	Y246-Y250 WeakPolarHBondContact O-CB 3.17Å; Y246-Y250 PolarHBondContact O-N 3.45Å; Y250-H254 HydrophobicContact CD1-CB 4.44Å; Y250-H254 AromaticContact CD1-ND1 3.63Å; Y250-H254 AromaticContact CD2-CE1 3.84Å; Y250-H254 AromaticContact CD2-ND1 3.93Å; Y250-H254 HydrophobicContact CE1-CB 4.13Å; Y250-H254 AromaticContact CE1-CG 3.76Å; Y250-H254 AromaticContact CE1-ND1 3.55Å; Y250-H254 AromaticContact CE2-CE1 3.58Å; Y250-H254 AromaticContact CE2-ND1 3.89Å; Y250-H254 AromaticContact CG-ND1 3.8Å; Y250-H254 AromaticContact CZ-CE1 3.66Å; Y250-H254 AromaticContact CZ-CG 4Å; Y250-H254 AromaticContact CZ-ND1 3.68Å; Y250-H254 AromaticContact CZ-NE2 3.95Å; Y250-H254 WeakPolarHBondContact O-CB 3.29Å; Y250-H254 PolarHBondContact O-N 2.94Å; Y250-H254 PolarHBondContact O-ND1 3.22Å; Y250-L258 HydrophobicContact CD1-CD1 4.2Å; Y250-L258 HydrophobicContact CE1-CD1 4.24Å; Y250-Q380 HydrophobicContact CD1-CB 4.39Å; Y250-Q380 HydrophobicContact CD1-CG 4.48Å; Y250-Q380 HydrophobicContact CD2-CB 4.11Å; Y250-Q380 HydrophobicContact CE1-CB 4.06Å; Y250-Q380 HydrophobicContact CE1-CG 3.75Å; Y250-Q380 HydrophobicContact CE2-CB 3.72Å; Y250-Q380 HydrophobicContact CE2-CG 4.02Å; Y250-Q380 HydrophobicContact CG-CB 4.44Å; Y250-Q380 VanDerWaalsContact CZ-CG 3.49Å; Y250-Q380 WeakPolarHBondContact OH-CG 3.3Å; Y250-Q380 PolarHBondContact OH-NE2 3.35Å; Y250-A383 HydrophobicContact CD1-CB 3.67Å; Y250-A383 HydrophobicContact CG-CB 4.17Å
251	L	98.7	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-47.4	177.2	176.3	65.7	0	0	0	111.9	S247 L248 E249 H254 W255 L258 I259 V270 A383 L386	S247-L251 WeakPolarHBondContact O-CB 3.43Å; S247-L251 PolarHBondContact O-N 3.45Å; L248-L251 PolarHBondContact O-N 2.83Å; E249-L251 VanDerWaalsContact C-N 3.29Å; E249-L251 PolarHBondContact O-N 2.96Å; L251-H254 CarbonylContact O-C 3.58Å; L251-W255 HydrophobicContact CG-CE3 4.47Å; L251-W255 HydrophobicContact CG-CZ3 4.39Å; L251-W255 WeakPolarHBondContact O-CA 3.46Å; L251-W255 PolarHBondContact O-N 3.28Å; L251-W255 VanDerWaalsContact O-N 3.17Å; L251-L258 HydrophobicContact CD1-CB 4.4Å; L251-L258 HydrophobicContact CD1-CD1 3.97Å; L251-I259 HydrophobicContact CD1-CD1 4.1Å; L251-V270 HydrophobicContact CD2-CG1 4.23Å; L251-A383 HydrophobicContact CB-CB 4.21Å; L251-L386 HydrophobicContact CD2-CB 3.93Å; L251-L386 HydrophobicContact CD2-CD1 4.43Å
252	I	98.4	Very high	98	Very high	39 Å²	39	51 Å²	51	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-44.6	-178.7	-70.4	170.9	0	0	0	110.7	L248 E249 H254 W255 P267 V301 N304	L248-I252 HydrophobicContact CD1-CD1 4.02Å; L248-I252 HydrophobicContact CD1-CG1 4.45Å; L248-I252 HydrophobicContact CG-CD1 3.98Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.11Å; E249-I252 PolarHBondContact O-N 3.38Å; E249-I252 VanDerWaalsContact O-N 3.16Å; I252-H254 VanDerWaalsContact C-N 3.3Å; I252-H254 PolarHBondContact O-N 3.32Å; I252-W255 WeakPolarHBondContact O-CB 3.32Å; I252-W255 PolarHBondContact O-N 2.96Å; I252-P267 HydrophobicContact CG1-CB 4.4Å; I252-P267 HydrophobicContact CG2-CB 4.22Å; I252-V301 HydrophobicContact CD1-CG1 3.94Å; I252-N304 HydrophobicContact CD1-CB 4.22Å
253	T	98.3	Very high	97.9	Very high	86 Å²	86	51.4 Å²	51.4	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-32.8	-178.9	-65.4	0	0	0	0	112.2	E249	E249-T253 WeakPolarHBondContact O-CB 3.45Å; E249-T253 PolarHBondContact O-N 3.38Å; E249-T253 PolarHBondContact O-OG1 2.99Å; E249-T253 WeakPolarHBondContact OE1-CB 3.44Å; E249-T253 PolarHBondContact OE1-OG1 3.45Å
254	H	98.4	Very high	97.8	Very high	58 Å²	58	59.2 Å²	59.2	27%	0.269	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	29	-179.6	-56.8	81.5	0	0	0	112.4	Y250 L251 I252 D256 Q257 L258	Y250-H254 HydrophobicContact CD1-CB 4.44Å; Y250-H254 AromaticContact CD1-ND1 3.63Å; Y250-H254 AromaticContact CD2-CE1 3.84Å; Y250-H254 AromaticContact CD2-ND1 3.93Å; Y250-H254 HydrophobicContact CE1-CB 4.13Å; Y250-H254 AromaticContact CE1-CG 3.76Å; Y250-H254 AromaticContact CE1-ND1 3.55Å; Y250-H254 AromaticContact CE2-CE1 3.58Å; Y250-H254 AromaticContact CE2-ND1 3.89Å; Y250-H254 AromaticContact CG-ND1 3.8Å; Y250-H254 AromaticContact CZ-CE1 3.66Å; Y250-H254 AromaticContact CZ-CG 4Å; Y250-H254 AromaticContact CZ-ND1 3.68Å; Y250-H254 AromaticContact CZ-NE2 3.95Å; Y250-H254 WeakPolarHBondContact O-CB 3.29Å; Y250-H254 PolarHBondContact O-N 2.94Å; Y250-H254 PolarHBondContact O-ND1 3.22Å; L251-H254 CarbonylContact O-C 3.58Å; I252-H254 VanDerWaalsContact C-N 3.3Å; I252-H254 PolarHBondContact O-N 3.32Å; H254-D256 PolarHBondContact O-N 2.76Å; H254-Q257 HydrophobicContact CB-CB 4.47Å; H254-Q257 WeakPolarHBondContact O-CB 3.19Å; H254-Q257 PolarHBondContact O-N 2.97Å; H254-Q257 VanDerWaalsContact O-N 3.08Å; H254-L258 HydrophobicContact CB-CD1 4.05Å; H254-L258 HydrophobicContact CB-CG 4.23Å; H254-L258 WeakPolarHBondContact O-CG 3.18Å; H254-L258 PolarHBondContact O-N 3.29Å; H254-L258 VanDerWaalsContact O-N 3.07Å
255	W	98.5	Very high	97.8	Very high	27 Å²	27	60.6 Å²	60.6	10%	0.102	32%	0.316	C	S	.	.	H	α-helix	trans	-51.8	-53.1	-173.3	-172	-92.5	0	0	0	112.7	L251 I252 Q257 L258 I259 I265 K266 P267 V270 V390	L251-W255 HydrophobicContact CG-CE3 4.47Å; L251-W255 HydrophobicContact CG-CZ3 4.39Å; L251-W255 WeakPolarHBondContact O-CA 3.46Å; L251-W255 PolarHBondContact O-N 3.28Å; L251-W255 VanDerWaalsContact O-N 3.17Å; I252-W255 WeakPolarHBondContact O-CB 3.32Å; I252-W255 PolarHBondContact O-N 2.96Å; W255-Q257 PolarHBondContact O-N 3.4Å; W255-Q257 VanDerWaalsContact O-N 3.16Å; W255-L258 PolarHBondContact O-N 3.4Å; W255-L258 VanDerWaalsContact O-N 3.08Å; W255-I259 HydrophobicContact CD2-CB 4.26Å; W255-I259 HydrophobicContact CD2-CG1 3.57Å; W255-I259 HydrophobicContact CE3-CG1 3.81Å; W255-I259 HydrophobicContact CG-CB 4.46Å; W255-I259 HydrophobicContact CG-CG1 4.1Å; W255-I259 HydrophobicContact CH2-CG1 4.01Å; W255-I259 HydrophobicContact CZ2-CB 4.26Å; W255-I259 HydrophobicContact CZ2-CG1 3.77Å; W255-I259 HydrophobicContact CZ2-CG2 3.92Å; W255-I259 HydrophobicContact CZ3-CG1 4.03Å; W255-I259 WeakPolarHBondContact O-CB 3.3Å; W255-I259 PolarHBondContact O-N 3Å; W255-I265 HydrophobicContact CH2-CG2 4.06Å; W255-I265 HydrophobicContact CZ2-CG2 4.28Å; W255-I265 VanDerWaalsContact CZ2-O 3.27Å; W255-I265 WeakPolarHBondContact CZ2-O 3.33Å; W255-K266 VanDerWaalsContact CZ2-C 3.47Å; W255-P267 HydrophobicContact CB-CG 4.27Å; W255-P267 HydrophobicContact CD2-CB 4.36Å; W255-P267 HydrophobicContact CD2-CG 3.57Å; W255-P267 HydrophobicContact CE3-CB 4.14Å; W255-P267 HydrophobicContact CE3-CG 3.85Å; W255-P267 HydrophobicContact CG-CG 3.76Å; W255-P267 HydrophobicContact CZ3-CB 4.43Å; W255-P267 HydrophobicContact CZ3-CG 4.45Å; W255-V270 HydrophobicContact CH2-CG2 3.6Å; W255-V270 HydrophobicContact CZ3-CG2 3.69Å; W255-V390 HydrophobicContact CH2-CG1 3.84Å; W255-V390 HydrophobicContact CZ2-CG1 4.13Å
256	D	97.3	Very high	97.7	Very high	156 Å²	156	66.3 Å²	66.3	83%	0.834	34%	0.341	S	S	*	.	H	α-helix	trans	-66.4	-20.2	-176	-59	-31	0	0	0	113.4	H254	H254-D256 PolarHBondContact O-N 2.76Å
257	Q	97.9	Very high	97.7	Very high	142 Å²	142	63.7 Å²	63.7	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-84	-35.4	174.8	-179.6	-175.7	-11.3	0	0	111.8	H254 W255	H254-Q257 HydrophobicContact CB-CB 4.47Å; H254-Q257 WeakPolarHBondContact O-CB 3.19Å; H254-Q257 PolarHBondContact O-N 2.97Å; H254-Q257 VanDerWaalsContact O-N 3.08Å; W255-Q257 PolarHBondContact O-N 3.4Å; W255-Q257 VanDerWaalsContact O-N 3.16Å
258	L	98.3	Very high	97.6	Very high	21 Å²	21	68.5 Å²	68.5	11%	0.11	36%	0.359	C	S	.	.	H	α-helix	trans	-97.6	-27.1	-169.3	-66.1	178.5	0	0	0	113.5	Y250 L251 H254 W255 N384 N391	Y250-L258 HydrophobicContact CD1-CD1 4.2Å; Y250-L258 HydrophobicContact CE1-CD1 4.24Å; L251-L258 HydrophobicContact CD1-CB 4.4Å; L251-L258 HydrophobicContact CD1-CD1 3.97Å; H254-L258 HydrophobicContact CB-CD1 4.05Å; H254-L258 HydrophobicContact CB-CG 4.23Å; H254-L258 WeakPolarHBondContact O-CG 3.18Å; H254-L258 PolarHBondContact O-N 3.29Å; H254-L258 VanDerWaalsContact O-N 3.07Å; W255-L258 PolarHBondContact O-N 3.4Å; W255-L258 VanDerWaalsContact O-N 3.08Å; L258-N384 WeakPolarHBondContact CD2-OD1 3.25Å; L258-N391 PolarHBondContact O-ND2 3.17Å
259	I	98.4	Very high	97.5	Very high	12 Å²	12	69 Å²	69	6%	0.062	36%	0.361	C	S	.	.	S	Bend	trans	-105.4	132	-174.2	-54.2	-49	0	0	0	109.8	L251 W255 S261 V263 V390 N391	L251-I259 HydrophobicContact CD1-CD1 4.1Å; W255-I259 HydrophobicContact CD2-CB 4.26Å; W255-I259 HydrophobicContact CD2-CG1 3.57Å; W255-I259 HydrophobicContact CE3-CG1 3.81Å; W255-I259 HydrophobicContact CG-CB 4.46Å; W255-I259 HydrophobicContact CG-CG1 4.1Å; W255-I259 HydrophobicContact CH2-CG1 4.01Å; W255-I259 HydrophobicContact CZ2-CB 4.26Å; W255-I259 HydrophobicContact CZ2-CG1 3.77Å; W255-I259 HydrophobicContact CZ2-CG2 3.92Å; W255-I259 HydrophobicContact CZ3-CG1 4.03Å; W255-I259 WeakPolarHBondContact O-CB 3.3Å; W255-I259 PolarHBondContact O-N 3Å; I259-S261 PolarHBondContact O-N 3.48Å; I259-V263 HydrophobicContact CG2-CB 4.12Å; I259-V263 HydrophobicContact CG2-CG1 4.36Å; I259-V390 HydrophobicContact CD1-CB 3.66Å; I259-V390 HydrophobicContact CD1-CG1 3.61Å; I259-V390 HydrophobicContact CD1-CG2 4.2Å; I259-V390 HydrophobicContact CG1-CG1 4.17Å; I259-V390 HydrophobicContact CG2-CG1 3.91Å; I259-N391 VanDerWaalsContact CA-OD1 3.31Å; I259-N391 WeakPolarHBondContact CA-OD1 3.42Å
260	D	96.8	Very high	97.5	Very high	81 Å²	81	66.8 Å²	66.8	43%	0.433	35%	0.351	S	S	.	.			trans	-64.5	129.1	175.6	-171.8	-45.2	0	0	0	109.6	T262 V263 N391	D260-T262 PolarHBondContact O-N 3.3Å; D260-T262 WeakPolarHBondContact OD1-CB 3.28Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.47Å; D260-T262 PolarHBondContact OD1-N 3.12Å; D260-T262 PolarHBondContact OD1-OG1 3.33Å; D260-V263 HydrophobicContact CB-CG2 4.04Å; D260-V263 WeakPolarHBondContact O-CB 3.25Å; D260-V263 PolarHBondContact O-N 3.2Å; D260-N391 PolarHBondContact N-OD1 3.3Å
261	S	94.9	Very high	97.5	Very high	121 Å²	121	65 Å²	65	85%	0.846	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.1	179.2	60.3	0	0	0	0	115	I259 V263	I259-S261 PolarHBondContact O-N 3.48Å; S261-V263 VanDerWaalsContact C-N 3.34Å
262	T	96.1	Very high	97.5	Very high	112 Å²	112	65.1 Å²	65.1	69%	0.687	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.3	176.6	60.4	0	0	0	0	113.5	D260	D260-T262 PolarHBondContact O-N 3.3Å; D260-T262 WeakPolarHBondContact OD1-CB 3.28Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.47Å; D260-T262 PolarHBondContact OD1-N 3.12Å; D260-T262 PolarHBondContact OD1-OG1 3.33Å
263	V	96	Very high	97.5	Very high	33 Å²	33	63.2 Å²	63.2	20%	0.2	34%	0.335	C	S	.	.			trans	-81.7	126.1	-178.3	176.4	0	0	0	0	110.2	I259 D260 S261 I265 V390	I259-V263 HydrophobicContact CG2-CB 4.12Å; I259-V263 HydrophobicContact CG2-CG1 4.36Å; D260-V263 HydrophobicContact CB-CG2 4.04Å; D260-V263 WeakPolarHBondContact O-CB 3.25Å; D260-V263 PolarHBondContact O-N 3.2Å; S261-V263 VanDerWaalsContact C-N 3.34Å; V263-I265 HydrophobicContact CG1-CB 3.74Å; V263-I265 HydrophobicContact CG1-CG1 3.69Å; V263-I265 PolarHBondContact O-N 3.39Å; V263-V390 HydrophobicContact CG1-CG1 4.21Å
264	E	95.5	Very high	97.5	Very high	169 Å²	169	59.1 Å²	59.1	79%	0.79	31%	0.31	S	S	*	.			trans	-75.8	-7.4	-179.5	-63.2	-172.9	168.8	0	0	114.7
265	I	97.2	Very high	97.4	Very high	28 Å²	28	56.4 Å²	56.4	14%	0.144	30%	0.297	C	S	.	.			trans	-68.5	137.9	176.9	-53.9	-59.3	0	0	0	108.8	K226 I227 W255 V263 N269 V270 V390	K226-I265 HydrophobicContact CB-CD1 3.91Å; K226-I265 HydrophobicContact CD-CD1 3.48Å; K226-I265 VanDerWaalsContact CD-CD1 3.48Å; K226-I265 HydrophobicContact CG-CD1 4.34Å; I227-I265 HydrophobicContact CG1-CG1 4.48Å; I227-I265 HydrophobicContact CG1-CG2 4.09Å; W255-I265 HydrophobicContact CH2-CG2 4.06Å; W255-I265 HydrophobicContact CZ2-CG2 4.28Å; W255-I265 VanDerWaalsContact CZ2-O 3.27Å; W255-I265 WeakPolarHBondContact CZ2-O 3.33Å; V263-I265 HydrophobicContact CG1-CB 3.74Å; V263-I265 HydrophobicContact CG1-CG1 3.69Å; V263-I265 PolarHBondContact O-N 3.39Å; I265-N269 HydrophobicContact CG2-CB 3.84Å; I265-V270 HydrophobicContact CG2-CG2 4.26Å; I265-V390 HydrophobicContact CB-CG1 4.04Å; I265-V390 HydrophobicContact CG2-CG1 4Å
266	K	97.5	Very high	97	Very high	120 Å²	120	55.2 Å²	55.2	52%	0.522	29%	0.294	S	S	.	.			trans	-111	164.2	174.7	-63.8	-177.5	-176.7	179.5	0	110.9	W255 E268 N269	W255-K266 VanDerWaalsContact CZ2-C 3.47Å; K266-E268 HydrophobicContact CB-CG 3.97Å; K266-E268 PolarHBondContact O-N 3.22Å; K266-E268 VanDerWaalsContact O-N 3.16Å; K266-N269 PolarHBondContact N-OD1 2.81Å; K266-N269 WeakPolarHBondContact O-CB 3.26Å; K266-N269 PolarHBondContact O-N 3.29Å
267	P	97.9	Very high	96.6	Very high	42 Å²	42	49.3 Å²	49.3	27%	0.273	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-51.8	-39.9	175.7	-27.1	32.5	0	0	0	113.8	I252 W255 N269 V270 N304	I252-P267 HydrophobicContact CG1-CB 4.4Å; I252-P267 HydrophobicContact CG2-CB 4.22Å; W255-P267 HydrophobicContact CB-CG 4.27Å; W255-P267 HydrophobicContact CD2-CB 4.36Å; W255-P267 HydrophobicContact CD2-CG 3.57Å; W255-P267 HydrophobicContact CE3-CB 4.14Å; W255-P267 HydrophobicContact CE3-CG 3.85Å; W255-P267 HydrophobicContact CG-CG 3.76Å; W255-P267 HydrophobicContact CZ3-CB 4.43Å; W255-P267 HydrophobicContact CZ3-CG 4.45Å; P267-N269 PolarHBondContact O-N 3.05Å; P267-V270 PolarHBondContact O-N 3.37Å; P267-N304 PolarHBondContact O-ND2 2.84Å
268	E	97.1	Very high	96.4	Very high	102 Å²	102	44.2 Å²	44.2	48%	0.477	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.8	-14.5	177.8	65.8	-170.3	-159.2	0	0	114.5	K224 K266	K224-E268 HydrophobicContact CD-CB 4.45Å; K224-E268 WeakPolarHBondContact CD-O 3.4Å; K224-E268 WeakPolarHBondContact CE-O 3.38Å; K224-E268 WeakPolarHBondContact CG-O 3.31Å; K266-E268 HydrophobicContact CB-CG 3.97Å; K266-E268 PolarHBondContact O-N 3.22Å; K266-E268 VanDerWaalsContact O-N 3.16Å
269	N	97.7	Very high	96	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.07	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-91.7	-7.1	178	-56.9	141.7	0	0	0	113.3	K224 K226 I227 I265 K266 P267	K224-N269 WeakPolarHBondContact O-CA 3.17Å; K224-N269 PolarHBondContact O-ND2 3.31Å; K226-N269 HydrophobicContact CB-CB 4.08Å; K226-N269 HydrophobicContact CD-CB 4.1Å; K226-N269 HydrophobicContact CG-CB 4.04Å; K226-N269 PolarHBondContact N-O 2.9Å; I227-N269 PolarHBondContact N-O 2.77Å; I265-N269 HydrophobicContact CG2-CB 3.84Å; K266-N269 PolarHBondContact N-OD1 2.81Å; K266-N269 WeakPolarHBondContact O-CB 3.26Å; K266-N269 PolarHBondContact O-N 3.29Å; P267-N269 PolarHBondContact O-N 3.05Å
270	V	98.3	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.7	175.2	-177.9	0	0	0	0	109.1	I227 F229 L248 L251 W255 I265 P267 N304 V390	I227-V270 HydrophobicContact CB-CG2 4.27Å; I227-V270 WeakPolarHBondContact O-CA 3.32Å; F229-V270 HydrophobicContact CD2-CG1 3.93Å; F229-V270 HydrophobicContact CE2-CG1 3.69Å; L248-V270 HydrophobicContact CD1-CG1 4.05Å; L251-V270 HydrophobicContact CD2-CG1 4.23Å; W255-V270 HydrophobicContact CH2-CG2 3.6Å; W255-V270 HydrophobicContact CZ3-CG2 3.69Å; I265-V270 HydrophobicContact CG2-CG2 4.26Å; P267-V270 PolarHBondContact O-N 3.37Å; V270-N304 PolarHBondContact O-ND2 2.84Å; V270-V390 HydrophobicContact CG2-CG2 4.07Å
271	H	98.4	Very high	95.4	Very high	4 Å²	4	60 Å²	60	2%	0.019	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.6	-176.5	-158.7	77.1	0	0	0	112.1	P222 A225 I227 I228 F229 N304 V305 T306	P222-H271 WeakPolarHBondContact CD-NE2 3.39Å; P222-H271 VanDerWaalsContact CG-CE1 3.43Å; P222-H271 WeakPolarHBondContact CG-CE1 3.34Å; A225-H271 HydrophobicContact CB-CB 3.61Å; I227-H271 PolarHBondContact O-N 2.64Å; I228-H271 WeakPolarHBondContact CA-O 3.34Å; I228-H271 HydrophobicContact CD1-CB 3.83Å; F229-H271 PolarHBondContact N-O 3.46Å; H271-N304 WeakPolarHBondContact CA-O 3.46Å; H271-N304 VanDerWaalsContact ND1-C 3.25Å; H271-N304 PolarHBondContact ND1-O 2.85Å; H271-V305 PolarHBondContact CE1-N 3.18Å; H271-T306 PolarHBondContact NE2-N 2.89Å; H271-T306 PolarHBondContact NE2-OG1 3.16Å
272	L	98.6	Very high	95.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	177.1	173.7	61.5	0	0	0	110.2	F229 A244 L245 L248 I274 N304 V305 T306 M327	F229-L272 HydrophobicContact CB-CD1 4.01Å; F229-L272 CarbonylContact O-C 3.58Å; F229-L272 WeakPolarHBondContact O-CA 3.06Å; A244-L272 HydrophobicContact CB-CD2 3.86Å; L245-L272 HydrophobicContact CD2-CD2 4.23Å; L248-L272 HydrophobicContact CB-CD2 4.44Å; L248-L272 HydrophobicContact CD2-CB 3.84Å; L248-L272 HydrophobicContact CD2-CD2 4.21Å; L272-I274 HydrophobicContact CD1-CG1 4.41Å; L272-I274 HydrophobicContact CD2-CD1 4Å; L272-I274 HydrophobicContact CD2-CG1 4.03Å; L272-I274 HydrophobicContact CG-CD1 4.46Å; L272-I274 HydrophobicContact CG-CG1 3.95Å; L272-N304 PolarHBondContact N-O 3.06Å; L272-V305 HydrophobicContact CB-CG2 4.35Å; L272-V305 CarbonylContact O-C 3.49Å; L272-V305 VanDerWaalsContact O-CA 3.26Å; L272-V305 WeakPolarHBondContact O-CA 3.49Å; L272-T306 PolarHBondContact O-N 3.25Å; L272-M327 HydrophobicContact CD1-SD 3.68Å
273	I	98.2	Very high	95	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117	172.2	-51.9	173	0	0	0	108.2	I220 I221 I228 F229 V230 S231 T306 L319	I220-I273 HydrophobicContact CG2-CD1 4.23Å; I221-I273 HydrophobicContact CD1-CD1 4.25Å; I221-I273 HydrophobicContact CG1-CD1 3.8Å; I228-I273 HydrophobicContact CG2-CD1 3.85Å; I228-I273 HydrophobicContact CG2-CG1 4.34Å; F229-I273 PolarHBondContact O-N 3.49Å; V230-I273 CarbonylContact C-O 3.48Å; V230-I273 WeakPolarHBondContact CA-O 3.3Å; V230-I273 HydrophobicContact CG2-CB 4.18Å; V230-I273 HydrophobicContact CG2-CD1 4.21Å; S231-I273 PolarHBondContact N-O 2.89Å; I273-T306 CarbonylContact C-O 3.5Å; I273-T306 WeakPolarHBondContact CA-O 3.48Å; I273-L319 HydrophobicContact CD1-CD2 3.8Å; I273-L319 HydrophobicContact CG2-CD1 4.39Å; I273-L319 HydrophobicContact CG2-CD2 4.22Å
274	I	98.1	Very high	95	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.7	172.6	-59.8	-177.6	0	0	0	107.7	Y235 L241 L245 L272 V305 T306 F307 M308	Y235-I274 HydrophobicContact CE1-CG2 4.07Å; Y235-I274 PolarHBondContact OH-O 3.18Å; L241-I274 HydrophobicContact CD1-CG2 4.08Å; L241-I274 HydrophobicContact CD2-CG2 4.2Å; L245-I274 HydrophobicContact CD1-CD1 4.41Å; L245-I274 HydrophobicContact CD2-CD1 3.71Å; L245-I274 HydrophobicContact CG-CD1 3.86Å; L272-I274 HydrophobicContact CD1-CG1 4.41Å; L272-I274 HydrophobicContact CD2-CD1 4Å; L272-I274 HydrophobicContact CD2-CG1 4.03Å; L272-I274 HydrophobicContact CG-CD1 4.46Å; L272-I274 HydrophobicContact CG-CG1 3.95Å; I274-V305 HydrophobicContact CD1-CG1 4.41Å; I274-V305 HydrophobicContact CG1-CG1 4.5Å; I274-T306 PolarHBondContact N-O 3.38Å; I274-F307 HydrophobicContact CB-CD1 3.91Å; I274-F307 HydrophobicContact CB-CE1 4.07Å; I274-F307 HydrophobicContact CD1-CD1 4.45Å; I274-F307 HydrophobicContact CD1-CE1 3.74Å; I274-F307 HydrophobicContact CD1-CZ 4.28Å; I274-F307 HydrophobicContact CG1-CE1 4.38Å; I274-F307 HydrophobicContact CG2-CD1 4.16Å; I274-F307 HydrophobicContact CG2-CE1 4.28Å; I274-F307 WeakPolarHBondContact O-CA 3.22Å; I274-M308 PolarHBondContact O-N 3.28Å
275	A	96.5	Very high	95	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142	178.5	0	0	0	0	0	110.5	S231 I232 N233 M308 L319	S231-A275 PolarHBondContact O-N 2.85Å; I232-A275 VanDerWaalsContact CA-O 3.27Å; I232-A275 WeakPolarHBondContact CA-O 3.22Å; I232-A275 HydrophobicContact CG1-CB 4.49Å; N233-A275 PolarHBondContact N-O 3.09Å; N233-A275 VanDerWaalsContact N-O 3.15Å; A275-M308 WeakPolarHBondContact CA-O 3.35Å; A275-M308 HydrophobicContact CB-CB 4.22Å; A275-M308 HydrophobicContact CB-CE 3.84Å; A275-L319 HydrophobicContact CB-CD1 3.93Å
276	G	89.9	Confident	95	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	154.2	-175.7	0	0	0	0	0	117.3	N233 Y235 Y278 M308 S310	N233-G276 WeakPolarHBondContact O-CA 3.37Å; Y235-G276 WeakPolarHBondContact CE2-O 3.39Å; G276-Y278 PolarHBondContact O-N 3.16Å; G276-M308 PolarHBondContact N-O 3.49Å; G276-S310 VanDerWaalsContact O-CA 3.26Å; G276-S310 WeakPolarHBondContact O-CA 3.28Å; G276-S310 PolarHBondContact O-N 3.19Å
277	G	89.8	Confident	95	Very high	32 Å²	32	49 Å²	49	33%	0.33	24%	0.238	S	C	.	.			trans	-59.2	123.2	169.2	0	0	0	0	0	110	Y235	Y235-G277 WeakPolarHBondContact CD2-O 3.4Å; Y235-G277 PolarHBondContact N-O 2.55Å; Y235-G277 VanDerWaalsContact N-O 3.11Å
278	Y	92.6	Very high	95	Very high	35 Å²	35	47.6 Å²	47.6	14%	0.137	23%	0.228	C	C	.	.			trans	-133.6	111.5	-177.5	-178.6	-88	0	0	0	109.2	Y235 G276 R280 N285 V286 Y289 R309 S310	Y235-Y278 HydrophobicContact CD2-CD2 4.01Å; Y235-Y278 HydrophobicContact CD2-CG 4.46Å; G276-Y278 PolarHBondContact O-N 3.16Å; Y278-R280 HydrophobicContact CD1-CG 4.43Å; Y278-R280 HydrophobicContact CE1-CG 3.69Å; Y278-N285 HydrophobicContact CD2-CB 4.29Å; Y278-N285 WeakPolarHBondContact CE2-O 3.42Å; Y278-V286 HydrophobicContact CE2-CG2 4.45Å; Y278-Y289 HydrophobicContact CD2-CD2 4.48Å; Y278-Y289 HydrophobicContact CD2-CG 4.39Å; Y278-Y289 HydrophobicContact CE2-CD1 4.49Å; Y278-Y289 HydrophobicContact CE2-CD2 4.49Å; Y278-Y289 HydrophobicContact CE2-CG 4.01Å; Y278-R309 HydrophobicContact CD1-CB 4.14Å; Y278-R309 HydrophobicContact CD1-CG 4.26Å; Y278-R309 HydrophobicContact CD2-CB 4.46Å; Y278-R309 HydrophobicContact CD2-CG 3.93Å; Y278-R309 HydrophobicContact CE2-CG 4.29Å; Y278-R309 HydrophobicContact CG-CB 3.93Å; Y278-R309 HydrophobicContact CG-CG 3.91Å; Y278-S310 PolarHBondContact N-OG 3.09Å; Y278-S310 PolarHBondContact O-OG 3.42Å
279	D	90.2	Very high	95	Very high	42 Å²	42	44.9 Å²	44.9	23%	0.225	21%	0.213	C	C	.	.			trans	-111.6	120.4	172.4	-170.7	-22	0	0	0	109.6	R281 V282 N285	D279-R281 PolarHBondContact O-N 2.8Å; D279-R281 VanDerWaalsContact O-N 3.12Å; D279-R281 VanDerWaalsContact OD1-CB 3.26Å; D279-R281 WeakPolarHBondContact OD1-CB 3.47Å; D279-R281 WeakPolarHBondContact OD1-CG 3.48Å; D279-R281 IonicContact OD1-CZ 2.72Å; D279-R281 PolarHBondContact OD1-N 3.09Å; D279-R281 IonicContact OD1-NE 3.51Å; D279-R281 PolarHBondContact OD1-NE 3.18Å; D279-R281 IonicContact OD1-NH2 3.57Å; D279-R281 IonicContact OD2-CZ 3.17Å; D279-R281 IonicContact OD2-NE 2.79Å; D279-R281 PolarHBondContact OD2-NE 2.89Å; D279-R281 VanDerWaalsContact OD2-NE 3.15Å; D279-R281 IonicContact OD2-NH2 3.51Å; D279-R281 PolarHBondContact OD2-NH2 2.85Å; D279-V282 HydrophobicContact CB-CB 4.25Å; D279-V282 HydrophobicContact CB-CG2 3.85Å; D279-V282 PolarHBondContact O-N 2.95Å; D279-N285 PolarHBondContact N-OD1 3.49Å; D279-N285 VanDerWaalsContact N-OD1 3.16Å
280	R	91.7	Very high	95	Very high	195 Å²	195	48.2 Å²	48.2	74%	0.736	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.9	178.3	-70.2	-177.5	-179.5	-171.4	1.3	113.1	Y278 V282	Y278-R280 HydrophobicContact CD1-CG 4.43Å; Y278-R280 HydrophobicContact CE1-CG 3.69Å; R280-V282 VanDerWaalsContact C-N 3.32Å
281	R	91.2	Very high	95	Very high	207 Å²	207	52.3 Å²	52.3	78%	0.781	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.5	177.6	-56.1	171.1	-65.4	178.8	4.4	112.1	D279	D279-R281 PolarHBondContact O-N 2.8Å; D279-R281 VanDerWaalsContact O-N 3.12Å; D279-R281 VanDerWaalsContact OD1-CB 3.26Å; D279-R281 WeakPolarHBondContact OD1-CB 3.47Å; D279-R281 WeakPolarHBondContact OD1-CG 3.48Å; D279-R281 IonicContact OD1-CZ 2.72Å; D279-R281 PolarHBondContact OD1-N 3.09Å; D279-R281 IonicContact OD1-NE 3.51Å; D279-R281 PolarHBondContact OD1-NE 3.18Å; D279-R281 IonicContact OD1-NH2 3.57Å; D279-R281 IonicContact OD2-CZ 3.17Å; D279-R281 IonicContact OD2-NE 2.79Å; D279-R281 PolarHBondContact OD2-NE 2.89Å; D279-R281 VanDerWaalsContact OD2-NE 3.15Å; D279-R281 IonicContact OD2-NH2 3.51Å; D279-R281 PolarHBondContact OD2-NH2 2.85Å
282	V	88.9	Confident	95	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.291	25%	0.253	S	S	.	.			trans	-97.3	102.1	177.9	-179.3	0	0	0	0	108.4	D279 R280 E284 N285 V286	D279-V282 HydrophobicContact CB-CB 4.25Å; D279-V282 HydrophobicContact CB-CG2 3.85Å; D279-V282 PolarHBondContact O-N 2.95Å; R280-V282 VanDerWaalsContact C-N 3.32Å; V282-E284 HydrophobicContact CG1-CB 4.38Å; V282-E284 PolarHBondContact O-N 3.35Å; V282-N285 HydrophobicContact CB-CB 4.25Å; V282-N285 HydrophobicContact CG1-CB 4.35Å; V282-N285 WeakPolarHBondContact O-CB 3.34Å; V282-N285 PolarHBondContact O-N 3.07Å; V282-V286 PolarHBondContact O-N 3.19Å
283	V	94.4	Very high	95	Very high	98 Å²	98	54.1 Å²	54.1	59%	0.594	26%	0.264	S	S	*	.	H	α-helix	trans	-51.1	-44	-177	175.9	0	0	0	0	112.1	N285 V286 E287	V283-N285 VanDerWaalsContact C-N 3.27Å; V283-N285 PolarHBondContact O-N 3.4Å; V283-V286 PolarHBondContact O-N 3.17Å; V283-V286 VanDerWaalsContact O-N 3.11Å; V283-E287 HydrophobicContact CG1-CG 4.12Å; V283-E287 VanDerWaalsContact CG1-OE1 3.3Å; V283-E287 WeakPolarHBondContact CG1-OE1 3.49Å; V283-E287 PolarHBondContact O-N 2.86Å
284	E	95.3	Very high	95	Very high	71 Å²	71	57 Å²	57	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-57.3	-37.7	177.9	177.9	174.2	-165.3	0	0	112.7	R237 V282 V286 Y288	R237-E284 PolarHBondContact N-OE1 3.4Å; V282-E284 HydrophobicContact CG1-CB 4.38Å; V282-E284 PolarHBondContact O-N 3.35Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.34Å; E284-Y288 WeakPolarHBondContact O-CB 3.47Å; E284-Y288 PolarHBondContact O-N 2.89Å
285	N	95.5	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-38.9	179.4	-68.1	-173.4	0	0	0	111.6	Y235 Y278 D279 V282 V283 Y289	Y235-N285 VanDerWaalsContact O-CA 3.28Å; Y235-N285 WeakPolarHBondContact O-CA 3.05Å; Y235-N285 PolarHBondContact O-ND2 3.01Å; Y278-N285 HydrophobicContact CD2-CB 4.29Å; Y278-N285 WeakPolarHBondContact CE2-O 3.42Å; D279-N285 PolarHBondContact N-OD1 3.49Å; D279-N285 VanDerWaalsContact N-OD1 3.16Å; V282-N285 HydrophobicContact CB-CB 4.25Å; V282-N285 HydrophobicContact CG1-CB 4.35Å; V282-N285 WeakPolarHBondContact O-CB 3.34Å; V282-N285 PolarHBondContact O-N 3.07Å; V283-N285 VanDerWaalsContact C-N 3.27Å; V283-N285 PolarHBondContact O-N 3.4Å; N285-Y289 VanDerWaalsContact O-CB 3.23Å; N285-Y289 WeakPolarHBondContact O-CB 3.14Å; N285-Y289 PolarHBondContact O-N 3.01Å
286	V	96.8	Very high	95.2	Very high	47 Å²	47	58.5 Å²	58.5	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-69.9	-49.2	-179.7	-178	0	0	0	0	110.8	Y278 V282 V283 E284 T290	Y278-V286 HydrophobicContact CE2-CG2 4.45Å; V282-V286 PolarHBondContact O-N 3.19Å; V283-V286 PolarHBondContact O-N 3.17Å; V283-V286 VanDerWaalsContact O-N 3.11Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.34Å; V286-T290 PolarHBondContact O-N 3.01Å; V286-T290 PolarHBondContact O-OG1 2.89Å
287	E	97.9	Very high	95.6	Very high	90 Å²	90	64.1 Å²	64.1	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-51.6	179.3	-69.4	176.7	173.4	0	0	111.2	R237 V283 Y289 T290 E291	R237-E287 IonicContact CZ-OE2 3.15Å; R237-E287 IonicContact NH1-OE2 2.67Å; R237-E287 IonicContact NH2-OE2 2.84Å; R237-E287 PolarHBondContact NH2-OE2 2.83Å; V283-E287 HydrophobicContact CG1-CG 4.12Å; V283-E287 VanDerWaalsContact CG1-OE1 3.3Å; V283-E287 WeakPolarHBondContact CG1-OE1 3.49Å; V283-E287 PolarHBondContact O-N 2.86Å; E287-Y289 VanDerWaalsContact C-N 3.34Å; E287-Y289 PolarHBondContact O-N 2.91Å; E287-T290 WeakPolarHBondContact O-CA 3.48Å; E287-T290 WeakPolarHBondContact O-CB 3.42Å; E287-T290 PolarHBondContact O-N 3.23Å; E287-E291 WeakPolarHBondContact O-CG 3.41Å; E287-E291 PolarHBondContact O-N 2.95Å
288	Y	97.6	Very high	96	Very high	12 Å²	12	67.5 Å²	67.5	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-67.9	-34.5	-174.1	-170.5	-133.9	0	0	0	112.5	E236 R237 L241 S242 E284 T290 E291 L292	E236-Y288 VanDerWaalsContact O-CE1 3.3Å; E236-Y288 WeakPolarHBondContact O-CE1 3.34Å; R237-Y288 HydrophobicContact CG-CD1 4.33Å; R237-Y288 HydrophobicContact CG-CD2 3.58Å; R237-Y288 HydrophobicContact CG-CE2 3.9Å; R237-Y288 HydrophobicContact CG-CG 3.81Å; L241-Y288 HydrophobicContact CB-CE1 4.06Å; L241-Y288 HydrophobicContact CD1-CE1 4.14Å; L241-Y288 HydrophobicContact CG-CE1 4.32Å; L241-Y288 PolarHBondContact N-OH 3.22Å; L241-Y288 VanDerWaalsContact N-OH 3.12Å; S242-Y288 PolarHBondContact N-OH 2.94Å; S242-Y288 PolarHBondContact OG-OH 2.98Å; E284-Y288 WeakPolarHBondContact O-CB 3.47Å; E284-Y288 PolarHBondContact O-N 2.89Å; Y288-T290 VanDerWaalsContact C-N 3.3Å; Y288-T290 PolarHBondContact O-N 3.01Å; Y288-E291 HydrophobicContact CD2-CB 4.29Å; Y288-E291 WeakPolarHBondContact CD2-OE2 3.43Å; Y288-E291 PolarHBondContact O-N 3.39Å; Y288-L292 HydrophobicContact CD1-CD1 3.98Å; Y288-L292 HydrophobicContact CD2-CG 4.25Å; Y288-L292 HydrophobicContact CE1-CD1 3.84Å; Y288-L292 HydrophobicContact CE1-CD2 4.49Å; Y288-L292 HydrophobicContact CE1-CG 4.33Å; Y288-L292 HydrophobicContact CE2-CD1 4.42Å; Y288-L292 HydrophobicContact CE2-CD2 4.03Å; Y288-L292 HydrophobicContact CE2-CG 4.02Å; Y288-L292 HydrophobicContact CG-CD1 4.36Å; Y288-L292 VanDerWaalsContact O-CG 3.23Å; Y288-L292 WeakPolarHBondContact O-CG 3.28Å; Y288-L292 PolarHBondContact O-N 3.33Å
289	Y	98	Very high	96.3	Very high	45 Å²	45	67.5 Å²	67.5	18%	0.176	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-46.8	169.3	174	-89.1	0	0	0	111.5	Y235 Y278 N285 E287 L292 V293 F307 R309	Y235-Y289 HydrophobicContact CD1-CD2 4.18Å; Y235-Y289 AromaticContact CE1-CD2 3.74Å; Y235-Y289 HydrophobicContact CE1-CD2 3.74Å; Y235-Y289 HydrophobicContact CE2-CD2 4.21Å; Y235-Y289 AromaticContact CZ-CD2 3.75Å; Y278-Y289 HydrophobicContact CD2-CD2 4.48Å; Y278-Y289 HydrophobicContact CD2-CG 4.39Å; Y278-Y289 HydrophobicContact CE2-CD1 4.49Å; Y278-Y289 HydrophobicContact CE2-CD2 4.49Å; Y278-Y289 HydrophobicContact CE2-CG 4.01Å; N285-Y289 VanDerWaalsContact O-CB 3.23Å; N285-Y289 WeakPolarHBondContact O-CB 3.14Å; N285-Y289 PolarHBondContact O-N 3.01Å; E287-Y289 VanDerWaalsContact C-N 3.34Å; E287-Y289 PolarHBondContact O-N 2.91Å; Y289-L292 PolarHBondContact O-N 3.23Å; Y289-V293 HydrophobicContact CD1-CG2 4.32Å; Y289-V293 HydrophobicContact CE1-CG2 3.84Å; Y289-V293 HydrophobicContact CE2-CG2 4.42Å; Y289-V293 WeakPolarHBondContact O-CG2 3.11Å; Y289-V293 PolarHBondContact O-N 2.88Å; Y289-F307 HydrophobicContact CE2-CB 3.83Å; Y289-F307 HydrophobicContact CE2-CG 4.48Å; Y289-R309 HydrophobicContact CD2-CG 3.65Å; Y289-R309 HydrophobicContact CE2-CG 3.33Å; Y289-R309 HydrophobicContact CG-CG 4.42Å
290	T	97.7	Very high	96.7	Very high	83 Å²	83	74.3 Å²	74.3	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-42	-179.5	-52.7	0	0	0	0	111.2	V286 E287 Y288 L292 V293 S294	V286-T290 PolarHBondContact O-N 3.01Å; V286-T290 PolarHBondContact O-OG1 2.89Å; E287-T290 WeakPolarHBondContact O-CA 3.48Å; E287-T290 WeakPolarHBondContact O-CB 3.42Å; E287-T290 PolarHBondContact O-N 3.23Å; Y288-T290 VanDerWaalsContact C-N 3.3Å; Y288-T290 PolarHBondContact O-N 3.01Å; T290-L292 VanDerWaalsContact C-N 3.35Å; T290-L292 PolarHBondContact O-N 3.2Å; T290-V293 PolarHBondContact O-N 3.45Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 3.45Å
291	E	98.3	Very high	97	Very high	86 Å²	86	65.2 Å²	65.2	40%	0.402	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-45.3	173.8	-72.2	170.6	-165.4	0	0	111.7	R237 E287 Y288 S294 L295	R237-E291 IonicContact CZ-OE1 3.9Å; R237-E291 IonicContact CZ-OE2 3.13Å; R237-E291 IonicContact NE-OE1 2.96Å; R237-E291 IonicContact NE-OE2 3.89Å; R237-E291 PolarHBondContact NE-OE2 2.75Å; R237-E291 IonicContact NH2-OE1 3.84Å; R237-E291 PolarHBondContact NH2-OE1 3.16Å; R237-E291 IonicContact NH2-OE2 3.88Å; E287-E291 WeakPolarHBondContact O-CG 3.41Å; E287-E291 PolarHBondContact O-N 2.95Å; Y288-E291 HydrophobicContact CD2-CB 4.29Å; Y288-E291 WeakPolarHBondContact CD2-OE2 3.43Å; Y288-E291 PolarHBondContact O-N 3.39Å; E291-S294 PolarHBondContact O-N 3.23Å; E291-L295 VanDerWaalsContact O-CB 3.26Å; E291-L295 WeakPolarHBondContact O-CB 3.41Å; E291-L295 PolarHBondContact O-N 2.91Å
292	L	98.5	Very high	97.3	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-39.7	179.7	-69.6	167.5	0	0	0	112.7	Y235 L241 L245 Y288 Y289 T290 L295 S296 F307	Y235-L292 HydrophobicContact CD1-CD1 3.83Å; Y235-L292 HydrophobicContact CE1-CD1 4.1Å; L241-L292 HydrophobicContact CB-CD1 3.77Å; L241-L292 HydrophobicContact CB-CD2 3.96Å; L241-L292 HydrophobicContact CD1-CD1 3.81Å; L241-L292 HydrophobicContact CG-CD1 4.46Å; L245-L292 HydrophobicContact CD1-CB 4.29Å; L245-L292 HydrophobicContact CD1-CD2 3.87Å; L245-L292 WeakPolarHBondContact CD1-O 3.46Å; Y288-L292 HydrophobicContact CD1-CD1 3.98Å; Y288-L292 HydrophobicContact CD2-CG 4.25Å; Y288-L292 HydrophobicContact CE1-CD1 3.84Å; Y288-L292 HydrophobicContact CE1-CD2 4.49Å; Y288-L292 HydrophobicContact CE1-CG 4.33Å; Y288-L292 HydrophobicContact CE2-CD1 4.42Å; Y288-L292 HydrophobicContact CE2-CD2 4.03Å; Y288-L292 HydrophobicContact CE2-CG 4.02Å; Y288-L292 HydrophobicContact CG-CD1 4.36Å; Y288-L292 VanDerWaalsContact O-CG 3.23Å; Y288-L292 WeakPolarHBondContact O-CG 3.28Å; Y288-L292 PolarHBondContact O-N 3.33Å; Y289-L292 PolarHBondContact O-N 3.23Å; T290-L292 VanDerWaalsContact C-N 3.35Å; T290-L292 PolarHBondContact O-N 3.2Å; L292-L295 PolarHBondContact O-N 2.78Å; L292-S296 PolarHBondContact O-N 3.4Å; L292-F307 HydrophobicContact CB-CE1 3.69Å; L292-F307 HydrophobicContact CB-CZ 4.09Å; L292-F307 WeakPolarHBondContact O-CZ 3.39Å
293	V	98.5	Very high	97.7	Very high	41 Å²	41	61.7 Å²	61.7	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44.2	175	173.1	0	0	0	0	110.6	Y289 T290 L295 S296 Q297 F307	Y289-V293 HydrophobicContact CD1-CG2 4.32Å; Y289-V293 HydrophobicContact CE1-CG2 3.84Å; Y289-V293 HydrophobicContact CE2-CG2 4.42Å; Y289-V293 WeakPolarHBondContact O-CG2 3.11Å; Y289-V293 PolarHBondContact O-N 2.88Å; T290-V293 PolarHBondContact O-N 3.45Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 3.42Å; V293-S296 PolarHBondContact O-N 2.98Å; V293-S296 PolarHBondContact O-OG 3.17Å; V293-Q297 WeakPolarHBondContact O-CG 3.36Å; V293-Q297 PolarHBondContact O-N 3.35Å; V293-F307 HydrophobicContact CB-CE2 4.46Å; V293-F307 HydrophobicContact CG2-CD1 4.41Å; V293-F307 HydrophobicContact CG2-CD2 3.76Å; V293-F307 HydrophobicContact CG2-CE2 3.94Å; V293-F307 HydrophobicContact CG2-CG 4Å; V293-F307 HydrophobicContact CG2-CZ 4.35Å
294	S	98.7	Very high	97.9	Very high	60 Å²	60	57.8 Å²	57.8	42%	0.42	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-40.2	175.3	-173.2	0	0	0	0	111.3	T290 E291 Q297 T298	T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 3.45Å; E291-S294 PolarHBondContact O-N 3.23Å; S294-Q297 WeakPolarHBondContact O-CB 3.42Å; S294-Q297 PolarHBondContact O-N 3.34Å; S294-T298 PolarHBondContact O-N 3.26Å; S294-T298 PolarHBondContact O-OG1 2.95Å; S294-T298 VanDerWaalsContact O-OG1 3.11Å
295	L	98.7	Very high	98	Very high	29 Å²	29	55 Å²	55	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-42.1	178.9	-179.1	60.2	0	0	0	111.5	L245 Y246 E291 L292 V293 Q297 T298 L299	L245-L295 HydrophobicContact CD1-CB 4.24Å; L245-L295 HydrophobicContact CD1-CD2 3.99Å; L245-L295 HydrophobicContact CD1-CG 4.16Å; Y246-L295 HydrophobicContact CE1-CD1 3.99Å; Y246-L295 HydrophobicContact CE1-CD2 4.4Å; Y246-L295 HydrophobicContact CE2-CD2 4.19Å; E291-L295 VanDerWaalsContact O-CB 3.26Å; E291-L295 WeakPolarHBondContact O-CB 3.41Å; E291-L295 PolarHBondContact O-N 2.91Å; L292-L295 PolarHBondContact O-N 2.78Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 3.42Å; L295-Q297 VanDerWaalsContact C-N 3.26Å; L295-Q297 PolarHBondContact O-N 2.89Å; L295-T298 PolarHBondContact O-N 3.34Å; L295-L299 HydrophobicContact CD1-CD1 3.91Å; L295-L299 HydrophobicContact CD1-CD2 4.49Å; L295-L299 HydrophobicContact CD1-CG 3.93Å; L295-L299 HydrophobicContact CD2-CD1 4.49Å; L295-L299 HydrophobicContact CG-CD1 3.83Å; L295-L299 HydrophobicContact CG-CG 4.27Å; L295-L299 WeakPolarHBondContact O-CB 3.46Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.15Å
296	S	98.7	Very high	98.1	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-33.2	177.7	75.7	0	0	0	0	112.6	L292 V293 K300 V301 S302	L292-S296 PolarHBondContact O-N 3.4Å; V293-S296 PolarHBondContact O-N 2.98Å; V293-S296 PolarHBondContact O-OG 3.17Å; S296-K300 PolarHBondContact O-N 3.37Å; S296-K300 VanDerWaalsContact O-N 3.17Å; S296-V301 PolarHBondContact O-N 2.94Å; S296-S302 PolarHBondContact O-N 2.74Å
297	Q	98.6	Very high	98.2	Very high	121 Å²	121	55.8 Å²	55.8	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-69.5	-46.3	173.1	-66.3	173.7	-21	0	0	111.6	V293 S294 L295 L299 K300	V293-Q297 WeakPolarHBondContact O-CG 3.36Å; V293-Q297 PolarHBondContact O-N 3.35Å; S294-Q297 WeakPolarHBondContact O-CB 3.42Å; S294-Q297 PolarHBondContact O-N 3.34Å; L295-Q297 VanDerWaalsContact C-N 3.26Å; L295-Q297 PolarHBondContact O-N 2.89Å; Q297-L299 VanDerWaalsContact C-N 3.29Å; Q297-L299 PolarHBondContact O-N 3.29Å; Q297-K300 WeakPolarHBondContact O-CA 3.46Å; Q297-K300 PolarHBondContact O-N 3.01Å
298	T	98.6	Very high	98	Very high	104 Å²	104	52.9 Å²	52.9	64%	0.638	28%	0.275	S	S	*	.	H	α-helix	trans	-59.1	-41.9	176.7	-59.8	0	0	0	0	111.8	S294 L295 K300	S294-T298 PolarHBondContact O-N 3.26Å; S294-T298 PolarHBondContact O-OG1 2.95Å; S294-T298 VanDerWaalsContact O-OG1 3.11Å; L295-T298 PolarHBondContact O-N 3.34Å; T298-K300 PolarHBondContact O-N 3.16Å
299	L	98.6	Very high	97.9	Very high	34 Å²	34	58 Å²	58	18%	0.178	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.3	176.2	-65.8	177.2	0	0	0	113.3	L245 Y246 E249 L295 Q297 V301	L245-L299 HydrophobicContact CB-CD1 3.97Å; Y246-L299 HydrophobicContact CD1-CD1 3.76Å; Y246-L299 HydrophobicContact CD1-CD2 4.01Å; Y246-L299 HydrophobicContact CE1-CD1 4.03Å; Y246-L299 HydrophobicContact CE1-CD2 4.03Å; E249-L299 HydrophobicContact CB-CB 4.17Å; E249-L299 HydrophobicContact CB-CD1 4.3Å; E249-L299 HydrophobicContact CB-CD2 4.43Å; E249-L299 HydrophobicContact CG-CB 4.04Å; E249-L299 HydrophobicContact CG-CD2 4.1Å; L295-L299 HydrophobicContact CD1-CD1 3.91Å; L295-L299 HydrophobicContact CD1-CD2 4.49Å; L295-L299 HydrophobicContact CD1-CG 3.93Å; L295-L299 HydrophobicContact CD2-CD1 4.49Å; L295-L299 HydrophobicContact CG-CD1 3.83Å; L295-L299 HydrophobicContact CG-CG 4.27Å; L295-L299 WeakPolarHBondContact O-CB 3.46Å; L295-L299 VanDerWaalsContact O-CG 3.28Å; L295-L299 WeakPolarHBondContact O-CG 3.4Å; L295-L299 PolarHBondContact O-N 3.15Å; Q297-L299 VanDerWaalsContact C-N 3.29Å; Q297-L299 PolarHBondContact O-N 3.29Å; L299-V301 HydrophobicContact CB-CG2 4Å; L299-V301 PolarHBondContact O-N 3.08Å
300	K	98.4	Very high	97.3	Very high	186 Å²	186	58.9 Å²	58.9	81%	0.809	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	32.1	-178.8	-54.6	178.2	-178.4	175.7	0	114.1	S296 Q297 T298	S296-K300 PolarHBondContact O-N 3.37Å; S296-K300 VanDerWaalsContact O-N 3.17Å; Q297-K300 WeakPolarHBondContact O-CA 3.46Å; Q297-K300 PolarHBondContact O-N 3.01Å; T298-K300 PolarHBondContact O-N 3.16Å
301	V	98.3	Very high	96.7	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	29%	0.294	C	S	.	.			trans	-112.3	9.8	177.1	-61.7	0	0	0	0	112.8	L248 E249 I252 S296 L299 E303 N304 V305	L248-V301 HydrophobicContact CD2-CB 4.15Å; L248-V301 HydrophobicContact CD2-CG2 4.35Å; E249-V301 HydrophobicContact CB-CG1 3.88Å; E249-V301 HydrophobicContact CG-CG1 4.3Å; I252-V301 HydrophobicContact CD1-CG1 3.94Å; S296-V301 PolarHBondContact O-N 2.94Å; L299-V301 HydrophobicContact CB-CG2 4Å; L299-V301 PolarHBondContact O-N 3.08Å; V301-E303 PolarHBondContact O-N 3.39Å; V301-E303 VanDerWaalsContact O-N 3.14Å; V301-N304 PolarHBondContact O-N 3.37Å; V301-V305 HydrophobicContact CG2-CG2 4.19Å; V301-V305 WeakPolarHBondContact O-CG2 3.21Å; V301-V305 PolarHBondContact O-N 3.27Å
302	S	97.7	Very high	96.1	Very high	47 Å²	47	55 Å²	55	33%	0.329	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-55.7	-32.8	-177.1	54.4	0	0	0	0	113.6	S296 N304 V305	S296-S302 PolarHBondContact O-N 2.74Å; S302-N304 PolarHBondContact O-N 2.88Å; S302-V305 PolarHBondContact O-N 3.29Å
303	E	97.2	Very high	95.4	Very high	134 Å²	134	59 Å²	59	63%	0.626	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-74	-9.1	177.8	-64.8	-57	135.3	0	0	114.5	K224 V301	K224-E303 WeakPolarHBondContact CE-O 3.37Å; K224-E303 PolarHBondContact NZ-O 3.1Å; V301-E303 PolarHBondContact O-N 3.39Å; V301-E303 VanDerWaalsContact O-N 3.14Å
304	N	98.3	Very high	94.9	Very high	16 Å²	16	64.2 Å²	64.2	9%	0.086	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-112.9	10.4	178.3	-65.5	91.6	0	0	0	111.7	L248 I252 P267 V270 H271 L272 V301 S302	L248-N304 HydrophobicContact CD2-CB 4.04Å; I252-N304 HydrophobicContact CD1-CB 4.22Å; P267-N304 PolarHBondContact O-ND2 2.84Å; V270-N304 PolarHBondContact O-ND2 2.84Å; H271-N304 WeakPolarHBondContact CA-O 3.46Å; H271-N304 VanDerWaalsContact ND1-C 3.25Å; H271-N304 PolarHBondContact ND1-O 2.85Å; L272-N304 PolarHBondContact N-O 3.06Å; V301-N304 PolarHBondContact O-N 3.37Å; S302-N304 PolarHBondContact O-N 2.88Å
305	V	98.4	Very high	94.6	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.085	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.5	-176.4	-177	0	0	0	0	111.5	L245 L248 H271 L272 I274 V301 S302 F307	L245-V305 HydrophobicContact CD2-CG1 4.06Å; L245-V305 HydrophobicContact CD2-CG2 3.77Å; L248-V305 HydrophobicContact CD2-CG2 3.52Å; H271-V305 PolarHBondContact CE1-N 3.18Å; L272-V305 HydrophobicContact CB-CG2 4.35Å; L272-V305 CarbonylContact O-C 3.49Å; L272-V305 VanDerWaalsContact O-CA 3.26Å; L272-V305 WeakPolarHBondContact O-CA 3.49Å; I274-V305 HydrophobicContact CD1-CG1 4.41Å; I274-V305 HydrophobicContact CG1-CG1 4.5Å; V301-V305 HydrophobicContact CG2-CG2 4.19Å; V301-V305 WeakPolarHBondContact O-CG2 3.21Å; V301-V305 PolarHBondContact O-N 3.27Å; S302-V305 PolarHBondContact O-N 3.29Å; V305-F307 HydrophobicContact CB-CE2 4.32Å; V305-F307 HydrophobicContact CG1-CD2 3.89Å; V305-F307 HydrophobicContact CG1-CE1 4.3Å; V305-F307 HydrophobicContact CG1-CE2 3.49Å; V305-F307 VanDerWaalsContact CG1-CE2 3.49Å; V305-F307 HydrophobicContact CG1-CG 4.46Å; V305-F307 HydrophobicContact CG1-CZ 3.73Å
306	T	97.6	Very high	94.4	Very high	27 Å²	27	63.4 Å²	63.4	17%	0.166	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.7	165.1	-64.1	0	0	0	0	109.5	I220 H271 L272 I273 I274	I220-T306 WeakPolarHBondContact O-CB 3.49Å; I220-T306 PolarHBondContact O-OG1 3Å; H271-T306 PolarHBondContact NE2-N 2.89Å; H271-T306 PolarHBondContact NE2-OG1 3.16Å; L272-T306 PolarHBondContact O-N 3.25Å; I273-T306 CarbonylContact C-O 3.5Å; I273-T306 WeakPolarHBondContact CA-O 3.48Å; I274-T306 PolarHBondContact N-O 3.38Å
307	F	97.1	Very high	94.2	Very high	35 Å²	35	63.4 Å²	63.4	15%	0.154	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.4	170	-69.2	-84	0	0	0	110.9	L245 I274 Y289 L292 V293 V305	L245-F307 HydrophobicContact CD1-CZ 4.22Å; L245-F307 HydrophobicContact CD2-CZ 4.21Å; I274-F307 HydrophobicContact CB-CD1 3.91Å; I274-F307 HydrophobicContact CB-CE1 4.07Å; I274-F307 HydrophobicContact CD1-CD1 4.45Å; I274-F307 HydrophobicContact CD1-CE1 3.74Å; I274-F307 HydrophobicContact CD1-CZ 4.28Å; I274-F307 HydrophobicContact CG1-CE1 4.38Å; I274-F307 HydrophobicContact CG2-CD1 4.16Å; I274-F307 HydrophobicContact CG2-CE1 4.28Å; I274-F307 WeakPolarHBondContact O-CA 3.22Å; Y289-F307 HydrophobicContact CE2-CB 3.83Å; Y289-F307 HydrophobicContact CE2-CG 4.48Å; L292-F307 HydrophobicContact CB-CE1 3.69Å; L292-F307 HydrophobicContact CB-CZ 4.09Å; L292-F307 WeakPolarHBondContact O-CZ 3.39Å; V293-F307 HydrophobicContact CB-CE2 4.46Å; V293-F307 HydrophobicContact CG2-CD1 4.41Å; V293-F307 HydrophobicContact CG2-CD2 3.76Å; V293-F307 HydrophobicContact CG2-CE2 3.94Å; V293-F307 HydrophobicContact CG2-CG 4Å; V293-F307 HydrophobicContact CG2-CZ 4.35Å; V305-F307 HydrophobicContact CB-CE2 4.32Å; V305-F307 HydrophobicContact CG1-CD2 3.89Å; V305-F307 HydrophobicContact CG1-CE1 4.3Å; V305-F307 HydrophobicContact CG1-CE2 3.49Å; V305-F307 VanDerWaalsContact CG1-CE2 3.49Å; V305-F307 HydrophobicContact CG1-CG 4.46Å; V305-F307 HydrophobicContact CG1-CZ 3.73Å
308	M	95.3	Very high	94.1	Very high	30 Å²	30	58.1 Å²	58.1	15%	0.148	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.9	179	-161.6	177.6	71.4	0	0	112.2	I220 Y235 I274 A275 G276 C311 I315 L319	I220-M308 HydrophobicContact CD1-SD 4.02Å; Y235-M308 PolarHBondContact OH-N 3.21Å; Y235-M308 PolarHBondContact OH-O 3.44Å; I274-M308 PolarHBondContact O-N 3.28Å; A275-M308 WeakPolarHBondContact CA-O 3.35Å; A275-M308 HydrophobicContact CB-CB 4.22Å; A275-M308 HydrophobicContact CB-CE 3.84Å; G276-M308 PolarHBondContact N-O 3.49Å; M308-C311 HydrophobicContact CE-CB 3.34Å; M308-C311 WeakPolarHBondContact CE-SG 3.42Å; M308-I315 HydrophobicContact CE-CG2 3.89Å; M308-I315 HydrophobicContact SD-CG2 4.14Å; M308-L319 HydrophobicContact CE-CD1 3.34Å; M308-L319 HydrophobicContact SD-CD1 4.29Å
309	R	94.1	Very high	93.9	Very high	119 Å²	119	53.2 Å²	53.2	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124	175	-64.1	178.4	-65.9	179.7	-2.8	110	Y278 Y289	Y278-R309 HydrophobicContact CD1-CB 4.14Å; Y278-R309 HydrophobicContact CD1-CG 4.26Å; Y278-R309 HydrophobicContact CD2-CB 4.46Å; Y278-R309 HydrophobicContact CD2-CG 3.93Å; Y278-R309 HydrophobicContact CE2-CG 4.29Å; Y278-R309 HydrophobicContact CG-CB 3.93Å; Y278-R309 HydrophobicContact CG-CG 3.91Å; Y289-R309 HydrophobicContact CD2-CG 3.65Å; Y289-R309 HydrophobicContact CE2-CG 3.33Å; Y289-R309 HydrophobicContact CG-CG 4.42Å
310	S	85.4	Confident	93.8	Very high	64 Å²	64	51.6 Å²	51.6	45%	0.448	27%	0.268	S	S	.	.	S	Bend	trans	51.4	86.7	176.6	-65.7	0	0	0	0	113.2	G276 Y278	G276-S310 VanDerWaalsContact O-CA 3.26Å; G276-S310 WeakPolarHBondContact O-CA 3.28Å; G276-S310 PolarHBondContact O-N 3.19Å; Y278-S310 PolarHBondContact N-OG 3.09Å; Y278-S310 PolarHBondContact O-OG 3.42Å
311	C	85.4	Confident	93.7	Very high	33 Å²	33	42.7 Å²	42.7	22%	0.223	23%	0.229	C	C	.	.			trans	-66.9	129.1	170.8	-168.9	0	0	0	0	110.9	M308 I315 K316	M308-C311 HydrophobicContact CE-CB 3.34Å; M308-C311 WeakPolarHBondContact CE-SG 3.42Å; C311-I315 VanDerWaalsContact SG-C 3.57Å; C311-K316 WeakPolarHBondContact SG-CA 3.34Å; C311-K316 VanDerWaalsContact SG-CB 3.6Å; C311-K316 PolarHBondContact SG-N 3.3Å
312	S	86.7	Confident	93.5	Very high	53 Å²	53	42.6 Å²	42.6	37%	0.371	23%	0.228	S	C	.	.			trans	-67.6	160.3	171	72.5	0	0	0	0	110.9	E314 I315 K316	S312-E314 PolarHBondContact O-N 3.48Å; S312-I315 PolarHBondContact O-N 3.34Å; S312-I315 VanDerWaalsContact OG-CG1 3.32Å; S312-I315 WeakPolarHBondContact OG-CG1 3.37Å; S312-I315 PolarHBondContact OG-N 3.36Å; S312-K316 PolarHBondContact O-N 3.44Å
313	S	83.6	Confident	93.5	Very high	87 Å²	87	40.3 Å²	40.3	61%	0.608	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.3	174.3	45.6	0	0	0	0	113.2	P317	S313-P317 WeakPolarHBondContact O-CD 3.43Å
314	E	87.9	Confident	93.4	Very high	150 Å²	150	34 Å²	34	70%	0.701	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-38	178.1	-63.6	169.9	-175.7	0	0	112.3	S312 P317	S312-E314 PolarHBondContact O-N 3.48Å; E314-P317 WeakPolarHBondContact O-CD 3.42Å; E314-P317 WeakPolarHBondContact O-CG 3.48Å
315	I	92.4	Very high	93.4	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.128	18%	0.179	C	C	.	.	H	α-helix	trans	-80	-32	-177	-64	-58.2	0	0	0	111.9	L216 P217 I220 M308 C311 S312 L318 L319	L216-I315 HydrophobicContact CD2-CD1 4.39Å; L216-I315 HydrophobicContact CD2-CG2 3.96Å; P217-I315 VanDerWaalsContact CD-CD1 3.42Å; P217-I315 HydrophobicContact CG-CD1 3.95Å; I220-I315 HydrophobicContact CD1-CG2 4.47Å; M308-I315 HydrophobicContact CE-CG2 3.89Å; M308-I315 HydrophobicContact SD-CG2 4.14Å; C311-I315 VanDerWaalsContact SG-C 3.57Å; S312-I315 PolarHBondContact O-N 3.34Å; S312-I315 VanDerWaalsContact OG-CG1 3.32Å; S312-I315 WeakPolarHBondContact OG-CG1 3.37Å; S312-I315 PolarHBondContact OG-N 3.36Å; I315-L318 HydrophobicContact CD1-CD1 4.34Å; I315-L318 WeakPolarHBondContact O-CB 3.1Å; I315-L318 PolarHBondContact O-N 2.8Å; I315-L319 HydrophobicContact CG2-CD1 4.03Å; I315-L319 HydrophobicContact CG2-CG 3.91Å; I315-L319 PolarHBondContact O-N 2.86Å
316	K	94.3	Very high	93.4	Very high	47 Å²	47	32.6 Å²	32.6	20%	0.204	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-52.6	-177.4	-176	-174.1	173.7	-171.3	0	112.8	I232 C311 S312 L318 L319 I320 E341	I232-K316 HydrophobicContact CD1-CG 3.96Å; C311-K316 WeakPolarHBondContact SG-CA 3.34Å; C311-K316 VanDerWaalsContact SG-CB 3.6Å; C311-K316 PolarHBondContact SG-N 3.3Å; S312-K316 PolarHBondContact O-N 3.44Å; K316-L318 VanDerWaalsContact C-N 3.3Å; K316-L318 PolarHBondContact O-N 3.36Å; K316-L319 PolarHBondContact O-N 3.49Å; K316-I320 HydrophobicContact CG-CD1 4.24Å; K316-I320 WeakPolarHBondContact O-CG1 3.29Å; K316-I320 PolarHBondContact O-N 2.82Å; K316-I320 VanDerWaalsContact O-N 3.17Å; K316-E341 WeakPolarHBondContact CE-OE2 3.42Å; K316-E341 IonicContact NZ-OE1 2.92Å; K316-E341 PolarHBondContact NZ-OE1 3.39Å; K316-E341 IonicContact NZ-OE2 3.83Å; K316-E341 PolarHBondContact NZ-OE2 3.33Å
317	P	94.8	Very high	93.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-36.8	178.2	24.8	-33.9	0	0	0	112.2	L194 L196 S313 E314 L319 I320 A321 L345	L194-P317 HydrophobicContact CD2-CB 4.45Å; L196-P317 HydrophobicContact CD2-CB 3.94Å; S313-P317 WeakPolarHBondContact O-CD 3.43Å; E314-P317 WeakPolarHBondContact O-CD 3.42Å; E314-P317 WeakPolarHBondContact O-CG 3.48Å; P317-L319 PolarHBondContact O-N 2.92Å; P317-I320 PolarHBondContact O-N 3.34Å; P317-A321 WeakPolarHBondContact O-CB 3.48Å; P317-A321 PolarHBondContact O-N 3.42Å; P317-L345 HydrophobicContact CB-CD1 3.89Å
318	L	95	Very high	93.5	Very high	10 Å²	10	30 Å²	30	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-42.5	176.6	-72.4	171.2	0	0	0	112.5	L196 P197 Y212 Y215 L216 I315 K316 A321 S322	L196-L318 HydrophobicContact CD2-CD2 4.12Å; P197-L318 HydrophobicContact CG-CD2 4Å; Y212-L318 HydrophobicContact CD1-CD2 4.44Å; Y215-L318 HydrophobicContact CD2-CD2 4.27Å; Y215-L318 HydrophobicContact CG-CD2 4.43Å; L216-L318 HydrophobicContact CD2-CB 3.66Å; L216-L318 HydrophobicContact CD2-CD1 4.49Å; L216-L318 HydrophobicContact CG-CB 4.22Å; I315-L318 HydrophobicContact CD1-CD1 4.34Å; I315-L318 WeakPolarHBondContact O-CB 3.1Å; I315-L318 PolarHBondContact O-N 2.8Å; K316-L318 VanDerWaalsContact C-N 3.3Å; K316-L318 PolarHBondContact O-N 3.36Å; L318-A321 PolarHBondContact O-N 3.45Å; L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.49Å; L318-S322 PolarHBondContact O-OG 2.83Å
319	L	95.8	Very high	93.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-50.2	175.9	-76.9	-178.9	0	0	0	111.6	L216 I220 V230 I273 A275 M308 I315 K316 P317 S322 S323	L216-L319 HydrophobicContact CD1-CD2 4.06Å; L216-L319 HydrophobicContact CD2-CD2 3.88Å; L216-L319 HydrophobicContact CD2-CG 4.13Å; I220-L319 HydrophobicContact CG2-CD2 3.71Å; V230-L319 HydrophobicContact CG1-CB 4.5Å; I273-L319 HydrophobicContact CD1-CD2 3.8Å; I273-L319 HydrophobicContact CG2-CD1 4.39Å; I273-L319 HydrophobicContact CG2-CD2 4.22Å; A275-L319 HydrophobicContact CB-CD1 3.93Å; M308-L319 HydrophobicContact CE-CD1 3.34Å; M308-L319 HydrophobicContact SD-CD1 4.29Å; I315-L319 HydrophobicContact CG2-CD1 4.03Å; I315-L319 HydrophobicContact CG2-CG 3.91Å; I315-L319 PolarHBondContact O-N 2.86Å; K316-L319 PolarHBondContact O-N 3.49Å; P317-L319 PolarHBondContact O-N 2.92Å; L319-S322 PolarHBondContact O-N 2.94Å; L319-S323 PolarHBondContact O-N 3.14Å
320	I	96.3	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-53.6	178.3	-65.8	170.7	0	0	0	109.3	I232 K316 P317 S322 S323 V326 E341 A342 L345 R347	I232-I320 HydrophobicContact CD1-CD1 3.89Å; I232-I320 HydrophobicContact CD1-CG1 3.53Å; K316-I320 HydrophobicContact CG-CD1 4.24Å; K316-I320 WeakPolarHBondContact O-CG1 3.29Å; K316-I320 PolarHBondContact O-N 2.82Å; K316-I320 VanDerWaalsContact O-N 3.17Å; P317-I320 PolarHBondContact O-N 3.34Å; I320-S322 PolarHBondContact O-N 2.84Å; I320-S323 WeakPolarHBondContact O-CB 3.45Å; I320-S323 PolarHBondContact O-N 3.14Å; I320-S323 PolarHBondContact O-OG 3.33Å; I320-V326 HydrophobicContact CG1-CG2 4.41Å; I320-V326 HydrophobicContact CG2-CG2 4.05Å; I320-E341 HydrophobicContact CD1-CB 4.31Å; I320-A342 HydrophobicContact CG2-CB 4.22Å; I320-L345 HydrophobicContact CB-CD1 3.68Å; I320-L345 HydrophobicContact CD1-CD1 4.15Å; I320-L345 HydrophobicContact CG2-CB 3.89Å; I320-L345 HydrophobicContact CG2-CD1 3.58Å; I320-L345 HydrophobicContact CG2-CG 4.33Å; I320-R347 HydrophobicContact CG2-CB 4.28Å; I320-R347 HydrophobicContact CG2-CG 4.15Å; I320-R347 VanDerWaalsContact O-CG 3.3Å; I320-R347 WeakPolarHBondContact O-CG 3.33Å
321	A	95.5	Very high	94.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-23.4	-176.3	0	0	0	0	0	113.7	L196 Y212 P317 L318 R347	L196-A321 HydrophobicContact CD1-CB 3.71Å; L196-A321 HydrophobicContact CD2-CB 3.59Å; L196-A321 HydrophobicContact CG-CB 4.3Å; Y212-A321 HydrophobicContact CD2-CB 3.65Å; Y212-A321 WeakPolarHBondContact CD2-O 3.44Å; Y212-A321 HydrophobicContact CE2-CB 3.99Å; Y212-A321 HydrophobicContact CG-CB 4.01Å; P317-A321 WeakPolarHBondContact O-CB 3.48Å; P317-A321 PolarHBondContact O-N 3.42Å; L318-A321 PolarHBondContact O-N 3.45Å; A321-R347 PolarHBondContact O-NE 3.02Å; A321-R347 PolarHBondContact O-NH2 3.31Å
322	S	94.7	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.5	175.7	-59.8	0	0	0	0	114.3	Y212 R213 L318 L319 I320	Y212-S322 VanDerWaalsContact CB-OG 3.32Å; Y212-S322 WeakPolarHBondContact CB-OG 3.43Å; R213-S322 PolarHBondContact N-OG 2.92Å; L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.49Å; L318-S322 PolarHBondContact O-OG 2.83Å; L319-S322 PolarHBondContact O-N 2.94Å; I320-S322 PolarHBondContact O-N 2.84Å
323	S	96.7	Very high	94.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.			trans	-84	163.9	-175.4	73.3	0	0	0	0	113.5	L319 I320 R347	L319-S323 PolarHBondContact O-N 3.14Å; I320-S323 WeakPolarHBondContact O-CB 3.45Å; I320-S323 PolarHBondContact O-N 3.14Å; I320-S323 PolarHBondContact O-OG 3.33Å; S323-R347 WeakPolarHBondContact O-CD 3.38Å; S323-R347 PolarHBondContact O-NE 2.89Å
324	D	96.9	Very high	94.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.117	C	C	.	.	S	Bend	trans	-87.6	-39.7	167.2	-68.6	-85.3	0	0	0	110.8	K209 I227 I228 F389 A396	K209-D324 VanDerWaalsContact CE-OD1 3.3Å; K209-D324 WeakPolarHBondContact CE-OD1 3.44Å; K209-D324 IonicContact NZ-OD1 3.44Å; K209-D324 PolarHBondContact NZ-OD1 3.31Å; I227-D324 WeakPolarHBondContact CA-OD2 3.27Å; I227-D324 HydrophobicContact CG2-CB 4.29Å; I228-D324 PolarHBondContact N-OD2 2.86Å; I228-D324 PolarHBondContact O-N 3.06Å; D324-F389 HydrophobicContact CB-CD1 4.48Å; D324-A396 HydrophobicContact CB-CB 4.26Å; D324-A396 WeakPolarHBondContact O-CB 3.08Å
325	A	98.1	Very high	94.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.1	171.7	0	0	0	0	0	112.4	F229 V230 A348 I350 F389	F229-A325 WeakPolarHBondContact CA-O 3.34Å; F229-A325 HydrophobicContact CD1-CB 3.99Å; F229-A325 HydrophobicContact CE1-CB 4.11Å; V230-A325 PolarHBondContact N-O 3.22Å; V230-A325 VanDerWaalsContact N-O 3.14Å; A325-A348 CarbonylContact C-O 3.6Å; A325-A348 VanDerWaalsContact CA-O 3.31Å; A325-A348 WeakPolarHBondContact CA-O 3.35Å; A325-A348 HydrophobicContact CB-CB 4.17Å; A325-I350 HydrophobicContact CB-CD1 4.11Å; A325-I350 HydrophobicContact CB-CG1 4.2Å; A325-F389 HydrophobicContact CB-CD1 4.27Å; A325-F389 HydrophobicContact CB-CD2 4.4Å; A325-F389 HydrophobicContact CB-CE1 3.83Å; A325-F389 HydrophobicContact CB-CE2 4.01Å; A325-F389 HydrophobicContact CB-CZ 3.69Å
326	V	98.6	Very high	94.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.7	170.2	175.2	0	0	0	0	110.1	V230 I320 V338 A342 A348 V349 I350	V230-V326 CarbonylContact O-C 3.6Å; V230-V326 VanDerWaalsContact O-CA 3.27Å; V230-V326 WeakPolarHBondContact O-CA 3.37Å; I320-V326 HydrophobicContact CG1-CG2 4.41Å; I320-V326 HydrophobicContact CG2-CG2 4.05Å; V326-V338 HydrophobicContact CG1-CG1 3.94Å; V326-A342 HydrophobicContact CB-CB 3.88Å; V326-A342 HydrophobicContact CG1-CB 4.39Å; V326-A342 HydrophobicContact CG2-CB 3.64Å; V326-A348 PolarHBondContact N-O 2.91Å; V326-V349 WeakPolarHBondContact O-CA 3.43Å; V326-I350 PolarHBondContact O-N 3.35Å
327	M	98.5	Very high	94.2	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	109.3	174.5	-62.5	176.3	74.3	0	0	110.4	F229 V230 S231 A244 L272 I350 M382 L386	F229-M327 HydrophobicContact CB-CG 4.21Å; F229-M327 HydrophobicContact CB-SD 3.78Å; F229-M327 HydrophobicContact CG-SD 4.32Å; V230-M327 PolarHBondContact O-N 3.06Å; S231-M327 WeakPolarHBondContact CB-O 3.41Å; S231-M327 PolarHBondContact OG-O 3.23Å; A244-M327 HydrophobicContact CB-CE 3.69Å; A244-M327 HydrophobicContact CB-SD 4.24Å; L272-M327 HydrophobicContact CD1-SD 3.68Å; M327-I350 CarbonylContact C-O 3.47Å; M327-I350 WeakPolarHBondContact CA-O 3.09Å; M327-M382 HydrophobicContact CE-CG 3.93Å; M327-M382 HydrophobicContact CE-SD 3.37Å; M327-M382 WeakPolarHBondContact CE-SD 3.43Å; M327-L386 HydrophobicContact CE-CD1 3.94Å; M327-L386 HydrophobicContact CE-CD2 4.08Å; M327-L386 HydrophobicContact CE-CG 4.48Å; M327-L386 HydrophobicContact CG-CD2 4.1Å; M327-L386 HydrophobicContact SD-CD1 4.37Å; M327-L386 HydrophobicContact SD-CD2 3.83Å
328	Y	98	Very high	94.2	Very high	6 Å²	6	18.5 Å²	18.5	2%	0.024	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	90.7	178.8	-164.2	-103.3	0	0	0	111.4	P330 E333 G336 V338 P339 I350 A351 L352 P357	Y328-P330 HydrophobicContact CD1-CG 4.47Å; Y328-P330 HydrophobicContact CD2-CG 4.42Å; Y328-P330 HydrophobicContact CE1-CB 4.03Å; Y328-P330 HydrophobicContact CE1-CG 3.95Å; Y328-P330 HydrophobicContact CE2-CG 3.9Å; Y328-E333 HydrophobicContact CE1-CB 4.29Å; Y328-E333 VanDerWaalsContact OH-CG 3.24Å; Y328-E333 WeakPolarHBondContact OH-CG 3.26Å; Y328-E333 PolarHBondContact OH-OE2 3.46Å; Y328-G336 WeakPolarHBondContact OH-CA 3.5Å; Y328-V338 HydrophobicContact CD2-CB 3.9Å; Y328-V338 HydrophobicContact CD2-CG1 4.06Å; Y328-V338 HydrophobicContact CE2-CB 3.78Å; Y328-V338 HydrophobicContact CE2-CG1 4.4Å; Y328-V338 HydrophobicContact CE2-CG2 4.27Å; Y328-P339 HydrophobicContact CD1-CG 3.83Å; Y328-P339 HydrophobicContact CD2-CG 4.07Å; Y328-P339 HydrophobicContact CE1-CG 4.25Å; Y328-P339 HydrophobicContact CE2-CG 4.46Å; Y328-P339 HydrophobicContact CG-CG 3.72Å; Y328-I350 PolarHBondContact N-O 3.14Å; Y328-A351 HydrophobicContact CD1-CB 4.35Å; Y328-A351 WeakPolarHBondContact O-CA 3.21Å; Y328-L352 PolarHBondContact O-N 3.47Å; Y328-P357 HydrophobicContact CD1-CG 3.7Å; Y328-P357 HydrophobicContact CE1-CG 3.73Å
329	T	97.4	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.			trans	-84.4	-11.9	-175.2	56.3	0	0	0	0	118	K239 N240 L243 A244 D331 L352 M382	K239-T329 CarbonylContact O-C 3.53Å; K239-T329 PolarHBondContact O-OG1 2.67Å; N240-T329 VanDerWaalsContact O-CB 3.3Å; N240-T329 WeakPolarHBondContact O-CB 2.82Å; N240-T329 PolarHBondContact O-OG1 3.48Å; L243-T329 HydrophobicContact CB-CG2 4.11Å; L243-T329 HydrophobicContact CD2-CG2 4.17Å; L243-T329 HydrophobicContact CG-CG2 4.3Å; A244-T329 HydrophobicContact CB-CG2 4.16Å; T329-D331 PolarHBondContact O-N 3.44Å; T329-L352 WeakPolarHBondContact O-CD1 3.41Å; T329-M382 HydrophobicContact CG2-CE 4.3Å; T329-M382 HydrophobicContact CG2-SD 4.33Å
330	P	95.4	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.			trans	-60.4	132	178.4	-27.9	36.8	0	0	0	113.4	N233 K239 Y328 E333	N233-P330 VanDerWaalsContact OD1-CG 3.27Å; N233-P330 WeakPolarHBondContact OD1-CG 3.32Å; K239-P330 HydrophobicContact CB-CG 4.3Å; K239-P330 HydrophobicContact CD-CB 4.1Å; K239-P330 HydrophobicContact CD-CG 3.7Å; Y328-P330 HydrophobicContact CD1-CG 4.47Å; Y328-P330 HydrophobicContact CD2-CG 4.42Å; Y328-P330 HydrophobicContact CE1-CB 4.03Å; Y328-P330 HydrophobicContact CE1-CG 3.95Å; Y328-P330 HydrophobicContact CE2-CG 3.9Å; P330-E333 HydrophobicContact CB-CB 4.31Å
331	D	93.5	Very high	94.3	Very high	62 Å²	62	18.5 Å²	18.5	33%	0.332	9%	0.09	S	C	.	.	S	Bend	trans	-91.1	144	172	-176.3	33.9	0	0	0	110.5	T329 E333 L352 S354	T329-D331 PolarHBondContact O-N 3.44Å; D331-E333 PolarHBondContact O-N 3.19Å; D331-E333 VanDerWaalsContact O-N 3.16Å; D331-L352 HydrophobicContact CB-CD1 3.92Å; D331-S354 WeakPolarHBondContact OD1-CB 3.07Å; D331-S354 PolarHBondContact OD1-OG 3.48Å
332	K	90.8	Very high	94.3	Very high	133 Å²	133	18.5 Å²	18.5	58%	0.578	9%	0.09	S	C	*	.	S	Bend	trans	52.5	35.3	177.3	-63.2	176.7	-171.7	-177.1	0	113.6	F165 S354	F165-K332 HydrophobicContact CE2-CB 4.36Å; F165-K332 HydrophobicContact CE2-CG 4.43Å; F165-K332 HydrophobicContact CZ-CB 3.82Å; F165-K332 HydrophobicContact CZ-CG 4.31Å; K332-S354 PolarHBondContact N-OG 3.3Å; K332-S354 VanDerWaalsContact N-OG 3.09Å
333	E	89	Confident	94.4	Very high	40 Å²	40	18.5 Å²	18.5	19%	0.187	9%	0.09	C	C	.	.			trans	-69	139.6	174.6	-168.7	73.7	-131.9	0	0	110.5	K239 Y328 P330 D331 F335 G355 G356	K239-E333 IonicContact NZ-OE1 2.77Å; K239-E333 PolarHBondContact NZ-OE1 3.04Å; K239-E333 IonicContact NZ-OE2 2.75Å; K239-E333 PolarHBondContact NZ-OE2 2.96Å; Y328-E333 HydrophobicContact CE1-CB 4.29Å; Y328-E333 VanDerWaalsContact OH-CG 3.24Å; Y328-E333 WeakPolarHBondContact OH-CG 3.26Å; Y328-E333 PolarHBondContact OH-OE2 3.46Å; P330-E333 HydrophobicContact CB-CB 4.31Å; D331-E333 PolarHBondContact O-N 3.19Å; D331-E333 VanDerWaalsContact O-N 3.16Å; E333-F335 PolarHBondContact O-N 2.9Å; E333-G355 CarbonylContact O-C 3.56Å; E333-G355 WeakPolarHBondContact O-CA 3.34Å; E333-G356 PolarHBondContact O-N 3.01Å
334	H	87.6	Confident	94.3	Very high	49 Å²	49	20 Å²	20	23%	0.227	10%	0.097	C	C	.	.	S	Bend	trans	-60.5	-45	-175.5	-48.5	164.5	0	0	0	112.2	F124 S163	F124-H334 WeakPolarHBondContact CB-CE1 3.42Å; F124-H334 AromaticContact CD1-CE1 3.69Å; F124-H334 AromaticContact CD1-NE2 3.69Å; F124-H334 AromaticContact CD2-CD2 3.34Å; F124-H334 WeakPolarHBondContact CD2-CD2 3.2Å; F124-H334 AromaticContact CD2-CE1 3.48Å; F124-H334 VanDerWaalsContact CD2-CE1 3.48Å; F124-H334 WeakPolarHBondContact CD2-CE1 3.26Å; F124-H334 AromaticContact CD2-CG 3.65Å; F124-H334 AromaticContact CD2-ND1 3.72Å; F124-H334 AromaticContact CD2-NE2 3.28Å; F124-H334 VanDerWaalsContact CD2-NE2 3.28Å; F124-H334 WeakPolarHBondContact CD2-NE2 3.4Å; F124-H334 AromaticContact CE1-NE2 3.79Å; F124-H334 AromaticContact CE2-CD2 3.46Å; F124-H334 VanDerWaalsContact CE2-CD2 3.46Å; F124-H334 WeakPolarHBondContact CE2-CD2 3.18Å; F124-H334 AromaticContact CE2-NE2 3.44Å; F124-H334 WeakPolarHBondContact CE2-NE2 3.45Å; F124-H334 AromaticContact CG-CD2 3.95Å; F124-H334 AromaticContact CG-CE1 3.23Å; F124-H334 WeakPolarHBondContact CG-CE1 3.45Å; F124-H334 AromaticContact CG-ND1 3.73Å; F124-H334 AromaticContact CG-NE2 3.41Å; F124-H334 WeakPolarHBondContact CG-NE2 3.46Å; F124-H334 AromaticContact CZ-NE2 3.69Å; S163-H334 VanDerWaalsContact CB-O 3.25Å; S163-H334 WeakPolarHBondContact CB-O 3.47Å; S163-H334 PolarHBondContact OG-O 3.31Å
335	F	87.5	Confident	94.3	Very high	10 Å²	10	20.8 Å²	20.8	4%	0.044	10%	0.101	C	C	.	.	S	Bend	trans	-136.3	-56.1	177.6	-175.2	-118.5	0	0	0	112	N162 Y186 P187 E333 I337 I340 G356 T360 F411	N162-F335 WeakPolarHBondContact O-CD2 3.42Å; Y186-F335 HydrophobicContact CD1-CD2 4.3Å; Y186-F335 AromaticContact CD1-CE2 3.66Å; Y186-F335 HydrophobicContact CD1-CE2 3.66Å; Y186-F335 HydrophobicContact CD1-CZ 4.48Å; Y186-F335 HydrophobicContact CG-CE2 4.31Å; P187-F335 HydrophobicContact CB-CD1 3.98Å; P187-F335 HydrophobicContact CB-CE1 3.99Å; P187-F335 HydrophobicContact CG-CB 4.49Å; P187-F335 HydrophobicContact CG-CD1 3.76Å; P187-F335 HydrophobicContact CG-CE1 4.11Å; P187-F335 HydrophobicContact CG-CG 4.07Å; P187-F335 WeakPolarHBondContact O-CE1 3.41Å; E333-F335 PolarHBondContact O-N 2.9Å; F335-I337 HydrophobicContact CD1-CD1 4.25Å; F335-I337 HydrophobicContact CE1-CD1 3.92Å; F335-I340 HydrophobicContact CE1-CG1 3.97Å; F335-I340 HydrophobicContact CZ-CD1 4.39Å; F335-I340 HydrophobicContact CZ-CG1 4.05Å; F335-G356 CarbonylContact O-C 3.53Å; F335-G356 VanDerWaalsContact O-CA 3.28Å; F335-G356 WeakPolarHBondContact O-CA 3.34Å; F335-T360 HydrophobicContact CD2-CG2 4.3Å; F335-T360 HydrophobicContact CE2-CG2 3.71Å; F335-T360 HydrophobicContact CZ-CG2 3.94Å; F335-F411 HydrophobicContact CE2-CD1 4.32Å; F335-F411 HydrophobicContact CE2-CE1 4.08Å; F335-F411 AromaticContact CZ-CD1 3.89Å; F335-F411 HydrophobicContact CZ-CD1 3.89Å; F335-F411 HydrophobicContact CZ-CE1 4.09Å
336	G	86.4	Confident	94.1	Very high	5 Å²	5	21.7 Å²	21.7	5%	0.052	11%	0.108	C	C	.	.			trans	82.5	83.8	-176.4	0	0	0	0	0	112	Y328 V338 P339	Y328-G336 WeakPolarHBondContact OH-CA 3.5Å; G336-V338 VanDerWaalsContact C-N 3.29Å; G336-V338 PolarHBondContact O-N 3.28Å; G336-P339 VanDerWaalsContact O-CD 3.22Å; G336-P339 WeakPolarHBondContact O-CD 3.27Å
337	I	91.7	Very high	94.1	Very high	57 Å²	57	22.1 Å²	22.1	29%	0.292	11%	0.11	S	C	.	.	H	α-helix	trans	-69.8	-27.4	-179.4	-158.3	63	0	0	0	112.8	A189 F335 I340 E341	A189-I337 HydrophobicContact CB-CD1 3.98Å; A189-I337 HydrophobicContact CB-CG1 4.11Å; F335-I337 HydrophobicContact CD1-CD1 4.25Å; F335-I337 HydrophobicContact CE1-CD1 3.92Å; I337-I340 HydrophobicContact CD1-CB 4.39Å; I337-I340 WeakPolarHBondContact O-CA 3.22Å; I337-I340 WeakPolarHBondContact O-CB 3.38Å; I337-I340 PolarHBondContact O-N 2.85Å; I337-E341 HydrophobicContact CG1-CG 4.47Å; I337-E341 WeakPolarHBondContact O-CG 3.5Å; I337-E341 PolarHBondContact O-N 2.84Å
338	V	94.6	Very high	94	Very high	13 Å²	13	22.1 Å²	22.1	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-43.9	-178.2	173.8	0	0	0	0	112.4	I232 V326 Y328 G336 I340 E341 A342	I232-V338 HydrophobicContact CB-CG1 4.31Å; V326-V338 HydrophobicContact CG1-CG1 3.94Å; Y328-V338 HydrophobicContact CD2-CB 3.9Å; Y328-V338 HydrophobicContact CD2-CG1 4.06Å; Y328-V338 HydrophobicContact CE2-CB 3.78Å; Y328-V338 HydrophobicContact CE2-CG1 4.4Å; Y328-V338 HydrophobicContact CE2-CG2 4.27Å; G336-V338 VanDerWaalsContact C-N 3.29Å; G336-V338 PolarHBondContact O-N 3.28Å; V338-I340 VanDerWaalsContact C-N 3.27Å; V338-I340 PolarHBondContact O-N 2.96Å; V338-E341 WeakPolarHBondContact CA-OE2 3.26Å; V338-E341 PolarHBondContact O-N 3.28Å; V338-A342 WeakPolarHBondContact O-CB 3.44Å; V338-A342 PolarHBondContact O-N 2.77Å
339	P	97	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-50.2	-42.8	167.2	-33.3	32.7	0	0	0	114.6	Y328 G336 A342 M343 V349 V361	Y328-P339 HydrophobicContact CD1-CG 3.83Å; Y328-P339 HydrophobicContact CD2-CG 4.07Å; Y328-P339 HydrophobicContact CE1-CG 4.25Å; Y328-P339 HydrophobicContact CE2-CG 4.46Å; Y328-P339 HydrophobicContact CG-CG 3.72Å; G336-P339 VanDerWaalsContact O-CD 3.22Å; G336-P339 WeakPolarHBondContact O-CD 3.27Å; P339-A342 PolarHBondContact O-N 3.32Å; P339-M343 VanDerWaalsContact O-CG 3.26Å; P339-M343 WeakPolarHBondContact O-CG 3.46Å; P339-M343 PolarHBondContact O-N 2.8Å; P339-V349 HydrophobicContact CB-CG1 4.13Å; P339-V349 HydrophobicContact CB-CG2 4.37Å; P339-V349 HydrophobicContact CG-CG1 4.28Å; P339-V361 HydrophobicContact CB-CG2 4.43Å
340	I	96.2	Very high	94.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.9	-42.9	178.5	-58.6	-59.7	0	0	0	111	A189 F335 I337 V338 A342 M343 L344 T360 V407 F411	A189-I340 HydrophobicContact CB-CG2 3.87Å; F335-I340 HydrophobicContact CE1-CG1 3.97Å; F335-I340 HydrophobicContact CZ-CD1 4.39Å; F335-I340 HydrophobicContact CZ-CG1 4.05Å; I337-I340 HydrophobicContact CD1-CB 4.39Å; I337-I340 WeakPolarHBondContact O-CA 3.22Å; I337-I340 WeakPolarHBondContact O-CB 3.38Å; I337-I340 PolarHBondContact O-N 2.85Å; V338-I340 VanDerWaalsContact C-N 3.27Å; V338-I340 PolarHBondContact O-N 2.96Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 3.43Å; I340-M343 PolarHBondContact O-N 2.93Å; I340-L344 HydrophobicContact CG2-CD1 4.22Å; I340-L344 WeakPolarHBondContact O-CB 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.39Å; I340-L344 PolarHBondContact O-N 3.28Å; I340-T360 HydrophobicContact CD1-CG2 3.71Å; I340-T360 HydrophobicContact CG1-CG2 4.18Å; I340-V407 HydrophobicContact CD1-CG2 4.17Å; I340-V407 HydrophobicContact CG2-CG1 4.01Å; I340-V407 HydrophobicContact CG2-CG2 4.02Å; I340-F411 HydrophobicContact CD1-CB 4.02Å; I340-F411 HydrophobicContact CD1-CD1 4.22Å; I340-F411 HydrophobicContact CD1-CD2 3.48Å; I340-F411 VanDerWaalsContact CD1-CD2 3.48Å; I340-F411 HydrophobicContact CD1-CE2 3.94Å; I340-F411 HydrophobicContact CD1-CG 3.64Å; I340-F411 HydrophobicContact CD1-CZ 4.49Å; I340-F411 HydrophobicContact CG2-CB 4.38Å
341	E	95.5	Very high	94.2	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-40.8	175.7	-64.5	172.3	143.7	0	0	111.8	A189 L194 K316 I320 I337 V338 L344 L345	A189-E341 HydrophobicContact CB-CG 3.99Å; L194-E341 HydrophobicContact CD1-CB 4.1Å; L194-E341 HydrophobicContact CD1-CG 4.08Å; L194-E341 HydrophobicContact CD2-CB 3.99Å; L194-E341 HydrophobicContact CD2-CG 4.12Å; K316-E341 WeakPolarHBondContact CE-OE2 3.42Å; K316-E341 IonicContact NZ-OE1 2.92Å; K316-E341 PolarHBondContact NZ-OE1 3.39Å; K316-E341 IonicContact NZ-OE2 3.83Å; K316-E341 PolarHBondContact NZ-OE2 3.33Å; I320-E341 HydrophobicContact CD1-CB 4.31Å; I337-E341 HydrophobicContact CG1-CG 4.47Å; I337-E341 WeakPolarHBondContact O-CG 3.5Å; I337-E341 PolarHBondContact O-N 2.84Å; V338-E341 WeakPolarHBondContact CA-OE2 3.26Å; V338-E341 PolarHBondContact O-N 3.28Å; E341-L344 PolarHBondContact O-N 2.87Å; E341-L345 WeakPolarHBondContact O-CG 3.37Å; E341-L345 PolarHBondContact O-N 2.84Å
342	A	96.8	Very high	94.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-49	175	0	0	0	0	0	112	I320 V326 V338 P339 I340 L344 L345 S346 R347 V349	I320-A342 HydrophobicContact CG2-CB 4.22Å; V326-A342 HydrophobicContact CB-CB 3.88Å; V326-A342 HydrophobicContact CG1-CB 4.39Å; V326-A342 HydrophobicContact CG2-CB 3.64Å; V338-A342 WeakPolarHBondContact O-CB 3.44Å; V338-A342 PolarHBondContact O-N 2.77Å; P339-A342 PolarHBondContact O-N 3.32Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 3.43Å; A342-L344 PolarHBondContact O-N 3.47Å; A342-L345 CarbonylContact O-C 3.52Å; A342-L345 PolarHBondContact O-N 3.01Å; A342-L345 VanDerWaalsContact O-N 3.14Å; A342-S346 PolarHBondContact O-N 3.38Å; A342-R347 CarbonylContact C-O 3.56Å; A342-R347 WeakPolarHBondContact O-CB 3.39Å; A342-R347 PolarHBondContact O-N 2.95Å; A342-V349 HydrophobicContact CB-CG2 3.66Å
343	M	96.4	Very high	94.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.3	-40.1	178.6	-73.1	177.2	-174.2	0	0	112.6	P339 I340 L345 S346 V349 V361 C404 V407	P339-M343 VanDerWaalsContact O-CG 3.26Å; P339-M343 WeakPolarHBondContact O-CG 3.46Å; P339-M343 PolarHBondContact O-N 2.8Å; I340-M343 PolarHBondContact O-N 2.93Å; M343-L345 PolarHBondContact O-N 3.03Å; M343-S346 WeakPolarHBondContact O-CA 3.4Å; M343-S346 PolarHBondContact O-N 3.03Å; M343-V349 HydrophobicContact CE-CB 4.27Å; M343-V349 HydrophobicContact CE-CG2 3.99Å; M343-V349 HydrophobicContact CG-CG2 4.13Å; M343-V361 HydrophobicContact CE-CB 4.14Å; M343-V361 HydrophobicContact CE-CG1 4.28Å; M343-V361 HydrophobicContact CE-CG2 3.73Å; M343-C404 VanDerWaalsContact O-CA 3.25Å; M343-C404 WeakPolarHBondContact O-CA 3.3Å; M343-C404 VanDerWaalsContact O-CB 3.31Å; M343-C404 WeakPolarHBondContact O-CB 3.32Å; M343-C404 PolarHBondContact O-N 2.94Å; M343-V407 HydrophobicContact CB-CG2 3.49Å; M343-V407 VanDerWaalsContact CB-CG2 3.49Å; M343-V407 HydrophobicContact CG-CG2 4.43Å; M343-V407 HydrophobicContact SD-CG2 4.14Å
344	L	95.3	Very high	94.9	Very high	30 Å²	30	14 Å²	14	16%	0.157	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-32.8	174.1	-80.2	171.5	0	0	0	113	A189 K191 L194 I340 E341 A342 S346 V407	A189-L344 HydrophobicContact CB-CD1 3.67Å; K191-L344 HydrophobicContact CG-CD1 4.42Å; L194-L344 HydrophobicContact CD1-CB 4.04Å; L194-L344 HydrophobicContact CD1-CD1 3.64Å; I340-L344 HydrophobicContact CG2-CD1 4.22Å; I340-L344 WeakPolarHBondContact O-CB 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.39Å; I340-L344 PolarHBondContact O-N 3.28Å; E341-L344 PolarHBondContact O-N 2.87Å; A342-L344 PolarHBondContact O-N 3.47Å; L344-S346 PolarHBondContact O-N 3.41Å; L344-V407 HydrophobicContact CD1-CG1 4.3Å; L344-V407 HydrophobicContact CD2-CB 4.17Å; L344-V407 HydrophobicContact CD2-CG1 3.39Å; L344-V407 HydrophobicContact CG-CB 4.38Å; L344-V407 HydrophobicContact CG-CG1 3.67Å
345	L	95.1	Very high	95.2	Very high	18 Å²	18	11.8 Å²	11.8	9%	0.094	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	15.1	175.8	-65.5	175.3	0	0	0	112.6	L194 L196 P317 I320 E341 A342 M343 R347	L194-L345 HydrophobicContact CB-CD2 4.25Å; L194-L345 HydrophobicContact CD2-CD1 4.04Å; L196-L345 HydrophobicContact CD1-CD2 3.78Å; L196-L345 HydrophobicContact CD2-CD2 4.39Å; L196-L345 HydrophobicContact CG-CD2 3.93Å; P317-L345 HydrophobicContact CB-CD1 3.89Å; I320-L345 HydrophobicContact CB-CD1 3.68Å; I320-L345 HydrophobicContact CD1-CD1 4.15Å; I320-L345 HydrophobicContact CG2-CB 3.89Å; I320-L345 HydrophobicContact CG2-CD1 3.58Å; I320-L345 HydrophobicContact CG2-CG 4.33Å; E341-L345 WeakPolarHBondContact O-CG 3.37Å; E341-L345 PolarHBondContact O-N 2.84Å; A342-L345 CarbonylContact O-C 3.52Å; A342-L345 PolarHBondContact O-N 3.01Å; A342-L345 VanDerWaalsContact O-N 3.14Å; M343-L345 PolarHBondContact O-N 3.03Å; L345-R347 WeakPolarHBondContact O-CG 3.43Å
346	S	95.8	Very high	95.5	Very high	20 Å²	20	11.3 Å²	11.3	14%	0.14	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	44.7	-178.8	-58.2	0	0	0	0	113	A342 M343 L344 G400	A342-S346 PolarHBondContact O-N 3.38Å; M343-S346 WeakPolarHBondContact O-CA 3.4Å; M343-S346 PolarHBondContact O-N 3.03Å; L344-S346 PolarHBondContact O-N 3.41Å; S346-G400 VanDerWaalsContact C-CA 3.41Å; S346-G400 WeakPolarHBondContact CA-O 3.31Å; S346-G400 WeakPolarHBondContact O-CA 3.48Å
347	R	96.5	Very high	95.9	Very high	9 Å²	9	11.1 Å²	11.1	3%	0.034	6%	0.061	C	C	.	.			trans	-122.2	138.6	-179.6	-61.2	-73.6	163.9	-131.9	-7.4	111.4	K209 I320 A321 S323 A342 L345 D397	K209-R347 VanDerWaalsContact CB-NH2 3.33Å; I320-R347 HydrophobicContact CG2-CB 4.28Å; I320-R347 HydrophobicContact CG2-CG 4.15Å; I320-R347 VanDerWaalsContact O-CG 3.3Å; I320-R347 WeakPolarHBondContact O-CG 3.33Å; A321-R347 PolarHBondContact O-NE 3.02Å; A321-R347 PolarHBondContact O-NH2 3.31Å; S323-R347 WeakPolarHBondContact O-CD 3.38Å; S323-R347 PolarHBondContact O-NE 2.89Å; A342-R347 CarbonylContact C-O 3.56Å; A342-R347 WeakPolarHBondContact O-CB 3.39Å; A342-R347 PolarHBondContact O-N 2.95Å; L345-R347 WeakPolarHBondContact O-CG 3.43Å; R347-D397 IonicContact NH1-OD1 3.96Å; R347-D397 PolarHBondContact NH1-OD1 2.92Å
348	A	97.3	Very high	96.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	152.5	178.7	0	0	0	0	0	111	A325 V326 F389 L399	A325-A348 CarbonylContact C-O 3.6Å; A325-A348 VanDerWaalsContact CA-O 3.31Å; A325-A348 WeakPolarHBondContact CA-O 3.35Å; A325-A348 HydrophobicContact CB-CB 4.17Å; V326-A348 PolarHBondContact N-O 2.91Å; A348-F389 HydrophobicContact CB-CE1 3.53Å; A348-F389 HydrophobicContact CB-CZ 3.68Å; A348-L399 HydrophobicContact CB-CB 3.74Å; A348-L399 HydrophobicContact CB-CD1 4.22Å
349	V	98.6	Very high	96.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.3	178.7	-179.9	0	0	0	0	110.2	V326 P339 A342 M343 A351 V361 G367 F368	V326-V349 WeakPolarHBondContact O-CA 3.43Å; P339-V349 HydrophobicContact CB-CG1 4.13Å; P339-V349 HydrophobicContact CB-CG2 4.37Å; P339-V349 HydrophobicContact CG-CG1 4.28Å; A342-V349 HydrophobicContact CB-CG2 3.66Å; M343-V349 HydrophobicContact CE-CB 4.27Å; M343-V349 HydrophobicContact CE-CG2 3.99Å; M343-V349 HydrophobicContact CG-CG2 4.13Å; V349-A351 HydrophobicContact CG1-CB 4Å; V349-V361 HydrophobicContact CB-CG2 4.1Å; V349-V361 HydrophobicContact CG1-CG2 3.8Å; V349-G367 CarbonylContact O-C 3.59Å; V349-G367 WeakPolarHBondContact O-CA 3.49Å; V349-F368 PolarHBondContact O-N 2.78Å
350	I	98.7	Very high	96	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.5	165.9	-53.8	170.2	0	0	0	106.5	A325 V326 M327 Y328 F368 M382 Y385 L386 F389	A325-I350 HydrophobicContact CB-CD1 4.11Å; A325-I350 HydrophobicContact CB-CG1 4.2Å; V326-I350 PolarHBondContact O-N 3.35Å; M327-I350 CarbonylContact C-O 3.47Å; M327-I350 WeakPolarHBondContact CA-O 3.09Å; Y328-I350 PolarHBondContact N-O 3.14Å; I350-F368 WeakPolarHBondContact CA-O 3.46Å; I350-M382 HydrophobicContact CG2-CE 4.4Å; I350-M382 HydrophobicContact CG2-CG 4.11Å; I350-Y385 HydrophobicContact CG2-CD2 4.34Å; I350-L386 HydrophobicContact CD1-CD2 3.49Å; I350-L386 VanDerWaalsContact CD1-CD2 3.49Å; I350-L386 HydrophobicContact CD1-CG 4.33Å; I350-F389 HydrophobicContact CD1-CD2 4.1Å; I350-F389 HydrophobicContact CD1-CE2 3.58Å; I350-F389 HydrophobicContact CD1-CZ 4.44Å; I350-F389 HydrophobicContact CG1-CE2 3.89Å; I350-F389 HydrophobicContact CG1-CZ 4.37Å
351	A	98.2	Very high	96	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	167.7	-176.4	0	0	0	0	0	111.9	Y328 V349 P357 V361 F368 L369 C370	Y328-A351 HydrophobicContact CD1-CB 4.35Å; Y328-A351 WeakPolarHBondContact O-CA 3.21Å; V349-A351 HydrophobicContact CG1-CB 4Å; A351-P357 HydrophobicContact CB-CB 3.76Å; A351-P357 HydrophobicContact CB-CG 4.3Å; A351-V361 HydrophobicContact CB-CG2 4.29Å; A351-F368 PolarHBondContact N-O 3.46Å; A351-L369 HydrophobicContact CB-CD2 4.1Å; A351-L369 CarbonylContact O-C 3.37Å; A351-L369 WeakPolarHBondContact O-CA 3.43Å; A351-C370 PolarHBondContact O-N 3.48Å; A351-C370 PolarHBondContact O-SG 3.22Å
352	L	97.5	Very high	96.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	144	168.1	-58.6	-167.2	0	0	0	110.9	L243 Y328 T329 D331 S354 C370 V372 L378 M382	L243-L352 HydrophobicContact CD2-CD2 3.76Å; Y328-L352 PolarHBondContact O-N 3.47Å; T329-L352 WeakPolarHBondContact O-CD1 3.41Å; D331-L352 HydrophobicContact CB-CD1 3.92Å; L352-S354 PolarHBondContact O-N 3.17Å; L352-C370 HydrophobicContact CD2-CB 4.12Å; L352-V372 HydrophobicContact CB-CG2 4.11Å; L352-L378 HydrophobicContact CD1-CD2 4.41Å; L352-L378 HydrophobicContact CD2-CD1 3.84Å; L352-L378 HydrophobicContact CD2-CD2 3.88Å; L352-L378 HydrophobicContact CD2-CG 4.22Å; L352-M382 HydrophobicContact CD2-CE 3.97Å
353	D	96.3	Very high	96.2	Very high	55 Å²	55	22.1 Å²	22.1	29%	0.294	11%	0.111	S	C	.	.	S	Bend	trans	-74.2	58.6	170.1	-173.4	19.3	0	0	0	111	K358 L369 C370	D353-K358 WeakPolarHBondContact OD1-CD 3.4Å; D353-K358 WeakPolarHBondContact OD1-CE 3.48Å; D353-K358 WeakPolarHBondContact OD1-CG 3.32Å; D353-K358 IonicContact OD1-NZ 3.01Å; D353-K358 PolarHBondContact OD1-NZ 3.06Å; D353-L369 HydrophobicContact CB-CB 4.04Å; D353-C370 WeakPolarHBondContact CB-O 3.19Å; D353-C370 PolarHBondContact N-O 2.68Å
354	S	94.9	Very high	96.3	Very high	15 Å²	15	24.1 Å²	24.1	11%	0.105	13%	0.132	C	C	.	.	S	Bend	trans	-155.5	148.5	-174.6	-177.4	0	0	0	0	110.8	D331 K332 L352 P357	D331-S354 WeakPolarHBondContact OD1-CB 3.07Å; D331-S354 PolarHBondContact OD1-OG 3.48Å; K332-S354 PolarHBondContact N-OG 3.3Å; K332-S354 VanDerWaalsContact N-OG 3.09Å; L352-S354 PolarHBondContact O-N 3.17Å; S354-P357 VanDerWaalsContact O-CD 3.29Å; S354-P357 WeakPolarHBondContact O-CD 3.45Å
355	G	93.1	Very high	96.4	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	14%	0.143	C	C	.	.	S	Bend	trans	66.2	-154.2	179.2	0	0	0	0	0	114	E333 P357 K358	E333-G355 CarbonylContact O-C 3.56Å; E333-G355 WeakPolarHBondContact O-CA 3.34Å; G355-P357 VanDerWaalsContact C-CD 3.45Å; G355-K358 WeakPolarHBondContact O-CB 3.26Å; G355-K358 WeakPolarHBondContact O-CG 3.34Å; G355-K358 PolarHBondContact O-N 3.43Å
356	G	92.9	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.3	176.4	0	0	0	0	0	116.1	E333 F335 K358 E359 T360	E333-G356 PolarHBondContact O-N 3.01Å; F335-G356 CarbonylContact O-C 3.53Å; F335-G356 VanDerWaalsContact O-CA 3.28Å; F335-G356 WeakPolarHBondContact O-CA 3.34Å; G356-K358 PolarHBondContact O-N 3.45Å; G356-E359 WeakPolarHBondContact O-CA 3.46Å; G356-E359 WeakPolarHBondContact O-CB 3.42Å; G356-E359 PolarHBondContact O-N 2.9Å; G356-T360 PolarHBondContact O-N 3.5Å; G356-T360 VanDerWaalsContact O-N 3.1Å
357	P	95.7	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-51	-29.4	172	-33.9	36.4	0	0	0	116	Y328 A351 S354 G355 E359 T360 V361 L369	Y328-P357 HydrophobicContact CD1-CG 3.7Å; Y328-P357 HydrophobicContact CE1-CG 3.73Å; A351-P357 HydrophobicContact CB-CB 3.76Å; A351-P357 HydrophobicContact CB-CG 4.3Å; S354-P357 VanDerWaalsContact O-CD 3.29Å; S354-P357 WeakPolarHBondContact O-CD 3.45Å; G355-P357 VanDerWaalsContact C-CD 3.45Å; P357-E359 PolarHBondContact O-N 3.4Å; P357-T360 WeakPolarHBondContact CA-OG1 3.14Å; P357-T360 PolarHBondContact O-N 3.24Å; P357-V361 PolarHBondContact O-N 3.35Å; P357-L369 HydrophobicContact CB-CD2 4.27Å
358	K	95.3	Very high	96.7	Very high	117 Å²	117	23.7 Å²	23.7	51%	0.509	13%	0.133	S	C	.	.	H	α-helix	trans	-61.2	-23.2	174.5	-60.4	-167.6	61.5	150.6	0	113.5	D353 G355 G356	D353-K358 WeakPolarHBondContact OD1-CD 3.4Å; D353-K358 WeakPolarHBondContact OD1-CE 3.48Å; D353-K358 WeakPolarHBondContact OD1-CG 3.32Å; D353-K358 IonicContact OD1-NZ 3.01Å; D353-K358 PolarHBondContact OD1-NZ 3.06Å; G355-K358 WeakPolarHBondContact O-CB 3.26Å; G355-K358 WeakPolarHBondContact O-CG 3.34Å; G355-K358 PolarHBondContact O-N 3.43Å; G356-K358 PolarHBondContact O-N 3.45Å
359	E	94.4	Very high	96.8	Very high	20 Å²	20	24.5 Å²	24.5	9%	0.093	14%	0.137	C	C	.	.	H	α-helix	trans	-102.9	-32.4	-178.2	-59	176.8	-114.1	0	0	111.2	S163 K164 F165 Y186 G356 P357 R406	S163-E359 VanDerWaalsContact CB-OE1 3.26Å; S163-E359 WeakPolarHBondContact CB-OE1 3.39Å; K164-E359 WeakPolarHBondContact CA-OE1 3.48Å; K164-E359 VanDerWaalsContact CB-CD 3.41Å; K164-E359 HydrophobicContact CB-CG 4.38Å; K164-E359 WeakPolarHBondContact CB-OE1 3.4Å; K164-E359 VanDerWaalsContact CB-OE2 3.22Å; K164-E359 WeakPolarHBondContact CB-OE2 3.23Å; K164-E359 HydrophobicContact CD-CG 4.31Å; K164-E359 WeakPolarHBondContact CD-OE2 3.48Å; K164-E359 WeakPolarHBondContact CG-OE2 3.48Å; K164-E359 PolarHBondContact N-OE1 2.9Å; K164-E359 PolarHBondContact N-OE2 3.07Å; F165-E359 PolarHBondContact N-OE1 3.34Å; Y186-E359 WeakPolarHBondContact CE1-OE2 3.3Å; Y186-E359 PolarHBondContact OH-OE2 3.38Å; G356-E359 WeakPolarHBondContact O-CA 3.46Å; G356-E359 WeakPolarHBondContact O-CB 3.42Å; G356-E359 PolarHBondContact O-N 2.9Å; P357-E359 PolarHBondContact O-N 3.4Å; E359-R406 PolarHBondContact O-NH2 2.92Å
360	T	95.4	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-82.7	-38.6	-179.2	65.5	0	0	0	0	112.2	F335 I340 G356 P357 R406 F411	F335-T360 HydrophobicContact CD2-CG2 4.3Å; F335-T360 HydrophobicContact CE2-CG2 3.71Å; F335-T360 HydrophobicContact CZ-CG2 3.94Å; I340-T360 HydrophobicContact CD1-CG2 3.71Å; I340-T360 HydrophobicContact CG1-CG2 4.18Å; G356-T360 PolarHBondContact O-N 3.5Å; G356-T360 VanDerWaalsContact O-N 3.1Å; P357-T360 WeakPolarHBondContact CA-OG1 3.14Å; P357-T360 PolarHBondContact O-N 3.24Å; T360-R406 VanDerWaalsContact O-CD 3.31Å; T360-R406 WeakPolarHBondContact O-CD 3.36Å; T360-R406 PolarHBondContact O-NE 2.77Å; T360-F411 HydrophobicContact CG2-CE1 4.36Å; T360-F411 HydrophobicContact CG2-CZ 4.12Å
361	V	97.4	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.158	C	C	.	.			trans	-100.8	120.4	-176.2	-171.4	0	0	0	0	111.3	P339 M343 V349 A351 P357 L369	P339-V361 HydrophobicContact CB-CG2 4.43Å; M343-V361 HydrophobicContact CE-CB 4.14Å; M343-V361 HydrophobicContact CE-CG1 4.28Å; M343-V361 HydrophobicContact CE-CG2 3.73Å; V349-V361 HydrophobicContact CB-CG2 4.1Å; V349-V361 HydrophobicContact CG1-CG2 3.8Å; A351-V361 HydrophobicContact CB-CG2 4.29Å; P357-V361 PolarHBondContact O-N 3.35Å; V361-L369 HydrophobicContact CB-CD2 3.91Å; V361-L369 HydrophobicContact CB-CG 4.27Å; V361-L369 HydrophobicContact CG1-CD2 4.32Å; V361-L369 HydrophobicContact CG1-CG 4.34Å; V361-L369 HydrophobicContact CG2-CD2 4.44Å
362	L	97.6	Very high	96.2	Very high	73 Å²	73	28.7 Å²	28.7	38%	0.382	16%	0.163	S	C	.	.			trans	-84.3	112	165	-60.9	-177.5	0	0	0	110.1	G364 S365 T366 R406	L362-G364 PolarHBondContact O-N 3.16Å; L362-S365 PolarHBondContact O-N 2.94Å; L362-S365 VanDerWaalsContact O-N 3.09Å; L362-T366 HydrophobicContact CB-CG2 4.2Å; L362-T366 PolarHBondContact N-OG1 3.3Å; L362-T366 PolarHBondContact O-N 3.23Å; L362-T366 PolarHBondContact O-OG1 3.17Å; L362-R406 VanDerWaalsContact CD1-NH1 3.35Å; L362-R406 VanDerWaalsContact CG-CZ 3.49Å
363	H	98.1	Very high	95.8	Very high	101 Å²	101	36 Å²	36	47%	0.468	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-54.1	127.6	177.8	-173.7	96.2	0	0	0	111.6	S365 G367 L369 Y385	H363-S365 PolarHBondContact O-N 3.47Å; H363-G367 CarbonylContact C-O 3.23Å; H363-L369 HydrophobicContact CB-CB 4.46Å; H363-L369 HydrophobicContact CB-CD1 4.46Å; H363-L369 PolarHBondContact ND1-N 3.36Å; H363-L369 VanDerWaalsContact ND1-N 3.16Å; H363-L369 PolarHBondContact ND1-O 3.17Å; H363-Y385 AromaticContact CE1-CZ 3.75Å; H363-Y385 PolarHBondContact CE1-OH 3.22Å; H363-Y385 VanDerWaalsContact CE1-OH 3.3Å
364	G	97.7	Very high	95.7	Very high	43 Å²	43	36.2 Å²	36.2	44%	0.443	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-7.9	180	0	0	0	0	0	115.4	L362 G367	L362-G364 PolarHBondContact O-N 3.16Å; G364-G367 PolarHBondContact N-O 3.23Å
365	S	97.7	Very high	95.5	Very high	56 Å²	56	41.3 Å²	41.3	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-44.1	-176.9	169.5	0	0	0	0	113	L362 H363 L399 A402	L362-S365 PolarHBondContact O-N 2.94Å; L362-S365 VanDerWaalsContact O-N 3.09Å; H363-S365 PolarHBondContact O-N 3.47Å; S365-L399 VanDerWaalsContact O-CD2 3.26Å; S365-L399 WeakPolarHBondContact O-CD2 3.29Å; S365-A402 WeakPolarHBondContact O-CB 3.37Å
366	T	97.5	Very high	95.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-1.9	179.6	60.5	0	0	0	0	112.6	L362 A402 R406	L362-T366 HydrophobicContact CB-CG2 4.2Å; L362-T366 PolarHBondContact N-OG1 3.3Å; L362-T366 PolarHBondContact O-N 3.23Å; L362-T366 PolarHBondContact O-OG1 3.17Å; T366-A402 HydrophobicContact CG2-CB 4.24Å; T366-R406 HydrophobicContact CG2-CB 4.12Å
367	G	98.5	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-168.2	-168.6	0	0	0	0	0	111.6	V349 H363 G364	V349-G367 CarbonylContact O-C 3.59Å; V349-G367 WeakPolarHBondContact O-CA 3.49Å; H363-G367 CarbonylContact C-O 3.23Å; G364-G367 PolarHBondContact N-O 3.23Å
368	F	98.7	Very high	95.6	Very high	10 Å²	10	51.7 Å²	51.7	4%	0.044	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.2	177.3	-62.1	-71.6	0	0	0	111.2	V349 I350 A351 Y385 K388 F389 L395 L399	V349-F368 PolarHBondContact O-N 2.78Å; I350-F368 WeakPolarHBondContact CA-O 3.46Å; A351-F368 PolarHBondContact N-O 3.46Å; F368-Y385 HydrophobicContact CB-CD1 3.63Å; F368-Y385 HydrophobicContact CB-CD2 3.72Å; F368-Y385 HydrophobicContact CB-CE1 3.99Å; F368-Y385 HydrophobicContact CB-CE2 4.05Å; F368-Y385 HydrophobicContact CB-CG 3.53Å; F368-Y385 AromaticContact CD1-CD1 3.56Å; F368-Y385 HydrophobicContact CD1-CD1 3.56Å; F368-Y385 AromaticContact CD1-CE1 3.65Å; F368-Y385 HydrophobicContact CD1-CE1 3.65Å; F368-Y385 HydrophobicContact CD1-CG 4.34Å; F368-Y385 AromaticContact CD2-CD1 3.89Å; F368-Y385 HydrophobicContact CD2-CD1 3.89Å; F368-Y385 HydrophobicContact CD2-CG 4.09Å; F368-Y385 HydrophobicContact CE1-CD1 4.19Å; F368-Y385 HydrophobicContact CE1-CE1 4.36Å; F368-Y385 HydrophobicContact CE2-CD1 4.47Å; F368-Y385 AromaticContact CG-CD1 3.39Å; F368-Y385 HydrophobicContact CG-CD1 3.39Å; F368-Y385 HydrophobicContact CG-CD2 4.4Å; F368-Y385 AromaticContact CG-CE1 3.89Å; F368-Y385 HydrophobicContact CG-CE1 3.89Å; F368-Y385 AromaticContact CG-CG 3.73Å; F368-Y385 HydrophobicContact CG-CG 3.73Å; F368-K388 HydrophobicContact CE1-CD 4.12Å; F368-K388 HydrophobicContact CE2-CD 4.01Å; F368-K388 HydrophobicContact CZ-CD 3.62Å; F368-F389 HydrophobicContact CD2-CE2 4.04Å; F368-F389 HydrophobicContact CD2-CZ 4.28Å; F368-F389 HydrophobicContact CE2-CE2 4.01Å; F368-F389 HydrophobicContact CE2-CZ 4.14Å; F368-L395 HydrophobicContact CE2-CD2 4.13Å; F368-L395 HydrophobicContact CZ-CD2 4.39Å; F368-L399 HydrophobicContact CD2-CD1 4.36Å; F368-L399 HydrophobicContact CE2-CD1 3.68Å; F368-L399 HydrophobicContact CZ-CD1 4.06Å
369	L	98.2	Very high	95.8	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.6	173.1	-70.3	177.6	0	0	0	108.9	A351 D353 P357 V361 H363	A351-L369 HydrophobicContact CB-CD2 4.1Å; A351-L369 CarbonylContact O-C 3.37Å; A351-L369 WeakPolarHBondContact O-CA 3.43Å; D353-L369 HydrophobicContact CB-CB 4.04Å; P357-L369 HydrophobicContact CB-CD2 4.27Å; V361-L369 HydrophobicContact CB-CD2 3.91Å; V361-L369 HydrophobicContact CB-CG 4.27Å; V361-L369 HydrophobicContact CG1-CD2 4.32Å; V361-L369 HydrophobicContact CG1-CG 4.34Å; V361-L369 HydrophobicContact CG2-CD2 4.44Å; H363-L369 HydrophobicContact CB-CB 4.46Å; H363-L369 HydrophobicContact CB-CD1 4.46Å; H363-L369 PolarHBondContact ND1-N 3.36Å; H363-L369 VanDerWaalsContact ND1-N 3.16Å; H363-L369 PolarHBondContact ND1-O 3.17Å
370	C	97.7	Very high	95.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.7	178.8	-53.7	0	0	0	0	109.5	A351 L352 D353 V372 L378 T381 Y385	A351-C370 PolarHBondContact O-N 3.48Å; A351-C370 PolarHBondContact O-SG 3.22Å; L352-C370 HydrophobicContact CD2-CB 4.12Å; D353-C370 WeakPolarHBondContact CB-O 3.19Å; D353-C370 PolarHBondContact N-O 2.68Å; C370-V372 PolarHBondContact O-N 2.68Å; C370-L378 HydrophobicContact CB-CD1 3.75Å; C370-T381 HydrophobicContact CB-CG2 4.03Å; C370-Y385 HydrophobicContact CB-CE2 4.47Å; C370-Y385 VanDerWaalsContact SG-CD2 3.59Å
371	T	94.3	Very high	96	Very high	74 Å²	74	51 Å²	51	45%	0.454	28%	0.28	S	S	.	.			trans	-57.4	123.9	174.3	-48.6	0	0	0	0	110.1	H373 L378	T371-H373 VanDerWaalsContact C-N 3.32Å; T371-H373 WeakPolarHBondContact CG2-O 3.37Å; T371-H373 PolarHBondContact O-N 3.49Å; T371-L378 WeakPolarHBondContact O-CD1 3.47Å
372	V	90.5	Very high	96.1	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.091	28%	0.28	C	S	.	.			trans	-73.9	-24.7	-174.2	-178.4	0	0	0	0	112.6	L352 C370 P374 I375	L352-V372 HydrophobicContact CB-CG2 4.11Å; C370-V372 PolarHBondContact O-N 2.68Å; V372-P374 CarbonylContact O-C 3.36Å; V372-I375 VanDerWaalsContact O-CA 3.26Å; V372-I375 WeakPolarHBondContact O-CA 3.3Å; V372-I375 PolarHBondContact O-N 3.42Å
373	H	90.1	Very high	96.1	Very high	153 Å²	153	47.4 Å²	47.4	71%	0.708	26%	0.261	S	S	*	.	S	Bend	trans	-111.6	130.9	-178.9	-65.3	-65.5	0	0	0	111.4	T371	T371-H373 VanDerWaalsContact C-N 3.32Å; T371-H373 WeakPolarHBondContact CG2-O 3.37Å; T371-H373 PolarHBondContact O-N 3.49Å
374	P	93.7	Very high	96.1	Very high	60 Å²	60	45.3 Å²	45.3	39%	0.39	25%	0.254	S	S	.	.	S	Bend	cis	-81.3	139.7	0.1	36.3	-36.7	0	0	0	112.4	V372 N376 Q377	V372-P374 CarbonylContact O-C 3.36Å; P374-N376 WeakPolarHBondContact CB-OD1 3.41Å; P374-N376 PolarHBondContact O-N 3.2Å; P374-N376 VanDerWaalsContact O-N 3.16Å; P374-Q377 HydrophobicContact CG-CB 4.06Å; P374-Q377 HydrophobicContact CG-CG 3.79Å; P374-Q377 VanDerWaalsContact CG-OE1 3.32Å; P374-Q377 PolarHBondContact O-N 2.83Å
375	I	90.4	Very high	96.2	Very high	123 Å²	123	45 Å²	45	63%	0.631	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-62.4	-29.3	-168.6	-162.6	169.2	0	0	0	113.7	V372 Q377 L378	V372-I375 VanDerWaalsContact O-CA 3.26Å; V372-I375 WeakPolarHBondContact O-CA 3.3Å; V372-I375 PolarHBondContact O-N 3.42Å; I375-Q377 VanDerWaalsContact C-N 3.25Å; I375-Q377 PolarHBondContact O-N 3.33Å; I375-L378 WeakPolarHBondContact O-CB 3.47Å; I375-L378 PolarHBondContact O-N 2.93Å
376	N	93.1	Very high	96.2	Very high	126 Å²	126	42.3 Å²	42.3	67%	0.674	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-69.7	-21.1	177.8	64.6	-40.8	0	0	0	113.1	P374	P374-N376 WeakPolarHBondContact CB-OD1 3.41Å; P374-N376 PolarHBondContact O-N 3.2Å; P374-N376 VanDerWaalsContact O-N 3.16Å
377	Q	95.7	Very high	96.3	Very high	91 Å²	91	42.7 Å²	42.7	43%	0.425	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-91.5	-4.2	175.5	-66.8	178.4	-1.8	0	0	112.6	P374 I375 Q380 T381	P374-Q377 HydrophobicContact CG-CB 4.06Å; P374-Q377 HydrophobicContact CG-CG 3.79Å; P374-Q377 VanDerWaalsContact CG-OE1 3.32Å; P374-Q377 PolarHBondContact O-N 2.83Å; I375-Q377 VanDerWaalsContact C-N 3.25Å; I375-Q377 PolarHBondContact O-N 3.33Å; Q377-Q380 WeakPolarHBondContact O-CB 3.36Å; Q377-Q380 PolarHBondContact O-N 3.4Å; Q377-T381 PolarHBondContact O-N 2.86Å; Q377-T381 PolarHBondContact O-OG1 3Å
378	L	96.4	Very high	96.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-40.8	-175.6	-170.4	57.3	0	0	0	113.3	L243 L352 C370 T371 I375 Q380 T381 M382	L243-L378 HydrophobicContact CD1-CB 4.24Å; L243-L378 HydrophobicContact CD1-CD2 4.22Å; L243-L378 HydrophobicContact CD1-CG 3.84Å; L243-L378 HydrophobicContact CD2-CD2 3.6Å; L243-L378 HydrophobicContact CD2-CG 3.75Å; L243-L378 HydrophobicContact CG-CG 4.47Å; L352-L378 HydrophobicContact CD1-CD2 4.41Å; L352-L378 HydrophobicContact CD2-CD1 3.84Å; L352-L378 HydrophobicContact CD2-CD2 3.88Å; L352-L378 HydrophobicContact CD2-CG 4.22Å; C370-L378 HydrophobicContact CB-CD1 3.75Å; T371-L378 WeakPolarHBondContact O-CD1 3.47Å; I375-L378 WeakPolarHBondContact O-CB 3.47Å; I375-L378 PolarHBondContact O-N 2.93Å; L378-Q380 PolarHBondContact O-N 2.79Å; L378-T381 PolarHBondContact O-N 3.17Å; L378-M382 PolarHBondContact O-N 2.86Å
379	P	98.1	Very high	96.3	Very high	25 Å²	25	46.5 Å²	46.5	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-46	174.5	-26.3	36.1	0	0	0	113.3	L243 S247 M382 A383	L243-P379 HydrophobicContact CD1-CB 4.31Å; L243-P379 HydrophobicContact CD1-CG 3.9Å; S247-P379 WeakPolarHBondContact OG-CA 3.27Å; S247-P379 PolarHBondContact OG-O 2.88Å; P379-M382 PolarHBondContact O-N 2.89Å; P379-A383 WeakPolarHBondContact O-CB 3.06Å; P379-A383 PolarHBondContact O-N 2.64Å
380	Q	97.8	Very high	96.3	Very high	67 Å²	67	46 Å²	46	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-61.9	-47.5	177.8	174.1	-179.2	12.7	0	0	111.5	Y250 Q377 L378 M382 A383 N384	Y250-Q380 HydrophobicContact CD1-CB 4.39Å; Y250-Q380 HydrophobicContact CD1-CG 4.48Å; Y250-Q380 HydrophobicContact CD2-CB 4.11Å; Y250-Q380 HydrophobicContact CE1-CB 4.06Å; Y250-Q380 HydrophobicContact CE1-CG 3.75Å; Y250-Q380 HydrophobicContact CE2-CB 3.72Å; Y250-Q380 HydrophobicContact CE2-CG 4.02Å; Y250-Q380 HydrophobicContact CG-CB 4.44Å; Y250-Q380 VanDerWaalsContact CZ-CG 3.49Å; Y250-Q380 WeakPolarHBondContact OH-CG 3.3Å; Y250-Q380 PolarHBondContact OH-NE2 3.35Å; Q377-Q380 WeakPolarHBondContact O-CB 3.36Å; Q377-Q380 PolarHBondContact O-N 3.4Å; L378-Q380 PolarHBondContact O-N 2.79Å; Q380-M382 VanDerWaalsContact C-N 3.32Å; Q380-M382 PolarHBondContact O-N 2.76Å; Q380-A383 WeakPolarHBondContact O-CB 3.31Å; Q380-A383 PolarHBondContact O-N 2.97Å; Q380-N384 VanDerWaalsContact O-CG 3.3Å; Q380-N384 PolarHBondContact O-N 3.1Å; Q380-N384 PolarHBondContact O-ND2 2.94Å
381	T	97.8	Very high	96.3	Very high	29 Å²	29	48.7 Å²	48.7	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-45.3	179	-64	0	0	0	0	111.4	C370 Q377 L378 N384 Y385	C370-T381 HydrophobicContact CB-CG2 4.03Å; Q377-T381 PolarHBondContact O-N 2.86Å; Q377-T381 PolarHBondContact O-OG1 3Å; L378-T381 PolarHBondContact O-N 3.17Å; T381-N384 WeakPolarHBondContact O-CB 3.45Å; T381-N384 PolarHBondContact O-N 3.12Å; T381-Y385 HydrophobicContact CG2-CD2 4.47Å; T381-Y385 HydrophobicContact CG2-CE2 3.78Å; T381-Y385 VanDerWaalsContact O-CD2 3.29Å; T381-Y385 WeakPolarHBondContact O-CD2 3.48Å; T381-Y385 PolarHBondContact O-N 3.27Å
382	M	98.4	Very high	96.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-39.4	177.8	179.6	171.1	-68.5	0	0	111.5	L243 S247 M327 T329 I350 L352 L378 P379 Q380 N384 Y385 L386	L243-M382 HydrophobicContact CD2-CE 3.74Å; L243-M382 HydrophobicContact CD2-SD 4.19Å; L243-M382 HydrophobicContact CG-CE 4.27Å; L243-M382 HydrophobicContact CG-SD 4.06Å; S247-M382 WeakPolarHBondContact OG-CB 3.43Å; M327-M382 HydrophobicContact CE-CG 3.93Å; M327-M382 HydrophobicContact CE-SD 3.37Å; M327-M382 WeakPolarHBondContact CE-SD 3.43Å; T329-M382 HydrophobicContact CG2-CE 4.3Å; T329-M382 HydrophobicContact CG2-SD 4.33Å; I350-M382 HydrophobicContact CG2-CE 4.4Å; I350-M382 HydrophobicContact CG2-CG 4.11Å; L352-M382 HydrophobicContact CD2-CE 3.97Å; L378-M382 PolarHBondContact O-N 2.86Å; P379-M382 PolarHBondContact O-N 2.89Å; Q380-M382 VanDerWaalsContact C-N 3.32Å; Q380-M382 PolarHBondContact O-N 2.76Å; M382-N384 VanDerWaalsContact C-N 3.32Å; M382-N384 PolarHBondContact O-N 2.75Å; M382-Y385 PolarHBondContact O-N 2.94Å; M382-L386 WeakPolarHBondContact O-CG 3.31Å; M382-L386 PolarHBondContact O-N 3.33Å
383	A	98.6	Very high	96.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-39.6	173.9	0	0	0	0	0	112.8	S247 Y250 L251 P379 Q380 Y385 L386 S387	S247-A383 WeakPolarHBondContact O-CB 3.26Å; Y250-A383 HydrophobicContact CD1-CB 3.67Å; Y250-A383 HydrophobicContact CG-CB 4.17Å; L251-A383 HydrophobicContact CB-CB 4.21Å; P379-A383 WeakPolarHBondContact O-CB 3.06Å; P379-A383 PolarHBondContact O-N 2.64Å; Q380-A383 WeakPolarHBondContact O-CB 3.31Å; Q380-A383 PolarHBondContact O-N 2.97Å; A383-Y385 PolarHBondContact O-N 3.22Å; A383-L386 WeakPolarHBondContact O-CB 3.42Å; A383-L386 PolarHBondContact O-N 3.35Å; A383-L386 VanDerWaalsContact O-N 3.15Å; A383-S387 PolarHBondContact O-N 3.35Å
384	N	98.4	Very high	96.7	Very high	58 Å²	58	50.6 Å²	50.6	31%	0.31	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-26.2	173.6	-71.8	-26.3	0	0	0	113.1	L258 Q380 T381 M382 S387 K388	L258-N384 WeakPolarHBondContact CD2-OD1 3.25Å; Q380-N384 VanDerWaalsContact O-CG 3.3Å; Q380-N384 PolarHBondContact O-N 3.1Å; Q380-N384 PolarHBondContact O-ND2 2.94Å; T381-N384 WeakPolarHBondContact O-CB 3.45Å; T381-N384 PolarHBondContact O-N 3.12Å; M382-N384 VanDerWaalsContact C-N 3.32Å; M382-N384 PolarHBondContact O-N 2.75Å; N384-S387 PolarHBondContact O-OG 3.05Å; N384-K388 WeakPolarHBondContact O-CG 3.42Å
385	Y	98.6	Very high	96.9	Very high	35 Å²	35	48.3 Å²	48.3	14%	0.137	25%	0.249	C	C	.	.	H	α-helix	trans	-83.6	-36.8	172	-64.3	-49.6	0	0	0	111.9	I350 H363 F368 C370 T381 M382 A383 S387 K388 F389	I350-Y385 HydrophobicContact CG2-CD2 4.34Å; H363-Y385 AromaticContact CE1-CZ 3.75Å; H363-Y385 PolarHBondContact CE1-OH 3.22Å; H363-Y385 VanDerWaalsContact CE1-OH 3.3Å; F368-Y385 HydrophobicContact CB-CD1 3.63Å; F368-Y385 HydrophobicContact CB-CD2 3.72Å; F368-Y385 HydrophobicContact CB-CE1 3.99Å; F368-Y385 HydrophobicContact CB-CE2 4.05Å; F368-Y385 HydrophobicContact CB-CG 3.53Å; F368-Y385 AromaticContact CD1-CD1 3.56Å; F368-Y385 HydrophobicContact CD1-CD1 3.56Å; F368-Y385 AromaticContact CD1-CE1 3.65Å; F368-Y385 HydrophobicContact CD1-CE1 3.65Å; F368-Y385 HydrophobicContact CD1-CG 4.34Å; F368-Y385 AromaticContact CD2-CD1 3.89Å; F368-Y385 HydrophobicContact CD2-CD1 3.89Å; F368-Y385 HydrophobicContact CD2-CG 4.09Å; F368-Y385 HydrophobicContact CE1-CD1 4.19Å; F368-Y385 HydrophobicContact CE1-CE1 4.36Å; F368-Y385 HydrophobicContact CE2-CD1 4.47Å; F368-Y385 AromaticContact CG-CD1 3.39Å; F368-Y385 HydrophobicContact CG-CD1 3.39Å; F368-Y385 HydrophobicContact CG-CD2 4.4Å; F368-Y385 AromaticContact CG-CE1 3.89Å; F368-Y385 HydrophobicContact CG-CE1 3.89Å; F368-Y385 AromaticContact CG-CG 3.73Å; F368-Y385 HydrophobicContact CG-CG 3.73Å; C370-Y385 HydrophobicContact CB-CE2 4.47Å; C370-Y385 VanDerWaalsContact SG-CD2 3.59Å; T381-Y385 HydrophobicContact CG2-CD2 4.47Å; T381-Y385 HydrophobicContact CG2-CE2 3.78Å; T381-Y385 VanDerWaalsContact O-CD2 3.29Å; T381-Y385 WeakPolarHBondContact O-CD2 3.48Å; T381-Y385 PolarHBondContact O-N 3.27Å; M382-Y385 PolarHBondContact O-N 2.94Å; A383-Y385 PolarHBondContact O-N 3.22Å; Y385-S387 VanDerWaalsContact C-N 3.29Å; Y385-S387 PolarHBondContact O-N 2.87Å; Y385-K388 HydrophobicContact CD1-CD 4.28Å; Y385-K388 WeakPolarHBondContact O-CB 3.42Å; Y385-K388 PolarHBondContact O-N 2.65Å; Y385-F389 WeakPolarHBondContact O-CD2 3.36Å
386	L	98.7	Very high	97.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-43.3	172.7	-61.3	176	0	0	0	111	F229 L251 M327 I350 M382 A383 K388 F389 V390	F229-L386 HydrophobicContact CD1-CD2 3.55Å; F229-L386 HydrophobicContact CD2-CD2 3.84Å; F229-L386 HydrophobicContact CE1-CB 4.49Å; F229-L386 HydrophobicContact CE1-CD2 3.5Å; F229-L386 VanDerWaalsContact CE1-CD2 3.5Å; F229-L386 HydrophobicContact CE2-CB 4.01Å; F229-L386 HydrophobicContact CE2-CD2 3.77Å; F229-L386 HydrophobicContact CE2-CG 4.33Å; F229-L386 HydrophobicContact CG-CD2 3.71Å; F229-L386 HydrophobicContact CZ-CB 3.85Å; F229-L386 HydrophobicContact CZ-CD2 3.61Å; F229-L386 HydrophobicContact CZ-CG 4.3Å; L251-L386 HydrophobicContact CD2-CB 3.93Å; L251-L386 HydrophobicContact CD2-CD1 4.43Å; M327-L386 HydrophobicContact CE-CD1 3.94Å; M327-L386 HydrophobicContact CE-CD2 4.08Å; M327-L386 HydrophobicContact CE-CG 4.48Å; M327-L386 HydrophobicContact CG-CD2 4.1Å; M327-L386 HydrophobicContact SD-CD1 4.37Å; M327-L386 HydrophobicContact SD-CD2 3.83Å; I350-L386 HydrophobicContact CD1-CD2 3.49Å; I350-L386 VanDerWaalsContact CD1-CD2 3.49Å; I350-L386 HydrophobicContact CD1-CG 4.33Å; M382-L386 WeakPolarHBondContact O-CG 3.31Å; M382-L386 PolarHBondContact O-N 3.33Å; A383-L386 WeakPolarHBondContact O-CB 3.42Å; A383-L386 PolarHBondContact O-N 3.35Å; A383-L386 VanDerWaalsContact O-N 3.15Å; L386-K388 PolarHBondContact O-N 3.14Å; L386-F389 PolarHBondContact O-N 2.84Å; L386-V390 PolarHBondContact O-N 3.41Å
387	S	98.6	Very high	97.2	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.063	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-30.8	178.9	66.3	0	0	0	0	113.1	A383 N384 Y385 F389 V390 N391	A383-S387 PolarHBondContact O-N 3.35Å; N384-S387 PolarHBondContact O-OG 3.05Å; Y385-S387 VanDerWaalsContact C-N 3.29Å; Y385-S387 PolarHBondContact O-N 2.87Å; S387-F389 VanDerWaalsContact C-N 3.29Å; S387-F389 PolarHBondContact O-N 3.39Å; S387-V390 WeakPolarHBondContact O-CB 3.49Å; S387-V390 PolarHBondContact O-N 3.16Å; S387-V390 VanDerWaalsContact O-N 3.09Å; S387-N391 WeakPolarHBondContact O-CB 3.43Å; S387-N391 PolarHBondContact O-N 3.04Å; S387-N391 PolarHBondContact O-ND2 3.03Å
388	K	98.6	Very high	97.2	Very high	88 Å²	88	42.4 Å²	42.4	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-36.8	175.7	-63.5	-173.3	177.2	-166.4	0	112.7	F368 N384 Y385 L386 V390 N391 D392 L395	F368-K388 HydrophobicContact CE1-CD 4.12Å; F368-K388 HydrophobicContact CE2-CD 4.01Å; F368-K388 HydrophobicContact CZ-CD 3.62Å; N384-K388 WeakPolarHBondContact O-CG 3.42Å; Y385-K388 HydrophobicContact CD1-CD 4.28Å; Y385-K388 WeakPolarHBondContact O-CB 3.42Å; Y385-K388 PolarHBondContact O-N 2.65Å; L386-K388 PolarHBondContact O-N 3.14Å; K388-V390 VanDerWaalsContact C-N 3.29Å; K388-N391 PolarHBondContact O-N 3.02Å; K388-D392 WeakPolarHBondContact O-CB 3.45Å; K388-D392 PolarHBondContact O-N 3.32Å; K388-L395 HydrophobicContact CB-CD2 3.53Å
389	F	98	Very high	97.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-25	176.6	-65.1	-89.4	0	0	0	112.6	F229 D324 A325 A348 I350 F368 Y385 L386 S387 L395 A396 L399	F229-F389 HydrophobicContact CE1-CB 4.04Å; F229-F389 HydrophobicContact CE1-CD2 4.04Å; F229-F389 HydrophobicContact CE1-CG 4.1Å; F229-F389 HydrophobicContact CZ-CB 4.03Å; D324-F389 HydrophobicContact CB-CD1 4.48Å; A325-F389 HydrophobicContact CB-CD1 4.27Å; A325-F389 HydrophobicContact CB-CD2 4.4Å; A325-F389 HydrophobicContact CB-CE1 3.83Å; A325-F389 HydrophobicContact CB-CE2 4.01Å; A325-F389 HydrophobicContact CB-CZ 3.69Å; A348-F389 HydrophobicContact CB-CE1 3.53Å; A348-F389 HydrophobicContact CB-CZ 3.68Å; I350-F389 HydrophobicContact CD1-CD2 4.1Å; I350-F389 HydrophobicContact CD1-CE2 3.58Å; I350-F389 HydrophobicContact CD1-CZ 4.44Å; I350-F389 HydrophobicContact CG1-CE2 3.89Å; I350-F389 HydrophobicContact CG1-CZ 4.37Å; F368-F389 HydrophobicContact CD2-CE2 4.04Å; F368-F389 HydrophobicContact CD2-CZ 4.28Å; F368-F389 HydrophobicContact CE2-CE2 4.01Å; F368-F389 HydrophobicContact CE2-CZ 4.14Å; Y385-F389 WeakPolarHBondContact O-CD2 3.36Å; L386-F389 PolarHBondContact O-N 2.84Å; S387-F389 VanDerWaalsContact C-N 3.29Å; S387-F389 PolarHBondContact O-N 3.39Å; F389-L395 HydrophobicContact CD1-CB 4.49Å; F389-L395 HydrophobicContact CD1-CD2 4.26Å; F389-L395 HydrophobicContact CD1-CG 4.4Å; F389-L395 HydrophobicContact CD2-CD2 4.48Å; F389-L395 HydrophobicContact CE1-CD2 4.3Å; F389-L395 HydrophobicContact CE1-CG 4.26Å; F389-L395 HydrophobicContact CG-CD2 4.34Å; F389-L395 HydrophobicContact CZ-CD2 4.43Å; F389-A396 HydrophobicContact CD1-CB 4.06Å; F389-A396 HydrophobicContact CE1-CB 4.34Å; F389-L399 HydrophobicContact CE1-CD1 4.28Å; F389-L399 HydrophobicContact CZ-CD1 4.01Å
390	V	98.3	Very high	97.3	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-75.8	-43	173.3	-179.9	0	0	0	0	110.3	I227 W255 I259 V263 I265 V270 L386 S387 K388	I227-V390 HydrophobicContact CG1-CG2 4.44Å; I227-V390 HydrophobicContact CG2-CG2 4.36Å; W255-V390 HydrophobicContact CH2-CG1 3.84Å; W255-V390 HydrophobicContact CZ2-CG1 4.13Å; I259-V390 HydrophobicContact CD1-CB 3.66Å; I259-V390 HydrophobicContact CD1-CG1 3.61Å; I259-V390 HydrophobicContact CD1-CG2 4.2Å; I259-V390 HydrophobicContact CG1-CG1 4.17Å; I259-V390 HydrophobicContact CG2-CG1 3.91Å; V263-V390 HydrophobicContact CG1-CG1 4.21Å; I265-V390 HydrophobicContact CB-CG1 4.04Å; I265-V390 HydrophobicContact CG2-CG1 4Å; V270-V390 HydrophobicContact CG2-CG2 4.07Å; L386-V390 PolarHBondContact O-N 3.41Å; S387-V390 WeakPolarHBondContact O-CB 3.49Å; S387-V390 PolarHBondContact O-N 3.16Å; S387-V390 VanDerWaalsContact O-N 3.09Å; K388-V390 VanDerWaalsContact C-N 3.29Å
391	N	98.3	Very high	97.2	Very high	57 Å²	57	43.4 Å²	43.4	31%	0.305	21%	0.213	S	C	.	.	H	α-helix	trans	-76.4	-24.3	-177.3	-69.1	-28.6	0	0	0	114	L258 I259 D260 S387 K388	L258-N391 PolarHBondContact O-ND2 3.17Å; I259-N391 VanDerWaalsContact CA-OD1 3.31Å; I259-N391 WeakPolarHBondContact CA-OD1 3.42Å; D260-N391 PolarHBondContact N-OD1 3.3Å; S387-N391 WeakPolarHBondContact O-CB 3.43Å; S387-N391 PolarHBondContact O-N 3.04Å; S387-N391 PolarHBondContact O-ND2 3.03Å; K388-N391 PolarHBondContact O-N 3.02Å
392	D	97.3	Very high	97.2	Very high	52 Å²	52	43.2 Å²	43.2	28%	0.278	21%	0.214	S	C	.	.			trans	-130.3	97	-176.5	-179.5	-10.3	0	0	0	109.9	K388 E394 L395 R398	K388-D392 WeakPolarHBondContact O-CB 3.45Å; K388-D392 PolarHBondContact O-N 3.32Å; D392-E394 PolarHBondContact O-N 2.89Å; D392-E394 PolarHBondContact OD1-N 2.97Å; D392-E394 VanDerWaalsContact OD1-N 3.16Å; D392-L395 HydrophobicContact CB-CB 3.92Å; D392-L395 VanDerWaalsContact O-CB 3.28Å; D392-L395 WeakPolarHBondContact O-CB 2.99Å; D392-L395 PolarHBondContact O-N 3.29Å; D392-L395 VanDerWaalsContact O-N 3.15Å; D392-L395 PolarHBondContact OD1-N 3.4Å; D392-R398 IonicContact OD1-NH2 2.63Å; D392-R398 PolarHBondContact OD1-NH2 3.15Å; D392-R398 IonicContact OD2-CZ 3.83Å; D392-R398 IonicContact OD2-NH2 3.52Å; D392-R398 PolarHBondContact OD2-NH2 3.09Å
393	P	91.4	Very high	97.2	Very high	95 Å²	95	43.2 Å²	43.2	62%	0.617	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.7	-175.3	25.7	-34	0	0	0	113.7
394	E	94.8	Very high	97.1	Very high	136 Å²	136	44.5 Å²	44.5	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.7	179	-62.3	-170.4	172.1	0	0	112.8	D392 A396 D397 R398	D392-E394 PolarHBondContact O-N 2.89Å; D392-E394 PolarHBondContact OD1-N 2.97Å; D392-E394 VanDerWaalsContact OD1-N 3.16Å; E394-A396 VanDerWaalsContact C-N 3.3Å; E394-A396 PolarHBondContact O-N 2.76Å; E394-D397 PolarHBondContact O-N 3.21Å; E394-R398 PolarHBondContact O-N 3.01Å
395	L	97.1	Very high	97	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-42.2	-174.8	-173.1	64.3	0	0	0	112.6	F368 K388 F389 D392 D397 R398 L399	F368-L395 HydrophobicContact CE2-CD2 4.13Å; F368-L395 HydrophobicContact CZ-CD2 4.39Å; K388-L395 HydrophobicContact CB-CD2 3.53Å; F389-L395 HydrophobicContact CD1-CB 4.49Å; F389-L395 HydrophobicContact CD1-CD2 4.26Å; F389-L395 HydrophobicContact CD1-CG 4.4Å; F389-L395 HydrophobicContact CD2-CD2 4.48Å; F389-L395 HydrophobicContact CE1-CD2 4.3Å; F389-L395 HydrophobicContact CE1-CG 4.26Å; F389-L395 HydrophobicContact CG-CD2 4.34Å; F389-L395 HydrophobicContact CZ-CD2 4.43Å; D392-L395 HydrophobicContact CB-CB 3.92Å; D392-L395 VanDerWaalsContact O-CB 3.28Å; D392-L395 WeakPolarHBondContact O-CB 2.99Å; D392-L395 PolarHBondContact O-N 3.29Å; D392-L395 VanDerWaalsContact O-N 3.15Å; D392-L395 PolarHBondContact OD1-N 3.4Å; L395-D397 VanDerWaalsContact C-N 3.33Å; L395-D397 PolarHBondContact O-N 2.82Å; L395-R398 PolarHBondContact O-N 2.82Å; L395-L399 HydrophobicContact CD1-CD1 3.81Å; L395-L399 HydrophobicContact CD1-CD2 4.42Å; L395-L399 HydrophobicContact CD1-CG 3.89Å; L395-L399 HydrophobicContact CD2-CD1 4.39Å; L395-L399 HydrophobicContact CG-CD1 3.79Å; L395-L399 HydrophobicContact CG-CG 4.19Å; L395-L399 WeakPolarHBondContact O-CB 3.49Å; L395-L399 WeakPolarHBondContact O-CG 3.41Å; L395-L399 PolarHBondContact O-N 3.37Å
396	A	95.8	Very high	96.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-47.2	179.6	0	0	0	0	0	111.8	D324 F389 E394 G400	D324-A396 HydrophobicContact CB-CB 4.26Å; D324-A396 WeakPolarHBondContact O-CB 3.08Å; F389-A396 HydrophobicContact CD1-CB 4.06Å; F389-A396 HydrophobicContact CE1-CB 4.34Å; E394-A396 VanDerWaalsContact C-N 3.3Å; E394-A396 PolarHBondContact O-N 2.76Å; A396-G400 WeakPolarHBondContact O-CA 3.48Å; A396-G400 PolarHBondContact O-N 3.01Å
397	D	94.5	Very high	96.8	Very high	82 Å²	82	47.4 Å²	47.4	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-75.8	-36.8	-176.1	-64.2	-35.8	0	0	0	111.2	R347 E394 L395 K401	R347-D397 IonicContact NH1-OD1 3.96Å; R347-D397 PolarHBondContact NH1-OD1 2.92Å; E394-D397 PolarHBondContact O-N 3.21Å; L395-D397 VanDerWaalsContact C-N 3.33Å; L395-D397 PolarHBondContact O-N 2.82Å; D397-K401 WeakPolarHBondContact O-CB 3.5Å; D397-K401 PolarHBondContact O-N 2.93Å
398	R	96.8	Very high	96.6	Very high	133 Å²	133	50.7 Å²	50.7	50%	0.502	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-54.3	174.2	-117.9	-170.7	-52.9	131.5	9.9	112.3	D392 E394 L395 G400 A402	D392-R398 IonicContact OD1-NH2 2.63Å; D392-R398 PolarHBondContact OD1-NH2 3.15Å; D392-R398 IonicContact OD2-CZ 3.83Å; D392-R398 IonicContact OD2-NH2 3.52Å; D392-R398 PolarHBondContact OD2-NH2 3.09Å; E394-R398 PolarHBondContact O-N 3.01Å; L395-R398 PolarHBondContact O-N 2.82Å; R398-G400 VanDerWaalsContact C-N 3.33Å; R398-A402 PolarHBondContact O-N 3.21Å
399	L	98.1	Very high	96.4	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-37	-179	-64.5	-178.2	0	0	0	111.1	A348 S365 F368 F389 L395 A402 G403	A348-L399 HydrophobicContact CB-CB 3.74Å; A348-L399 HydrophobicContact CB-CD1 4.22Å; S365-L399 VanDerWaalsContact O-CD2 3.26Å; S365-L399 WeakPolarHBondContact O-CD2 3.29Å; F368-L399 HydrophobicContact CD2-CD1 4.36Å; F368-L399 HydrophobicContact CE2-CD1 3.68Å; F368-L399 HydrophobicContact CZ-CD1 4.06Å; F389-L399 HydrophobicContact CE1-CD1 4.28Å; F389-L399 HydrophobicContact CZ-CD1 4.01Å; L395-L399 HydrophobicContact CD1-CD1 3.81Å; L395-L399 HydrophobicContact CD1-CD2 4.42Å; L395-L399 HydrophobicContact CD1-CG 3.89Å; L395-L399 HydrophobicContact CD2-CD1 4.39Å; L395-L399 HydrophobicContact CG-CD1 3.79Å; L395-L399 HydrophobicContact CG-CG 4.19Å; L395-L399 WeakPolarHBondContact O-CB 3.49Å; L395-L399 WeakPolarHBondContact O-CG 3.41Å; L395-L399 PolarHBondContact O-N 3.37Å; L399-A402 PolarHBondContact O-N 2.92Å; L399-G403 PolarHBondContact O-N 3.38Å
400	G	97	Very high	96.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-46.8	176.5	0	0	0	0	0	112.8	S346 A396 R398 G403 C404	S346-G400 VanDerWaalsContact C-CA 3.41Å; S346-G400 WeakPolarHBondContact CA-O 3.31Å; S346-G400 WeakPolarHBondContact O-CA 3.48Å; A396-G400 WeakPolarHBondContact O-CA 3.48Å; A396-G400 PolarHBondContact O-N 3.01Å; R398-G400 VanDerWaalsContact C-N 3.33Å; G400-G403 PolarHBondContact O-N 2.89Å; G400-C404 PolarHBondContact O-N 3.42Å
401	K	96.6	Very high	96.1	Very high	111 Å²	111	55.9 Å²	55.9	48%	0.483	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-49.3	176.2	-177.6	-179.6	176	-175.4	0	111.8	D397 G403 C404 E405	D397-K401 WeakPolarHBondContact O-CB 3.5Å; D397-K401 PolarHBondContact O-N 2.93Å; K401-G403 PolarHBondContact O-N 3.3Å; K401-C404 WeakPolarHBondContact O-CB 3.34Å; K401-C404 PolarHBondContact O-N 2.79Å; K401-C404 VanDerWaalsContact O-N 3.12Å; K401-E405 VanDerWaalsContact CE-OE1 3.24Å; K401-E405 WeakPolarHBondContact CE-OE1 3.36Å; K401-E405 PolarHBondContact O-N 3.37Å
402	A	98	Very high	95.9	Very high	24 Å²	24	53.5 Å²	53.5	20%	0.198	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-35.4	176.6	0	0	0	0	0	112.1	S365 T366 R398 L399 R406	S365-A402 WeakPolarHBondContact O-CB 3.37Å; T366-A402 HydrophobicContact CG2-CB 4.24Å; R398-A402 PolarHBondContact O-N 3.21Å; L399-A402 PolarHBondContact O-N 2.92Å; A402-R406 WeakPolarHBondContact O-CB 3.34Å; A402-R406 PolarHBondContact O-N 3.4Å
403	G	97.4	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-47.2	172.2	0	0	0	0	0	112.6	L399 G400 K401 R406 V407	L399-G403 PolarHBondContact O-N 3.38Å; G400-G403 PolarHBondContact O-N 2.89Å; K401-G403 PolarHBondContact O-N 3.3Å; G403-R406 WeakPolarHBondContact O-CB 3.35Å; G403-R406 PolarHBondContact O-N 3.34Å; G403-V407 PolarHBondContact O-N 3.25Å
404	C	96.2	Very high	95.8	Very high	27 Å²	27	55.4 Å²	55.4	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-47.8	177.8	-168.3	0	0	0	0	111.7	M343 G400 K401 R406 V407 D408	M343-C404 VanDerWaalsContact O-CA 3.25Å; M343-C404 WeakPolarHBondContact O-CA 3.3Å; M343-C404 VanDerWaalsContact O-CB 3.31Å; M343-C404 WeakPolarHBondContact O-CB 3.32Å; M343-C404 PolarHBondContact O-N 2.94Å; G400-C404 PolarHBondContact O-N 3.42Å; K401-C404 WeakPolarHBondContact O-CB 3.34Å; K401-C404 PolarHBondContact O-N 2.79Å; K401-C404 VanDerWaalsContact O-N 3.12Å; C404-R406 VanDerWaalsContact C-N 3.29Å; C404-R406 PolarHBondContact O-N 2.67Å; C404-V407 PolarHBondContact O-N 2.71Å; C404-V407 VanDerWaalsContact O-N 3.1Å; C404-D408 PolarHBondContact O-N 2.89Å
405	E	96.9	Very high	95.9	Very high	116 Å²	116	49.7 Å²	49.7	54%	0.542	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-42.5	176.8	-69.8	170.8	-176.8	0	0	111.5	K401 V407 D408 E409	K401-E405 VanDerWaalsContact CE-OE1 3.24Å; K401-E405 WeakPolarHBondContact CE-OE1 3.36Å; K401-E405 PolarHBondContact O-N 3.37Å; E405-V407 PolarHBondContact O-N 2.85Å; E405-D408 PolarHBondContact O-N 2.93Å; E405-E409 PolarHBondContact O-N 2.86Å
406	R	96.6	Very high	95.8	Very high	38 Å²	38	49.5 Å²	49.5	14%	0.143	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-42.1	175.6	173.1	172.9	-172	73.5	-2.9	112.6	E359 T360 L362 T366 A402 G403 C404 E409 K410 F411	E359-R406 PolarHBondContact O-NH2 2.92Å; T360-R406 VanDerWaalsContact O-CD 3.31Å; T360-R406 WeakPolarHBondContact O-CD 3.36Å; T360-R406 PolarHBondContact O-NE 2.77Å; L362-R406 VanDerWaalsContact CD1-NH1 3.35Å; L362-R406 VanDerWaalsContact CG-CZ 3.49Å; T366-R406 HydrophobicContact CG2-CB 4.12Å; A402-R406 WeakPolarHBondContact O-CB 3.34Å; A402-R406 PolarHBondContact O-N 3.4Å; G403-R406 WeakPolarHBondContact O-CB 3.35Å; G403-R406 PolarHBondContact O-N 3.34Å; C404-R406 VanDerWaalsContact C-N 3.29Å; C404-R406 PolarHBondContact O-N 2.67Å; R406-E409 PolarHBondContact O-N 2.98Å; R406-K410 PolarHBondContact O-N 3.3Å; R406-F411 HydrophobicContact CG-CE2 4.21Å
407	V	96.1	Very high	95.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-45	177.3	171.4	0	0	0	0	110.6	I340 M343 L344 G403 C404 E405 E409 K410 F411 S412	I340-V407 HydrophobicContact CD1-CG2 4.17Å; I340-V407 HydrophobicContact CG2-CG1 4.01Å; I340-V407 HydrophobicContact CG2-CG2 4.02Å; M343-V407 HydrophobicContact CB-CG2 3.49Å; M343-V407 VanDerWaalsContact CB-CG2 3.49Å; M343-V407 HydrophobicContact CG-CG2 4.43Å; M343-V407 HydrophobicContact SD-CG2 4.14Å; L344-V407 HydrophobicContact CD1-CG1 4.3Å; L344-V407 HydrophobicContact CD2-CB 4.17Å; L344-V407 HydrophobicContact CD2-CG1 3.39Å; L344-V407 HydrophobicContact CG-CB 4.38Å; L344-V407 HydrophobicContact CG-CG1 3.67Å; G403-V407 PolarHBondContact O-N 3.25Å; C404-V407 PolarHBondContact O-N 2.71Å; C404-V407 VanDerWaalsContact O-N 3.1Å; E405-V407 PolarHBondContact O-N 2.85Å; V407-E409 PolarHBondContact O-N 3.35Å; V407-K410 PolarHBondContact O-N 2.8Å; V407-F411 HydrophobicContact CG1-CB 4.12Å; V407-F411 HydrophobicContact CG2-CD2 4.4Å; V407-F411 CarbonylContact O-C 3.51Å; V407-F411 VanDerWaalsContact O-C 3.23Å; V407-F411 WeakPolarHBondContact O-CA 3.27Å; V407-F411 PolarHBondContact O-N 3.16Å; V407-S412 PolarHBondContact O-N 3.19Å
408	D	94.1	Very high	96	Very high	79 Å²	79	54.9 Å²	54.9	42%	0.422	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-36.5	178.6	-75.8	-29.5	0	0	0	112.1	K191 C404 E405 S412	K191-D408 IonicContact NZ-OD1 3.03Å; C404-D408 PolarHBondContact O-N 2.89Å; E405-D408 PolarHBondContact O-N 2.93Å; D408-S412 WeakPolarHBondContact O-CB 3.46Å; D408-S412 PolarHBondContact O-OG 3.04Å
409	E	94.9	Very high	96	Very high	106 Å²	106	51.9 Å²	51.9	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-70.5	-50.4	176.8	-164.3	-156.4	149.8	0	0	113.2	E405 R406 V407 T415	E405-E409 PolarHBondContact O-N 2.86Å; R406-E409 PolarHBondContact O-N 2.98Å; V407-E409 PolarHBondContact O-N 3.35Å; E409-T415 PolarHBondContact O-OG1 3.41Å
410	K	94.7	Very high	96	Very high	90 Å²	90	51.6 Å²	51.6	39%	0.391	25%	0.251	S	S	.	.	H	α-helix	trans	-109.7	-28.9	-165.7	-64.5	-54.6	-165	-150.3	0	115.4	R406 V407	R406-K410 PolarHBondContact O-N 3.3Å; V407-K410 PolarHBondContact O-N 2.8Å
411	F	95.2	Very high	96	Very high	7 Å²	7	54.9 Å²	54.9	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	-124.4	20	-168.5	-50	-70	0	0	0	112.3	Y186 F335 I340 T360 R406 V407	Y186-F411 AromaticContact CD1-CE1 3.96Å; Y186-F411 HydrophobicContact CD1-CE1 3.96Å; Y186-F411 HydrophobicContact CD2-CD1 4.3Å; Y186-F411 HydrophobicContact CD2-CE1 4.03Å; Y186-F411 HydrophobicContact CE1-CE1 4.36Å; Y186-F411 HydrophobicContact CE2-CE1 4.44Å; Y186-F411 AromaticContact CG-CD1 3.99Å; Y186-F411 HydrophobicContact CG-CD1 3.99Å; Y186-F411 AromaticContact CG-CE1 3.78Å; Y186-F411 HydrophobicContact CG-CE1 3.78Å; F335-F411 HydrophobicContact CE2-CD1 4.32Å; F335-F411 HydrophobicContact CE2-CE1 4.08Å; F335-F411 AromaticContact CZ-CD1 3.89Å; F335-F411 HydrophobicContact CZ-CD1 3.89Å; F335-F411 HydrophobicContact CZ-CE1 4.09Å; I340-F411 HydrophobicContact CD1-CB 4.02Å; I340-F411 HydrophobicContact CD1-CD1 4.22Å; I340-F411 HydrophobicContact CD1-CD2 3.48Å; I340-F411 VanDerWaalsContact CD1-CD2 3.48Å; I340-F411 HydrophobicContact CD1-CE2 3.94Å; I340-F411 HydrophobicContact CD1-CG 3.64Å; I340-F411 HydrophobicContact CD1-CZ 4.49Å; I340-F411 HydrophobicContact CG2-CB 4.38Å; T360-F411 HydrophobicContact CG2-CE1 4.36Å; T360-F411 HydrophobicContact CG2-CZ 4.12Å; R406-F411 HydrophobicContact CG-CE2 4.21Å; V407-F411 HydrophobicContact CG1-CB 4.12Å; V407-F411 HydrophobicContact CG2-CD2 4.4Å; V407-F411 CarbonylContact O-C 3.51Å; V407-F411 VanDerWaalsContact O-C 3.23Å; V407-F411 WeakPolarHBondContact O-CA 3.27Å; V407-F411 PolarHBondContact O-N 3.16Å
412	S	93.7	Very high	96	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.049	26%	0.259	C	S	.	.	S	Bend	trans	-82.4	157.5	177.6	67	0	0	0	0	112.1	V407 D408 I414 T415 F416	V407-S412 PolarHBondContact O-N 3.19Å; D408-S412 WeakPolarHBondContact O-CB 3.46Å; D408-S412 PolarHBondContact O-OG 3.04Å; S412-I414 PolarHBondContact O-N 3.06Å; S412-T415 PolarHBondContact O-N 2.88Å; S412-T415 PolarHBondContact OG-N 2.93Å; S412-T415 VanDerWaalsContact OG-N 3.16Å; S412-T415 PolarHBondContact OG-OG1 2.63Å; S412-F416 WeakPolarHBondContact O-CB 3.44Å; S412-F416 PolarHBondContact O-N 3.18Å
413	S	93	Very high	95.9	Very high	63 Å²	63	51 Å²	51	44%	0.441	25%	0.249	S	C	.	.	H	α-helix	trans	-55.5	-33.5	170.7	56.9	0	0	0	0	112.4	K417	S413-K417 WeakPolarHBondContact O-CB 3.2Å; S413-K417 PolarHBondContact O-N 3.09Å
414	I	94.9	Very high	95.9	Very high	125 Å²	125	51 Å²	51	64%	0.641	25%	0.249	S	C	*	.	H	α-helix	trans	-68	-49.5	179.1	-61	172.9	0	0	0	110	S412 K417 R418	S412-I414 PolarHBondContact O-N 3.06Å; I414-K417 PolarHBondContact O-N 3.45Å; I414-R418 WeakPolarHBondContact O-CB 3.46Å; I414-R418 PolarHBondContact O-N 2.98Å
415	T	95.7	Very high	95.9	Very high	15 Å²	15	52 Å²	52	9%	0.092	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-47.2	177	-65.6	0	0	0	0	110.6	E409 S412 K417 R418 E419	E409-T415 PolarHBondContact O-OG1 3.41Å; S412-T415 PolarHBondContact O-N 2.88Å; S412-T415 PolarHBondContact OG-N 2.93Å; S412-T415 VanDerWaalsContact OG-N 3.16Å; S412-T415 PolarHBondContact OG-OG1 2.63Å; T415-K417 PolarHBondContact O-N 3.3Å; T415-R418 PolarHBondContact O-N 3.4Å; T415-E419 HydrophobicContact CG2-CG 4.22Å; T415-E419 WeakPolarHBondContact O-CG 3.44Å; T415-E419 PolarHBondContact O-N 2.84Å
416	F	96.6	Very high	95.8	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-53.4	-51.1	175.7	177.8	-96.8	0	0	0	112.7	L20 D23 S24 A27 L185 Y186 I188 S412 R418 E419 L420	L20-F416 HydrophobicContact CD1-CE2 4.1Å; L20-F416 HydrophobicContact CD1-CZ 4.37Å; D23-F416 HydrophobicContact CB-CE1 4.34Å; D23-F416 HydrophobicContact CB-CZ 4.47Å; S24-F416 WeakPolarHBondContact OG-CZ 3.46Å; A27-F416 HydrophobicContact CB-CD1 3.96Å; A27-F416 HydrophobicContact CB-CE1 3.87Å; L185-F416 HydrophobicContact CD1-CD2 3.74Å; L185-F416 HydrophobicContact CD1-CE2 3.88Å; L185-F416 HydrophobicContact CD1-CG 4.47Å; L185-F416 HydrophobicContact CD2-CD2 4.31Å; L185-F416 HydrophobicContact CD2-CE2 3.59Å; L185-F416 HydrophobicContact CD2-CZ 3.92Å; L185-F416 HydrophobicContact CG-CD2 3.87Å; L185-F416 HydrophobicContact CG-CE2 3.53Å; L185-F416 HydrophobicContact CG-CZ 4.35Å; Y186-F416 WeakPolarHBondContact O-CD2 3.36Å; I188-F416 HydrophobicContact CD1-CD1 4.46Å; I188-F416 HydrophobicContact CG2-CB 3.53Å; I188-F416 HydrophobicContact CG2-CD2 4.12Å; I188-F416 HydrophobicContact CG2-CG 3.88Å; S412-F416 WeakPolarHBondContact O-CB 3.44Å; S412-F416 PolarHBondContact O-N 3.18Å; F416-R418 PolarHBondContact O-N 3.21Å; F416-E419 PolarHBondContact O-N 3.23Å; F416-L420 HydrophobicContact CE1-CD2 4Å; F416-L420 HydrophobicContact CZ-CD2 4.27Å; F416-L420 VanDerWaalsContact O-CB 3.3Å; F416-L420 WeakPolarHBondContact O-CB 3.48Å; F416-L420 PolarHBondContact O-N 3.44Å
417	K	96.4	Very high	95.8	Very high	65 Å²	65	48.2 Å²	48.2	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-57.4	-47.8	177.5	176.7	-179.2	174.9	168.9	0	111.7	A27 S30 C31 S413 I414 T415 L420 Q421	A27-K417 HydrophobicContact CB-CB 4.18Å; A27-K417 HydrophobicContact CB-CG 4.38Å; S30-K417 PolarHBondContact O-NZ 3.35Å; S30-K417 WeakPolarHBondContact OG-CD 3.34Å; S30-K417 WeakPolarHBondContact OG-CE 3.16Å; S30-K417 PolarHBondContact OG-NZ 3.5Å; C31-K417 WeakPolarHBondContact SG-CE 3.18Å; C31-K417 VanDerWaalsContact SG-CG 3.51Å; S413-K417 WeakPolarHBondContact O-CB 3.2Å; S413-K417 PolarHBondContact O-N 3.09Å; I414-K417 PolarHBondContact O-N 3.45Å; T415-K417 PolarHBondContact O-N 3.3Å; K417-L420 PolarHBondContact O-N 2.91Å; K417-Q421 VanDerWaalsContact O-CB 3.28Å; K417-Q421 WeakPolarHBondContact O-CB 3.38Å; K417-Q421 PolarHBondContact O-N 3.49Å
418	R	97.1	Very high	95.7	Very high	130 Å²	130	48.7 Å²	48.7	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-47.5	-179.9	-176.8	-176.2	66.8	-149.1	-6.1	112	I414 T415 F416 T422	I414-R418 WeakPolarHBondContact O-CB 3.46Å; I414-R418 PolarHBondContact O-N 2.98Å; T415-R418 PolarHBondContact O-N 3.4Å; F416-R418 PolarHBondContact O-N 3.21Å; R418-T422 WeakPolarHBondContact O-CB 3.43Å; R418-T422 PolarHBondContact O-N 3.22Å; R418-T422 PolarHBondContact O-OG1 3.32Å
419	E	97.1	Very high	95.6	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-45.9	178.9	-64.6	-54.7	142.9	0	0	111.1	L185 T415 F416 T422 I423	L185-E419 HydrophobicContact CD1-CB 3.93Å; T415-E419 HydrophobicContact CG2-CG 4.22Å; T415-E419 WeakPolarHBondContact O-CG 3.44Å; T415-E419 PolarHBondContact O-N 2.84Å; F416-E419 PolarHBondContact O-N 3.23Å; E419-T422 WeakPolarHBondContact O-CB 3.5Å; E419-T422 PolarHBondContact O-N 3.16Å; E419-I423 WeakPolarHBondContact O-CD1 3.48Å; E419-I423 VanDerWaalsContact O-CG1 3.32Å; E419-I423 WeakPolarHBondContact O-CG1 3.26Å; E419-I423 PolarHBondContact O-N 3.08Å
420	L	97.4	Very high	95.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-45.1	178.7	179.8	56.4	0	0	0	111.9	S24 A27 L28 F100 L185 F416 K417 T422 I423 V424	S24-L420 WeakPolarHBondContact O-CD2 3.13Å; A27-L420 HydrophobicContact CB-CD2 4.26Å; L28-L420 HydrophobicContact CD1-CD1 4.37Å; L28-L420 HydrophobicContact CD1-CD2 3.91Å; L28-L420 HydrophobicContact CD1-CG 4.09Å; L28-L420 HydrophobicContact CD2-CD2 4.3Å; L28-L420 HydrophobicContact CD2-CG 3.96Å; L28-L420 HydrophobicContact CG-CD2 3.73Å; L28-L420 HydrophobicContact CG-CG 3.93Å; F100-L420 HydrophobicContact CE1-CD1 3.95Å; F100-L420 HydrophobicContact CZ-CD1 3.67Å; L185-L420 HydrophobicContact CD1-CB 4.07Å; L185-L420 HydrophobicContact CD2-CB 4.19Å; L185-L420 HydrophobicContact CD2-CD1 3.82Å; L185-L420 HydrophobicContact CD2-CD2 4.46Å; L185-L420 HydrophobicContact CD2-CG 4.37Å; F416-L420 HydrophobicContact CE1-CD2 4Å; F416-L420 HydrophobicContact CZ-CD2 4.27Å; F416-L420 VanDerWaalsContact O-CB 3.3Å; F416-L420 WeakPolarHBondContact O-CB 3.48Å; F416-L420 PolarHBondContact O-N 3.44Å; K417-L420 PolarHBondContact O-N 2.91Å; L420-T422 VanDerWaalsContact C-N 3.29Å; L420-T422 PolarHBondContact O-N 3.21Å; L420-I423 PolarHBondContact O-N 3.36Å; L420-V424 HydrophobicContact CD1-CG2 4.39Å; L420-V424 WeakPolarHBondContact O-CG2 3.28Å; L420-V424 PolarHBondContact O-N 3.07Å
421	Q	97.2	Very high	94.4	Very high	68 Å²	68	50.9 Å²	50.9	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-40.2	175.4	-178.7	172.2	26.3	0	0	111.8	C31 Y33 K417 V424 T425	C31-Q421 PolarHBondContact SG-OE1 3Å; Y33-Q421 HydrophobicContact CE2-CG 4.16Å; K417-Q421 VanDerWaalsContact O-CB 3.28Å; K417-Q421 WeakPolarHBondContact O-CB 3.38Å; K417-Q421 PolarHBondContact O-N 3.49Å; Q421-V424 PolarHBondContact O-N 3.34Å; Q421-T425 VanDerWaalsContact O-CB 3.29Å; Q421-T425 WeakPolarHBondContact O-CB 3.24Å; Q421-T425 PolarHBondContact O-N 3.3Å; Q421-T425 PolarHBondContact O-OG1 3.07Å
422	T	97.2	Very high	93.3	Very high	54 Å²	54	56.7 Å²	56.7	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-47.9	178	-58.3	0	0	0	0	110.2	R418 E419 L420 V424 T425 D426	R418-T422 WeakPolarHBondContact O-CB 3.43Å; R418-T422 PolarHBondContact O-N 3.22Å; R418-T422 PolarHBondContact O-OG1 3.32Å; E419-T422 WeakPolarHBondContact O-CB 3.5Å; E419-T422 PolarHBondContact O-N 3.16Å; L420-T422 VanDerWaalsContact C-N 3.29Å; L420-T422 PolarHBondContact O-N 3.21Å; T422-V424 PolarHBondContact O-N 3.08Å; T422-T425 PolarHBondContact O-N 3.15Å; T422-D426 WeakPolarHBondContact O-CB 3.35Å; T422-D426 PolarHBondContact O-N 2.89Å
423	I	96.7	Very high	91.5	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-57.1	-47.7	177.2	-70.5	159.9	0	0	0	111.6	I119 I158 L160 R183 E419 L420 L427	I119-I423 HydrophobicContact CD1-CG2 3.92Å; I158-I423 HydrophobicContact CD1-CG2 3.96Å; I158-I423 HydrophobicContact CG2-CG2 4.35Å; L160-I423 HydrophobicContact CD2-CD1 3.82Å; L160-I423 HydrophobicContact CD2-CG2 4.1Å; R183-I423 HydrophobicContact CB-CD1 4.14Å; R183-I423 HydrophobicContact CB-CG1 4.35Å; R183-I423 HydrophobicContact CG-CG1 4.45Å; E419-I423 WeakPolarHBondContact O-CD1 3.48Å; E419-I423 VanDerWaalsContact O-CG1 3.32Å; E419-I423 WeakPolarHBondContact O-CG1 3.26Å; E419-I423 PolarHBondContact O-N 3.08Å; L420-I423 PolarHBondContact O-N 3.36Å; I423-L427 PolarHBondContact O-N 3.21Å
424	V	97.1	Very high	91.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-43.6	179.4	167.6	0	0	0	0	111.1	I5 L28 Y33 V98 F100 I119 L420 Q421 T422 L427 I428	I5-V424 HydrophobicContact CD1-CG1 3.73Å; I5-V424 HydrophobicContact CD1-CG2 4.37Å; L28-V424 HydrophobicContact CD1-CG2 4.27Å; L28-V424 HydrophobicContact CD2-CB 4.43Å; L28-V424 HydrophobicContact CD2-CG2 3.95Å; Y33-V424 HydrophobicContact CE1-CG1 4Å; V98-V424 HydrophobicContact CG2-CG1 4.24Å; F100-V424 HydrophobicContact CE2-CG2 3.84Å; F100-V424 HydrophobicContact CZ-CG2 3.76Å; I119-V424 HydrophobicContact CD1-CG2 4.29Å; L420-V424 HydrophobicContact CD1-CG2 4.39Å; L420-V424 WeakPolarHBondContact O-CG2 3.28Å; L420-V424 PolarHBondContact O-N 3.07Å; Q421-V424 PolarHBondContact O-N 3.34Å; T422-V424 PolarHBondContact O-N 3.08Å; V424-L427 PolarHBondContact O-N 2.93Å; V424-I428 HydrophobicContact CG1-CD1 3.74Å; V424-I428 HydrophobicContact CG1-CG1 4.48Å; V424-I428 WeakPolarHBondContact O-CG1 3.39Å; V424-I428 PolarHBondContact O-N 2.96Å
425	T	96.1	Very high	91.2	Very high	47 Å²	47	59 Å²	59	29%	0.288	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-42.6	-179.3	-57.2	0	0	0	0	111.6	Y33 Q421 T422 L427 I428 N429	Y33-T425 PolarHBondContact OH-OG1 3.34Å; Q421-T425 VanDerWaalsContact O-CB 3.29Å; Q421-T425 WeakPolarHBondContact O-CB 3.24Å; Q421-T425 PolarHBondContact O-N 3.3Å; Q421-T425 PolarHBondContact O-OG1 3.07Å; T422-T425 PolarHBondContact O-N 3.15Å; T425-L427 VanDerWaalsContact C-N 3.28Å; T425-L427 PolarHBondContact O-N 3.44Å; T425-I428 PolarHBondContact O-N 3.46Å; T425-N429 WeakPolarHBondContact O-CB 3.31Å; T425-N429 PolarHBondContact O-N 3.2Å; T425-N429 PolarHBondContact O-ND2 2.98Å
426	D	95.2	Very high	91	Very high	69 Å²	69	61.4 Å²	61.4	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-55.3	-45.3	174.7	-70.4	-15.1	0	0	0	110.8	R183 T422 K430	R183-D426 IonicContact CZ-OD2 2.63Å; R183-D426 IonicContact NH1-OD2 3.06Å; R183-D426 PolarHBondContact NH1-OD2 3.05Å; R183-D426 IonicContact NH2-OD2 2.67Å; R183-D426 PolarHBondContact NH2-OD2 3.16Å; T422-D426 WeakPolarHBondContact O-CB 3.35Å; T422-D426 PolarHBondContact O-N 2.89Å; D426-K430 WeakPolarHBondContact O-CB 3.41Å; D426-K430 PolarHBondContact O-N 3.18Å
427	L	95.1	Very high	90.7	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-48.2	179.7	-177.5	56.7	0	0	0	111.9	V98 N117 I119 D157 I158 I423 V424 T425 N429 K430 D431	V98-L427 HydrophobicContact CG1-CD2 4.11Å; V98-L427 HydrophobicContact CG2-CD2 4.18Å; N117-L427 HydrophobicContact CB-CD2 4.08Å; N117-L427 HydrophobicContact CB-CG 4.28Å; I119-L427 HydrophobicContact CD1-CD2 3.81Å; I119-L427 HydrophobicContact CG1-CD2 3.53Å; D157-L427 HydrophobicContact CB-CD1 3.59Å; D157-L427 HydrophobicContact CB-CD2 4.42Å; I158-L427 HydrophobicContact CD1-CB 3.99Å; I158-L427 HydrophobicContact CD1-CD1 4.46Å; I158-L427 HydrophobicContact CD1-CD2 4.41Å; I423-L427 PolarHBondContact O-N 3.21Å; V424-L427 PolarHBondContact O-N 2.93Å; T425-L427 VanDerWaalsContact C-N 3.28Å; T425-L427 PolarHBondContact O-N 3.44Å; L427-N429 VanDerWaalsContact C-N 3.27Å; L427-N429 PolarHBondContact O-N 3.4Å; L427-K430 PolarHBondContact O-N 2.9Å; L427-D431 PolarHBondContact O-N 2.88Å
428	I	94.6	Very high	90.3	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-38.5	179.6	-69.1	170.4	0	0	0	111.4	K3 Y33 D97 V98 V424 T425 Q432	K3-I428 HydrophobicContact CB-CD1 4.37Å; K3-I428 HydrophobicContact CD-CD1 4.48Å; K3-I428 HydrophobicContact CD-CG2 4.49Å; K3-I428 HydrophobicContact CG-CD1 4.39Å; Y33-I428 HydrophobicContact CE1-CD1 4.38Å; D97-I428 HydrophobicContact CB-CD1 4.24Å; D97-I428 HydrophobicContact CB-CG1 4.37Å; V98-I428 HydrophobicContact CG2-CD1 4.04Å; V98-I428 HydrophobicContact CG2-CG1 3.64Å; V424-I428 HydrophobicContact CG1-CD1 3.74Å; V424-I428 HydrophobicContact CG1-CG1 4.48Å; V424-I428 WeakPolarHBondContact O-CG1 3.39Å; V424-I428 PolarHBondContact O-N 2.96Å; T425-I428 PolarHBondContact O-N 3.46Å; I428-Q432 WeakPolarHBondContact O-CG 3.35Å
429	N	92.1	Very high	89.9	Confident	92 Å²	92	60.1 Å²	60.1	49%	0.492	35%	0.347	S	S	.	.	H	α-helix	trans	-73.4	-37.1	-179.4	-70.5	-16.5	0	0	0	112.2	T425 L427 D431 Q432 G433	T425-N429 WeakPolarHBondContact O-CB 3.31Å; T425-N429 PolarHBondContact O-N 3.2Å; T425-N429 PolarHBondContact O-ND2 2.98Å; L427-N429 VanDerWaalsContact C-N 3.27Å; L427-N429 PolarHBondContact O-N 3.4Å; N429-D431 PolarHBondContact O-N 2.96Å; N429-Q432 PolarHBondContact O-N 2.67Å; N429-G433 PolarHBondContact O-N 2.63Å
430	K	87.7	Confident	89.3	Confident	137 Å²	137	59.4 Å²	59.4	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-62.3	-31.4	176.3	-172.3	-177.5	176.5	-171.8	0	112.2	D426 L427 Q432	D426-K430 WeakPolarHBondContact O-CB 3.41Å; D426-K430 PolarHBondContact O-N 3.18Å; L427-K430 PolarHBondContact O-N 2.9Å; K430-Q432 VanDerWaalsContact C-N 3.31Å
431	D	76	Confident	88.7	Confident	91 Å²	91	63.9 Å²	63.9	49%	0.487	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.7	-178.6	-131.2	42.7	0	0	0	113.5	N117 L427 N429	N117-D431 VanDerWaalsContact ND2-CG 3.33Å; N117-D431 PolarHBondContact ND2-OD2 2.99Å; N117-D431 PolarHBondContact OD1-OD1 3.08Å; N117-D431 PolarHBondContact OD1-OD2 2.82Å; L427-D431 PolarHBondContact O-N 2.88Å; N429-D431 PolarHBondContact O-N 2.96Å
432	Q	72.4	Confident	88	Confident	130 Å²	130	63.6 Å²	63.6	61%	0.607	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.1	178.6	-69.7	175.4	29.3	0	0	113.7	I428 N429 K430	I428-Q432 WeakPolarHBondContact O-CG 3.35Å; N429-Q432 PolarHBondContact O-N 2.67Å; K430-Q432 VanDerWaalsContact C-N 3.31Å
433	G	56.1	Low	87.2	Confident	125 Å²	125	64.5 Å²	64.5	100%	1.289	38%	0.384	S	S	*	.			trans	-106.9	0	177.6	0	0	0	0	0	111.1	N429	N429-G433 PolarHBondContact O-N 2.63Å

Retrieved 433 of 433 residues in 96.2 ms (Link to these results)

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