A0A3Q0KHV1_SCHMA Loading...

RNA-splicing ligase RtcB homolog

Catalytic subunit of the tRNA-splicing ligase complex that acts by directly joining spliced tRNA halves to mature-sized tRNAs by incorporating the precursor-derived splice junction phosphate into the mature tRNA as a canonical 3',5'-phosphodiester. May act as an RNA ligase with broad substrate specificity, and may function toward other RNAs.

AlphaFold DB , UniProt , Accession A0A3Q0KHV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 505 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.5	Low	90.1	Very high	242 Å²	242	82 Å²	82	100%	1.192	45%	0.451	S	S	*	.				0	142	0	-84.5	177.6	-177.7	0	0	108.4
2	A	80.7	Confident	90.7	Very high	88 Å²	88	76.4 Å²	76.4	73%	0.727	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-62.2	137.3	169.3	0	0	0	0	0	109.2
3	R	89.4	Confident	91.3	Very high	62 Å²	62	75.9 Å²	75.9	23%	0.234	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-69.2	145.2	178.7	-72.3	-170.6	-56.7	-152.4	6.2	110.6	Q7 E8 F11 G25 F26 K67	R3-Q7 VanDerWaalsContact CA-OE1 3.25Å; R3-Q7 HydrophobicContact CB-CB 3.9Å; R3-Q7 HydrophobicContact CG-CB 4.28Å; R3-E8 HydrophobicContact CB-CG 4.15Å; R3-E8 WeakPolarHBondContact CB-OE1 3.22Å; R3-E8 IonicContact CZ-OE1 3.67Å; R3-E8 IonicContact CZ-OE2 2.79Å; R3-E8 IonicContact NE-OE1 2.77Å; R3-E8 PolarHBondContact NE-OE1 3.24Å; R3-E8 IonicContact NE-OE2 3.48Å; R3-E8 IonicContact NH2-OE1 2.93Å; R3-E8 PolarHBondContact NH2-OE1 3.03Å; R3-E8 VanDerWaalsContact NH2-OE1 3.11Å; R3-E8 IonicContact NH2-OE2 3.76Å; R3-E8 PolarHBondContact NH2-OE2 3.4Å; R3-F11 VanDerWaalsContact NH1-CZ 3.28Å; R3-G25 PolarHBondContact NH1-O 2.79Å; R3-F26 PolarHBondContact NH2-O 2.87Å; R3-K67 VanDerWaalsContact NH2-NZ 3.12Å
4	T	92.5	Very high	91.7	Very high	73 Å²	73	76.2 Å²	76.2	45%	0.448	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-69.7	162.8	170.8	69	0	0	0	0	110.7	D6 Q7 E8	T4-D6 VanDerWaalsContact C-N 3.29Å; T4-D6 PolarHBondContact O-N 3.32Å; T4-Q7 WeakPolarHBondContact O-CB 3.46Å; T4-Q7 PolarHBondContact O-N 3.35Å; T4-Q7 VanDerWaalsContact O-N 3.12Å; T4-Q7 VanDerWaalsContact OG1-CG 3.3Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.43Å; T4-Q7 PolarHBondContact OG1-N 3.26Å; T4-E8 WeakPolarHBondContact O-CG 3.49Å; T4-E8 PolarHBondContact O-N 3.12Å
5	Y	94.6	Very high	92	Very high	40 Å²	40	77 Å²	77	16%	0.157	41%	0.411	C	S	.	.	H	α-helix	trans	-54.3	-44.1	175.5	-178.5	-110.9	0	0	0	112.6	Q7 E8 L9 F47 L50 R51	Y5-Q7 VanDerWaalsContact C-N 3.31Å; Y5-Q7 PolarHBondContact O-N 3.4Å; Y5-E8 WeakPolarHBondContact O-CB 3.49Å; Y5-E8 PolarHBondContact O-N 3.39Å; Y5-E8 VanDerWaalsContact O-N 3.1Å; Y5-L9 HydrophobicContact CD1-CD1 3.98Å; Y5-L9 HydrophobicContact CD1-CG 4.27Å; Y5-L9 HydrophobicContact CE1-CD1 3.56Å; Y5-L9 HydrophobicContact CE1-CD2 4.25Å; Y5-L9 HydrophobicContact CE1-CG 3.98Å; Y5-L9 HydrophobicContact CE2-CD2 4.26Å; Y5-L9 HydrophobicContact CE2-CG 4.47Å; Y5-L9 WeakPolarHBondContact O-CG 3.47Å; Y5-L9 PolarHBondContact O-N 2.76Å; Y5-F47 WeakPolarHBondContact OH-CD1 3.43Å; Y5-L50 HydrophobicContact CD2-CG 4.4Å; Y5-L50 HydrophobicContact CE2-CB 4.49Å; Y5-L50 HydrophobicContact CE2-CD2 4.4Å; Y5-L50 HydrophobicContact CE2-CG 4.35Å; Y5-R51 HydrophobicContact CD2-CB 3.83Å; Y5-R51 HydrophobicContact CD2-CG 4.1Å; Y5-R51 HydrophobicContact CE2-CB 3.67Å; Y5-R51 HydrophobicContact CE2-CG 4.22Å; Y5-R51 HydrophobicContact CG-CB 4.5Å; Y5-R51 HydrophobicContact CG-CG 4.28Å; Y5-R51 PolarHBondContact OH-NH2 3.48Å
6	D	94.3	Very high	92.3	Very high	118 Å²	118	75.8 Å²	75.8	63%	0.631	41%	0.407	S	S	*	.	H	α-helix	trans	-66.1	-34.5	179.1	-57.9	-36.3	0	0	0	112.4	T4 E8 L9 A10	T4-D6 VanDerWaalsContact C-N 3.29Å; T4-D6 PolarHBondContact O-N 3.32Å; D6-E8 VanDerWaalsContact C-N 3.34Å; D6-L9 PolarHBondContact O-N 2.7Å; D6-A10 PolarHBondContact O-N 2.88Å
7	Q	95.1	Very high	92.5	Very high	97 Å²	97	77.4 Å²	77.4	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-68.4	-34.1	173.1	-72.3	173.1	-21.4	0	0	112.1	R3 T4 Y5 F11	R3-Q7 VanDerWaalsContact CA-OE1 3.25Å; R3-Q7 HydrophobicContact CB-CB 3.9Å; R3-Q7 HydrophobicContact CG-CB 4.28Å; T4-Q7 WeakPolarHBondContact O-CB 3.46Å; T4-Q7 PolarHBondContact O-N 3.35Å; T4-Q7 VanDerWaalsContact O-N 3.12Å; T4-Q7 VanDerWaalsContact OG1-CG 3.3Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.43Å; T4-Q7 PolarHBondContact OG1-N 3.26Å; Y5-Q7 VanDerWaalsContact C-N 3.31Å; Y5-Q7 PolarHBondContact O-N 3.4Å; Q7-F11 VanDerWaalsContact O-CD2 3.31Å; Q7-F11 WeakPolarHBondContact O-CD2 3.36Å; Q7-F11 WeakPolarHBondContact O-CE2 3.47Å
8	E	95.4	Very high	92.7	Very high	8 Å²	8	73.9 Å²	73.9	4%	0.037	40%	0.404	C	S	.	.	H	α-helix	trans	-67.1	-42.4	172.5	-66.6	-68.7	162.8	0	0	111.3	R3 T4 Y5 D6 A10 F11 F26 L50 T54 K67	R3-E8 HydrophobicContact CB-CG 4.15Å; R3-E8 WeakPolarHBondContact CB-OE1 3.22Å; R3-E8 IonicContact CZ-OE1 3.67Å; R3-E8 IonicContact CZ-OE2 2.79Å; R3-E8 IonicContact NE-OE1 2.77Å; R3-E8 PolarHBondContact NE-OE1 3.24Å; R3-E8 IonicContact NE-OE2 3.48Å; R3-E8 IonicContact NH2-OE1 2.93Å; R3-E8 PolarHBondContact NH2-OE1 3.03Å; R3-E8 VanDerWaalsContact NH2-OE1 3.11Å; R3-E8 IonicContact NH2-OE2 3.76Å; R3-E8 PolarHBondContact NH2-OE2 3.4Å; T4-E8 WeakPolarHBondContact O-CG 3.49Å; T4-E8 PolarHBondContact O-N 3.12Å; Y5-E8 WeakPolarHBondContact O-CB 3.49Å; Y5-E8 PolarHBondContact O-N 3.39Å; Y5-E8 VanDerWaalsContact O-N 3.1Å; D6-E8 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 2.98Å; E8-F11 PolarHBondContact O-N 3.11Å; E8-F11 VanDerWaalsContact O-N 3.17Å; E8-F26 HydrophobicContact CB-CE2 4.26Å; E8-F26 WeakPolarHBondContact OE2-CD2 3.46Å; E8-F26 WeakPolarHBondContact OE2-CE2 3.2Å; E8-L50 HydrophobicContact CB-CD1 4.45Å; E8-L50 HydrophobicContact CB-CD2 4.13Å; E8-L50 HydrophobicContact CB-CG 4.49Å; E8-L50 HydrophobicContact CG-CD1 4.42Å; E8-T54 HydrophobicContact CG-CG2 3.77Å; E8-K67 IonicContact OE1-NZ 3.08Å; E8-K67 PolarHBondContact OE1-NZ 3.06Å; E8-K67 VanDerWaalsContact OE2-CE 3.29Å; E8-K67 WeakPolarHBondContact OE2-CE 3.48Å; E8-K67 IonicContact OE2-NZ 3.77Å; E8-K67 PolarHBondContact OE2-NZ 2.9Å
9	L	96	Very high	93	Very high	53 Å²	53	70.6 Å²	70.6	28%	0.277	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-31.2	178.8	-72.3	-176.4	0	0	0	113.3	Y5 D6 F11 L12 F47	Y5-L9 HydrophobicContact CD1-CD1 3.98Å; Y5-L9 HydrophobicContact CD1-CG 4.27Å; Y5-L9 HydrophobicContact CE1-CD1 3.56Å; Y5-L9 HydrophobicContact CE1-CD2 4.25Å; Y5-L9 HydrophobicContact CE1-CG 3.98Å; Y5-L9 HydrophobicContact CE2-CD2 4.26Å; Y5-L9 HydrophobicContact CE2-CG 4.47Å; Y5-L9 WeakPolarHBondContact O-CG 3.47Å; Y5-L9 PolarHBondContact O-N 2.76Å; D6-L9 PolarHBondContact O-N 2.7Å; L9-F11 PolarHBondContact O-N 3.01Å; L9-L12 HydrophobicContact CD2-CD1 4.22Å; L9-L12 PolarHBondContact O-N 3.27Å; L9-F47 HydrophobicContact CD2-CD1 3.75Å; L9-F47 HydrophobicContact CD2-CE1 3.53Å
10	A	96.9	Very high	93.2	Very high	69 Å²	69	68.6 Å²	68.6	57%	0.57	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.4	178.9	0	0	0	0	0	113.9	D6 E8	D6-A10 PolarHBondContact O-N 2.88Å; E8-A10 PolarHBondContact O-N 2.98Å
11	F	97.6	Very high	93.5	Very high	52 Å²	52	67.2 Å²	67.2	23%	0.228	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.9	176.9	-66.9	-87.8	0	0	0	113.7	R3 Q7 E8 L9 K23 G25 F26	R3-F11 VanDerWaalsContact NH1-CZ 3.28Å; Q7-F11 VanDerWaalsContact O-CD2 3.31Å; Q7-F11 WeakPolarHBondContact O-CD2 3.36Å; Q7-F11 WeakPolarHBondContact O-CE2 3.47Å; E8-F11 PolarHBondContact O-N 3.11Å; E8-F11 VanDerWaalsContact O-N 3.17Å; L9-F11 PolarHBondContact O-N 3.01Å; F11-K23 HydrophobicContact CB-CB 4.45Å; F11-K23 HydrophobicContact CD1-CB 4.32Å; F11-K23 WeakPolarHBondContact O-CB 3.28Å; F11-K23 WeakPolarHBondContact O-CG 3.39Å; F11-K23 PolarHBondContact O-N 2.98Å; F11-G25 WeakPolarHBondContact CE1-O 3.36Å; F11-F26 HydrophobicContact CB-CB 3.95Å; F11-F26 HydrophobicContact CB-CD2 3.57Å; F11-F26 HydrophobicContact CB-CE2 4.49Å; F11-F26 HydrophobicContact CB-CG 4.2Å; F11-F26 HydrophobicContact CD1-CB 4.33Å; F11-F26 HydrophobicContact CD2-CD2 4.38Å; F11-F26 HydrophobicContact CG-CB 4.2Å; F11-F26 HydrophobicContact CG-CD2 4.09Å
12	L	97.8	Very high	95.4	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.7	-178.3	-55.4	-178.6	0	0	0	109.7	L9 W20 K21 I22 F26 F36 F47 L50 M66	L9-L12 HydrophobicContact CD2-CD1 4.22Å; L9-L12 PolarHBondContact O-N 3.27Å; L12-W20 HydrophobicContact CB-CE3 4.2Å; L12-W20 HydrophobicContact CB-CZ3 4.3Å; L12-K21 WeakPolarHBondContact CA-O 3.3Å; L12-I22 HydrophobicContact CD2-CB 4.39Å; L12-I22 HydrophobicContact CD2-CG1 3.86Å; L12-I22 HydrophobicContact CD2-CG2 4.38Å; L12-F26 HydrophobicContact CD2-CE2 4.2Å; L12-F26 HydrophobicContact CD2-CZ 4.43Å; L12-F36 HydrophobicContact CD2-CE1 4.39Å; L12-F47 HydrophobicContact CD1-CE1 3.79Å; L12-F47 HydrophobicContact CD1-CZ 4.07Å; L12-L50 HydrophobicContact CD1-CD2 3.89Å; L12-M66 HydrophobicContact CD1-CE 4.27Å; L12-M66 HydrophobicContact CD1-SD 3.67Å; L12-M66 HydrophobicContact CD2-SD 4.37Å
13	E	97.7	Very high	96.2	Very high	70 Å²	70	54.8 Å²	54.8	33%	0.327	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	123.6	-179.1	179.2	-171.3	137.2	0	0	110.1	I15 W20 K21 K23	E13-I15 PolarHBondContact O-N 3.45Å; E13-W20 VanDerWaalsContact C-CE3 3.45Å; E13-W20 CarbonylContact O-C 3.58Å; E13-W20 WeakPolarHBondContact O-CA 3.5Å; E13-K21 HydrophobicContact CB-CB 4.28Å; E13-K21 VanDerWaalsContact CD-CE 3.5Å; E13-K21 PolarHBondContact N-O 2.88Å; E13-K21 PolarHBondContact O-N 3.24Å; E13-K21 IonicContact OE1-NZ 3.15Å; E13-K21 PolarHBondContact OE1-NZ 2.87Å; E13-K21 WeakPolarHBondContact OE2-CE 3.27Å; E13-K21 IonicContact OE2-NZ 2.63Å; E13-K21 PolarHBondContact OE2-NZ 3.13Å; E13-K23 WeakPolarHBondContact OE2-CE 3.39Å; E13-K23 IonicContact OE2-NZ 2.75Å; E13-K23 PolarHBondContact OE2-NZ 3.31Å
14	K	97.3	Very high	96.6	Very high	80 Å²	80	57.2 Å²	57.2	35%	0.348	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	116.5	175.5	-163.6	166.7	-168.5	155.4	0	108.9	T16 W20 E43	K14-T16 VanDerWaalsContact CG-O 3.3Å; K14-T16 WeakPolarHBondContact CG-O 3.45Å; K14-W20 HydrophobicContact CB-CD2 3.85Å; K14-W20 HydrophobicContact CB-CE3 3.88Å; K14-W20 HydrophobicContact CB-CH2 3.85Å; K14-W20 HydrophobicContact CB-CZ2 3.82Å; K14-W20 HydrophobicContact CB-CZ3 3.87Å; K14-W20 HydrophobicContact CD-CH2 4.34Å; K14-W20 HydrophobicContact CD-CZ2 3.62Å; K14-W20 HydrophobicContact CG-CD2 4.09Å; K14-W20 HydrophobicContact CG-CH2 4.49Å; K14-W20 HydrophobicContact CG-CZ2 3.96Å; K14-W20 VanDerWaalsContact N-CE3 3.31Å; K14-E43 IonicContact NZ-OE2 3.11Å; K14-E43 PolarHBondContact NZ-OE2 3.41Å
15	I	96.5	Very high	96.7	Very high	88 Å²	88	55.5 Å²	55.5	45%	0.451	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-45.6	-179.8	-55.5	166.7	0	0	0	110	E13 C19 K21	E13-I15 PolarHBondContact O-N 3.45Å; I15-C19 PolarHBondContact N-O 2.79Å; I15-K21 HydrophobicContact CD1-CB 3.64Å; I15-K21 HydrophobicContact CD1-CD 4.22Å; I15-K21 HydrophobicContact CD1-CG 4.2Å; I15-K21 HydrophobicContact CG1-CB 3.89Å
16	T	95.9	Very high	96.8	Very high	58 Å²	58	53.6 Å²	53.6	36%	0.356	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	170.5	179.3	77.6	0	0	0	0	109.5	K14 T18 C19	K14-T16 VanDerWaalsContact CG-O 3.3Å; K14-T16 WeakPolarHBondContact CG-O 3.45Å; T16-T18 PolarHBondContact O-N 2.82Å; T16-T18 PolarHBondContact OG1-N 3.16Å; T16-C19 HydrophobicContact CG2-CB 4.42Å; T16-C19 PolarHBondContact N-O 2.95Å; T16-C19 VanDerWaalsContact N-O 3.15Å; T16-C19 PolarHBondContact O-N 3.17Å; T16-C19 VanDerWaalsContact OG1-CB 3.23Å; T16-C19 WeakPolarHBondContact OG1-CB 3.37Å; T16-C19 PolarHBondContact OG1-N 3.48Å; T16-C19 VanDerWaalsContact OG1-N 3.08Å
17	P	96.2	Very high	96.8	Very high	103 Å²	103	48.4 Å²	48.4	67%	0.669	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.5	174.7	-28.4	37.2	0	0	0	114.4
18	T	96.4	Very high	96.8	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.092	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	1.2	-178.1	55.6	0	0	0	0	114.7	T16 Y37 V38 T484 A487	T16-T18 PolarHBondContact O-N 2.82Å; T16-T18 PolarHBondContact OG1-N 3.16Å; T18-Y37 CarbonylContact O-C 3.39Å; T18-Y37 WeakPolarHBondContact O-CA 3.49Å; T18-V38 CarbonylContact C-O 3.58Å; T18-V38 VanDerWaalsContact CA-O 3.28Å; T18-V38 WeakPolarHBondContact CA-O 3.48Å; T18-V38 PolarHBondContact O-N 2.8Å; T18-T484 HydrophobicContact CG2-CG2 4.21Å; T18-A487 HydrophobicContact CG2-CB 3.79Å
19	C	97.7	Very high	96.8	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.9	-172.6	-173.8	0	0	0	0	112.3	I15 T16 Y37	I15-C19 PolarHBondContact N-O 2.79Å; T16-C19 HydrophobicContact CG2-CB 4.42Å; T16-C19 PolarHBondContact N-O 2.95Å; T16-C19 VanDerWaalsContact N-O 3.15Å; T16-C19 PolarHBondContact O-N 3.17Å; T16-C19 VanDerWaalsContact OG1-CB 3.23Å; T16-C19 WeakPolarHBondContact OG1-CB 3.37Å; T16-C19 PolarHBondContact OG1-N 3.48Å; T16-C19 VanDerWaalsContact OG1-N 3.08Å; C19-Y37 HydrophobicContact CB-CD1 3.92Å; C19-Y37 HydrophobicContact CB-CE1 3.89Å
20	W	98.2	Very high	96.8	Very high	31 Å²	31	50.9 Å²	50.9	12%	0.117	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.5	175.2	-75.1	84.9	0	0	0	110.8	L12 E13 K14 V35 F36 E43 F47	L12-W20 HydrophobicContact CB-CE3 4.2Å; L12-W20 HydrophobicContact CB-CZ3 4.3Å; E13-W20 VanDerWaalsContact C-CE3 3.45Å; E13-W20 CarbonylContact O-C 3.58Å; E13-W20 WeakPolarHBondContact O-CA 3.5Å; K14-W20 HydrophobicContact CB-CD2 3.85Å; K14-W20 HydrophobicContact CB-CE3 3.88Å; K14-W20 HydrophobicContact CB-CH2 3.85Å; K14-W20 HydrophobicContact CB-CZ2 3.82Å; K14-W20 HydrophobicContact CB-CZ3 3.87Å; K14-W20 HydrophobicContact CD-CH2 4.34Å; K14-W20 HydrophobicContact CD-CZ2 3.62Å; K14-W20 HydrophobicContact CG-CD2 4.09Å; K14-W20 HydrophobicContact CG-CH2 4.49Å; K14-W20 HydrophobicContact CG-CZ2 3.96Å; K14-W20 VanDerWaalsContact N-CE3 3.31Å; W20-V35 CarbonylContact O-C 3.47Å; W20-V35 WeakPolarHBondContact O-CA 3.37Å; W20-F36 HydrophobicContact CB-CD1 3.88Å; W20-F36 HydrophobicContact CB-CD2 4.06Å; W20-F36 HydrophobicContact CB-CE1 3.36Å; W20-F36 HydrophobicContact CB-CE2 3.56Å; W20-F36 HydrophobicContact CB-CG 4.2Å; W20-F36 HydrophobicContact CB-CZ 3.18Å; W20-F36 AromaticContact CD1-CE2 3.76Å; W20-F36 HydrophobicContact CD2-CZ 4.14Å; W20-F36 HydrophobicContact CG-CE1 4.2Å; W20-F36 AromaticContact CG-CE2 3.7Å; W20-F36 HydrophobicContact CG-CE2 3.7Å; W20-F36 AromaticContact CG-CZ 3.52Å; W20-F36 HydrophobicContact CG-CZ 3.52Å; W20-F36 PolarHBondContact N-O 2.88Å; W20-F36 PolarHBondContact O-N 3.14Å; W20-E43 VanDerWaalsContact CZ2-CD 3.48Å; W20-E43 HydrophobicContact CZ2-CG 4.35Å; W20-E43 WeakPolarHBondContact CZ2-OE1 3.22Å; W20-E43 WeakPolarHBondContact CZ2-OE2 3.46Å; W20-E43 PolarHBondContact NE1-OE2 3.1Å; W20-F47 HydrophobicContact CD2-CE2 4.35Å; W20-F47 HydrophobicContact CD2-CZ 4.07Å; W20-F47 AromaticContact CE2-CZ 3.98Å; W20-F47 AromaticContact CE3-CZ 3.97Å; W20-F47 HydrophobicContact CE3-CZ 3.97Å; W20-F47 HydrophobicContact CH2-CE1 4.45Å; W20-F47 AromaticContact CH2-CZ 3.73Å; W20-F47 HydrophobicContact CH2-CZ 3.73Å; W20-F47 HydrophobicContact CZ2-CE2 4.15Å; W20-F47 AromaticContact CZ2-CZ 3.81Å; W20-F47 HydrophobicContact CZ2-CZ 3.81Å; W20-F47 AromaticContact CZ3-CZ 3.81Å; W20-F47 HydrophobicContact CZ3-CZ 3.81Å
21	K	98.3	Very high	96.8	Very high	39 Å²	39	51.4 Å²	51.4	17%	0.17	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.1	172.2	-161.9	168	58.1	-168.9	0	110.7	L12 E13 I15 E33	L12-K21 WeakPolarHBondContact CA-O 3.3Å; E13-K21 HydrophobicContact CB-CB 4.28Å; E13-K21 VanDerWaalsContact CD-CE 3.5Å; E13-K21 PolarHBondContact N-O 2.88Å; E13-K21 PolarHBondContact O-N 3.24Å; E13-K21 IonicContact OE1-NZ 3.15Å; E13-K21 PolarHBondContact OE1-NZ 2.87Å; E13-K21 WeakPolarHBondContact OE2-CE 3.27Å; E13-K21 IonicContact OE2-NZ 2.63Å; E13-K21 PolarHBondContact OE2-NZ 3.13Å; I15-K21 HydrophobicContact CD1-CB 3.64Å; I15-K21 HydrophobicContact CD1-CD 4.22Å; I15-K21 HydrophobicContact CD1-CG 4.2Å; I15-K21 HydrophobicContact CG1-CB 3.89Å; K21-E33 WeakPolarHBondContact CD-OE2 3.43Å
22	I	98.4	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.7	166.4	-55.5	-178.6	0	0	0	107.4	L12 F26 M30 G34 F36 M66 I69	L12-I22 HydrophobicContact CD2-CB 4.39Å; L12-I22 HydrophobicContact CD2-CG1 3.86Å; L12-I22 HydrophobicContact CD2-CG2 4.38Å; I22-F26 HydrophobicContact CG2-CB 3.42Å; I22-F26 VanDerWaalsContact CG2-CB 3.42Å; I22-F26 HydrophobicContact CG2-CD1 3.34Å; I22-F26 HydrophobicContact CG2-CD2 4.37Å; I22-F26 HydrophobicContact CG2-CE1 4.14Å; I22-F26 HydrophobicContact CG2-CG 3.45Å; I22-F26 VanDerWaalsContact CG2-CG 3.45Å; I22-M30 HydrophobicContact CG2-CE 4.15Å; I22-G34 PolarHBondContact N-O 3.29Å; I22-G34 PolarHBondContact O-N 3.28Å; I22-F36 HydrophobicContact CD1-CD1 3.87Å; I22-F36 HydrophobicContact CD1-CE1 4.17Å; I22-F36 HydrophobicContact CG1-CD1 3.83Å; I22-F36 HydrophobicContact CG1-CE1 3.86Å; I22-M66 HydrophobicContact CD1-CB 4.33Å; I22-I69 HydrophobicContact CD1-CB 3.99Å; I22-I69 HydrophobicContact CD1-CD1 4.44Å; I22-I69 HydrophobicContact CD1-CG2 3.82Å
23	K	98.3	Very high	96.8	Very high	69 Å²	69	52.9 Å²	52.9	30%	0.3	28%	0.283	S	S	.	.			trans	-66.8	150.2	-177.9	-66.1	175	-177	174.2	0	111.5	F11 E13 F26	F11-K23 HydrophobicContact CB-CB 4.45Å; F11-K23 HydrophobicContact CD1-CB 4.32Å; F11-K23 WeakPolarHBondContact O-CB 3.28Å; F11-K23 WeakPolarHBondContact O-CG 3.39Å; F11-K23 PolarHBondContact O-N 2.98Å; E13-K23 WeakPolarHBondContact OE2-CE 3.39Å; E13-K23 IonicContact OE2-NZ 2.75Å; E13-K23 PolarHBondContact OE2-NZ 3.31Å; K23-F26 VanDerWaalsContact O-CB 3.32Å; K23-F26 WeakPolarHBondContact O-CB 3.46Å; K23-F26 PolarHBondContact O-N 2.91Å; K23-F26 VanDerWaalsContact O-N 3.12Å
24	K	97.2	Very high	96.8	Very high	114 Å²	114	49.5 Å²	49.5	50%	0.496	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	141.5	169.4	-73	-173.1	174.2	-174.1	0	110.9	F26 M30 N31 E33	K24-F26 VanDerWaalsContact C-N 3.35Å; K24-M30 HydrophobicContact CB-CB 4.49Å; K24-M30 HydrophobicContact CG-CB 4.21Å; K24-N31 WeakPolarHBondContact CE-O 3.28Å; K24-N31 PolarHBondContact NZ-O 3.25Å; K24-E33 HydrophobicContact CG-CG 4.07Å
25	G	95.1	Very high	96.9	Very high	37 Å²	37	46.1 Å²	46.1	38%	0.381	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-3.7	-172.9	0	0	0	0	0	114	R3 F11 V27	R3-G25 PolarHBondContact NH1-O 2.79Å; F11-G25 WeakPolarHBondContact CE1-O 3.36Å; G25-V27 PolarHBondContact O-N 2.85Å
26	F	96.6	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-62.4	-29.5	168.5	-174.6	-114.8	0	0	0	112.4	R3 E8 F11 L12 I22 K23 K24 M30 L50 M66 K67	R3-F26 PolarHBondContact NH2-O 2.87Å; E8-F26 HydrophobicContact CB-CE2 4.26Å; E8-F26 WeakPolarHBondContact OE2-CD2 3.46Å; E8-F26 WeakPolarHBondContact OE2-CE2 3.2Å; F11-F26 HydrophobicContact CB-CB 3.95Å; F11-F26 HydrophobicContact CB-CD2 3.57Å; F11-F26 HydrophobicContact CB-CE2 4.49Å; F11-F26 HydrophobicContact CB-CG 4.2Å; F11-F26 HydrophobicContact CD1-CB 4.33Å; F11-F26 HydrophobicContact CD2-CD2 4.38Å; F11-F26 HydrophobicContact CG-CB 4.2Å; F11-F26 HydrophobicContact CG-CD2 4.09Å; L12-F26 HydrophobicContact CD2-CE2 4.2Å; L12-F26 HydrophobicContact CD2-CZ 4.43Å; I22-F26 HydrophobicContact CG2-CB 3.42Å; I22-F26 VanDerWaalsContact CG2-CB 3.42Å; I22-F26 HydrophobicContact CG2-CD1 3.34Å; I22-F26 HydrophobicContact CG2-CD2 4.37Å; I22-F26 HydrophobicContact CG2-CE1 4.14Å; I22-F26 HydrophobicContact CG2-CG 3.45Å; I22-F26 VanDerWaalsContact CG2-CG 3.45Å; K23-F26 VanDerWaalsContact O-CB 3.32Å; K23-F26 WeakPolarHBondContact O-CB 3.46Å; K23-F26 PolarHBondContact O-N 2.91Å; K23-F26 VanDerWaalsContact O-N 3.12Å; K24-F26 VanDerWaalsContact C-N 3.35Å; F26-M30 HydrophobicContact CB-SD 3.87Å; F26-L50 HydrophobicContact CZ-CD1 4.12Å; F26-L50 HydrophobicContact CZ-CD2 4.36Å; F26-M66 HydrophobicContact CE1-CB 4.15Å; F26-M66 HydrophobicContact CZ-CB 4.25Å; F26-K67 HydrophobicContact CD1-CD 4.34Å; F26-K67 HydrophobicContact CE1-CD 3.68Å; F26-K67 HydrophobicContact CE1-CG 4.16Å; F26-K67 HydrophobicContact CZ-CD 3.96Å; F26-K67 HydrophobicContact CZ-CG 4.39Å; F26-K67 PolarHBondContact O-NZ 3.21Å
27	V	95.3	Very high	97.1	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	22%	0.217	C	C	.	.	S	Bend	trans	-136.2	163.2	161.5	-60.8	0	0	0	0	107.9	G25 M30 K67 G70 N71 N289	G25-V27 PolarHBondContact O-N 2.85Å; V27-M30 HydrophobicContact CG2-CG 3.53Å; V27-M30 HydrophobicContact CG2-SD 3.88Å; V27-K67 HydrophobicContact CG1-CD 3.85Å; V27-G70 WeakPolarHBondContact CG2-O 3.3Å; V27-N71 WeakPolarHBondContact CG1-OD1 3.35Å; V27-N289 WeakPolarHBondContact CG2-ND2 3.01Å
28	P	94.4	Very high	97.1	Very high	86 Å²	86	34.7 Å²	34.7	56%	0.558	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	150.9	175.3	-23.9	35.2	0	0	0	111.9	M30 N289	P28-M30 VanDerWaalsContact C-N 3.28Å; P28-M30 PolarHBondContact O-N 3.07Å; P28-M30 VanDerWaalsContact O-N 3.15Å; P28-N289 PolarHBondContact O-ND2 3.26Å
29	N	94.1	Very high	97.1	Very high	106 Å²	106	35.1 Å²	35.1	57%	0.567	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	20.8	166.6	-50.7	-30.4	0	0	0	116.8	N31 A74	N29-N31 PolarHBondContact O-N 2.73Å; N29-N31 VanDerWaalsContact O-N 3.11Å; N29-A74 HydrophobicContact CB-CB 4.36Å; N29-A74 VanDerWaalsContact O-CA 3.31Å; N29-A74 WeakPolarHBondContact O-CA 3.48Å; N29-A74 VanDerWaalsContact O-CB 3.32Å; N29-A74 WeakPolarHBondContact O-CB 3.44Å
30	M	97.6	Very high	96.9	Very high	17 Å²	17	40.3 Å²	40.3	8%	0.084	21%	0.214	C	C	.	.			trans	-59.6	114.9	175.3	-71.5	178	71.4	0	0	112	I22 K24 F26 V27 P28 V32 A73	I22-M30 HydrophobicContact CG2-CE 4.15Å; K24-M30 HydrophobicContact CB-CB 4.49Å; K24-M30 HydrophobicContact CG-CB 4.21Å; F26-M30 HydrophobicContact CB-SD 3.87Å; V27-M30 HydrophobicContact CG2-CG 3.53Å; V27-M30 HydrophobicContact CG2-SD 3.88Å; P28-M30 VanDerWaalsContact C-N 3.28Å; P28-M30 PolarHBondContact O-N 3.07Å; P28-M30 VanDerWaalsContact O-N 3.15Å; M30-V32 WeakPolarHBondContact CE-O 3.41Å; M30-A73 HydrophobicContact CE-CB 3.83Å; M30-A73 HydrophobicContact CG-CB 4.39Å
31	N	97	Very high	96.6	Very high	80 Å²	80	46 Å²	46	43%	0.428	24%	0.239	S	C	.	.	S	Bend	trans	-77.4	-33.2	176.2	-68.9	-58.2	0	0	0	111.8	K24 N29 A73 A74 L75 I78	K24-N31 WeakPolarHBondContact CE-O 3.28Å; K24-N31 PolarHBondContact NZ-O 3.25Å; N29-N31 PolarHBondContact O-N 2.73Å; N29-N31 VanDerWaalsContact O-N 3.11Å; N31-A73 PolarHBondContact N-O 2.86Å; N31-A74 PolarHBondContact ND2-O 3Å; N31-L75 PolarHBondContact ND2-O 2.96Å; N31-I78 HydrophobicContact CB-CG2 3.97Å
32	V	97.3	Very high	96.4	Very high	19 Å²	19	44.3 Å²	44.3	12%	0.115	23%	0.232	C	C	.	.	S	Bend	trans	-130.8	171.3	177.2	-63.2	0	0	0	0	110.5	M30 A73 I78 H80	M30-V32 WeakPolarHBondContact CE-O 3.41Å; V32-A73 HydrophobicContact CG2-CB 3.91Å; V32-A73 PolarHBondContact N-O 3.48Å; V32-I78 HydrophobicContact CB-CG2 4.4Å; V32-I78 HydrophobicContact CG1-CG2 4.03Å; V32-I78 HydrophobicContact CG2-CB 4.48Å; V32-I78 HydrophobicContact CG2-CD1 3.92Å; V32-I78 HydrophobicContact CG2-CG1 4.13Å; V32-I78 HydrophobicContact CG2-CG2 3.57Å; V32-H80 WeakPolarHBondContact CB-O 3.3Å
33	E	98	Very high	96.2	Very high	79 Å²	79	46.2 Å²	46.2	37%	0.369	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	159.8	169.1	-66.2	-175.3	135.1	0	0	110.8	K21 K24 R81 S82	K21-E33 WeakPolarHBondContact CD-OE2 3.43Å; K24-E33 HydrophobicContact CG-CG 4.07Å; E33-R81 VanDerWaalsContact O-CA 3.24Å; E33-R81 WeakPolarHBondContact O-CA 3.43Å; E33-R81 WeakPolarHBondContact O-CB 3.25Å; E33-S82 PolarHBondContact O-N 3.21Å
34	G	98.2	Very high	96	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	157.3	168	0	0	0	0	0	110.8	I22 S82	I22-G34 PolarHBondContact N-O 3.29Å; I22-G34 PolarHBondContact O-N 3.28Å; G34-S82 CarbonylContact C-O 3.47Å; G34-S82 VanDerWaalsContact CA-O 3.28Å; G34-S82 WeakPolarHBondContact CA-O 3.43Å
35	V	98.1	Very high	95.8	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.6	164.3	-57.6	0	0	0	0	110	W20 Y37 S82 V83 G84	W20-V35 CarbonylContact O-C 3.47Å; W20-V35 WeakPolarHBondContact O-CA 3.37Å; V35-Y37 HydrophobicContact CG2-CE2 4.34Å; V35-S82 PolarHBondContact N-O 3.47Å; V35-V83 HydrophobicContact CG2-CB 4.13Å; V35-V83 HydrophobicContact CG2-CG1 4.01Å; V35-V83 HydrophobicContact CG2-CG2 3.8Å; V35-V83 CarbonylContact O-C 3.37Å; V35-V83 WeakPolarHBondContact O-CA 3.2Å; V35-G84 PolarHBondContact O-N 2.99Å
36	F	98.1	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.2	167.8	62	-83	0	0	0	111.9	L12 W20 I22 V38 M46 F47 M66 I69 G84	L12-F36 HydrophobicContact CD2-CE1 4.39Å; W20-F36 HydrophobicContact CB-CD1 3.88Å; W20-F36 HydrophobicContact CB-CD2 4.06Å; W20-F36 HydrophobicContact CB-CE1 3.36Å; W20-F36 HydrophobicContact CB-CE2 3.56Å; W20-F36 HydrophobicContact CB-CG 4.2Å; W20-F36 HydrophobicContact CB-CZ 3.18Å; W20-F36 AromaticContact CD1-CE2 3.76Å; W20-F36 HydrophobicContact CD2-CZ 4.14Å; W20-F36 HydrophobicContact CG-CE1 4.2Å; W20-F36 AromaticContact CG-CE2 3.7Å; W20-F36 HydrophobicContact CG-CE2 3.7Å; W20-F36 AromaticContact CG-CZ 3.52Å; W20-F36 HydrophobicContact CG-CZ 3.52Å; W20-F36 PolarHBondContact N-O 2.88Å; W20-F36 PolarHBondContact O-N 3.14Å; I22-F36 HydrophobicContact CD1-CD1 3.87Å; I22-F36 HydrophobicContact CD1-CE1 4.17Å; I22-F36 HydrophobicContact CG1-CD1 3.83Å; I22-F36 HydrophobicContact CG1-CE1 3.86Å; F36-V38 HydrophobicContact CD2-CG1 4.1Å; F36-V38 HydrophobicContact CD2-CG2 3.82Å; F36-V38 HydrophobicContact CE2-CG2 3.7Å; F36-M46 HydrophobicContact CD2-CE 4.31Å; F36-M46 HydrophobicContact CG-CE 4.48Å; F36-F47 HydrophobicContact CE2-CE2 4.26Å; F36-F47 HydrophobicContact CZ-CE2 4.1Å; F36-F47 HydrophobicContact CZ-CZ 4.43Å; F36-M66 HydrophobicContact CE1-CE 4.08Å; F36-M66 HydrophobicContact CE1-CG 4.4Å; F36-M66 HydrophobicContact CE1-SD 4.26Å; F36-M66 HydrophobicContact CE2-CE 3.74Å; F36-M66 HydrophobicContact CZ-CE 3.37Å; F36-M66 HydrophobicContact CZ-SD 4.12Å; F36-I69 HydrophobicContact CB-CD1 3.88Å; F36-G84 CarbonylContact C-O 3.49Å; F36-G84 WeakPolarHBondContact CA-O 3.42Å
37	Y	98.2	Very high	95.7	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.4	-179.3	-66	-84.8	0	0	0	110.6	T18 C19 V35 V83 G84 P86 T422 A488	T18-Y37 CarbonylContact O-C 3.39Å; T18-Y37 WeakPolarHBondContact O-CA 3.49Å; C19-Y37 HydrophobicContact CB-CD1 3.92Å; C19-Y37 HydrophobicContact CB-CE1 3.89Å; V35-Y37 HydrophobicContact CG2-CE2 4.34Å; Y37-V83 HydrophobicContact CD2-CG1 4.1Å; Y37-V83 HydrophobicContact CE2-CG1 3.74Å; Y37-G84 PolarHBondContact N-O 3.39Å; Y37-P86 WeakPolarHBondContact O-CA 3.34Å; Y37-T422 HydrophobicContact CE2-CG2 3.76Å; Y37-A488 HydrophobicContact CD1-CB 3.7Å; Y37-A488 HydrophobicContact CE1-CB 3.87Å
38	V	97.1	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.			trans	-152.7	141	176.9	-74.4	0	0	0	0	110.7	T18 F36 L42 E43 M46	T18-V38 CarbonylContact C-O 3.58Å; T18-V38 VanDerWaalsContact CA-O 3.28Å; T18-V38 WeakPolarHBondContact CA-O 3.48Å; T18-V38 PolarHBondContact O-N 2.8Å; F36-V38 HydrophobicContact CD2-CG1 4.1Å; F36-V38 HydrophobicContact CD2-CG2 3.82Å; F36-V38 HydrophobicContact CE2-CG2 3.7Å; V38-L42 HydrophobicContact CB-CB 3.88Å; V38-L42 HydrophobicContact CG1-CB 3.8Å; V38-E43 HydrophobicContact CB-CB 4.4Å; V38-E43 HydrophobicContact CG2-CB 3.94Å; V38-E43 HydrophobicContact CG2-CG 4.26Å; V38-M46 HydrophobicContact CG1-CG 3.98Å
39	N	95.3	Very high	95.4	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.128	23%	0.225	C	C	.	.			trans	-81.6	179.2	162.3	73.7	11.1	0	0	0	111	F41 L42 E43 D480 T484	N39-F41 PolarHBondContact O-N 3.06Å; N39-F41 WeakPolarHBondContact OD1-CB 3.31Å; N39-F41 PolarHBondContact OD1-N 2.81Å; N39-L42 PolarHBondContact O-N 2.6Å; N39-L42 WeakPolarHBondContact OD1-CG 3.13Å; N39-L42 PolarHBondContact OD1-N 3.39Å; N39-E43 VanDerWaalsContact O-CB 3.25Å; N39-E43 WeakPolarHBondContact O-CB 3.25Å; N39-E43 PolarHBondContact O-N 3.25Å; N39-D480 PolarHBondContact ND2-OD1 3.04Å; N39-T484 WeakPolarHBondContact CB-OG1 3.2Å; N39-T484 PolarHBondContact N-OG1 3.43Å
40	N	93.8	Very high	95.4	Very high	119 Å²	119	40.8 Å²	40.8	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-58.8	-30.7	-178.5	-66.4	-18.8	0	0	0	113.9
41	F	92.1	Very high	95.2	Very high	149 Å²	149	43.7 Å²	43.7	65%	0.654	21%	0.208	S	C	*	.	H	α-helix	trans	-74.9	-45.4	178.6	-60.6	-72.6	0	0	0	111.5	N39 D480	N39-F41 PolarHBondContact O-N 3.06Å; N39-F41 WeakPolarHBondContact OD1-CB 3.31Å; N39-F41 PolarHBondContact OD1-N 2.81Å; F41-D480 WeakPolarHBondContact CD2-OD1 3.13Å
42	L	94.9	Very high	94.9	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-29.7	180	-62.4	176.9	0	0	0	112.4	V38 N39 K44 L45 M46 P86 K476 D480 V481	V38-L42 HydrophobicContact CB-CB 3.88Å; V38-L42 HydrophobicContact CG1-CB 3.8Å; N39-L42 PolarHBondContact O-N 2.6Å; N39-L42 WeakPolarHBondContact OD1-CG 3.13Å; N39-L42 PolarHBondContact OD1-N 3.39Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.33Å; L42-L45 HydrophobicContact CD2-CD1 4.32Å; L42-L45 PolarHBondContact O-N 3.02Å; L42-M46 PolarHBondContact O-N 2.84Å; L42-P86 HydrophobicContact CD1-CB 3.76Å; L42-K476 HydrophobicContact CD2-CB 4.09Å; L42-K476 HydrophobicContact CD2-CD 3.97Å; L42-K476 HydrophobicContact CD2-CG 4.27Å; L42-D480 HydrophobicContact CD1-CB 4.42Å; L42-D480 HydrophobicContact CD2-CB 4.45Å; L42-D480 HydrophobicContact CG-CB 4.31Å; L42-V481 HydrophobicContact CD1-CG2 4.1Å; L42-V481 HydrophobicContact CD2-CG2 4.44Å
43	E	94.8	Very high	94.6	Very high	40 Å²	40	44.7 Å²	44.7	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-47.5	175.9	-171	178.7	126.9	0	0	110.3	K14 W20 V38 N39 L45 M46 F47	K14-E43 IonicContact NZ-OE2 3.11Å; K14-E43 PolarHBondContact NZ-OE2 3.41Å; W20-E43 VanDerWaalsContact CZ2-CD 3.48Å; W20-E43 HydrophobicContact CZ2-CG 4.35Å; W20-E43 WeakPolarHBondContact CZ2-OE1 3.22Å; W20-E43 WeakPolarHBondContact CZ2-OE2 3.46Å; W20-E43 PolarHBondContact NE1-OE2 3.1Å; V38-E43 HydrophobicContact CB-CB 4.4Å; V38-E43 HydrophobicContact CG2-CB 3.94Å; V38-E43 HydrophobicContact CG2-CG 4.26Å; N39-E43 VanDerWaalsContact O-CB 3.25Å; N39-E43 WeakPolarHBondContact O-CB 3.25Å; N39-E43 PolarHBondContact O-N 3.25Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.86Å; E43-M46 PolarHBondContact O-N 3.32Å; E43-M46 VanDerWaalsContact O-N 3.12Å; E43-F47 HydrophobicContact CG-CD2 3.6Å; E43-F47 HydrophobicContact CG-CE2 3.47Å; E43-F47 VanDerWaalsContact CG-CE2 3.47Å; E43-F47 HydrophobicContact CG-CZ 4.49Å; E43-F47 VanDerWaalsContact O-CD2 3.24Å; E43-F47 WeakPolarHBondContact O-CD2 3.39Å; E43-F47 PolarHBondContact O-N 3.18Å
44	K	93.4	Very high	94.2	Very high	142 Å²	142	42.5 Å²	42.5	62%	0.617	20%	0.204	S	C	*	.	H	α-helix	trans	-54	-43.2	179.4	-175	179	177.4	-175.7	0	112.7	L42 F47 D48	L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.33Å; K44-F47 PolarHBondContact O-N 3.26Å; K44-D48 VanDerWaalsContact O-CB 3.24Å; K44-D48 WeakPolarHBondContact O-CB 3.33Å; K44-D48 PolarHBondContact O-N 3.11Å
45	L	92.2	Very high	93.7	Very high	62 Å²	62	51.6 Å²	51.6	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-46.2	-179.7	-63.5	174.3	0	0	0	111.6	L42 E43 D48 E49 K476	L42-L45 HydrophobicContact CD2-CD1 4.32Å; L42-L45 PolarHBondContact O-N 3.02Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.86Å; L45-D48 PolarHBondContact O-N 2.72Å; L45-E49 PolarHBondContact O-N 3.24Å; L45-E49 VanDerWaalsContact O-N 3.08Å; L45-K476 HydrophobicContact CD1-CD 4.35Å; L45-K476 HydrophobicContact CD1-CG 3.83Å
46	M	94.2	Very high	92.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-42.8	-178.9	-70.8	-66.4	-76.9	0	0	112.2	F36 V38 L42 E43 L50 M66 V88	F36-M46 HydrophobicContact CD2-CE 4.31Å; F36-M46 HydrophobicContact CG-CE 4.48Å; V38-M46 HydrophobicContact CG1-CG 3.98Å; L42-M46 PolarHBondContact O-N 2.84Å; E43-M46 PolarHBondContact O-N 3.32Å; E43-M46 VanDerWaalsContact O-N 3.12Å; M46-L50 PolarHBondContact O-N 3.31Å; M46-M66 HydrophobicContact CB-CE 3.51Å; M46-M66 HydrophobicContact CE-CG 3.6Å; M46-V88 HydrophobicContact CE-CG1 3.49Å; M46-V88 VanDerWaalsContact CE-CG1 3.49Å; M46-V88 HydrophobicContact SD-CG1 3.65Å
47	F	95.4	Very high	91.9	Very high	15 Å²	15	55.4 Å²	55.4	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-74.7	-31.9	-179.7	-78.8	-101.5	0	0	0	112.2	Y5 L9 L12 W20 F36 E43 K44 L50 R51 M66	Y5-F47 WeakPolarHBondContact OH-CD1 3.43Å; L9-F47 HydrophobicContact CD2-CD1 3.75Å; L9-F47 HydrophobicContact CD2-CE1 3.53Å; L12-F47 HydrophobicContact CD1-CE1 3.79Å; L12-F47 HydrophobicContact CD1-CZ 4.07Å; W20-F47 HydrophobicContact CD2-CE2 4.35Å; W20-F47 HydrophobicContact CD2-CZ 4.07Å; W20-F47 AromaticContact CE2-CZ 3.98Å; W20-F47 AromaticContact CE3-CZ 3.97Å; W20-F47 HydrophobicContact CE3-CZ 3.97Å; W20-F47 HydrophobicContact CH2-CE1 4.45Å; W20-F47 AromaticContact CH2-CZ 3.73Å; W20-F47 HydrophobicContact CH2-CZ 3.73Å; W20-F47 HydrophobicContact CZ2-CE2 4.15Å; W20-F47 AromaticContact CZ2-CZ 3.81Å; W20-F47 HydrophobicContact CZ2-CZ 3.81Å; W20-F47 AromaticContact CZ3-CZ 3.81Å; W20-F47 HydrophobicContact CZ3-CZ 3.81Å; F36-F47 HydrophobicContact CE2-CE2 4.26Å; F36-F47 HydrophobicContact CZ-CE2 4.1Å; F36-F47 HydrophobicContact CZ-CZ 4.43Å; E43-F47 HydrophobicContact CG-CD2 3.6Å; E43-F47 HydrophobicContact CG-CE2 3.47Å; E43-F47 VanDerWaalsContact CG-CE2 3.47Å; E43-F47 HydrophobicContact CG-CZ 4.49Å; E43-F47 VanDerWaalsContact O-CD2 3.24Å; E43-F47 WeakPolarHBondContact O-CD2 3.39Å; E43-F47 PolarHBondContact O-N 3.18Å; K44-F47 PolarHBondContact O-N 3.26Å; F47-L50 PolarHBondContact O-N 2.65Å; F47-R51 WeakPolarHBondContact O-CB 3.44Å; F47-R51 PolarHBondContact O-N 2.98Å; F47-M66 HydrophobicContact CD1-CE 4.35Å; F47-M66 HydrophobicContact CD2-CE 3.45Å; F47-M66 VanDerWaalsContact CD2-CE 3.45Å; F47-M66 HydrophobicContact CE1-CE 4.39Å; F47-M66 HydrophobicContact CE2-CE 3.51Å; F47-M66 HydrophobicContact CG-CE 3.93Å; F47-M66 HydrophobicContact CZ-CE 4.01Å
48	D	92.5	Very high	90.5	Very high	46 Å²	46	60.4 Å²	60.4	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-38.7	173.3	-76.5	-16.4	0	0	0	111.6	K44 L45 R51 N52	K44-D48 VanDerWaalsContact O-CB 3.24Å; K44-D48 WeakPolarHBondContact O-CB 3.33Å; K44-D48 PolarHBondContact O-N 3.11Å; L45-D48 PolarHBondContact O-N 2.72Å; D48-R51 PolarHBondContact O-N 2.96Å; D48-R51 IonicContact OD1-CZ 2.73Å; D48-R51 IonicContact OD1-NH1 3.26Å; D48-R51 PolarHBondContact OD1-NH1 2.57Å; D48-R51 IonicContact OD1-NH2 2.74Å; D48-N52 WeakPolarHBondContact O-CB 3.38Å; D48-N52 PolarHBondContact O-N 2.8Å; D48-N52 PolarHBondContact O-ND2 3.18Å; D48-N52 VanDerWaalsContact O-ND2 3.08Å
49	E	91.6	Very high	88.9	Confident	40 Å²	40	70.2 Å²	70.2	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-48.6	171.6	-74.5	-172.7	175.1	0	0	111.7	L45 N52 F53 F62 P64 G65	L45-E49 PolarHBondContact O-N 3.24Å; L45-E49 VanDerWaalsContact O-N 3.08Å; E49-N52 PolarHBondContact O-N 2.83Å; E49-F53 PolarHBondContact O-N 3.27Å; E49-F62 HydrophobicContact CB-CE1 4.42Å; E49-F62 HydrophobicContact CB-CZ 4.47Å; E49-F62 HydrophobicContact CG-CE1 4.49Å; E49-F62 HydrophobicContact CG-CZ 4.1Å; E49-P64 HydrophobicContact CB-CB 4.06Å; E49-G65 PolarHBondContact OE2-N 3.18Å; E49-G65 VanDerWaalsContact OE2-N 3.12Å
50	L	93.8	Very high	87.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-44.2	178.7	-177.3	62.6	0	0	0	111.6	Y5 E8 L12 F26 M46 F47 N52 F53 T54 M66 K67	Y5-L50 HydrophobicContact CD2-CG 4.4Å; Y5-L50 HydrophobicContact CE2-CB 4.49Å; Y5-L50 HydrophobicContact CE2-CD2 4.4Å; Y5-L50 HydrophobicContact CE2-CG 4.35Å; E8-L50 HydrophobicContact CB-CD1 4.45Å; E8-L50 HydrophobicContact CB-CD2 4.13Å; E8-L50 HydrophobicContact CB-CG 4.49Å; E8-L50 HydrophobicContact CG-CD1 4.42Å; L12-L50 HydrophobicContact CD1-CD2 3.89Å; F26-L50 HydrophobicContact CZ-CD1 4.12Å; F26-L50 HydrophobicContact CZ-CD2 4.36Å; M46-L50 PolarHBondContact O-N 3.31Å; F47-L50 PolarHBondContact O-N 2.65Å; L50-N52 PolarHBondContact O-N 2.97Å; L50-F53 PolarHBondContact O-N 3.01Å; L50-T54 WeakPolarHBondContact O-CG2 3.3Å; L50-T54 PolarHBondContact O-N 2.86Å; L50-T54 PolarHBondContact O-OG1 2.96Å; L50-M66 HydrophobicContact CB-SD 4.4Å; L50-M66 HydrophobicContact CD2-SD 3.83Å; L50-K67 HydrophobicContact CD1-CG 4.38Å
51	R	94	Very high	86.9	Confident	79 Å²	79	69.5 Å²	69.5	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-45.9	177.4	-168.5	-175.1	-60.1	131.7	10.1	111.3	Y5 F47 D48 F53 T54 R55	Y5-R51 HydrophobicContact CD2-CB 3.83Å; Y5-R51 HydrophobicContact CD2-CG 4.1Å; Y5-R51 HydrophobicContact CE2-CB 3.67Å; Y5-R51 HydrophobicContact CE2-CG 4.22Å; Y5-R51 HydrophobicContact CG-CB 4.5Å; Y5-R51 HydrophobicContact CG-CG 4.28Å; Y5-R51 PolarHBondContact OH-NH2 3.48Å; F47-R51 WeakPolarHBondContact O-CB 3.44Å; F47-R51 PolarHBondContact O-N 2.98Å; D48-R51 PolarHBondContact O-N 2.96Å; D48-R51 IonicContact OD1-CZ 2.73Å; D48-R51 IonicContact OD1-NH1 3.26Å; D48-R51 PolarHBondContact OD1-NH1 2.57Å; D48-R51 IonicContact OD1-NH2 2.74Å; R51-F53 PolarHBondContact O-N 3.15Å; R51-T54 PolarHBondContact O-N 3.5Å; R51-T54 PolarHBondContact O-OG1 3.24Å; R51-R55 PolarHBondContact O-N 2.91Å
52	N	89.7	Confident	86.5	Confident	89 Å²	89	66.7 Å²	66.7	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-44.2	178.9	-71.1	-28.8	0	0	0	111.4	D48 E49 L50 T54 R55 S56	D48-N52 WeakPolarHBondContact O-CB 3.38Å; D48-N52 PolarHBondContact O-N 2.8Å; D48-N52 PolarHBondContact O-ND2 3.18Å; D48-N52 VanDerWaalsContact O-ND2 3.08Å; E49-N52 PolarHBondContact O-N 2.83Å; L50-N52 PolarHBondContact O-N 2.97Å; N52-T54 PolarHBondContact O-N 2.79Å; N52-R55 WeakPolarHBondContact O-CB 3.43Å; N52-R55 PolarHBondContact O-N 3.33Å; N52-R55 VanDerWaalsContact O-N 3.08Å; N52-S56 PolarHBondContact O-N 2.73Å; N52-S56 PolarHBondContact O-OG 2.93Å; N52-S56 VanDerWaalsContact O-OG 3.12Å
53	F	90.9	Very high	86.4	Confident	31 Å²	31	67.5 Å²	67.5	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-42.2	176	175.1	-99.6	0	0	0	112.8	E49 L50 R51 R55 S56 G57 D58 F62 L63 P64 K67	E49-F53 PolarHBondContact O-N 3.27Å; L50-F53 PolarHBondContact O-N 3.01Å; R51-F53 PolarHBondContact O-N 3.15Å; F53-R55 PolarHBondContact O-N 2.88Å; F53-S56 PolarHBondContact O-N 2.89Å; F53-S56 PolarHBondContact O-OG 2.79Å; F53-G57 WeakPolarHBondContact CD2-O 3.39Å; F53-G57 CarbonylContact O-C 3.57Å; F53-G57 WeakPolarHBondContact O-CA 3.42Å; F53-G57 PolarHBondContact O-N 2.96Å; F53-D58 HydrophobicContact CE2-CB 4.46Å; F53-F62 WeakPolarHBondContact CD2-O 3.43Å; F53-L63 HydrophobicContact CE2-CD1 3.87Å; F53-L63 HydrophobicContact CZ-CD1 3.91Å; F53-P64 HydrophobicContact CB-CG 3.3Å; F53-P64 HydrophobicContact CD1-CG 4.21Å; F53-P64 HydrophobicContact CD2-CG 4.2Å; F53-P64 HydrophobicContact CG-CG 3.66Å; F53-K67 HydrophobicContact CE1-CG 4.49Å
54	T	90.4	Very high	86.3	Confident	33 Å²	33	65.6 Å²	65.6	20%	0.202	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-20.2	177.4	58.6	0	0	0	0	113.9	E8 L50 R51 N52	E8-T54 HydrophobicContact CG-CG2 3.77Å; L50-T54 WeakPolarHBondContact O-CG2 3.3Å; L50-T54 PolarHBondContact O-N 2.86Å; L50-T54 PolarHBondContact O-OG1 2.96Å; R51-T54 PolarHBondContact O-N 3.5Å; R51-T54 PolarHBondContact O-OG1 3.24Å; N52-T54 PolarHBondContact O-N 2.79Å
55	R	87.3	Confident	86.4	Confident	191 Å²	191	58.9 Å²	58.9	72%	0.721	31%	0.314	S	S	*	.	H	α-helix	trans	-84.6	-42.6	175.1	-69.1	174.3	175.6	-179.5	-3.6	112.4	R51 N52 F53	R51-R55 PolarHBondContact O-N 2.91Å; N52-R55 WeakPolarHBondContact O-CB 3.43Å; N52-R55 PolarHBondContact O-N 3.33Å; N52-R55 VanDerWaalsContact O-N 3.08Å; F53-R55 PolarHBondContact O-N 2.88Å
56	S	82.5	Confident	86.6	Confident	65 Å²	65	55.9 Å²	55.9	46%	0.455	30%	0.299	S	S	.	.	H	α-helix	trans	-82.6	-18.2	179.3	56	0	0	0	0	113.3	N52 F53 Y59	N52-S56 PolarHBondContact O-N 2.73Å; N52-S56 PolarHBondContact O-OG 2.93Å; N52-S56 VanDerWaalsContact O-OG 3.12Å; F53-S56 PolarHBondContact O-N 2.89Å; F53-S56 PolarHBondContact O-OG 2.79Å; S56-Y59 VanDerWaalsContact O-CB 3.26Å; S56-Y59 WeakPolarHBondContact O-CB 3.35Å
57	G	75.5	Confident	86.7	Confident	22 Å²	22	56.6 Å²	56.6	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	-151	-160.2	0	0	0	0	0	110.9	F53 Y59	F53-G57 WeakPolarHBondContact CD2-O 3.39Å; F53-G57 CarbonylContact O-C 3.57Å; F53-G57 WeakPolarHBondContact O-CA 3.42Å; F53-G57 PolarHBondContact O-N 2.96Å; G57-Y59 PolarHBondContact O-N 2.73Å
58	D	69.2	Low	86.8	Confident	116 Å²	116	56 Å²	56	62%	0.62	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	14.1	176.8	-161	24.1	0	0	0	113.3	F53 G60 G61	F53-D58 HydrophobicContact CE2-CB 4.46Å; D58-G60 PolarHBondContact O-N 3.27Å; D58-G61 PolarHBondContact O-N 3.33Å
59	Y	64.1	Low	87.1	Confident	205 Å²	205	53.8 Å²	53.8	80%	0.804	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	119.3	179.4	-171.7	-95	0	0	0	110.7	S56 G57	S56-Y59 VanDerWaalsContact O-CB 3.26Å; S56-Y59 WeakPolarHBondContact O-CB 3.35Å; G57-Y59 PolarHBondContact O-N 2.73Å
60	G	67.9	Low	87.4	Confident	74 Å²	74	51.9 Å²	51.9	76%	0.763	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	0.1	-179.5	0	0	0	0	0	115.1	D58 F62	D58-G60 PolarHBondContact O-N 3.27Å; G60-F62 PolarHBondContact O-N 2.9Å
61	G	77.9	Confident	87.5	Confident	54 Å²	54	52.4 Å²	52.4	56%	0.557	28%	0.281	S	S	*	.	S	Bend	trans	66.6	18.1	173.7	0	0	0	0	0	115	D58	D58-G61 PolarHBondContact O-N 3.33Å
62	F	85.6	Confident	87.8	Confident	91 Å²	91	48.7 Å²	48.7	40%	0.399	27%	0.267	S	S	.	.			trans	-83.9	121.7	172.2	174.1	-94.8	0	0	0	109.7	E49 F53 G60 P64 S90	E49-F62 HydrophobicContact CB-CE1 4.42Å; E49-F62 HydrophobicContact CB-CZ 4.47Å; E49-F62 HydrophobicContact CG-CE1 4.49Å; E49-F62 HydrophobicContact CG-CZ 4.1Å; F53-F62 WeakPolarHBondContact CD2-O 3.43Å; G60-F62 PolarHBondContact O-N 2.9Å; F62-P64 HydrophobicContact CE1-CG 4.25Å; F62-S90 VanDerWaalsContact CE2-CB 3.48Å
63	L	91.4	Very high	88.2	Confident	21 Å²	21	44.4 Å²	44.4	11%	0.11	25%	0.245	C	C	.	.			trans	-111.9	123	176.4	-164.5	66.4	0	0	0	110.2	F53 K67 Q68 N71 S90	F53-L63 HydrophobicContact CE2-CD1 3.87Å; F53-L63 HydrophobicContact CZ-CD1 3.91Å; L63-K67 HydrophobicContact CD1-CB 3.61Å; L63-K67 HydrophobicContact CD1-CG 4.12Å; L63-K67 HydrophobicContact CD2-CB 4.14Å; L63-K67 HydrophobicContact CG-CB 3.64Å; L63-Q68 HydrophobicContact CB-CG 4.17Å; L63-Q68 HydrophobicContact CD2-CG 3.68Å; L63-Q68 HydrophobicContact CG-CG 4.01Å; L63-N71 VanDerWaalsContact CD2-ND2 3.26Å; L63-N71 WeakPolarHBondContact CD2-ND2 3.36Å; L63-S90 WeakPolarHBondContact O-CB 3.29Å; L63-S90 PolarHBondContact O-OG 3.45Å
64	P	93.8	Very high	88.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.			trans	-56.6	149.5	178.6	-27.3	34.6	0	0	0	112.7	E49 F53 F62 M66 K67 Q68	E49-P64 HydrophobicContact CB-CB 4.06Å; F53-P64 HydrophobicContact CB-CG 3.3Å; F53-P64 HydrophobicContact CD1-CG 4.21Å; F53-P64 HydrophobicContact CD2-CG 4.2Å; F53-P64 HydrophobicContact CG-CG 3.66Å; F62-P64 HydrophobicContact CE1-CG 4.25Å; P64-M66 PolarHBondContact O-N 2.89Å; P64-M66 VanDerWaalsContact O-N 3.14Å; P64-K67 HydrophobicContact CB-CG 4.48Å; P64-K67 HydrophobicContact CG-CG 4.41Å; P64-K67 WeakPolarHBondContact O-CB 3.02Å; P64-K67 PolarHBondContact O-N 2.83Å; P64-Q68 PolarHBondContact O-N 3.18Å; P64-Q68 VanDerWaalsContact O-N 3.1Å
65	G	95	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-52.4	-40.4	177.7	0	0	0	0	0	112.8	E49 K67 Q68 I69	E49-G65 PolarHBondContact OE2-N 3.18Å; E49-G65 VanDerWaalsContact OE2-N 3.12Å; G65-K67 VanDerWaalsContact C-N 3.35Å; G65-K67 PolarHBondContact O-N 3.32Å; G65-Q68 PolarHBondContact O-N 3.44Å; G65-I69 VanDerWaalsContact O-CG1 3.31Å; G65-I69 WeakPolarHBondContact O-CG1 3.33Å; G65-I69 PolarHBondContact O-N 2.92Å
66	M	96.1	Very high	89.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-41.6	176	-63.9	-169.8	-177.8	0	0	113.3	L12 I22 F26 F36 M46 F47 L50 P64 I69 G70	L12-M66 HydrophobicContact CD1-CE 4.27Å; L12-M66 HydrophobicContact CD1-SD 3.67Å; L12-M66 HydrophobicContact CD2-SD 4.37Å; I22-M66 HydrophobicContact CD1-CB 4.33Å; F26-M66 HydrophobicContact CE1-CB 4.15Å; F26-M66 HydrophobicContact CZ-CB 4.25Å; F36-M66 HydrophobicContact CE1-CE 4.08Å; F36-M66 HydrophobicContact CE1-CG 4.4Å; F36-M66 HydrophobicContact CE1-SD 4.26Å; F36-M66 HydrophobicContact CE2-CE 3.74Å; F36-M66 HydrophobicContact CZ-CE 3.37Å; F36-M66 HydrophobicContact CZ-SD 4.12Å; M46-M66 HydrophobicContact CB-CE 3.51Å; M46-M66 HydrophobicContact CE-CG 3.6Å; F47-M66 HydrophobicContact CD1-CE 4.35Å; F47-M66 HydrophobicContact CD2-CE 3.45Å; F47-M66 VanDerWaalsContact CD2-CE 3.45Å; F47-M66 HydrophobicContact CE1-CE 4.39Å; F47-M66 HydrophobicContact CE2-CE 3.51Å; F47-M66 HydrophobicContact CG-CE 3.93Å; F47-M66 HydrophobicContact CZ-CE 4.01Å; L50-M66 HydrophobicContact CB-SD 4.4Å; L50-M66 HydrophobicContact CD2-SD 3.83Å; P64-M66 PolarHBondContact O-N 2.89Å; P64-M66 VanDerWaalsContact O-N 3.14Å; M66-I69 PolarHBondContact O-N 2.73Å; M66-G70 PolarHBondContact O-N 2.79Å; M66-G70 VanDerWaalsContact O-N 3.11Å
67	K	95.9	Very high	89.9	Confident	16 Å²	16	31.9 Å²	31.9	7%	0.07	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-37.7	179.4	-75.9	-71.3	-176.9	-177.4	0	111.1	R3 E8 F26 V27 L50 F53 L63 P64 G65 G70 N71	R3-K67 VanDerWaalsContact NH2-NZ 3.12Å; E8-K67 IonicContact OE1-NZ 3.08Å; E8-K67 PolarHBondContact OE1-NZ 3.06Å; E8-K67 VanDerWaalsContact OE2-CE 3.29Å; E8-K67 WeakPolarHBondContact OE2-CE 3.48Å; E8-K67 IonicContact OE2-NZ 3.77Å; E8-K67 PolarHBondContact OE2-NZ 2.9Å; F26-K67 HydrophobicContact CD1-CD 4.34Å; F26-K67 HydrophobicContact CE1-CD 3.68Å; F26-K67 HydrophobicContact CE1-CG 4.16Å; F26-K67 HydrophobicContact CZ-CD 3.96Å; F26-K67 HydrophobicContact CZ-CG 4.39Å; F26-K67 PolarHBondContact O-NZ 3.21Å; V27-K67 HydrophobicContact CG1-CD 3.85Å; L50-K67 HydrophobicContact CD1-CG 4.38Å; F53-K67 HydrophobicContact CE1-CG 4.49Å; L63-K67 HydrophobicContact CD1-CB 3.61Å; L63-K67 HydrophobicContact CD1-CG 4.12Å; L63-K67 HydrophobicContact CD2-CB 4.14Å; L63-K67 HydrophobicContact CG-CB 3.64Å; P64-K67 HydrophobicContact CB-CG 4.48Å; P64-K67 HydrophobicContact CG-CG 4.41Å; P64-K67 WeakPolarHBondContact O-CB 3.02Å; P64-K67 PolarHBondContact O-N 2.83Å; G65-K67 VanDerWaalsContact C-N 3.35Å; G65-K67 PolarHBondContact O-N 3.32Å; K67-G70 PolarHBondContact O-N 2.87Å; K67-N71 PolarHBondContact O-N 3.13Å
68	Q	97.4	Very high	91	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-43.2	174.3	-70.6	-176.5	-30.7	0	0	112.1	L63 P64 G65 G70 N71 V72 G91 A95	L63-Q68 HydrophobicContact CB-CG 4.17Å; L63-Q68 HydrophobicContact CD2-CG 3.68Å; L63-Q68 HydrophobicContact CG-CG 4.01Å; P64-Q68 PolarHBondContact O-N 3.18Å; P64-Q68 VanDerWaalsContact O-N 3.1Å; G65-Q68 PolarHBondContact O-N 3.44Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 2.87Å; Q68-N71 PolarHBondContact O-N 3.36Å; Q68-N71 VanDerWaalsContact O-N 3.12Å; Q68-V72 WeakPolarHBondContact O-CG2 3.29Å; Q68-V72 PolarHBondContact O-N 2.65Å; Q68-G91 PolarHBondContact NE2-O 2.92Å; Q68-A95 HydrophobicContact CB-CB 3.98Å
69	I	98.3	Very high	92.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.6	-45.1	173.5	-64.8	165.4	0	0	0	110.4	I22 F36 G65 M66 V72 A73 S82 V88	I22-I69 HydrophobicContact CD1-CB 3.99Å; I22-I69 HydrophobicContact CD1-CD1 4.44Å; I22-I69 HydrophobicContact CD1-CG2 3.82Å; F36-I69 HydrophobicContact CB-CD1 3.88Å; G65-I69 VanDerWaalsContact O-CG1 3.31Å; G65-I69 WeakPolarHBondContact O-CG1 3.33Å; G65-I69 PolarHBondContact O-N 2.92Å; M66-I69 PolarHBondContact O-N 2.73Å; I69-V72 PolarHBondContact O-N 3.47Å; I69-A73 PolarHBondContact O-N 3.01Å; I69-S82 WeakPolarHBondContact CG2-OG 3.39Å; I69-S82 VanDerWaalsContact O-CB 3.28Å; I69-S82 WeakPolarHBondContact O-CB 3.46Å; I69-S82 PolarHBondContact O-OG 3.47Å; I69-V88 HydrophobicContact CD1-CG2 4.22Å
70	G	97.9	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-44.1	174.8	0	0	0	0	0	113.1	V27 M66 K67 Q68 V72 A73 A74	V27-G70 WeakPolarHBondContact CG2-O 3.3Å; M66-G70 PolarHBondContact O-N 2.79Å; M66-G70 VanDerWaalsContact O-N 3.11Å; K67-G70 PolarHBondContact O-N 2.87Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 2.87Å; G70-V72 VanDerWaalsContact C-N 3.33Å; G70-V72 PolarHBondContact O-N 3.2Å; G70-A73 WeakPolarHBondContact O-CA 3.41Å; G70-A73 WeakPolarHBondContact O-CB 3.4Å; G70-A73 PolarHBondContact O-N 2.92Å; G70-A73 VanDerWaalsContact O-N 3.14Å; G70-A74 PolarHBondContact O-N 2.81Å
71	N	97.7	Very high	95.1	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.064	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-37.2	179	-72.5	-13.3	0	0	0	112	V27 L63 K67 Q68 A73 A74 N289 L293	V27-N71 WeakPolarHBondContact CG1-OD1 3.35Å; L63-N71 VanDerWaalsContact CD2-ND2 3.26Å; L63-N71 WeakPolarHBondContact CD2-ND2 3.36Å; K67-N71 PolarHBondContact O-N 3.13Å; Q68-N71 PolarHBondContact O-N 3.36Å; Q68-N71 VanDerWaalsContact O-N 3.12Å; N71-A73 VanDerWaalsContact C-N 3.3Å; N71-A74 WeakPolarHBondContact O-CB 3.47Å; N71-A74 PolarHBondContact O-N 2.81Å; N71-A74 VanDerWaalsContact O-N 3.11Å; N71-N289 HydrophobicContact CB-CB 4.28Å; N71-N289 VanDerWaalsContact OD1-CB 3.25Å; N71-N289 WeakPolarHBondContact OD1-CB 3.38Å; N71-N289 PolarHBondContact OD1-ND2 3.44Å; N71-L293 HydrophobicContact CB-CD1 3.56Å
72	V	98.4	Very high	96	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-38.1	172.3	170.3	0	0	0	0	111	Q68 I69 G70 A74 L75 I78 S82 F94 N98 A100 L293	Q68-V72 WeakPolarHBondContact O-CG2 3.29Å; Q68-V72 PolarHBondContact O-N 2.65Å; I69-V72 PolarHBondContact O-N 3.47Å; G70-V72 VanDerWaalsContact C-N 3.33Å; G70-V72 PolarHBondContact O-N 3.2Å; V72-A74 PolarHBondContact O-N 2.83Å; V72-A74 VanDerWaalsContact O-N 3.13Å; V72-L75 HydrophobicContact CG1-CD1 4.41Å; V72-L75 WeakPolarHBondContact O-CB 3.46Å; V72-L75 PolarHBondContact O-N 3.29Å; V72-I78 HydrophobicContact CG1-CD1 4.08Å; V72-I78 WeakPolarHBondContact O-CD1 3.08Å; V72-S82 WeakPolarHBondContact CB-OG 3.35Å; V72-S82 WeakPolarHBondContact CG1-OG 3.25Å; V72-F94 HydrophobicContact CB-CD1 4.4Å; V72-F94 HydrophobicContact CB-CE1 4.2Å; V72-F94 HydrophobicContact CB-CZ 4.33Å; V72-F94 HydrophobicContact CG1-CD1 3.95Å; V72-F94 HydrophobicContact CG1-CE1 3.38Å; V72-F94 HydrophobicContact CG1-CE2 4.43Å; V72-F94 HydrophobicContact CG1-CZ 3.65Å; V72-F94 HydrophobicContact CG2-CB 4.23Å; V72-F94 HydrophobicContact CG2-CD1 3.53Å; V72-F94 HydrophobicContact CG2-CD2 3.59Å; V72-F94 HydrophobicContact CG2-CE1 3.68Å; V72-F94 HydrophobicContact CG2-CE2 3.73Å; V72-F94 HydrophobicContact CG2-CG 3.47Å; V72-F94 VanDerWaalsContact CG2-CG 3.47Å; V72-F94 HydrophobicContact CG2-CZ 3.77Å; V72-N98 WeakPolarHBondContact CG2-OD1 3.26Å; V72-A100 HydrophobicContact CG1-CB 3.63Å; V72-L293 HydrophobicContact CG2-CD2 3.95Å
73	A	98.3	Very high	96.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.6	-14.9	173.9	0	0	0	0	0	114	M30 N31 V32 I69 G70 N71	M30-A73 HydrophobicContact CE-CB 3.83Å; M30-A73 HydrophobicContact CG-CB 4.39Å; N31-A73 PolarHBondContact N-O 2.86Å; V32-A73 HydrophobicContact CG2-CB 3.91Å; V32-A73 PolarHBondContact N-O 3.48Å; I69-A73 PolarHBondContact O-N 3.01Å; G70-A73 WeakPolarHBondContact O-CA 3.41Å; G70-A73 WeakPolarHBondContact O-CB 3.4Å; G70-A73 PolarHBondContact O-N 2.92Å; G70-A73 VanDerWaalsContact O-N 3.14Å; N71-A73 VanDerWaalsContact C-N 3.3Å
74	A	97.9	Very high	97	Very high	12 Å²	12	11 Å²	11	10%	0.099	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.6	174.1	0	0	0	0	0	113.9	N29 N31 G70 N71 V72	N29-A74 HydrophobicContact CB-CB 4.36Å; N29-A74 VanDerWaalsContact O-CA 3.31Å; N29-A74 WeakPolarHBondContact O-CA 3.48Å; N29-A74 VanDerWaalsContact O-CB 3.32Å; N29-A74 WeakPolarHBondContact O-CB 3.44Å; N31-A74 PolarHBondContact ND2-O 3Å; G70-A74 PolarHBondContact O-N 2.81Å; N71-A74 WeakPolarHBondContact O-CB 3.47Å; N71-A74 PolarHBondContact O-N 2.81Å; N71-A74 VanDerWaalsContact O-N 3.11Å; V72-A74 PolarHBondContact O-N 2.83Å; V72-A74 VanDerWaalsContact O-N 3.13Å
75	L	97.7	Very high	97.2	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.059	C	C	.	.	S	Bend	trans	-68.7	142.4	-179.8	-72.4	173.5	0	0	0	112.1	N31 V72 G77 I78 F94 F102 V110 V288 L293	N31-L75 PolarHBondContact ND2-O 2.96Å; V72-L75 HydrophobicContact CG1-CD1 4.41Å; V72-L75 WeakPolarHBondContact O-CB 3.46Å; V72-L75 PolarHBondContact O-N 3.29Å; L75-G77 PolarHBondContact O-N 2.92Å; L75-I78 VanDerWaalsContact O-CG2 3.26Å; L75-I78 WeakPolarHBondContact O-CG2 3.43Å; L75-I78 PolarHBondContact O-N 3.41Å; L75-F94 HydrophobicContact CD1-CE2 3.62Å; L75-F94 HydrophobicContact CD1-CZ 3.59Å; L75-F102 HydrophobicContact CB-CE1 3.69Å; L75-F102 HydrophobicContact CB-CZ 3.96Å; L75-F102 HydrophobicContact CD1-CE1 4.32Å; L75-F102 HydrophobicContact CD1-CZ 3.76Å; L75-V110 HydrophobicContact CB-CG2 4.2Å; L75-V110 HydrophobicContact CD2-CG2 4.44Å; L75-V288 HydrophobicContact CD2-CG1 3.86Å; L75-L293 HydrophobicContact CD1-CD2 4.43Å; L75-L293 HydrophobicContact CD2-CB 4.33Å; L75-L293 HydrophobicContact CD2-CD1 4.48Å
76	P	96	Very high	97.3	Very high	30 Å²	30	11 Å²	11	20%	0.195	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	135	179.2	-22.8	34.2	0	0	0	112.6	I78 F102 K108 V110 I286	P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 2.94Å; P76-F102 WeakPolarHBondContact O-CD1 3.37Å; P76-K108 HydrophobicContact CB-CB 4.31Å; P76-K108 WeakPolarHBondContact CB-O 3.36Å; P76-V110 HydrophobicContact CB-CG1 4.3Å; P76-V110 HydrophobicContact CG-CG1 4.38Å; P76-I286 HydrophobicContact CG-CG2 4.22Å
77	G	95.7	Very high	97.3	Very high	13 Å²	13	11 Å²	11	13%	0.134	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	6.1	175.4	0	0	0	0	0	115.7	L75 D103 S109	L75-G77 PolarHBondContact O-N 2.92Å; G77-D103 PolarHBondContact O-N 2.95Å; G77-S109 PolarHBondContact O-OG 3.38Å
78	I	97.7	Very high	97.3	Very high	13 Å²	13	10.2 Å²	10.2	7%	0.067	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	141.2	170.9	-168.5	173.2	0	0	0	110.6	N31 V32 V72 L75 P76 A100 A101 F102	N31-I78 HydrophobicContact CB-CG2 3.97Å; V32-I78 HydrophobicContact CB-CG2 4.4Å; V32-I78 HydrophobicContact CG1-CG2 4.03Å; V32-I78 HydrophobicContact CG2-CB 4.48Å; V32-I78 HydrophobicContact CG2-CD1 3.92Å; V32-I78 HydrophobicContact CG2-CG1 4.13Å; V32-I78 HydrophobicContact CG2-CG2 3.57Å; V72-I78 HydrophobicContact CG1-CD1 4.08Å; V72-I78 WeakPolarHBondContact O-CD1 3.08Å; L75-I78 VanDerWaalsContact O-CG2 3.26Å; L75-I78 WeakPolarHBondContact O-CG2 3.43Å; L75-I78 PolarHBondContact O-N 3.41Å; P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 2.94Å; I78-A100 HydrophobicContact CD1-CB 3.82Å; I78-A100 HydrophobicContact CG1-CB 4.33Å; I78-A101 WeakPolarHBondContact CA-O 3.46Å; I78-F102 HydrophobicContact CB-CD1 4.12Å; I78-F102 HydrophobicContact CB-CE1 3.71Å; I78-F102 HydrophobicContact CB-CZ 4.3Å; I78-F102 HydrophobicContact CG1-CE1 4.3Å; I78-F102 HydrophobicContact CG1-CZ 4.44Å
79	V	96.1	Very high	97.2	Very high	14 Å²	14	11 Å²	11	9%	0.085	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.1	-175.2	-177.8	0	0	0	0	110.5	R81 A101 D103 V363 L370 F423	V79-R81 VanDerWaalsContact C-N 3.27Å; V79-R81 PolarHBondContact O-N 3.09Å; V79-A101 PolarHBondContact N-O 3.5Å; V79-D103 HydrophobicContact CG2-CB 3.7Å; V79-V363 HydrophobicContact CG1-CB 4.29Å; V79-V363 HydrophobicContact CG1-CG1 3.43Å; V79-V363 VanDerWaalsContact CG1-CG1 3.43Å; V79-V363 HydrophobicContact CG1-CG2 3.93Å; V79-L370 HydrophobicContact CG2-CD2 4.04Å; V79-F423 HydrophobicContact CG1-CZ 4.36Å
80	H	94.8	Very high	97	Very high	86 Å²	86	12.4 Å²	12.4	40%	0.398	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.9	-70.9	174.6	-161	42.3	0	0	0	114.6	V32 F423	V32-H80 WeakPolarHBondContact CB-O 3.3Å; H80-F423 HydrophobicContact CB-CE2 4.13Å; H80-F423 HydrophobicContact CB-CZ 3.56Å
81	R	96.7	Very high	96.8	Very high	32 Å²	32	13.2 Å²	13.2	12%	0.121	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	155.2	-174.7	49.2	-176.4	168.7	-138.8	-20.3	112.8	E33 V79 V83 T420 E421	E33-R81 VanDerWaalsContact O-CA 3.24Å; E33-R81 WeakPolarHBondContact O-CA 3.43Å; E33-R81 WeakPolarHBondContact O-CB 3.25Å; V79-R81 VanDerWaalsContact C-N 3.27Å; V79-R81 PolarHBondContact O-N 3.09Å; R81-V83 HydrophobicContact CG-CG2 3.71Å; R81-T420 PolarHBondContact NH2-O 3.29Å; R81-T420 VanDerWaalsContact NH2-O 3.08Å; R81-E421 IonicContact CZ-OE2 3.63Å; R81-E421 PolarHBondContact NE-O 3.46Å; R81-E421 IonicContact NH1-OE2 3.21Å; R81-E421 PolarHBondContact NH1-OE2 3.11Å; R81-E421 PolarHBondContact NH2-O 2.97Å; R81-E421 IonicContact NH2-OE2 3.79Å; R81-E421 PolarHBondContact NH2-OE2 3.01Å
82	S	98.2	Very high	96.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.6	161.7	180	0	0	0	0	109.2	E33 G34 V35 I69 V72 N98	E33-S82 PolarHBondContact O-N 3.21Å; G34-S82 CarbonylContact C-O 3.47Å; G34-S82 VanDerWaalsContact CA-O 3.28Å; G34-S82 WeakPolarHBondContact CA-O 3.43Å; V35-S82 PolarHBondContact N-O 3.47Å; I69-S82 WeakPolarHBondContact CG2-OG 3.39Å; I69-S82 VanDerWaalsContact O-CB 3.28Å; I69-S82 WeakPolarHBondContact O-CB 3.46Å; I69-S82 PolarHBondContact O-OG 3.47Å; V72-S82 WeakPolarHBondContact CB-OG 3.35Å; V72-S82 WeakPolarHBondContact CG1-OG 3.25Å; S82-N98 PolarHBondContact OG-ND2 2.93Å; S82-N98 VanDerWaalsContact OG-ND2 3.17Å
83	V	98.5	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.6	-171.1	179.6	0	0	0	0	111	V35 Y37 R81 N98 M99 T422	V35-V83 HydrophobicContact CG2-CB 4.13Å; V35-V83 HydrophobicContact CG2-CG1 4.01Å; V35-V83 HydrophobicContact CG2-CG2 3.8Å; V35-V83 CarbonylContact O-C 3.37Å; V35-V83 WeakPolarHBondContact O-CA 3.2Å; Y37-V83 HydrophobicContact CD2-CG1 4.1Å; Y37-V83 HydrophobicContact CE2-CG1 3.74Å; R81-V83 HydrophobicContact CG-CG2 3.71Å; V83-N98 VanDerWaalsContact O-CA 3.28Å; V83-N98 WeakPolarHBondContact O-CA 3.45Å; V83-N98 PolarHBondContact O-ND2 2.78Å; V83-M99 HydrophobicContact CB-CG 3.78Å; V83-M99 HydrophobicContact CB-SD 4Å; V83-M99 HydrophobicContact CG1-CG 4.23Å; V83-M99 HydrophobicContact CG1-SD 4.2Å; V83-M99 HydrophobicContact CG2-SD 4.42Å; V83-M99 PolarHBondContact N-O 3.02Å; V83-M99 PolarHBondContact O-N 2.8Å; V83-T422 HydrophobicContact CG1-CG2 4.02Å
84	G	98.2	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.7	166	0	0	0	0	0	111.9	V35 F36 Y37	V35-G84 PolarHBondContact O-N 2.99Å; F36-G84 CarbonylContact C-O 3.49Å; F36-G84 WeakPolarHBondContact CA-O 3.42Å; Y37-G84 PolarHBondContact N-O 3.39Å
85	L	98.1	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	169.7	176.5	-69.5	157	0	0	0	111.3	D87 V88 G97 M99 T426 I490	L85-D87 WeakPolarHBondContact CB-OD1 3.42Å; L85-D87 PolarHBondContact O-N 2.83Å; L85-D87 VanDerWaalsContact O-N 3.11Å; L85-V88 WeakPolarHBondContact O-CA 3.38Å; L85-V88 WeakPolarHBondContact O-CB 3.42Å; L85-V88 WeakPolarHBondContact O-CG1 3.36Å; L85-V88 PolarHBondContact O-N 2.98Å; L85-G97 WeakPolarHBondContact CB-O 3.32Å; L85-G97 PolarHBondContact N-O 3.09Å; L85-M99 HydrophobicContact CD1-CG 4.41Å; L85-T426 VanDerWaalsContact CD1-C 3.45Å; L85-T426 WeakPolarHBondContact CD1-O 3.4Å; L85-I490 HydrophobicContact CD2-CD1 3.55Å
86	P	97.4	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-22.1	-169.7	-22.2	34.2	0	0	0	115.7	Y37 L42 V88 K476 V481 T484	Y37-P86 WeakPolarHBondContact O-CA 3.34Å; L42-P86 HydrophobicContact CD1-CB 3.76Å; P86-V88 PolarHBondContact O-N 2.87Å; P86-K476 PolarHBondContact O-NZ 3.28Å; P86-V481 HydrophobicContact CB-CB 4.39Å; P86-V481 HydrophobicContact CB-CG1 3.99Å; P86-T484 HydrophobicContact CB-CG2 3.86Å; P86-T484 HydrophobicContact CG-CG2 3.49Å; P86-T484 VanDerWaalsContact CG-CG2 3.49Å
87	D	96.4	Very high	96.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	4.7	172.1	53.5	0.5	0	0	0	113.6	L85 H89 C427 H428 G429 K476 V481	L85-D87 WeakPolarHBondContact CB-OD1 3.42Å; L85-D87 PolarHBondContact O-N 2.83Å; L85-D87 VanDerWaalsContact O-N 3.11Å; D87-H89 PolarHBondContact O-N 3.44Å; D87-H89 PolarHBondContact O-ND1 2.87Å; D87-C427 WeakPolarHBondContact OD2-CB 3.14Å; D87-H428 IonicContact OD2-CE1 3.42Å; D87-H428 PolarHBondContact OD2-CE1 2.88Å; D87-H428 IonicContact OD2-CG 3.47Å; D87-H428 PolarHBondContact OD2-N 2.85Å; D87-H428 IonicContact OD2-ND1 3.66Å; D87-H428 PolarHBondContact OD2-ND1 3.2Å; D87-G429 VanDerWaalsContact CB-O 3.29Å; D87-G429 WeakPolarHBondContact CB-O 3.45Å; D87-G429 PolarHBondContact OD2-N 3.43Å; D87-K476 PolarHBondContact O-NZ 3.03Å; D87-V481 HydrophobicContact CB-CG1 4Å; D87-V481 HydrophobicContact CB-CG2 4.36Å
88	V	96.5	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	130.9	-173.3	69.5	0	0	0	0	114.5	M46 I69 L85 P86 A95 I96 K476	M46-V88 HydrophobicContact CE-CG1 3.49Å; M46-V88 VanDerWaalsContact CE-CG1 3.49Å; M46-V88 HydrophobicContact SD-CG1 3.65Å; I69-V88 HydrophobicContact CD1-CG2 4.22Å; L85-V88 WeakPolarHBondContact O-CA 3.38Å; L85-V88 WeakPolarHBondContact O-CB 3.42Å; L85-V88 WeakPolarHBondContact O-CG1 3.36Å; L85-V88 PolarHBondContact O-N 2.98Å; P86-V88 PolarHBondContact O-N 2.87Å; V88-A95 HydrophobicContact CG2-CB 3.62Å; V88-I96 CarbonylContact C-O 3.54Å; V88-I96 WeakPolarHBondContact CA-O 3.39Å; V88-I96 WeakPolarHBondContact CG2-O 3.19Å; V88-K476 PolarHBondContact O-NZ 2.84Å
89	H	94.4	Very high	96.5	Very high	18 Å²	18	15 Å²	15	8%	0.083	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.8	176.9	58.2	-76.1	0	0	0	110.7	D87 G91 A95 I96 R432	D87-H89 PolarHBondContact O-N 3.44Å; D87-H89 PolarHBondContact O-ND1 2.87Å; H89-G91 PolarHBondContact O-N 3.4Å; H89-A95 CarbonylContact O-C 3.51Å; H89-A95 WeakPolarHBondContact O-CA 3.46Å; H89-A95 WeakPolarHBondContact O-CB 3.47Å; H89-I96 VanDerWaalsContact CE1-CB 3.49Å; H89-I96 WeakPolarHBondContact CE1-CB 3.23Å; H89-I96 WeakPolarHBondContact CE1-CG2 3.26Å; H89-I96 PolarHBondContact N-O 2.76Å; H89-I96 WeakPolarHBondContact NE2-CD1 3.38Å; H89-I96 PolarHBondContact O-N 2.9Å; H89-R432 PolarHBondContact CE1-N 2.87Å
90	S	93.6	Very high	96.6	Very high	30 Å²	30	14.3 Å²	14.3	21%	0.21	7%	0.072	C	C	.	.			trans	-52.6	131.2	-176	-171.1	0	0	0	0	112.8	F62 L63	F62-S90 VanDerWaalsContact CE2-CB 3.48Å; L63-S90 WeakPolarHBondContact O-CB 3.29Å; L63-S90 PolarHBondContact O-OG 3.45Å
91	G	94.1	Very high	96.8	Very high	17 Å²	17	10.2 Å²	10.2	18%	0.175	5%	0.053	C	C	.	.			trans	-132.8	-164.4	179.8	0	0	0	0	0	112.8	Q68 H89 F94	Q68-G91 PolarHBondContact NE2-O 2.92Å; H89-G91 PolarHBondContact O-N 3.4Å; G91-F94 CarbonylContact C-O 3.41Å; G91-F94 WeakPolarHBondContact CA-O 3.46Å
92	Y	94.1	Very high	96.9	Very high	68 Å²	68	8.7 Å²	8.7	27%	0.267	5%	0.047	S	C	.	.	S	Bend	trans	-88.9	106.6	173.2	-172.6	-88.3	0	0	0	111.3	F94 F118 L274 Q292 K375	Y92-F94 VanDerWaalsContact C-N 3.26Å; Y92-F94 PolarHBondContact N-O 3.38Å; Y92-F94 PolarHBondContact O-N 3.15Å; Y92-F118 HydrophobicContact CD1-CE2 4.07Å; Y92-F118 HydrophobicContact CD1-CZ 4.44Å; Y92-F118 HydrophobicContact CD2-CE2 4.2Å; Y92-F118 AromaticContact CG-CE2 3.87Å; Y92-F118 HydrophobicContact CG-CE2 3.87Å; Y92-F118 HydrophobicContact CG-CZ 4.47Å; Y92-L274 HydrophobicContact CE1-CD1 3.7Å; Y92-L274 HydrophobicContact CE1-CD2 3.89Å; Y92-L274 HydrophobicContact CE1-CG 4.48Å; Y92-Q292 HydrophobicContact CD1-CB 4Å; Y92-Q292 HydrophobicContact CD2-CB 4.28Å; Y92-Q292 HydrophobicContact CD2-CG 3.98Å; Y92-Q292 HydrophobicContact CE1-CB 3.81Å; Y92-Q292 HydrophobicContact CE1-CG 4.26Å; Y92-Q292 WeakPolarHBondContact CE1-O 3.23Å; Y92-Q292 HydrophobicContact CE2-CB 4.12Å; Y92-Q292 HydrophobicContact CE2-CG 3.66Å; Y92-Q292 HydrophobicContact CG-CB 4.23Å; Y92-Q292 HydrophobicContact CG-CG 4.42Å; Y92-K375 PolarHBondContact O-NZ 3.46Å
93	G	94.8	Very high	96.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	70.3	-74.9	-175.6	0	0	0	0	0	112.5	Q292 L293	G93-Q292 VanDerWaalsContact N-CB 3.33Å; G93-L293 VanDerWaalsContact C-CD2 3.44Å
94	F	97.7	Very high	96.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-78.6	141.7	167	-74.1	-125.7	0	0	0	109.6	V72 L75 G91 Y92 A100 F102 G114 L293 H373 K375	V72-F94 HydrophobicContact CB-CD1 4.4Å; V72-F94 HydrophobicContact CB-CE1 4.2Å; V72-F94 HydrophobicContact CB-CZ 4.33Å; V72-F94 HydrophobicContact CG1-CD1 3.95Å; V72-F94 HydrophobicContact CG1-CE1 3.38Å; V72-F94 HydrophobicContact CG1-CE2 4.43Å; V72-F94 HydrophobicContact CG1-CZ 3.65Å; V72-F94 HydrophobicContact CG2-CB 4.23Å; V72-F94 HydrophobicContact CG2-CD1 3.53Å; V72-F94 HydrophobicContact CG2-CD2 3.59Å; V72-F94 HydrophobicContact CG2-CE1 3.68Å; V72-F94 HydrophobicContact CG2-CE2 3.73Å; V72-F94 HydrophobicContact CG2-CG 3.47Å; V72-F94 VanDerWaalsContact CG2-CG 3.47Å; V72-F94 HydrophobicContact CG2-CZ 3.77Å; L75-F94 HydrophobicContact CD1-CE2 3.62Å; L75-F94 HydrophobicContact CD1-CZ 3.59Å; G91-F94 CarbonylContact C-O 3.41Å; G91-F94 WeakPolarHBondContact CA-O 3.46Å; Y92-F94 VanDerWaalsContact C-N 3.26Å; Y92-F94 PolarHBondContact N-O 3.38Å; Y92-F94 PolarHBondContact O-N 3.15Å; F94-A100 HydrophobicContact CE1-CB 3.89Å; F94-F102 HydrophobicContact CZ-CE2 4.49Å; F94-F102 HydrophobicContact CZ-CZ 4.44Å; F94-G114 WeakPolarHBondContact CB-O 3.37Å; F94-L293 HydrophobicContact CD2-CD2 3.44Å; F94-L293 VanDerWaalsContact CD2-CD2 3.44Å; F94-L293 HydrophobicContact CE2-CD2 3.62Å; F94-L293 HydrophobicContact CG-CD2 4.49Å; F94-H373 HydrophobicContact CE1-CB 4.37Å; F94-K375 HydrophobicContact CB-CD 3.98Å; F94-K375 PolarHBondContact O-NZ 2.89Å
95	A	97.2	Very high	96.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-62.7	149.9	165.9	0	0	0	0	0	110.3	Q68 V88 H89 N98	Q68-A95 HydrophobicContact CB-CB 3.98Å; V88-A95 HydrophobicContact CG2-CB 3.62Å; H89-A95 CarbonylContact O-C 3.51Å; H89-A95 WeakPolarHBondContact O-CA 3.46Å; H89-A95 WeakPolarHBondContact O-CB 3.47Å; A95-N98 HydrophobicContact CB-CB 3.99Å; A95-N98 WeakPolarHBondContact O-CB 3.4Å; A95-N98 PolarHBondContact O-N 3.07Å
96	I	96.8	Very high	96.4	Very high	49 Å²	49	19.1 Å²	19.1	25%	0.251	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.3	166.8	-61.2	168.8	0	0	0	106.2	V88 H89	V88-I96 CarbonylContact C-O 3.54Å; V88-I96 WeakPolarHBondContact CA-O 3.39Å; V88-I96 WeakPolarHBondContact CG2-O 3.19Å; H89-I96 VanDerWaalsContact CE1-CB 3.49Å; H89-I96 WeakPolarHBondContact CE1-CB 3.23Å; H89-I96 WeakPolarHBondContact CE1-CG2 3.26Å; H89-I96 PolarHBondContact N-O 2.76Å; H89-I96 WeakPolarHBondContact NE2-CD1 3.38Å; H89-I96 PolarHBondContact O-N 2.9Å
97	G	97.4	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89	0.6	-166.4	0	0	0	0	0	113.4	L85 K375 G376	L85-G97 WeakPolarHBondContact CB-O 3.32Å; L85-G97 PolarHBondContact N-O 3.09Å; G97-K375 WeakPolarHBondContact CA-O 3.44Å; G97-K375 PolarHBondContact N-O 3.03Å; G97-G376 VanDerWaalsContact CA-O 3.26Å; G97-G376 WeakPolarHBondContact CA-O 3.34Å; G97-G376 PolarHBondContact N-O 3.01Å
98	N	97.8	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	139.5	178.3	-171.6	-161.2	0	0	0	110.8	V72 S82 V83 A95 K375	V72-N98 WeakPolarHBondContact CG2-OD1 3.26Å; S82-N98 PolarHBondContact OG-ND2 2.93Å; S82-N98 VanDerWaalsContact OG-ND2 3.17Å; V83-N98 VanDerWaalsContact O-CA 3.28Å; V83-N98 WeakPolarHBondContact O-CA 3.45Å; V83-N98 PolarHBondContact O-ND2 2.78Å; A95-N98 HydrophobicContact CB-CB 3.99Å; A95-N98 WeakPolarHBondContact O-CB 3.4Å; A95-N98 PolarHBondContact O-N 3.07Å; N98-K375 PolarHBondContact N-O 3.32Å; N98-K375 PolarHBondContact O-N 3.42Å
99	M	97.9	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.6	173.9	54.7	145.9	-56.4	0	0	110.3	V83 L85 V372 H373 R374 T422 F423 S425	V83-M99 HydrophobicContact CB-CG 3.78Å; V83-M99 HydrophobicContact CB-SD 4Å; V83-M99 HydrophobicContact CG1-CG 4.23Å; V83-M99 HydrophobicContact CG1-SD 4.2Å; V83-M99 HydrophobicContact CG2-SD 4.42Å; V83-M99 PolarHBondContact N-O 3.02Å; V83-M99 PolarHBondContact O-N 2.8Å; L85-M99 HydrophobicContact CD1-CG 4.41Å; M99-V372 HydrophobicContact CE-CG1 4.49Å; M99-H373 WeakPolarHBondContact CA-O 3.33Å; M99-H373 VanDerWaalsContact CB-O 3.3Å; M99-H373 WeakPolarHBondContact CB-O 3.4Å; M99-R374 HydrophobicContact CB-CG 4.44Å; M99-T422 WeakPolarHBondContact CE-O 2.97Å; M99-F423 HydrophobicContact CE-CB 3.97Å; M99-F423 HydrophobicContact CE-CD2 3.59Å; M99-F423 HydrophobicContact CE-CG 4.25Å; M99-S425 WeakPolarHBondContact SD-CB 3.26Å
100	A	98.5	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.8	178.2	0	0	0	0	0	109.7	V72 I78 F94 F102 H373	V72-A100 HydrophobicContact CG1-CB 3.63Å; I78-A100 HydrophobicContact CD1-CB 3.82Å; I78-A100 HydrophobicContact CG1-CB 4.33Å; F94-A100 HydrophobicContact CE1-CB 3.89Å; A100-F102 HydrophobicContact CB-CE2 3.87Å; A100-F102 HydrophobicContact CB-CZ 4.22Å; A100-H373 PolarHBondContact N-O 3.1Å; A100-H373 VanDerWaalsContact N-O 3.1Å; A100-H373 PolarHBondContact O-N 2.92Å
101	A	98.5	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.7	178.4	0	0	0	0	0	110.6	I78 V79 L370 L371 V372 F423	I78-A101 WeakPolarHBondContact CA-O 3.46Å; V79-A101 PolarHBondContact N-O 3.5Å; A101-L370 HydrophobicContact CB-CB 4.18Å; A101-L370 HydrophobicContact CB-CD1 3.78Å; A101-L371 WeakPolarHBondContact CA-O 3.49Å; A101-V372 HydrophobicContact CB-CG2 4.15Å; A101-F423 HydrophobicContact CB-CD1 4.27Å; A101-F423 HydrophobicContact CB-CD2 3.73Å; A101-F423 HydrophobicContact CB-CE1 4.16Å; A101-F423 HydrophobicContact CB-CE2 3.62Å; A101-F423 HydrophobicContact CB-CG 4.05Å; A101-F423 HydrophobicContact CB-CZ 3.82Å
102	F	98.5	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.1	-177.7	-62.4	-91	0	0	0	110.7	L75 P76 I78 F94 A100 L104 V110 I298 L370 L371 H373	L75-F102 HydrophobicContact CB-CE1 3.69Å; L75-F102 HydrophobicContact CB-CZ 3.96Å; L75-F102 HydrophobicContact CD1-CE1 4.32Å; L75-F102 HydrophobicContact CD1-CZ 3.76Å; P76-F102 WeakPolarHBondContact O-CD1 3.37Å; I78-F102 HydrophobicContact CB-CD1 4.12Å; I78-F102 HydrophobicContact CB-CE1 3.71Å; I78-F102 HydrophobicContact CB-CZ 4.3Å; I78-F102 HydrophobicContact CG1-CE1 4.3Å; I78-F102 HydrophobicContact CG1-CZ 4.44Å; F94-F102 HydrophobicContact CZ-CE2 4.49Å; F94-F102 HydrophobicContact CZ-CZ 4.44Å; A100-F102 HydrophobicContact CB-CE2 3.87Å; A100-F102 HydrophobicContact CB-CZ 4.22Å; F102-L104 PolarHBondContact O-N 3.42Å; F102-V110 HydrophobicContact CD1-CG2 4.01Å; F102-V110 HydrophobicContact CE1-CG2 3.67Å; F102-V110 HydrophobicContact CZ-CG2 4.19Å; F102-I298 HydrophobicContact CB-CD1 4.07Å; F102-L370 CarbonylContact O-C 3.5Å; F102-L370 VanDerWaalsContact O-CA 3.27Å; F102-L370 WeakPolarHBondContact O-CA 3.28Å; F102-L371 PolarHBondContact N-O 3.09Å; F102-L371 PolarHBondContact O-N 2.84Å; F102-H373 AromaticContact CD2-CE1 3.93Å; F102-H373 AromaticContact CD2-ND1 3.47Å; F102-H373 WeakPolarHBondContact CD2-ND1 3.27Å; F102-H373 AromaticContact CE2-ND1 3.56Å
103	D	96.8	Very high	97.1	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.053	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	116.4	-176.1	-171	-22.8	0	0	0	111.3	G77 V79 T105 N106 S109 K368 L370	G77-D103 PolarHBondContact O-N 2.95Å; V79-D103 HydrophobicContact CG2-CB 3.7Å; D103-T105 VanDerWaalsContact CG-OG1 3.27Å; D103-T105 PolarHBondContact O-N 2.96Å; D103-T105 WeakPolarHBondContact OD1-CB 3.38Å; D103-T105 PolarHBondContact OD1-N 3.4Å; D103-T105 PolarHBondContact OD1-OG1 3.33Å; D103-T105 PolarHBondContact OD2-OG1 2.85Å; D103-N106 HydrophobicContact CB-CB 4.1Å; D103-N106 PolarHBondContact O-N 3.07Å; D103-N106 VanDerWaalsContact O-N 3.11Å; D103-S109 PolarHBondContact N-OG 3.15Å; D103-S109 WeakPolarHBondContact O-CB 3.06Å; D103-S109 PolarHBondContact O-OG 2.94Å; D103-K368 WeakPolarHBondContact OD2-CD 3.21Å; D103-K368 WeakPolarHBondContact OD2-CE 3.38Å; D103-K368 IonicContact OD2-NZ 3.11Å; D103-K368 PolarHBondContact OD2-NZ 2.71Å; D103-L370 HydrophobicContact CB-CD2 4.17Å
104	L	96.2	Very high	97.2	Very high	44 Å²	44	24.2 Å²	24.2	23%	0.23	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	-179.2	-86	79.2	0	0	0	112.9	F102 N106 V358 T369 L371	F102-L104 PolarHBondContact O-N 3.42Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-V358 HydrophobicContact CD1-CG1 4.3Å; L104-V358 HydrophobicContact CD2-CG1 3.84Å; L104-V358 HydrophobicContact CD2-CG2 4.12Å; L104-T369 HydrophobicContact CD1-CG2 4.31Å; L104-T369 WeakPolarHBondContact CD1-O 3.34Å; L104-T369 HydrophobicContact CD2-CG2 4.22Å; L104-T369 PolarHBondContact N-O 3.39Å; L104-L371 HydrophobicContact CD1-CB 3.8Å
105	T	94.3	Very high	97.2	Very high	110 Å²	110	24.2 Å²	24.2	68%	0.675	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.8	-180	71.2	0	0	0	0	112.4	D103 P107	D103-T105 VanDerWaalsContact CG-OG1 3.27Å; D103-T105 PolarHBondContact O-N 2.96Å; D103-T105 WeakPolarHBondContact OD1-CB 3.38Å; D103-T105 PolarHBondContact OD1-N 3.4Å; D103-T105 PolarHBondContact OD1-OG1 3.33Å; D103-T105 PolarHBondContact OD2-OG1 2.85Å; T105-P107 WeakPolarHBondContact O-CD 3.36Å
106	N	95.6	Very high	97.3	Very high	55 Å²	55	24.2 Å²	24.2	29%	0.294	13%	0.132	S	C	.	.	S	Bend	trans	-86.7	115.6	177.5	-179.6	-7.5	0	0	0	109.9	D103 L104 K108 S109	D103-N106 HydrophobicContact CB-CB 4.1Å; D103-N106 PolarHBondContact O-N 3.07Å; D103-N106 VanDerWaalsContact O-N 3.11Å; L104-N106 VanDerWaalsContact C-N 3.28Å; N106-K108 PolarHBondContact O-N 3.15Å; N106-K108 WeakPolarHBondContact OD1-CB 3.31Å; N106-K108 PolarHBondContact OD1-N 2.81Å; N106-S109 WeakPolarHBondContact CB-OG 3.13Å; N106-S109 VanDerWaalsContact O-CB 3.24Å; N106-S109 WeakPolarHBondContact O-CB 3.5Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 PolarHBondContact O-OG 3.27Å
107	P	95.4	Very high	97.3	Very high	97 Å²	97	22.1 Å²	22.1	63%	0.63	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.5	-178	27.1	-35.7	0	0	0	113.2	T105 H297	T105-P107 WeakPolarHBondContact O-CD 3.36Å; P107-H297 PolarHBondContact O-ND1 3.03Å
108	K	95.5	Very high	97.3	Very high	139 Å²	139	24.8 Å²	24.8	60%	0.604	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.4	175.5	-61.4	-174.5	178.1	-178.1	0	113	P76 N106 V110 H297	P76-K108 HydrophobicContact CB-CB 4.31Å; P76-K108 WeakPolarHBondContact CB-O 3.36Å; N106-K108 PolarHBondContact O-N 3.15Å; N106-K108 WeakPolarHBondContact OD1-CB 3.31Å; N106-K108 PolarHBondContact OD1-N 2.81Å; K108-V110 WeakPolarHBondContact O-CG1 3.23Å; K108-H297 PolarHBondContact O-ND1 3.11Å; K108-H297 VanDerWaalsContact O-ND1 3.15Å
109	S	97.8	Very high	97.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	14%	0.142	C	C	.	.			trans	-58.6	143.6	-178.8	-71.9	0	0	0	0	112.1	G77 D103 N106 H297 I298	G77-S109 PolarHBondContact O-OG 3.38Å; D103-S109 PolarHBondContact N-OG 3.15Å; D103-S109 WeakPolarHBondContact O-CB 3.06Å; D103-S109 PolarHBondContact O-OG 2.94Å; N106-S109 WeakPolarHBondContact CB-OG 3.13Å; N106-S109 VanDerWaalsContact O-CB 3.24Å; N106-S109 WeakPolarHBondContact O-CB 3.5Å; N106-S109 PolarHBondContact O-N 3.28Å; N106-S109 PolarHBondContact O-OG 3.27Å; S109-H297 CarbonylContact O-C 3.6Å; S109-H297 WeakPolarHBondContact O-CA 3.22Å; S109-I298 PolarHBondContact O-N 3Å
110	V	98.2	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	157.4	-171.3	-60.4	0	0	0	0	112.8	L75 P76 F102 K108 I286 C295 A296 I298	L75-V110 HydrophobicContact CB-CG2 4.2Å; L75-V110 HydrophobicContact CD2-CG2 4.44Å; P76-V110 HydrophobicContact CB-CG1 4.3Å; P76-V110 HydrophobicContact CG-CG1 4.38Å; F102-V110 HydrophobicContact CD1-CG2 4.01Å; F102-V110 HydrophobicContact CE1-CG2 3.67Å; F102-V110 HydrophobicContact CZ-CG2 4.19Å; K108-V110 WeakPolarHBondContact O-CG1 3.23Å; V110-I286 HydrophobicContact CG1-CD1 4.34Å; V110-C295 HydrophobicContact CB-CB 4.01Å; V110-C295 HydrophobicContact CG2-CB 4.2Å; V110-A296 CarbonylContact C-O 3Å; V110-A296 WeakPolarHBondContact CA-O 3.33Å; V110-A296 WeakPolarHBondContact CB-O 3.21Å; V110-I298 VanDerWaalsContact C-CG1 3.48Å
111	V	98.6	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.2	164.3	59.9	0	0	0	0	108.7	M277 C295 A296 I298 Y306 L307 L371	V111-M277 HydrophobicContact CG1-CE 3.93Å; V111-C295 VanDerWaalsContact O-CA 3.25Å; V111-C295 WeakPolarHBondContact O-CA 3.24Å; V111-C295 VanDerWaalsContact O-CB 3.25Å; V111-C295 WeakPolarHBondContact O-CB 3.32Å; V111-A296 PolarHBondContact N-O 3.44Å; V111-A296 PolarHBondContact O-N 2.99Å; V111-A296 VanDerWaalsContact O-N 3.13Å; V111-I298 HydrophobicContact CB-CG1 4.27Å; V111-Y306 HydrophobicContact CG1-CD1 4.29Å; V111-Y306 HydrophobicContact CG2-CD1 3.51Å; V111-Y306 HydrophobicContact CG2-CE1 3.54Å; V111-L307 HydrophobicContact CG2-CD2 3.88Å; V111-L307 HydrophobicContact CG2-CG 4.26Å; V111-L371 HydrophobicContact CB-CD2 3.8Å; V111-L371 HydrophobicContact CG2-CD2 3.89Å
112	S	98.2	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.			trans	-124.8	124	176.7	-176.8	0	0	0	0	111.6	G114 G115 A294 H373	S112-G114 PolarHBondContact O-N 2.91Å; S112-G114 PolarHBondContact OG-N 3.44Å; S112-G115 PolarHBondContact O-N 3.04Å; S112-A294 WeakPolarHBondContact CB-O 3.41Å; S112-A294 PolarHBondContact OG-O 3.2Å; S112-H373 PolarHBondContact N-NE2 3.32Å; S112-H373 PolarHBondContact O-CD2 2.94Å; S112-H373 PolarHBondContact O-NE2 3.48Å
113	P	98	Very high	97.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-59.5	-31.5	170.5	-23.6	31.6	0	0	0	112.1	G115 V116 G117 A273 L274 M277 Y306	P113-G115 PolarHBondContact O-N 2.82Å; P113-V116 PolarHBondContact O-N 3.11Å; P113-V116 VanDerWaalsContact O-N 3.13Å; P113-G117 PolarHBondContact O-N 3.22Å; P113-A273 HydrophobicContact CB-CB 4.41Å; P113-A273 HydrophobicContact CG-CB 3.62Å; P113-L274 HydrophobicContact CB-CD2 4.12Å; P113-L274 HydrophobicContact CB-CG 4.16Å; P113-L274 HydrophobicContact CG-CD2 4.32Å; P113-L274 HydrophobicContact CG-CG 4.46Å; P113-M277 WeakPolarHBondContact CD-SD 3.39Å; P113-M277 HydrophobicContact CG-CE 4Å; P113-M277 HydrophobicContact CG-SD 3.69Å; P113-Y306 WeakPolarHBondContact CA-OH 3.48Å; P113-Y306 HydrophobicContact CB-CE1 4.46Å; P113-Y306 HydrophobicContact CB-CE2 4.02Å; P113-Y306 HydrophobicContact CG-CD1 4.29Å; P113-Y306 HydrophobicContact CG-CD2 4.15Å; P113-Y306 HydrophobicContact CG-CE1 4.09Å; P113-Y306 HydrophobicContact CG-CE2 3.93Å; P113-Y306 HydrophobicContact CG-CG 4.32Å
114	G	96.8	Very high	97.3	Very high	2 Å²	2	26 Å²	26	2%	0.021	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-60.5	-28.5	173.4	0	0	0	0	0	113.1	F94 S112 K375	F94-G114 WeakPolarHBondContact CB-O 3.37Å; S112-G114 PolarHBondContact O-N 2.91Å; S112-G114 PolarHBondContact OG-N 3.44Å; G114-K375 WeakPolarHBondContact O-CD 3.36Å; G114-K375 WeakPolarHBondContact O-CE 3.41Å; G114-K375 PolarHBondContact O-NZ 2.66Å
115	G	97.5	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-86.6	-8	176.2	0	0	0	0	0	115.5	S112 P113 K375	S112-G115 PolarHBondContact O-N 3.04Å; P113-G115 PolarHBondContact O-N 2.82Å; G115-K375 WeakPolarHBondContact O-CB 3.42Å
116	V	98.3	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-43.1	170.1	174.5	0	0	0	0	110.2	P113 I120 Y306 M310 N354 A356	P113-V116 PolarHBondContact O-N 3.11Å; P113-V116 VanDerWaalsContact O-N 3.13Å; V116-I120 HydrophobicContact CG1-CG1 4.13Å; V116-I120 HydrophobicContact CG1-CG2 4.49Å; V116-Y306 VanDerWaalsContact CB-OH 3.3Å; V116-Y306 WeakPolarHBondContact CB-OH 3.27Å; V116-Y306 HydrophobicContact CG2-CE1 4.48Å; V116-Y306 VanDerWaalsContact CG2-OH 3.24Å; V116-Y306 WeakPolarHBondContact CG2-OH 3.49Å; V116-M310 HydrophobicContact CG1-CG 4.43Å; V116-M310 HydrophobicContact CG1-SD 4.17Å; V116-M310 HydrophobicContact CG2-SD 3.85Å; V116-N354 WeakPolarHBondContact O-CA 3.23Å; V116-N354 WeakPolarHBondContact O-CB 3.44Å; V116-A356 HydrophobicContact CG2-CB 3.69Å
117	G	97.2	Very high	97.8	Very high	4 Å²	4	16.1 Å²	16.1	4%	0.041	8%	0.084	C	C	.	.			trans	101.7	162.1	-173.1	0	0	0	0	0	112.7	P113	P113-G117 PolarHBondContact O-N 3.22Å
118	F	97.5	Very high	97.9	Very high	57 Å²	57	14.1 Å²	14.1	25%	0.25	6%	0.064	C	C	.	.	S	Bend	trans	-69.9	-41.8	-178.2	-75.4	-88.6	0	0	0	112.4	Y92 I120 G266 H267 A270 L274	Y92-F118 HydrophobicContact CD1-CE2 4.07Å; Y92-F118 HydrophobicContact CD1-CZ 4.44Å; Y92-F118 HydrophobicContact CD2-CE2 4.2Å; Y92-F118 AromaticContact CG-CE2 3.87Å; Y92-F118 HydrophobicContact CG-CE2 3.87Å; Y92-F118 HydrophobicContact CG-CZ 4.47Å; F118-I120 VanDerWaalsContact C-N 3.31Å; F118-I120 PolarHBondContact O-N 2.88Å; F118-G266 CarbonylContact O-C 3.59Å; F118-H267 HydrophobicContact CB-CB 4.49Å; F118-H267 AromaticContact CD1-CE1 3.67Å; F118-H267 AromaticContact CD1-ND1 3.81Å; F118-H267 AromaticContact CD1-NE2 3.89Å; F118-H267 WeakPolarHBondContact O-CA 3.49Å; F118-H267 PolarHBondContact O-N 3.18Å; F118-A270 HydrophobicContact CD1-CB 3.9Å; F118-A270 HydrophobicContact CE1-CB 4.46Å; F118-A270 HydrophobicContact CG-CB 4.39Å; F118-L274 HydrophobicContact CE1-CD1 3.87Å; F118-L274 HydrophobicContact CZ-CD1 3.61Å
119	D	97.4	Very high	98.1	Very high	32 Å²	32	7.5 Å²	7.5	17%	0.171	4%	0.035	C	C	.	.	S	Bend	trans	-85.3	80.1	176.2	-160.7	-12.3	0	0	0	109.6	N121 C122 H227 G261 S262 N354	D119-N121 PolarHBondContact O-N 3.42Å; D119-C122 HydrophobicContact CB-CB 4.01Å; D119-C122 VanDerWaalsContact O-CB 3.29Å; D119-C122 WeakPolarHBondContact O-CB 3.29Å; D119-C122 PolarHBondContact O-N 2.99Å; D119-H227 IonicContact OD2-CE1 3.19Å; D119-H227 PolarHBondContact OD2-CE1 2.83Å; D119-H227 IonicContact OD2-NE2 3.6Å; D119-H227 PolarHBondContact OD2-NE2 3.1Å; D119-H227 VanDerWaalsContact OD2-NE2 3.11Å; D119-G261 WeakPolarHBondContact OD1-CA 3.48Å; D119-S262 PolarHBondContact OD1-N 3.44Å; D119-S262 PolarHBondContact OD1-OG 3.03Å; D119-N354 WeakPolarHBondContact O-CB 3.47Å; D119-N354 PolarHBondContact O-ND2 3.45Å
120	I	98.6	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	133	-179.5	-61.7	172.2	0	0	0	108.9	V116 F118 C122 S262 V269 Y306 M310 A313 A314 I355	V116-I120 HydrophobicContact CG1-CG1 4.13Å; V116-I120 HydrophobicContact CG1-CG2 4.49Å; F118-I120 VanDerWaalsContact C-N 3.31Å; F118-I120 PolarHBondContact O-N 2.88Å; I120-C122 PolarHBondContact O-N 2.97Å; I120-C122 VanDerWaalsContact O-N 3.15Å; I120-S262 PolarHBondContact N-OG 3.35Å; I120-S262 WeakPolarHBondContact O-CB 3.36Å; I120-S262 PolarHBondContact O-N 2.98Å; I120-S262 PolarHBondContact O-OG 3.27Å; I120-V269 HydrophobicContact CD1-CB 4.01Å; I120-V269 HydrophobicContact CD1-CG1 3.77Å; I120-Y306 HydrophobicContact CD1-CE2 4.5Å; I120-M310 HydrophobicContact CD1-CB 4.37Å; I120-M310 HydrophobicContact CD1-CG 4.19Å; I120-M310 HydrophobicContact CG2-CG 3.66Å; I120-A313 HydrophobicContact CB-CB 4.1Å; I120-A313 HydrophobicContact CD1-CB 4.02Å; I120-A313 HydrophobicContact CG2-CB 3.98Å; I120-A314 HydrophobicContact CG2-CB 4.46Å; I120-I355 HydrophobicContact CG2-CD1 4.49Å
121	N	98.5	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	34.1	-173.4	-166.9	11.7	0	0	0	113	D119 G123 A314 A317 R321 S352 N354 I355	D119-N121 PolarHBondContact O-N 3.42Å; N121-G123 PolarHBondContact O-N 3.1Å; N121-A314 HydrophobicContact CB-CB 3.78Å; N121-A314 PolarHBondContact ND2-O 2.91Å; N121-A317 HydrophobicContact CB-CB 3.7Å; N121-A317 WeakPolarHBondContact O-CB 3.11Å; N121-R321 PolarHBondContact ND2-NH2 3.21Å; N121-R321 PolarHBondContact O-NH1 3.45Å; N121-R321 PolarHBondContact OD1-NH2 3.04Å; N121-S352 WeakPolarHBondContact OD1-CB 3.46Å; N121-N354 WeakPolarHBondContact CA-O 3.13Å; N121-N354 PolarHBondContact N-O 3.45Å; N121-I355 HydrophobicContact CB-CD1 4.12Å
122	C	97.9	Very high	98.1	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.02	7%	0.067	C	C	.	.			trans	-53.1	126.4	153.5	-164.7	0	0	0	0	107.2	D119 I120 H227 H259 H353 N354	D119-C122 HydrophobicContact CB-CB 4.01Å; D119-C122 VanDerWaalsContact O-CB 3.29Å; D119-C122 WeakPolarHBondContact O-CB 3.29Å; D119-C122 PolarHBondContact O-N 2.99Å; I120-C122 PolarHBondContact O-N 2.97Å; I120-C122 VanDerWaalsContact O-N 3.15Å; C122-H227 PolarHBondContact SG-NE2 3.42Å; C122-H259 PolarHBondContact SG-NE2 3.21Å; C122-H259 VanDerWaalsContact SG-NE2 3.44Å; C122-H353 VanDerWaalsContact C-CD2 3.48Å; C122-H353 VanDerWaalsContact C-NE2 3.26Å; C122-H353 PolarHBondContact O-CD2 3.28Å; C122-H353 PolarHBondContact O-N 3.17Å; C122-H353 PolarHBondContact O-NE2 3.4Å; C122-H353 PolarHBondContact SG-CE1 3.35Å; C122-H353 PolarHBondContact SG-NE2 2.96Å; C122-H353 VanDerWaalsContact SG-NE2 3.44Å; C122-N354 HydrophobicContact CB-CB 4.26Å; C122-N354 WeakPolarHBondContact CB-ND2 3.33Å; C122-N354 PolarHBondContact O-N 2.8Å
123	G	98	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164	-164.3	0	0	0	0	0	111.9	N121 H259 C260 V351 H353	N121-G123 PolarHBondContact O-N 3.1Å; G123-H259 PolarHBondContact O-CD2 3.23Å; G123-H259 VanDerWaalsContact O-CD2 3.31Å; G123-C260 PolarHBondContact N-O 3.33Å; G123-C260 PolarHBondContact O-N 3.22Å; G123-V351 CarbonylContact C-O 3.58Å; G123-V351 WeakPolarHBondContact CA-O 3.26Å; G123-H353 PolarHBondContact N-NE2 3.44Å
124	V	98.2	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.6	-178.6	-175.6	0	0	0	0	108.6	M257 I258 H259 D350 V351 L400	V124-M257 HydrophobicContact CG1-CE 4.28Å; V124-M257 HydrophobicContact CG1-CG 3.45Å; V124-M257 VanDerWaalsContact CG1-CG 3.45Å; V124-M257 HydrophobicContact CG1-SD 3.67Å; V124-I258 CarbonylContact C-O 3.5Å; V124-I258 WeakPolarHBondContact CA-O 3.27Å; V124-H259 HydrophobicContact CG2-CB 4.38Å; V124-D350 WeakPolarHBondContact O-CA 3.35Å; V124-V351 PolarHBondContact N-O 2.94Å; V124-V351 PolarHBondContact O-N 2.97Å; V124-L400 HydrophobicContact CB-CB 3.94Å; V124-L400 HydrophobicContact CB-CD1 4.34Å; V124-L400 HydrophobicContact CG1-CB 3.74Å; V124-L400 HydrophobicContact CG1-CD1 4.07Å; V124-L400 WeakPolarHBondContact O-CD1 3.28Å
125	R	98.7	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.1	170.5	178.8	176.3	-69.5	-156.6	-6.3	109.1	I127 M176 M257 I258 S322 T325 I347 Y349 D350	R125-I127 HydrophobicContact CG-CG1 4.34Å; R125-M176 PolarHBondContact NH2-SD 3.18Å; R125-M257 CarbonylContact O-C 3.55Å; R125-M257 WeakPolarHBondContact O-CA 3.32Å; R125-I258 PolarHBondContact N-O 3.17Å; R125-I258 PolarHBondContact O-N 3.1Å; R125-S322 PolarHBondContact NH1-OG 2.99Å; R125-S322 PolarHBondContact NH2-OG 3.29Å; R125-T325 WeakPolarHBondContact CD-OG1 3.27Å; R125-T325 PolarHBondContact NH1-OG1 3.09Å; R125-I347 HydrophobicContact CG-CD1 4.41Å; R125-I347 HydrophobicContact CG-CG1 4.4Å; R125-I347 HydrophobicContact CG-CG2 4.17Å; R125-I347 VanDerWaalsContact NH1-CD1 3.3Å; R125-Y349 WeakPolarHBondContact CA-O 3.42Å; R125-D350 HydrophobicContact CB-CB 4.11Å; R125-D350 HydrophobicContact CG-CB 4.13Å; R125-D350 IonicContact CZ-OD2 2.79Å; R125-D350 IonicContact NE-OD2 3.72Å; R125-D350 PolarHBondContact NE-OD2 3.23Å; R125-D350 IonicContact NH2-OD2 2.59Å; R125-D350 PolarHBondContact NH2-OD2 3.37Å
126	L	98.8	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.8	176	-173.5	67.2	0	0	0	109.8	V255 M257 I347 I348 Y349 L400 V411 L497	L126-V255 HydrophobicContact CD1-CB 3.95Å; L126-V255 HydrophobicContact CD1-CG2 3.8Å; L126-M257 HydrophobicContact CD1-CB 3.98Å; L126-M257 HydrophobicContact CD1-CE 3.98Å; L126-I347 CarbonylContact O-C 3.58Å; L126-I348 HydrophobicContact CB-CB 4.34Å; L126-I348 HydrophobicContact CD2-CB 4.36Å; L126-I348 HydrophobicContact CD2-CD1 3.69Å; L126-I348 HydrophobicContact CD2-CG2 4.49Å; L126-I348 HydrophobicContact CG-CB 4.43Å; L126-I348 HydrophobicContact CG-CD1 4.06Å; L126-I348 PolarHBondContact O-N 2.65Å; L126-Y349 PolarHBondContact N-O 3.19Å; L126-L400 HydrophobicContact CB-CD1 3.75Å; L126-L400 HydrophobicContact CB-CD2 3.8Å; L126-L400 HydrophobicContact CB-CG 4.42Å; L126-L400 HydrophobicContact CD2-CD2 3.91Å; L126-V411 HydrophobicContact CD2-CG2 3.46Å; L126-V411 VanDerWaalsContact CD2-CG2 3.46Å; L126-L497 HydrophobicContact CD1-CD1 4.11Å; L126-L497 HydrophobicContact CD2-CD1 4.15Å
127	I	98.8	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.5	-178.5	-58.3	150.4	0	0	0	107.3	R125 V255 L256 I258 T325 M345 Q346 I347	R125-I127 HydrophobicContact CG-CG1 4.34Å; I127-V255 CarbonylContact O-C 3.55Å; I127-V255 VanDerWaalsContact O-CA 3.26Å; I127-V255 WeakPolarHBondContact O-CA 3.39Å; I127-V255 WeakPolarHBondContact O-CB 3.22Å; I127-L256 HydrophobicContact CB-CB 4.32Å; I127-L256 HydrophobicContact CD1-CD2 3.97Å; I127-L256 HydrophobicContact CD1-CG 4.48Å; I127-L256 PolarHBondContact N-O 3.1Å; I127-L256 PolarHBondContact O-N 3.15Å; I127-I258 HydrophobicContact CD1-CD1 3.79Å; I127-I258 HydrophobicContact CD1-CG1 4.42Å; I127-T325 HydrophobicContact CD1-CG2 3.82Å; I127-T325 HydrophobicContact CG1-CG2 4.32Å; I127-M345 HydrophobicContact CG2-CB 4.13Å; I127-M345 HydrophobicContact CG2-CE 4.33Å; I127-Q346 CarbonylContact C-O 3.58Å; I127-Q346 WeakPolarHBondContact CA-O 3.41Å; I127-I347 HydrophobicContact CG1-CG1 4.19Å
128	R	98.5	Very high	98.3	Very high	56 Å²	56	34.3 Å²	34.3	21%	0.211	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	167.4	173.8	67	179.2	176	117.6	8.2	111	M246 I248 D344 M345 Q346 I348	R128-M246 WeakPolarHBondContact CD-O 3.34Å; R128-I248 HydrophobicContact CB-CD1 4.09Å; R128-D344 CarbonylContact C-O 3.49Å; R128-D344 IonicContact CZ-OD1 3.17Å; R128-D344 IonicContact CZ-OD2 3.13Å; R128-D344 IonicContact NE-OD1 3.9Å; R128-D344 IonicContact NE-OD2 3.82Å; R128-D344 IonicContact NH1-OD1 3.39Å; R128-D344 PolarHBondContact NH1-OD1 3.27Å; R128-D344 IonicContact NH1-OD2 2.6Å; R128-D344 PolarHBondContact NH1-OD2 3.44Å; R128-D344 IonicContact NH2-OD1 2.81Å; R128-D344 PolarHBondContact NH2-OD1 2.88Å; R128-D344 IonicContact NH2-OD2 3.56Å; R128-D344 VanDerWaalsContact O-O 3.09Å; R128-M345 VanDerWaalsContact O-CA 3.29Å; R128-M345 WeakPolarHBondContact O-CA 3.39Å; R128-Q346 HydrophobicContact CG-CB 4.14Å; R128-Q346 PolarHBondContact N-O 3.39Å; R128-I348 HydrophobicContact CB-CD1 4.02Å; R128-I348 HydrophobicContact CB-CG1 4.06Å; R128-I348 HydrophobicContact CG-CG1 4.41Å
129	T	98.7	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164.7	166.8	72.4	0	0	0	0	108.6	L131 Q253 V254 F332 L343 M345	T129-L131 VanDerWaalsContact C-N 3.25Å; T129-L131 WeakPolarHBondContact OG1-CB 3.19Å; T129-L131 PolarHBondContact OG1-N 2.97Å; T129-Q253 WeakPolarHBondContact O-CG 3.4Å; T129-Q253 PolarHBondContact O-NE2 3.2Å; T129-V254 PolarHBondContact N-O 3.36Å; T129-V254 PolarHBondContact OG1-O 2.74Å; T129-F332 HydrophobicContact CG2-CE1 4.17Å; T129-L343 CarbonylContact C-O 3.5Å; T129-L343 VanDerWaalsContact CA-O 3.3Å; T129-L343 WeakPolarHBondContact CA-O 3.22Å; T129-M345 HydrophobicContact CG2-CG 4.21Å
130	N	98.1	Very high	98.3	Very high	78 Å²	78	33.4 Å²	33.4	42%	0.417	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	4.8	166.8	65	2.6	0	0	0	113.5	D342 L343 D344	N130-D342 PolarHBondContact ND2-O 2.65Å; N130-L343 PolarHBondContact N-O 3.43Å; N130-L343 WeakPolarHBondContact OD1-CA 3.49Å; N130-L343 PolarHBondContact OD1-O 3.09Å; N130-D344 HydrophobicContact CB-CB 3.99Å
131	L	98.4	Very high	98.3	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	152.7	179.4	-60.9	169.8	0	0	0	111.8	T129 D135 V136 V254 F332 F336 L343	T129-L131 VanDerWaalsContact C-N 3.25Å; T129-L131 WeakPolarHBondContact OG1-CB 3.19Å; T129-L131 PolarHBondContact OG1-N 2.97Å; L131-D135 HydrophobicContact CD2-CB 4.17Å; L131-V136 HydrophobicContact CB-CG2 4.44Å; L131-V136 HydrophobicContact CD1-CG2 4.38Å; L131-V254 HydrophobicContact CB-CB 4.19Å; L131-V254 HydrophobicContact CB-CG2 4.37Å; L131-V254 PolarHBondContact O-N 2.75Å; L131-F332 HydrophobicContact CD1-CD1 4.04Å; L131-F332 HydrophobicContact CD1-CE1 4.16Å; L131-F336 HydrophobicContact CD1-CD1 4.37Å; L131-F336 HydrophobicContact CD1-CD2 3.78Å; L131-F336 HydrophobicContact CD1-CE1 4.05Å; L131-F336 HydrophobicContact CD1-CE2 3.42Å; L131-F336 VanDerWaalsContact CD1-CE2 3.42Å; L131-F336 HydrophobicContact CD1-CG 4.27Å; L131-F336 HydrophobicContact CD1-CZ 3.59Å; L131-F336 HydrophobicContact CD2-CD1 4.12Å; L131-F336 HydrophobicContact CD2-CE1 4.08Å; L131-F336 HydrophobicContact CD2-CZ 4.45Å; L131-L343 HydrophobicContact CD1-CD2 4.24Å; L131-L343 HydrophobicContact CD2-CD2 3.93Å; L131-L343 HydrophobicContact CG-CD2 4.16Å
132	N	98.5	Very high	98.3	Very high	37 Å²	37	43.8 Å²	43.8	20%	0.198	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	162.7	172.8	-59.2	-84	0	0	0	111.1	K134 D135 V136 H250 N252	N132-K134 HydrophobicContact CB-CG 4Å; N132-K134 PolarHBondContact O-N 3.42Å; N132-K134 VanDerWaalsContact O-N 3.13Å; N132-D135 WeakPolarHBondContact CA-OD2 3.36Å; N132-D135 VanDerWaalsContact CB-OD2 3.28Å; N132-D135 WeakPolarHBondContact CB-OD2 3.36Å; N132-D135 PolarHBondContact N-OD2 3.01Å; N132-D135 PolarHBondContact ND2-OD2 3.01Å; N132-D135 WeakPolarHBondContact O-CA 3.16Å; N132-D135 WeakPolarHBondContact O-CB 3.45Å; N132-D135 PolarHBondContact O-N 3.3Å; N132-V136 PolarHBondContact O-N 3.41Å; N132-H250 PolarHBondContact OD1-CD2 2.67Å; N132-H250 PolarHBondContact OD1-NE2 2.94Å; N132-N252 CarbonylContact C-O 3.31Å; N132-N252 WeakPolarHBondContact CA-O 3.18Å
133	L	98.4	Very high	98.3	Very high	28 Å²	28	43.7 Å²	43.7	15%	0.147	22%	0.218	C	C	.	.	H	α-helix	trans	-48.6	-42.9	174.6	178.4	60.2	0	0	0	112.4	D135 V136 L137 V233 N252 I500	L133-D135 PolarHBondContact O-N 3.41Å; L133-V136 PolarHBondContact O-N 3.29Å; L133-L137 HydrophobicContact CD1-CD1 4.18Å; L133-L137 HydrophobicContact CD1-CD2 3.91Å; L133-L137 HydrophobicContact CD1-CG 3.71Å; L133-L137 HydrophobicContact CD2-CD1 4.46Å; L133-L137 HydrophobicContact CG-CD1 3.88Å; L133-L137 HydrophobicContact CG-CG 3.92Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 2.75Å; L133-V233 HydrophobicContact CB-CG1 4.14Å; L133-V233 HydrophobicContact CD1-CG1 3.97Å; L133-N252 HydrophobicContact CB-CB 3.85Å; L133-N252 PolarHBondContact N-O 3.19Å; L133-I500 HydrophobicContact CD1-CD1 3.99Å; L133-I500 HydrophobicContact CD1-CG2 4.22Å
134	K	98.3	Very high	98.3	Very high	151 Å²	151	43.7 Å²	43.7	66%	0.657	22%	0.218	S	C	*	.	H	α-helix	trans	-60.8	-29.1	178.7	66.3	177.1	-175	176.9	0	113.5	N132 P138	N132-K134 HydrophobicContact CB-CG 4Å; N132-K134 PolarHBondContact O-N 3.42Å; N132-K134 VanDerWaalsContact O-N 3.13Å; K134-P138 VanDerWaalsContact O-CD 3.3Å; K134-P138 WeakPolarHBondContact O-CD 3.49Å
135	D	98.1	Very high	98.3	Very high	61 Å²	61	46.8 Å²	46.8	33%	0.326	23%	0.233	S	C	.	.	H	α-helix	trans	-80.6	-33.7	-178.8	-49.8	-44.6	0	0	0	110.2	L131 N132 L133	L131-D135 HydrophobicContact CD2-CB 4.17Å; N132-D135 WeakPolarHBondContact CA-OD2 3.36Å; N132-D135 VanDerWaalsContact CB-OD2 3.28Å; N132-D135 WeakPolarHBondContact CB-OD2 3.36Å; N132-D135 PolarHBondContact N-OD2 3.01Å; N132-D135 PolarHBondContact ND2-OD2 3.01Å; N132-D135 WeakPolarHBondContact O-CA 3.16Å; N132-D135 WeakPolarHBondContact O-CB 3.45Å; N132-D135 PolarHBondContact O-N 3.3Å; L133-D135 PolarHBondContact O-N 3.41Å
136	V	98.3	Very high	98.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-85.1	-34.8	-179.7	177.7	0	0	0	0	112.8	L131 N132 L133 P138 V139 K140 L143 V254 F336 I500	L131-V136 HydrophobicContact CB-CG2 4.44Å; L131-V136 HydrophobicContact CD1-CG2 4.38Å; N132-V136 PolarHBondContact O-N 3.41Å; L133-V136 PolarHBondContact O-N 3.29Å; V136-P138 VanDerWaalsContact C-CD 3.45Å; V136-V139 CarbonylContact O-C 3.55Å; V136-V139 WeakPolarHBondContact O-CG2 3.25Å; V136-V139 PolarHBondContact O-N 3.06Å; V136-K140 HydrophobicContact CG1-CB 4.43Å; V136-K140 WeakPolarHBondContact O-CA 3.4Å; V136-K140 PolarHBondContact O-N 2.78Å; V136-L143 HydrophobicContact CG1-CD2 3.94Å; V136-V254 HydrophobicContact CB-CG2 4.34Å; V136-V254 HydrophobicContact CG2-CB 4.27Å; V136-V254 HydrophobicContact CG2-CG1 4.06Å; V136-V254 HydrophobicContact CG2-CG2 3.57Å; V136-F336 HydrophobicContact CG2-CZ 3.94Å; V136-I500 HydrophobicContact CB-CD1 4.42Å; V136-I500 HydrophobicContact CG1-CD1 3.86Å
137	L	97.8	Very high	98.1	Very high	92 Å²	92	47.2 Å²	47.2	48%	0.482	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-49.5	-45.6	-174.3	-84.4	174.7	0	0	0	114.2	L133 V139 K140	L133-L137 HydrophobicContact CD1-CD1 4.18Å; L133-L137 HydrophobicContact CD1-CD2 3.91Å; L133-L137 HydrophobicContact CD1-CG 3.71Å; L133-L137 HydrophobicContact CD2-CD1 4.46Å; L133-L137 HydrophobicContact CG-CD1 3.88Å; L133-L137 HydrophobicContact CG-CG 3.92Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 VanDerWaalsContact O-CG 3.27Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 2.75Å; L137-V139 VanDerWaalsContact C-N 3.27Å; L137-V139 PolarHBondContact O-N 2.96Å; L137-K140 PolarHBondContact O-N 2.93Å
138	P	98.2	Very high	97.9	Very high	111 Å²	111	49.6 Å²	49.6	72%	0.721	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-65.9	-27.5	179.8	-21.9	34.6	0	0	0	114	K134 V136	K134-P138 VanDerWaalsContact O-CD 3.3Å; K134-P138 WeakPolarHBondContact O-CD 3.49Å; V136-P138 VanDerWaalsContact C-CD 3.45Å
139	V	98.1	Very high	97.7	Very high	40 Å²	40	51.7 Å²	51.7	24%	0.242	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-110.6	3.5	-175.7	-63.5	0	0	0	0	113.1	V136 L137 E141 K142 L143 I335 F336	V136-V139 CarbonylContact O-C 3.55Å; V136-V139 WeakPolarHBondContact O-CG2 3.25Å; V136-V139 PolarHBondContact O-N 3.06Å; L137-V139 VanDerWaalsContact C-N 3.27Å; L137-V139 PolarHBondContact O-N 2.96Å; V139-E141 PolarHBondContact O-N 2.86Å; V139-K142 CarbonylContact O-C 3.59Å; V139-K142 WeakPolarHBondContact O-CA 3.2Å; V139-K142 WeakPolarHBondContact O-CB 3.37Å; V139-K142 PolarHBondContact O-N 2.77Å; V139-L143 WeakPolarHBondContact O-CB 3.48Å; V139-L143 PolarHBondContact O-N 3.29Å; V139-I335 HydrophobicContact CB-CG2 3.92Å; V139-I335 HydrophobicContact CG1-CG2 4.42Å; V139-I335 HydrophobicContact CG2-CG2 3.76Å; V139-F336 HydrophobicContact CG2-CE1 3.96Å; V139-F336 HydrophobicContact CG2-CZ 3.78Å
140	K	98	Very high	97.4	Very high	31 Å²	31	53.4 Å²	53.4	14%	0.135	27%	0.269	C	S	.	.	H	α-helix	trans	-49.8	-51.8	-171	-175.6	-174.2	70.1	174.8	0	112.7	V136 L137 K142 L143 T144 G456 I500	V136-K140 HydrophobicContact CG1-CB 4.43Å; V136-K140 WeakPolarHBondContact O-CA 3.4Å; V136-K140 PolarHBondContact O-N 2.78Å; L137-K140 PolarHBondContact O-N 2.93Å; K140-K142 VanDerWaalsContact C-N 3.33Å; K140-K142 PolarHBondContact O-N 3.13Å; K140-L143 PolarHBondContact O-N 3.34Å; K140-T144 PolarHBondContact O-N 2.8Å; K140-T144 PolarHBondContact O-OG1 3.37Å; K140-G456 PolarHBondContact NZ-O 3.5Å; K140-I500 HydrophobicContact CD-CB 4.4Å; K140-I500 WeakPolarHBondContact CD-O 3.43Å
141	E	97.9	Very high	97.2	Very high	89 Å²	89	49.7 Å²	49.7	42%	0.416	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-38.9	179.8	-66.7	-54.9	140.7	0	0	112.8	V139 Q145 S458 R460	V139-E141 PolarHBondContact O-N 2.86Å; E141-Q145 WeakPolarHBondContact O-CB 3.49Å; E141-Q145 PolarHBondContact O-N 2.88Å; E141-S458 WeakPolarHBondContact OE1-CB 3.33Å; E141-S458 PolarHBondContact OE1-OG 3.47Å; E141-S458 PolarHBondContact OE2-OG 3.16Å; E141-R460 PolarHBondContact O-NH2 3.33Å; E141-R460 IonicContact OE2-CZ 2.74Å; E141-R460 IonicContact OE2-NH1 4Å; E141-R460 PolarHBondContact OE2-NH1 2.87Å; E141-R460 VanDerWaalsContact OE2-NH1 3.11Å; E141-R460 IonicContact OE2-NH2 2.9Å; E141-R460 PolarHBondContact OE2-NH2 3.05Å
142	K	98.1	Very high	96.8	Very high	129 Å²	129	50.2 Å²	50.2	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-71.5	-37.2	179.2	-163.5	-173.4	175	-176.1	0	111.2	V139 K140 T146 I335	V139-K142 CarbonylContact O-C 3.59Å; V139-K142 WeakPolarHBondContact O-CA 3.2Å; V139-K142 WeakPolarHBondContact O-CB 3.37Å; V139-K142 PolarHBondContact O-N 2.77Å; K140-K142 VanDerWaalsContact C-N 3.33Å; K140-K142 PolarHBondContact O-N 3.13Å; K142-T146 VanDerWaalsContact O-CB 3.29Å; K142-T146 WeakPolarHBondContact O-CB 3.41Å; K142-T146 PolarHBondContact O-N 3.45Å; K142-T146 PolarHBondContact O-OG1 2.99Å; K142-I335 HydrophobicContact CB-CD1 4.18Å; K142-I335 HydrophobicContact CD-CD1 3.73Å; K142-I335 HydrophobicContact CG-CD1 3.63Å
143	L	98.4	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-49	176.6	-178.3	60	0	0	0	111.4	V136 V139 K140 Q145 T146 L147 I231 F332 I335 F336	V136-L143 HydrophobicContact CG1-CD2 3.94Å; V139-L143 WeakPolarHBondContact O-CB 3.48Å; V139-L143 PolarHBondContact O-N 3.29Å; K140-L143 PolarHBondContact O-N 3.34Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.02Å; L143-T146 PolarHBondContact O-N 3.47Å; L143-T146 VanDerWaalsContact O-N 3.15Å; L143-L147 PolarHBondContact O-N 3.44Å; L143-I231 HydrophobicContact CB-CD1 4.41Å; L143-I231 HydrophobicContact CD2-CD1 3.74Å; L143-I231 HydrophobicContact CG-CD1 3.75Å; L143-F332 HydrophobicContact CD1-CD1 4.39Å; L143-F332 HydrophobicContact CD1-CD2 3.95Å; L143-F332 HydrophobicContact CD1-CE2 4.1Å; L143-F332 HydrophobicContact CD1-CG 4.12Å; L143-F332 HydrophobicContact CD1-CZ 4.38Å; L143-F332 HydrophobicContact CD2-CD1 4.46Å; L143-F332 HydrophobicContact CD2-CE1 3.94Å; L143-F332 HydrophobicContact CD2-CE2 4.41Å; L143-F332 HydrophobicContact CD2-CZ 3.92Å; L143-I335 HydrophobicContact CB-CG1 4.42Å; L143-I335 HydrophobicContact CB-CG2 4.3Å; L143-I335 HydrophobicContact CD1-CB 4.03Å; L143-I335 HydrophobicContact CD1-CG1 3.85Å; L143-I335 HydrophobicContact CD1-CG2 4.21Å; L143-F336 HydrophobicContact CD1-CE2 4.43Å; L143-F336 HydrophobicContact CD2-CE2 4.03Å; L143-F336 HydrophobicContact CD2-CZ 4.38Å
144	T	97.8	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-43.7	175.3	-49.8	0	0	0	0	111.1	K140 L147 F148 S458 R460 I503	K140-T144 PolarHBondContact O-N 2.8Å; K140-T144 PolarHBondContact O-OG1 3.37Å; T144-L147 PolarHBondContact O-N 2.87Å; T144-F148 PolarHBondContact O-N 3.08Å; T144-S458 VanDerWaalsContact CB-OG 3.31Å; T144-S458 WeakPolarHBondContact CB-OG 3.34Å; T144-S458 WeakPolarHBondContact CG2-O 3.44Å; T144-S458 WeakPolarHBondContact OG1-CB 3.3Å; T144-S458 PolarHBondContact OG1-OG 3.06Å; T144-S458 VanDerWaalsContact OG1-OG 3.04Å; T144-R460 HydrophobicContact CG2-CB 4.46Å; T144-R460 HydrophobicContact CG2-CG 3.78Å; T144-I503 HydrophobicContact CG2-CG2 3.87Å; T144-I503 WeakPolarHBondContact O-CG2 3.43Å
145	Q	97.6	Very high	93.1	Very high	66 Å²	66	46.6 Å²	46.6	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-44.8	175.2	-174.3	61.9	51.8	0	0	111.6	E141 L143 L147 F148 D149 R460	E141-Q145 WeakPolarHBondContact O-CB 3.49Å; E141-Q145 PolarHBondContact O-N 2.88Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.02Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-L147 PolarHBondContact O-N 3.01Å; Q145-F148 WeakPolarHBondContact O-CB 3.49Å; Q145-F148 PolarHBondContact O-N 3.29Å; Q145-F148 VanDerWaalsContact O-N 3.11Å; Q145-D149 PolarHBondContact NE2-OD1 3.08Å; Q145-D149 PolarHBondContact O-N 2.81Å; Q145-R460 VanDerWaalsContact OE1-CD 3.25Å
146	T	97.1	Very high	91.6	Very high	9 Å²	9	46 Å²	46	6%	0.055	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-38	-178.9	-60	0	0	0	0	111.6	K142 L143 D149 H150 A331 K334 I335	K142-T146 VanDerWaalsContact O-CB 3.29Å; K142-T146 WeakPolarHBondContact O-CB 3.41Å; K142-T146 PolarHBondContact O-N 3.45Å; K142-T146 PolarHBondContact O-OG1 2.99Å; L143-T146 PolarHBondContact O-N 3.47Å; L143-T146 VanDerWaalsContact O-N 3.15Å; T146-D149 PolarHBondContact O-N 2.76Å; T146-H150 VanDerWaalsContact CG2-CE1 3.45Å; T146-H150 WeakPolarHBondContact CG2-CE1 3.34Å; T146-H150 PolarHBondContact O-N 3.42Å; T146-H150 PolarHBondContact O-ND1 3.49Å; T146-A331 HydrophobicContact CG2-CB 3.84Å; T146-K334 HydrophobicContact CG2-CD 4.05Å; T146-I335 HydrophobicContact CG2-CD1 4.48Å; T146-I335 HydrophobicContact CG2-CG1 4.18Å; T146-I335 WeakPolarHBondContact OG1-CD1 3.13Å
147	L	97	Very high	90.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-44.4	171.2	-78	171.7	0	0	0	111.6	L143 T144 Q145 D149 H150 I151 I231 L256 A328 A331 F332 I503	L143-L147 PolarHBondContact O-N 3.44Å; T144-L147 PolarHBondContact O-N 2.87Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-L147 PolarHBondContact O-N 3.01Å; L147-D149 VanDerWaalsContact C-N 3.29Å; L147-D149 PolarHBondContact O-N 3.33Å; L147-H150 PolarHBondContact O-N 3.48Å; L147-I151 HydrophobicContact CD2-CD1 4.21Å; L147-I151 WeakPolarHBondContact O-CB 3.23Å; L147-I151 PolarHBondContact O-N 3.25Å; L147-I231 HydrophobicContact CD1-CD1 3.69Å; L147-I231 HydrophobicContact CD1-CG1 3.63Å; L147-L256 HydrophobicContact CD1-CD1 4.12Å; L147-A328 HydrophobicContact CD2-CB 3.93Å; L147-A331 HydrophobicContact CD2-CB 3.67Å; L147-A331 HydrophobicContact CG-CB 4.11Å; L147-F332 HydrophobicContact CD1-CE2 4.07Å; L147-F332 HydrophobicContact CD2-CD2 4.28Å; L147-F332 HydrophobicContact CD2-CE2 4.14Å; L147-F332 HydrophobicContact CG-CE2 4.43Å; L147-I503 HydrophobicContact CB-CD1 4.22Å; L147-I503 HydrophobicContact CB-CG2 4.16Å
148	F	95.5	Very high	89.2	Confident	49 Å²	49	50.7 Å²	50.7	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-35.1	177.4	-173.1	-93.4	0	0	0	112.4	T144 Q145 V153 R460 I503	T144-F148 PolarHBondContact O-N 3.08Å; Q145-F148 WeakPolarHBondContact O-CB 3.49Å; Q145-F148 PolarHBondContact O-N 3.29Å; Q145-F148 VanDerWaalsContact O-N 3.11Å; F148-V153 HydrophobicContact CD2-CG2 3.82Å; F148-V153 HydrophobicContact CE2-CG2 3.26Å; F148-V153 HydrophobicContact CZ-CG2 3.67Å; F148-R460 HydrophobicContact CB-CB 3.9Å; F148-R460 HydrophobicContact CB-CG 4.17Å; F148-R460 HydrophobicContact CD1-CB 4.48Å; F148-R460 HydrophobicContact CD2-CB 3.38Å; F148-R460 HydrophobicContact CD2-CG 4.48Å; F148-R460 HydrophobicContact CE2-CB 3.92Å; F148-R460 HydrophobicContact CG-CB 3.69Å; F148-R460 HydrophobicContact CG-CG 4.35Å; F148-I503 HydrophobicContact CB-CG2 3.87Å; F148-I503 HydrophobicContact CD2-CB 4.19Å; F148-I503 HydrophobicContact CD2-CG2 4.33Å
149	D	93.9	Very high	88.1	Confident	101 Å²	101	46.7 Å²	46.7	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-73.4	-33.6	177.6	-62	-20.6	0	0	0	112.3	Q145 T146 L147	Q145-D149 PolarHBondContact NE2-OD1 3.08Å; Q145-D149 PolarHBondContact O-N 2.81Å; T146-D149 PolarHBondContact O-N 2.76Å; L147-D149 VanDerWaalsContact C-N 3.29Å; L147-D149 PolarHBondContact O-N 3.33Å
150	H	92.9	Very high	87.1	Confident	35 Å²	35	49.4 Å²	49.4	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-84.6	-37.8	-179.5	-74.1	68.4	0	0	0	112.8	T146 L147 P152 L327 A331	T146-H150 VanDerWaalsContact CG2-CE1 3.45Å; T146-H150 WeakPolarHBondContact CG2-CE1 3.34Å; T146-H150 PolarHBondContact O-N 3.42Å; T146-H150 PolarHBondContact O-ND1 3.49Å; L147-H150 PolarHBondContact O-N 3.48Å; H150-P152 WeakPolarHBondContact O-CD 3.18Å; H150-L327 HydrophobicContact CB-CB 4.38Å; H150-L327 WeakPolarHBondContact O-CD1 3.35Å; H150-A331 HydrophobicContact CB-CB 4.41Å
151	I	94	Very high	86.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-98.2	109.1	-176.5	-61.7	171.9	0	0	0	108.6	L147 V153 L222 A229 M324 L327 A328 I503	L147-I151 HydrophobicContact CD2-CD1 4.21Å; L147-I151 WeakPolarHBondContact O-CB 3.23Å; L147-I151 PolarHBondContact O-N 3.25Å; I151-V153 WeakPolarHBondContact O-CG1 3.2Å; I151-V153 PolarHBondContact O-N 3.07Å; I151-L222 HydrophobicContact CG2-CB 4.21Å; I151-L222 HydrophobicContact CG2-CD1 4.1Å; I151-A229 HydrophobicContact CD1-CB 4.5Å; I151-M324 HydrophobicContact CG2-CG 4Å; I151-M324 HydrophobicContact CG2-SD 4.02Å; I151-L327 HydrophobicContact CG1-CB 3.9Å; I151-A328 HydrophobicContact CD1-CB 4.33Å; I151-I503 HydrophobicContact CB-CD1 3.89Å; I151-I503 HydrophobicContact CD1-CD1 3.95Å; I151-I503 HydrophobicContact CG1-CD1 4.45Å; I151-I503 HydrophobicContact CG2-CD1 4.17Å
152	P	88.9	Confident	85.5	Confident	24 Å²	24	49.3 Å²	49.3	16%	0.156	28%	0.277	C	S	.	.			trans	-63.4	125.9	177.2	-17.7	30.1	0	0	0	111	H150 K158 I160 G220 T221 L222	H150-P152 WeakPolarHBondContact O-CD 3.18Å; P152-K158 WeakPolarHBondContact CB-O 3.3Å; P152-K158 VanDerWaalsContact CG-O 3.32Å; P152-K158 WeakPolarHBondContact CG-O 3.32Å; P152-I160 HydrophobicContact CG-CG2 3.98Å; P152-G220 WeakPolarHBondContact CD-O 3.41Å; P152-T221 HydrophobicContact CB-CG2 3.91Å; P152-T221 HydrophobicContact CG-CG2 4.35Å; P152-T221 WeakPolarHBondContact O-CA 3.33Å; P152-T221 WeakPolarHBondContact O-CB 3.42Å; P152-L222 PolarHBondContact O-N 2.7Å
153	V	83.4	Confident	85	Confident	13 Å²	13	44.7 Å²	44.7	8%	0.079	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-117.1	153.4	-179.8	-63.4	0	0	0	0	111.2	F148 I151 S157 L222 A462 I503	F148-V153 HydrophobicContact CD2-CG2 3.82Å; F148-V153 HydrophobicContact CE2-CG2 3.26Å; F148-V153 HydrophobicContact CZ-CG2 3.67Å; I151-V153 WeakPolarHBondContact O-CG1 3.2Å; I151-V153 PolarHBondContact O-N 3.07Å; V153-S157 WeakPolarHBondContact O-CB 3.37Å; V153-S157 PolarHBondContact O-OG 3.4Å; V153-L222 HydrophobicContact CB-CB 4.43Å; V153-L222 HydrophobicContact CG1-CB 3.83Å; V153-L222 HydrophobicContact CG1-CD2 4.07Å; V153-L222 HydrophobicContact CG1-CG 4.38Å; V153-A462 HydrophobicContact CG2-CB 3.93Å; V153-I503 HydrophobicContact CG1-CD1 4.28Å
154	G	70	Confident	84.7	Confident	4 Å²	4	49.3 Å²	49.3	4%	0.041	28%	0.282	C	S	.	.	S	Bend	trans	106.8	167.6	171.1	0	0	0	0	0	116.1	G156 S157 G223 G505	G154-G156 PolarHBondContact O-N 3.41Å; G154-S157 PolarHBondContact O-N 2.86Å; G154-S157 PolarHBondContact O-OG 3.11Å; G154-G223 PolarHBondContact N-O 2.78Å; G154-G505 VanDerWaalsContact CA-OXT 3.29Å; G154-G505 WeakPolarHBondContact CA-OXT 3.45Å
155	V	64.9	Low	84.5	Confident	123 Å²	123	52.7 Å²	52.7	75%	0.745	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	119.4	-179.6	-178	0	0	0	0	109.9	S157 A224	V155-S157 VanDerWaalsContact C-N 3.34Å; V155-A224 HydrophobicContact CG2-CB 3.53Å
156	G	66.6	Low	84.4	Confident	50 Å²	50	55.8 Å²	55.8	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-0.6	177.3	0	0	0	0	0	114.8	G154	G154-G156 PolarHBondContact O-N 3.41Å
157	S	70	Confident	84.3	Confident	35 Å²	35	56.1 Å²	56.1	25%	0.245	33%	0.329	C	S	.	.			trans	-59.7	147.9	174.4	-60.5	0	0	0	0	111.6	V153 G154 V155	V153-S157 WeakPolarHBondContact O-CB 3.37Å; V153-S157 PolarHBondContact O-OG 3.4Å; G154-S157 PolarHBondContact O-N 2.86Å; G154-S157 PolarHBondContact O-OG 3.11Å; V155-S157 VanDerWaalsContact C-N 3.34Å
158	K	75.1	Confident	84.3	Confident	155 Å²	155	56.3 Å²	56.3	67%	0.674	33%	0.329	S	S	*	.			trans	-105	143.3	-177.5	-61.3	-172	-178.7	176.8	0	111.6	P152 P217 T221	P152-K158 WeakPolarHBondContact CB-O 3.3Å; P152-K158 VanDerWaalsContact CG-O 3.32Å; P152-K158 WeakPolarHBondContact CG-O 3.32Å; K158-P217 CarbonylContact C-O 3.48Å; K158-P217 WeakPolarHBondContact CA-O 3.27Å; K158-P217 HydrophobicContact CD-CB 4.46Å; K158-P217 HydrophobicContact CG-CB 4.12Å; K158-T221 VanDerWaalsContact C-CG2 3.48Å
159	G	74.1	Confident	84.4	Confident	26 Å²	26	57.4 Å²	57.4	27%	0.268	34%	0.335	S	S	.	.			trans	-60.7	151.6	170.5	0	0	0	0	0	113	P217 L219	G159-P217 PolarHBondContact N-O 2.88Å; G159-L219 WeakPolarHBondContact CA-O 3.38Å
160	I	78.1	Confident	84.6	Confident	98 Å²	98	55.1 Å²	55.1	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	-95.6	-13.8	171.8	61.5	166.4	0	0	0	112.9	P152 P162 L327	P152-I160 HydrophobicContact CG-CG2 3.98Å; I160-P162 WeakPolarHBondContact O-CD 3.48Å; I160-L327 HydrophobicContact CD1-CD1 3.92Å; I160-L327 HydrophobicContact CD1-CD2 3.21Å; I160-L327 HydrophobicContact CD1-CG 4.17Å; I160-L327 HydrophobicContact CG1-CD1 3.91Å; I160-L327 HydrophobicContact CG1-CD2 3.9Å
161	I	80.9	Confident	84.8	Confident	13 Å²	13	53.4 Å²	53.4	7%	0.067	31%	0.314	C	S	.	.	S	Bend	trans	-76.2	124.7	175.5	-70.3	178.7	0	0	0	108.8	M163 W178 Y184 S323	I161-M163 PolarHBondContact O-N 3.03Å; I161-W178 HydrophobicContact CG2-CH2 4.26Å; I161-Y184 HydrophobicContact CD1-CD1 4.01Å; I161-Y184 HydrophobicContact CD1-CD2 4.15Å; I161-Y184 HydrophobicContact CD1-CE1 4.07Å; I161-Y184 HydrophobicContact CD1-CE2 4.18Å; I161-Y184 HydrophobicContact CD1-CG 4.08Å; I161-Y184 HydrophobicContact CG1-CE1 4.15Å; I161-Y184 HydrophobicContact CG2-CD2 4.36Å; I161-Y184 HydrophobicContact CG2-CE1 4.41Å; I161-Y184 HydrophobicContact CG2-CE2 3.52Å; I161-S323 WeakPolarHBondContact CD1-OG 3.45Å
162	P	80.9	Confident	85	Confident	105 Å²	105	53.4 Å²	53.4	68%	0.682	31%	0.314	S	S	*	.			trans	-55.1	123.4	175.6	-25	34.6	0	0	0	110.8	I160	I160-P162 WeakPolarHBondContact O-CD 3.48Å
163	M	87.7	Confident	85.4	Confident	32 Å²	32	57 Å²	57	16%	0.158	33%	0.328	C	S	.	.			trans	-144.6	112.1	-176.5	-173.5	62	44.9	0	0	108.8	I161 A167 L168 W178 L216 L219	I161-M163 PolarHBondContact O-N 3.03Å; M163-A167 HydrophobicContact CE-CB 4.3Å; M163-A167 HydrophobicContact SD-CB 3.65Å; M163-L168 HydrophobicContact CG-CB 4.35Å; M163-L168 VanDerWaalsContact SD-CA 3.55Å; M163-L168 HydrophobicContact SD-CB 3.92Å; M163-L168 HydrophobicContact SD-CD1 4.43Å; M163-L168 PolarHBondContact SD-N 3Å; M163-W178 HydrophobicContact CE-CH2 3.09Å; M163-W178 HydrophobicContact CE-CZ2 3.31Å; M163-W178 HydrophobicContact CE-CZ3 3.85Å; M163-W178 HydrophobicContact SD-CZ2 4.39Å; M163-L216 HydrophobicContact CB-CD1 4.5Å; M163-L216 HydrophobicContact CG-CD1 3.71Å; M163-L219 HydrophobicContact CE-CD2 3.2Å; M163-L219 HydrophobicContact CG-CD2 4.26Å; M163-L219 HydrophobicContact SD-CD2 4.1Å
164	D	93	Very high	86.1	Confident	96 Å²	96	58.3 Å²	58.3	51%	0.513	33%	0.334	S	S	.	.			trans	-101.1	-178.7	168.7	66.4	29.6	0	0	0	110.7	Q166 A167 L168 L216	D164-Q166 VanDerWaalsContact C-N 3.3Å; D164-Q166 PolarHBondContact O-N 2.86Å; D164-Q166 PolarHBondContact OD1-N 3.04Å; D164-A167 WeakPolarHBondContact OD1-CB 3.28Å; D164-A167 PolarHBondContact OD1-N 3.23Å; D164-L168 WeakPolarHBondContact O-CB 3.47Å; D164-L168 PolarHBondContact O-N 3.15Å; D164-L216 VanDerWaalsContact O-CD1 3.3Å; D164-L216 WeakPolarHBondContact O-CD1 3.35Å
165	A	93.7	Very high	87.5	Confident	71 Å²	71	58.1 Å²	58.1	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-63.1	-36.7	-178	0	0	0	0	0	112.5	L168 E169	A165-L168 PolarHBondContact O-N 2.88Å; A165-E169 WeakPolarHBondContact O-CG 3.16Å; A165-E169 PolarHBondContact O-N 2.68Å; A165-E169 VanDerWaalsContact O-N 3.16Å
166	Q	95.2	Very high	89	Confident	132 Å²	132	52.3 Å²	52.3	62%	0.617	30%	0.297	S	S	*	.	H	α-helix	trans	-73	-47.3	-178.1	180	176	-6	0	0	110.9	D164 L168 E169 E170	D164-Q166 VanDerWaalsContact C-N 3.3Å; D164-Q166 PolarHBondContact O-N 2.86Å; D164-Q166 PolarHBondContact OD1-N 3.04Å; Q166-L168 PolarHBondContact O-N 3.38Å; Q166-E169 WeakPolarHBondContact O-CB 3.49Å; Q166-E169 PolarHBondContact O-N 2.98Å; Q166-E169 VanDerWaalsContact O-N 3.1Å; Q166-E170 WeakPolarHBondContact O-CG 3.41Å; Q166-E170 PolarHBondContact O-N 3.24Å
167	A	94.9	Very high	90.5	Very high	16 Å²	16	51.8 Å²	51.8	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-34.9	174.9	0	0	0	0	0	111.5	M163 D164 A171 W178	M163-A167 HydrophobicContact CE-CB 4.3Å; M163-A167 HydrophobicContact SD-CB 3.65Å; D164-A167 WeakPolarHBondContact OD1-CB 3.28Å; D164-A167 PolarHBondContact OD1-N 3.23Å; A167-A171 WeakPolarHBondContact O-CB 3.36Å; A167-A171 PolarHBondContact O-N 3.2Å; A167-W178 HydrophobicContact CB-CZ2 4.1Å; A167-W178 PolarHBondContact O-NE1 3.47Å
168	L	96.6	Very high	91.8	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-47.4	175.1	-177.6	64.4	0	0	0	111.6	M163 D164 A165 Q166 E170 A171 L172 K212 L216 M265 Y316	M163-L168 HydrophobicContact CG-CB 4.35Å; M163-L168 VanDerWaalsContact SD-CA 3.55Å; M163-L168 HydrophobicContact SD-CB 3.92Å; M163-L168 HydrophobicContact SD-CD1 4.43Å; M163-L168 PolarHBondContact SD-N 3Å; D164-L168 WeakPolarHBondContact O-CB 3.47Å; D164-L168 PolarHBondContact O-N 3.15Å; A165-L168 PolarHBondContact O-N 2.88Å; Q166-L168 PolarHBondContact O-N 3.38Å; L168-E170 VanDerWaalsContact C-N 3.28Å; L168-E170 PolarHBondContact O-N 3.34Å; L168-A171 PolarHBondContact O-N 2.85Å; L168-L172 HydrophobicContact CD1-CG 4.5Å; L168-L172 HydrophobicContact CG-CD1 4.44Å; L168-L172 HydrophobicContact CG-CG 4.48Å; L168-L172 VanDerWaalsContact O-CG 3.26Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.07Å; L168-K212 HydrophobicContact CD2-CB 4.14Å; L168-K212 HydrophobicContact CD2-CG 4.49Å; L168-L216 HydrophobicContact CB-CD1 3.86Å; L168-L216 HydrophobicContact CD2-CB 3.9Å; L168-L216 HydrophobicContact CD2-CD1 3.74Å; L168-L216 HydrophobicContact CD2-CG 4.45Å; L168-L216 HydrophobicContact CG-CD1 4.34Å; L168-M265 HydrophobicContact CD1-CE 3.83Å; L168-M265 HydrophobicContact CD2-CE 3.9Å; L168-M265 HydrophobicContact CG-CE 4.24Å; L168-Y316 HydrophobicContact CD1-CD2 3.84Å; L168-Y316 HydrophobicContact CD1-CE2 3.86Å
169	E	97.5	Very high	92.8	Very high	72 Å²	72	42.9 Å²	42.9	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-55.5	-46.2	176.6	-64.1	-76	-169.9	0	0	111	A165 Q166 A171 L172 E173 P204 K212	A165-E169 WeakPolarHBondContact O-CG 3.16Å; A165-E169 PolarHBondContact O-N 2.68Å; A165-E169 VanDerWaalsContact O-N 3.16Å; Q166-E169 WeakPolarHBondContact O-CB 3.49Å; Q166-E169 PolarHBondContact O-N 2.98Å; Q166-E169 VanDerWaalsContact O-N 3.1Å; E169-A171 PolarHBondContact O-N 2.9Å; E169-L172 WeakPolarHBondContact O-CB 3.36Å; E169-L172 PolarHBondContact O-N 2.84Å; E169-E173 PolarHBondContact O-N 2.88Å; E169-E173 VanDerWaalsContact O-N 3.13Å; E169-P204 WeakPolarHBondContact OE2-CB 3.45Å; E169-K212 IonicContact OE1-NZ 2.81Å; E169-K212 PolarHBondContact OE1-NZ 2.79Å; E169-K212 WeakPolarHBondContact OE2-CE 3.28Å; E169-K212 IonicContact OE2-NZ 2.7Å; E169-K212 PolarHBondContact OE2-NZ 2.85Å
170	E	97.4	Very high	93.9	Very high	53 Å²	53	44.6 Å²	44.6	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-42.5	177.8	-64.5	173.5	178.3	0	0	111.7	Q166 L168 L172 E173 M174 R181	Q166-E170 WeakPolarHBondContact O-CG 3.41Å; Q166-E170 PolarHBondContact O-N 3.24Å; L168-E170 VanDerWaalsContact C-N 3.28Å; L168-E170 PolarHBondContact O-N 3.34Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.78Å; E170-E173 PolarHBondContact O-N 3.44Å; E170-M174 HydrophobicContact CB-SD 4.46Å; E170-M174 WeakPolarHBondContact O-CB 3.34Å; E170-M174 WeakPolarHBondContact O-CG 3.48Å; E170-M174 PolarHBondContact O-N 2.96Å; E170-R181 IonicContact OE2-CZ 3.02Å; E170-R181 IonicContact OE2-NH2 2.83Å; E170-R181 PolarHBondContact OE2-NH2 2.59Å
171	A	97.4	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-35.1	176.4	0	0	0	0	0	112.5	A167 L168 E169 G175 W178 V319	A167-A171 WeakPolarHBondContact O-CB 3.36Å; A167-A171 PolarHBondContact O-N 3.2Å; L168-A171 PolarHBondContact O-N 2.85Å; E169-A171 PolarHBondContact O-N 2.9Å; A171-G175 WeakPolarHBondContact O-CA 3.29Å; A171-G175 PolarHBondContact O-N 2.93Å; A171-W178 HydrophobicContact CB-CB 4.45Å; A171-W178 HydrophobicContact CB-CD2 3.91Å; A171-W178 HydrophobicContact CB-CE3 4.21Å; A171-W178 HydrophobicContact CB-CG 4.01Å; A171-V319 HydrophobicContact CB-CG1 4.42Å; A171-V319 HydrophobicContact CB-CG2 4.28Å
172	L	98.4	Very high	95.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-35.7	175	-66.9	179.8	0	0	0	112.4	L168 E169 E170 A202 P204 V207 K212 M265 A312 N315 Y316	L168-L172 HydrophobicContact CD1-CG 4.5Å; L168-L172 HydrophobicContact CG-CD1 4.44Å; L168-L172 HydrophobicContact CG-CG 4.48Å; L168-L172 VanDerWaalsContact O-CG 3.26Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.07Å; E169-L172 WeakPolarHBondContact O-CB 3.36Å; E169-L172 PolarHBondContact O-N 2.84Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.78Å; L172-A202 WeakPolarHBondContact O-CB 3.09Å; L172-P204 HydrophobicContact CB-CB 4.02Å; L172-P204 HydrophobicContact CB-CG 3.82Å; L172-P204 HydrophobicContact CD1-CB 4.17Å; L172-V207 HydrophobicContact CD1-CB 4.47Å; L172-V207 HydrophobicContact CD1-CG2 4.41Å; L172-K212 HydrophobicContact CD1-CG 4.41Å; L172-M265 HydrophobicContact CD1-CE 4.49Å; L172-M265 HydrophobicContact CD1-SD 4.38Å; L172-M265 HydrophobicContact CD2-CE 4.08Å; L172-M265 HydrophobicContact CD2-SD 3.44Å; L172-M265 WeakPolarHBondContact CD2-SD 3.08Å; L172-A312 HydrophobicContact CB-CB 4.18Å; L172-A312 HydrophobicContact CD2-CB 4.49Å; L172-A312 WeakPolarHBondContact CD2-O 3.45Å; L172-N315 VanDerWaalsContact O-CB 3.24Å; L172-N315 WeakPolarHBondContact O-CB 3.49Å; L172-N315 PolarHBondContact O-ND2 3.37Å; L172-Y316 HydrophobicContact CD2-CD2 4.18Å; L172-Y316 HydrophobicContact CD2-CG 4.4Å
173	E	98.3	Very high	96.1	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-81.6	-42.6	179.7	-171.8	177.3	173.3	0	0	112.7	E169 E170 R198 P204 N315	E169-E173 PolarHBondContact O-N 2.88Å; E169-E173 VanDerWaalsContact O-N 3.13Å; E170-E173 PolarHBondContact O-N 3.44Å; E173-R198 PolarHBondContact O-NE 3.38Å; E173-P204 HydrophobicContact CB-CG 3.85Å; E173-N315 PolarHBondContact O-ND2 2.79Å
174	M	97.9	Very high	96.4	Very high	40 Å²	40	47.1 Å²	47.1	20%	0.197	25%	0.248	C	C	.	.	H	α-helix	trans	-94.9	-17.9	-169.1	-65	-178.9	68.6	0	0	113.6	E170 M176 D177 W178 R198	E170-M174 HydrophobicContact CB-SD 4.46Å; E170-M174 WeakPolarHBondContact O-CB 3.34Å; E170-M174 WeakPolarHBondContact O-CG 3.48Å; E170-M174 PolarHBondContact O-N 2.96Å; M174-M176 PolarHBondContact O-N 3.24Å; M174-D177 HydrophobicContact CB-CB 4.1Å; M174-D177 HydrophobicContact CE-CB 4Å; M174-D177 VanDerWaalsContact O-CB 3.31Å; M174-D177 WeakPolarHBondContact O-CB 3.09Å; M174-D177 PolarHBondContact O-N 3.44Å; M174-D177 VanDerWaalsContact O-N 3.1Å; M174-W178 HydrophobicContact CB-CB 3.88Å; M174-R198 WeakPolarHBondContact O-CD 3.43Å; M174-R198 WeakPolarHBondContact O-CG 3.43Å
175	G	98	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-134.7	-176.3	0	0	0	0	0	111.9	A171 D177 W178 G197 V319	A171-G175 WeakPolarHBondContact O-CA 3.29Å; A171-G175 PolarHBondContact O-N 2.93Å; G175-D177 PolarHBondContact O-N 3.42Å; G175-D177 VanDerWaalsContact O-N 3.16Å; G175-W178 WeakPolarHBondContact O-CB 3.37Å; G175-W178 PolarHBondContact O-N 3.32Å; G175-G197 WeakPolarHBondContact CA-O 3.41Å; G175-V319 VanDerWaalsContact C-CG2 3.44Å; G175-V319 WeakPolarHBondContact O-CG2 3.43Å
176	M	97.7	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-19.4	179	-76.6	-176.2	62.1	0	0	114.6	R125 M174 W178 S179 L180 V185 D189 K190 C193 G197 W318 S322	R125-M176 PolarHBondContact NH2-SD 3.18Å; M174-M176 PolarHBondContact O-N 3.24Å; M176-W178 PolarHBondContact O-N 3.13Å; M176-S179 PolarHBondContact O-N 2.99Å; M176-S179 VanDerWaalsContact O-N 3.15Å; M176-L180 PolarHBondContact O-N 2.95Å; M176-V185 HydrophobicContact CE-CB 4.47Å; M176-V185 HydrophobicContact CE-CG1 4.12Å; M176-D189 HydrophobicContact CE-CB 3.93Å; M176-K190 HydrophobicContact CB-CG 4.15Å; M176-K190 HydrophobicContact CE-CG 3.99Å; M176-C193 HydrophobicContact CE-CB 4.43Å; M176-C193 HydrophobicContact SD-CB 3.8Å; M176-G197 PolarHBondContact N-O 2.73Å; M176-W318 HydrophobicContact CG-CB 3.99Å; M176-W318 HydrophobicContact SD-CB 4.38Å; M176-S322 WeakPolarHBondContact CG-OG 3.34Å; M176-S322 PolarHBondContact SD-OG 2.84Å
177	D	97.9	Very high	96.8	Very high	39 Å²	39	39 Å²	39	21%	0.209	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-35.2	172.3	-68.3	-39.7	0	0	0	111.1	M174 G175 L180 R181 K190 R198	M174-D177 HydrophobicContact CB-CB 4.1Å; M174-D177 HydrophobicContact CE-CB 4Å; M174-D177 VanDerWaalsContact O-CB 3.31Å; M174-D177 WeakPolarHBondContact O-CB 3.09Å; M174-D177 PolarHBondContact O-N 3.44Å; M174-D177 VanDerWaalsContact O-N 3.1Å; G175-D177 PolarHBondContact O-N 3.42Å; G175-D177 VanDerWaalsContact O-N 3.16Å; D177-L180 PolarHBondContact O-N 3.31Å; D177-R181 PolarHBondContact O-N 3.46Å; D177-R181 VanDerWaalsContact O-N 3.08Å; D177-K190 WeakPolarHBondContact OD1-CE 3.2Å; D177-K190 IonicContact OD1-NZ 3.5Å; D177-K190 PolarHBondContact OD1-NZ 2.87Å; D177-R198 WeakPolarHBondContact OD2-CD 3.4Å; D177-R198 IonicContact OD2-CZ 3.69Å; D177-R198 IonicContact OD2-NE 2.72Å; D177-R198 IonicContact OD2-NH1 3.46Å; D177-R198 PolarHBondContact OD2-NH1 3.28Å
178	W	97.4	Very high	96.9	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.011	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-46.5	173.6	-179.6	94.1	0	0	0	110.9	I161 M163 A167 A171 M174 G175 M176 L180 R181 Q182 Y184 V319	I161-W178 HydrophobicContact CG2-CH2 4.26Å; M163-W178 HydrophobicContact CE-CH2 3.09Å; M163-W178 HydrophobicContact CE-CZ2 3.31Å; M163-W178 HydrophobicContact CE-CZ3 3.85Å; M163-W178 HydrophobicContact SD-CZ2 4.39Å; A167-W178 HydrophobicContact CB-CZ2 4.1Å; A167-W178 PolarHBondContact O-NE1 3.47Å; A171-W178 HydrophobicContact CB-CB 4.45Å; A171-W178 HydrophobicContact CB-CD2 3.91Å; A171-W178 HydrophobicContact CB-CE3 4.21Å; A171-W178 HydrophobicContact CB-CG 4.01Å; M174-W178 HydrophobicContact CB-CB 3.88Å; G175-W178 WeakPolarHBondContact O-CB 3.37Å; G175-W178 PolarHBondContact O-N 3.32Å; M176-W178 PolarHBondContact O-N 3.13Å; W178-L180 VanDerWaalsContact C-N 3.26Å; W178-L180 PolarHBondContact O-N 3.3Å; W178-R181 PolarHBondContact O-N 3.32Å; W178-Q182 HydrophobicContact CD2-CG 3.9Å; W178-Q182 HydrophobicContact CE3-CG 4.18Å; W178-Q182 HydrophobicContact CH2-CB 4.46Å; W178-Q182 HydrophobicContact CH2-CG 3.82Å; W178-Q182 HydrophobicContact CZ2-CG 3.58Å; W178-Q182 HydrophobicContact CZ3-CG 4.14Å; W178-Q182 WeakPolarHBondContact O-CG 3.24Å; W178-Q182 PolarHBondContact O-N 3.08Å; W178-Y184 HydrophobicContact CH2-CD2 4.23Å; W178-Y184 AromaticContact CH2-CE2 3.82Å; W178-Y184 HydrophobicContact CH2-CE2 3.82Å; W178-Y184 AromaticContact CZ3-CD2 3.88Å; W178-Y184 HydrophobicContact CZ3-CD2 3.88Å; W178-Y184 AromaticContact CZ3-CE2 3.96Å; W178-Y184 HydrophobicContact CZ3-CE2 3.96Å; W178-V319 HydrophobicContact CE3-CG1 3.79Å; W178-V319 HydrophobicContact CZ3-CG1 3.88Å
179	S	96.7	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-38	177.7	-63.5	0	0	0	0	112	M176 Q182 G183 Y184	M176-S179 PolarHBondContact O-N 2.99Å; M176-S179 VanDerWaalsContact O-N 3.15Å; S179-Q182 PolarHBondContact O-N 3.21Å; S179-G183 PolarHBondContact O-N 3.29Å; S179-Y184 PolarHBondContact O-N 3.04Å
180	L	97	Very high	97	Very high	62 Å²	62	41.1 Å²	41.1	33%	0.325	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-46.9	177.6	179.9	63.5	0	0	0	110.5	M176 D177 W178 Q182 G183 V185 K190	M176-L180 PolarHBondContact O-N 2.95Å; D177-L180 PolarHBondContact O-N 3.31Å; W178-L180 VanDerWaalsContact C-N 3.26Å; W178-L180 PolarHBondContact O-N 3.3Å; L180-Q182 PolarHBondContact O-N 2.92Å; L180-G183 PolarHBondContact O-N 3.06Å; L180-V185 VanDerWaalsContact CA-CG2 3.43Å; L180-V185 HydrophobicContact CB-CG2 3.71Å; L180-V185 HydrophobicContact CD1-CG2 4.17Å; L180-V185 VanDerWaalsContact N-CG2 3.34Å; L180-K190 HydrophobicContact CB-CD 4.5Å; L180-K190 HydrophobicContact CD2-CD 3.89Å
181	R	96.3	Very high	96.9	Very high	131 Å²	131	43.2 Å²	43.2	49%	0.494	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-35.2	177.4	-174.1	175.1	67.5	-172.8	1.8	112.8	E170 D177 W178 G183	E170-R181 IonicContact OE2-CZ 3.02Å; E170-R181 IonicContact OE2-NH2 2.83Å; E170-R181 PolarHBondContact OE2-NH2 2.59Å; D177-R181 PolarHBondContact O-N 3.46Å; D177-R181 VanDerWaalsContact O-N 3.08Å; W178-R181 PolarHBondContact O-N 3.32Å; R181-G183 VanDerWaalsContact C-N 3.34Å
182	Q	94.8	Very high	97	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3	178.2	-59.4	-58.3	-29.1	0	0	113.9	W178 S179 L180 Y184	W178-Q182 HydrophobicContact CD2-CG 3.9Å; W178-Q182 HydrophobicContact CE3-CG 4.18Å; W178-Q182 HydrophobicContact CH2-CB 4.46Å; W178-Q182 HydrophobicContact CH2-CG 3.82Å; W178-Q182 HydrophobicContact CZ2-CG 3.58Å; W178-Q182 HydrophobicContact CZ3-CG 4.14Å; W178-Q182 WeakPolarHBondContact O-CG 3.24Å; W178-Q182 PolarHBondContact O-N 3.08Å; S179-Q182 PolarHBondContact O-N 3.21Å; L180-Q182 PolarHBondContact O-N 2.92Å; Q182-Y184 HydrophobicContact CB-CD2 3.5Å; Q182-Y184 HydrophobicContact CB-CE2 3.37Å; Q182-Y184 HydrophobicContact CB-CG 4.42Å; Q182-Y184 HydrophobicContact CG-CD2 4.45Å; Q182-Y184 HydrophobicContact CG-CE2 4.13Å
183	G	94.5	Very high	97	Very high	49 Å²	49	44.5 Å²	44.5	51%	0.505	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	21.5	179.5	0	0	0	0	0	115	S179 L180 R181	S179-G183 PolarHBondContact O-N 3.29Å; L180-G183 PolarHBondContact O-N 3.06Å; R181-G183 VanDerWaalsContact C-N 3.34Å
184	Y	94.8	Very high	97	Very high	37 Å²	37	39.8 Å²	39.8	15%	0.145	20%	0.202	C	C	.	.	S	Bend	trans	-91.4	-7.5	177.2	-58.7	-50.5	0	0	0	113.8	I161 W178 S179 Q182 F326	I161-Y184 HydrophobicContact CD1-CD1 4.01Å; I161-Y184 HydrophobicContact CD1-CD2 4.15Å; I161-Y184 HydrophobicContact CD1-CE1 4.07Å; I161-Y184 HydrophobicContact CD1-CE2 4.18Å; I161-Y184 HydrophobicContact CD1-CG 4.08Å; I161-Y184 HydrophobicContact CG1-CE1 4.15Å; I161-Y184 HydrophobicContact CG2-CD2 4.36Å; I161-Y184 HydrophobicContact CG2-CE1 4.41Å; I161-Y184 HydrophobicContact CG2-CE2 3.52Å; W178-Y184 HydrophobicContact CH2-CD2 4.23Å; W178-Y184 AromaticContact CH2-CE2 3.82Å; W178-Y184 HydrophobicContact CH2-CE2 3.82Å; W178-Y184 AromaticContact CZ3-CD2 3.88Å; W178-Y184 HydrophobicContact CZ3-CD2 3.88Å; W178-Y184 AromaticContact CZ3-CE2 3.96Å; W178-Y184 HydrophobicContact CZ3-CE2 3.96Å; S179-Y184 PolarHBondContact O-N 3.04Å; Q182-Y184 HydrophobicContact CB-CD2 3.5Å; Q182-Y184 HydrophobicContact CB-CE2 3.37Å; Q182-Y184 HydrophobicContact CB-CG 4.42Å; Q182-Y184 HydrophobicContact CG-CD2 4.45Å; Q182-Y184 HydrophobicContact CG-CE2 4.13Å; Y184-F326 AromaticContact CD1-CD1 3.9Å; Y184-F326 HydrophobicContact CD1-CD1 3.9Å; Y184-F326 HydrophobicContact CD1-CD2 4.31Å; Y184-F326 AromaticContact CD1-CE1 3.93Å; Y184-F326 HydrophobicContact CD1-CE1 3.93Å; Y184-F326 HydrophobicContact CD1-CE2 4.34Å; Y184-F326 HydrophobicContact CD1-CG 4.08Å; Y184-F326 HydrophobicContact CD1-CZ 4.15Å; Y184-F326 HydrophobicContact CE1-CD1 4.5Å; Y184-F326 HydrophobicContact CE1-CE1 4.18Å; Y184-F326 HydrophobicContact CE1-CZ 4.46Å; Y184-F326 WeakPolarHBondContact O-CB 3.14Å
185	V	96.7	Very high	96.9	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.048	21%	0.206	C	C	.	.	S	Bend	trans	-140.4	159.9	176.3	-62.3	0	0	0	0	110.7	M176 L180 D189	M176-V185 HydrophobicContact CE-CB 4.47Å; M176-V185 HydrophobicContact CE-CG1 4.12Å; L180-V185 VanDerWaalsContact CA-CG2 3.43Å; L180-V185 HydrophobicContact CB-CG2 3.71Å; L180-V185 HydrophobicContact CD1-CG2 4.17Å; L180-V185 VanDerWaalsContact N-CG2 3.34Å; V185-D189 HydrophobicContact CB-CB 4.14Å; V185-D189 WeakPolarHBondContact CB-OD2 3.28Å
186	W	97.6	Very high	96.9	Very high	68 Å²	68	47.3 Å²	47.3	26%	0.258	23%	0.232	S	C	.	.			trans	-84.5	165.2	167	-53.8	-30.3	0	0	0	110.2	E188 D189 R329 P340 M345 Q346	W186-E188 VanDerWaalsContact C-N 3.32Å; W186-E188 WeakPolarHBondContact CB-OE2 3.29Å; W186-D189 PolarHBondContact N-OD2 2.92Å; W186-D189 WeakPolarHBondContact O-CB 3.23Å; W186-D189 PolarHBondContact O-N 3.02Å; W186-R329 VanDerWaalsContact CE3-CZ 3.41Å; W186-R329 VanDerWaalsContact CZ3-CZ 3.49Å; W186-R329 VanDerWaalsContact CZ3-NH2 3.29Å; W186-P340 HydrophobicContact CH2-CB 4.14Å; W186-P340 HydrophobicContact CZ2-CB 3.96Å; W186-M345 HydrophobicContact CH2-CB 4.4Å; W186-M345 WeakPolarHBondContact CZ3-O 2.81Å; W186-Q346 HydrophobicContact CZ3-CG 4.49Å
187	A	96.3	Very high	96.9	Very high	53 Å²	53	47.3 Å²	47.3	44%	0.438	23%	0.232	S	C	.	.	S	Bend	trans	-67.1	-39.5	-179.3	0	0	0	0	0	110.9	D189 K190	A187-D189 PolarHBondContact O-N 3.4Å; A187-K190 WeakPolarHBondContact O-CB 3.45Å; A187-K190 PolarHBondContact O-N 3Å
188	E	96.1	Very high	96.9	Very high	94 Å²	94	48.5 Å²	48.5	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-65.8	-25.6	-179.2	-56.6	78.4	-173.9	0	0	112.4	W186 K190 E191 H192	W186-E188 VanDerWaalsContact C-N 3.32Å; W186-E188 WeakPolarHBondContact CB-OE2 3.29Å; E188-K190 PolarHBondContact O-N 3.32Å; E188-E191 PolarHBondContact O-N 3.17Å; E188-E191 VanDerWaalsContact O-N 3.15Å; E188-H192 PolarHBondContact O-N 3.17Å; E188-H192 PolarHBondContact O-ND1 3.46Å
189	D	98.1	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-32.4	176.3	-73.5	-25.4	0	0	0	111.4	M176 V185 W186 A187 R329 I347	M176-D189 HydrophobicContact CE-CB 3.93Å; V185-D189 HydrophobicContact CB-CB 4.14Å; V185-D189 WeakPolarHBondContact CB-OD2 3.28Å; W186-D189 PolarHBondContact N-OD2 2.92Å; W186-D189 WeakPolarHBondContact O-CB 3.23Å; W186-D189 PolarHBondContact O-N 3.02Å; A187-D189 PolarHBondContact O-N 3.4Å; D189-R329 IonicContact OD1-CZ 3.27Å; D189-R329 IonicContact OD1-NH1 2.82Å; D189-R329 IonicContact OD1-NH2 3.45Å; D189-R329 PolarHBondContact OD1-NH2 3.46Å; D189-R329 IonicContact OD2-CZ 3.66Å; D189-R329 IonicContact OD2-NH1 2.78Å; D189-R329 PolarHBondContact OD2-NH1 3.24Å; D189-R329 IonicContact OD2-NH2 3.62Å; D189-R329 PolarHBondContact OD2-NH2 2.91Å; D189-I347 HydrophobicContact CB-CD1 3.6Å; D189-I347 VanDerWaalsContact OD1-CD1 3.3Å; D189-I347 WeakPolarHBondContact OD1-CD1 3.46Å; D189-I347 WeakPolarHBondContact OD1-CG1 3.45Å
190	K	97.3	Very high	97	Very high	42 Å²	42	55 Å²	55	18%	0.183	27%	0.268	C	S	.	.	H	α-helix	trans	-72.5	-37.1	178.1	-64.5	172	64.8	-160.4	0	111.6	M176 D177 L180 A187 E188 H192 C193 Y196	M176-K190 HydrophobicContact CB-CG 4.15Å; M176-K190 HydrophobicContact CE-CG 3.99Å; D177-K190 WeakPolarHBondContact OD1-CE 3.2Å; D177-K190 IonicContact OD1-NZ 3.5Å; D177-K190 PolarHBondContact OD1-NZ 2.87Å; L180-K190 HydrophobicContact CB-CD 4.5Å; L180-K190 HydrophobicContact CD2-CD 3.89Å; A187-K190 WeakPolarHBondContact O-CB 3.45Å; A187-K190 PolarHBondContact O-N 3Å; E188-K190 PolarHBondContact O-N 3.32Å; K190-H192 PolarHBondContact O-N 3.13Å; K190-C193 PolarHBondContact O-N 3.15Å; K190-C193 VanDerWaalsContact O-N 3.1Å; K190-Y196 WeakPolarHBondContact O-CA 3.44Å
191	E	96.8	Very high	97	Very high	98 Å²	98	56.1 Å²	56.1	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-29.3	179.8	-58.5	-174.6	170.8	0	0	111.4	E188 P389	E188-E191 PolarHBondContact O-N 3.17Å; E188-E191 VanDerWaalsContact O-N 3.15Å; E191-P389 WeakPolarHBondContact O-CG 3.4Å
192	H	98	Very high	97.1	Very high	22 Å²	22	50.5 Å²	50.5	10%	0.102	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	24.4	176.9	-61	90.8	0	0	0	112.8	E188 K190 I347 Y349 D350 Y392	E188-H192 PolarHBondContact O-N 3.17Å; E188-H192 PolarHBondContact O-ND1 3.46Å; K190-H192 PolarHBondContact O-N 3.13Å; H192-I347 HydrophobicContact CB-CB 4.25Å; H192-I347 HydrophobicContact CB-CG2 3.9Å; H192-Y349 HydrophobicContact CB-CD2 4.46Å; H192-Y349 CarbonylContact O-C 3.52Å; H192-Y349 WeakPolarHBondContact O-CA 3.34Å; H192-Y349 VanDerWaalsContact O-CD2 3.23Å; H192-Y349 WeakPolarHBondContact O-CD2 3.5Å; H192-D350 PolarHBondContact O-N 3.13Å; H192-Y392 AromaticContact CD2-CE2 3.61Å; H192-Y392 AromaticContact CD2-CZ 3.8Å
193	C	98.3	Very high	97.3	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-120.4	134.5	175.8	-169.3	0	0	0	0	110.9	M176 K190 E195 Y196 G197 W318 D350	M176-C193 HydrophobicContact CE-CB 4.43Å; M176-C193 HydrophobicContact SD-CB 3.8Å; K190-C193 PolarHBondContact O-N 3.15Å; K190-C193 VanDerWaalsContact O-N 3.1Å; C193-E195 PolarHBondContact O-N 2.92Å; C193-Y196 WeakPolarHBondContact O-CA 3.37Å; C193-Y196 PolarHBondContact O-N 3.31Å; C193-G197 VanDerWaalsContact SG-CA 3.54Å; C193-W318 PolarHBondContact SG-NE1 3.08Å; C193-W318 VanDerWaalsContact SG-NE1 3.41Å; C193-D350 HydrophobicContact CB-CB 4.22Å
194	E	98.2	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-53.2	135.6	170.8	177.4	165.3	-143.2	0	0	111.1	Y196 G197 W318 D350 V351 S352 K357 R379	E194-Y196 PolarHBondContact O-N 3.5Å; E194-G197 PolarHBondContact O-N 2.75Å; E194-W318 HydrophobicContact CG-CZ2 4.48Å; E194-W318 WeakPolarHBondContact O-CZ2 3.43Å; E194-D350 VanDerWaalsContact CB-O 3.26Å; E194-D350 WeakPolarHBondContact CB-O 3.13Å; E194-D350 PolarHBondContact N-O 2.88Å; E194-V351 WeakPolarHBondContact OE2-CG2 3.39Å; E194-S352 WeakPolarHBondContact OE2-CB 3.35Å; E194-S352 PolarHBondContact OE2-N 2.58Å; E194-S352 PolarHBondContact OE2-OG 2.81Å; E194-K357 WeakPolarHBondContact OE1-CE 3.48Å; E194-K357 IonicContact OE1-NZ 2.71Å; E194-K357 PolarHBondContact OE1-NZ 3.19Å; E194-K357 IonicContact OE2-NZ 3.42Å; E194-K357 PolarHBondContact OE2-NZ 2.63Å; E194-R379 WeakPolarHBondContact OE1-CB 3.31Å; E194-R379 WeakPolarHBondContact OE1-CD 3.32Å; E194-R379 IonicContact OE1-CZ 2.75Å; E194-R379 IonicContact OE1-NE 3.66Å; E194-R379 PolarHBondContact OE1-NE 3.48Å; E194-R379 VanDerWaalsContact OE1-NE 3.08Å; E194-R379 IonicContact OE1-NH1 2.74Å; E194-R379 PolarHBondContact OE1-NH1 3.19Å; E194-R379 IonicContact OE1-NH2 3.66Å
195	E	97.4	Very high	97.6	Very high	61 Å²	61	49.1 Å²	49.1	29%	0.285	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	57.1	23.8	-171.8	-54.2	-57.2	129.5	0	0	114.1	C193 G197 R198 M199 W318 K357 R379	C193-E195 PolarHBondContact O-N 2.92Å; E195-G197 PolarHBondContact O-N 3.37Å; E195-R198 CarbonylContact O-C 3.5Å; E195-R198 PolarHBondContact O-N 2.86Å; E195-M199 HydrophobicContact CG-CG 4.22Å; E195-W318 HydrophobicContact CB-CH2 3.79Å; E195-W318 HydrophobicContact CB-CZ2 4.14Å; E195-W318 HydrophobicContact CB-CZ3 4.43Å; E195-W318 HydrophobicContact CG-CH2 3.82Å; E195-W318 HydrophobicContact CG-CZ2 4.2Å; E195-K357 HydrophobicContact CG-CD 4.42Å; E195-K357 WeakPolarHBondContact OE1-CD 3.3Å; E195-K357 WeakPolarHBondContact OE1-CE 3.28Å; E195-R379 IonicContact OE1-CZ 3.79Å; E195-R379 IonicContact OE1-NH1 2.78Å; E195-R379 PolarHBondContact OE1-NH1 3.41Å; E195-R379 IonicContact OE1-NH2 2.62Å
196	Y	97.2	Very high	97.7	Very high	137 Å²	137	52.3 Å²	52.3	54%	0.537	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	53	23.2	-169.7	-66	-94	0	0	0	113.3	K190 C193 E194 R198	K190-Y196 WeakPolarHBondContact O-CA 3.44Å; C193-Y196 WeakPolarHBondContact O-CA 3.37Å; C193-Y196 PolarHBondContact O-N 3.31Å; E194-Y196 PolarHBondContact O-N 3.5Å; Y196-R198 VanDerWaalsContact C-N 3.35Å
197	G	98.1	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	73.4	18.1	-175.7	0	0	0	0	0	115.3	G175 M176 C193 E194 E195 W318	G175-G197 WeakPolarHBondContact CA-O 3.41Å; M176-G197 PolarHBondContact N-O 2.73Å; C193-G197 VanDerWaalsContact SG-CA 3.54Å; E194-G197 PolarHBondContact O-N 2.75Å; E195-G197 PolarHBondContact O-N 3.37Å; G197-W318 VanDerWaalsContact C-CE3 3.47Å
198	R	98.2	Very high	97.9	Very high	65 Å²	65	48.5 Å²	48.5	25%	0.245	24%	0.24	C	C	.	.			trans	-151.1	123.9	180	-176	-171.6	-179.4	-168.7	-8.1	113.3	E173 M174 D177 E195 Y196 L200 N315	E173-R198 PolarHBondContact O-NE 3.38Å; M174-R198 WeakPolarHBondContact O-CD 3.43Å; M174-R198 WeakPolarHBondContact O-CG 3.43Å; D177-R198 WeakPolarHBondContact OD2-CD 3.4Å; D177-R198 IonicContact OD2-CZ 3.69Å; D177-R198 IonicContact OD2-NE 2.72Å; D177-R198 IonicContact OD2-NH1 3.46Å; D177-R198 PolarHBondContact OD2-NH1 3.28Å; E195-R198 CarbonylContact O-C 3.5Å; E195-R198 PolarHBondContact O-N 2.86Å; Y196-R198 VanDerWaalsContact C-N 3.35Å; R198-L200 HydrophobicContact CG-CD2 4.48Å; R198-N315 WeakPolarHBondContact CA-OD1 3.46Å
199	M	98.2	Very high	97.9	Very high	4 Å²	4	49 Å²	49	2%	0.02	25%	0.254	C	S	.	.			trans	-88.2	117.3	163.7	-73	177.2	77.5	0	0	110.2	E195 Q201 A202 M310 A311 A314 N315 W318 I355	E195-M199 HydrophobicContact CG-CG 4.22Å; M199-Q201 VanDerWaalsContact C-N 3.3Å; M199-Q201 PolarHBondContact O-N 2.98Å; M199-A202 WeakPolarHBondContact O-CB 3.5Å; M199-A202 PolarHBondContact O-N 3.1Å; M199-M310 HydrophobicContact CE-CE 3.94Å; M199-A311 HydrophobicContact CB-CB 3.7Å; M199-A311 HydrophobicContact CE-CB 4.07Å; M199-A311 HydrophobicContact SD-CB 4.25Å; M199-A314 HydrophobicContact SD-CB 3.74Å; M199-N315 PolarHBondContact N-OD1 2.75Å; M199-N315 PolarHBondContact O-ND2 3.1Å; M199-W318 HydrophobicContact CB-CZ3 4.44Å; M199-W318 HydrophobicContact CG-CH2 3.82Å; M199-W318 HydrophobicContact CG-CZ3 3.76Å; M199-W318 HydrophobicContact SD-CH2 4.1Å; M199-W318 HydrophobicContact SD-CZ3 4.25Å; M199-I355 HydrophobicContact SD-CD1 4.02Å; M199-I355 HydrophobicContact SD-CG1 4.46Å
200	L	97.5	Very high	97.9	Very high	136 Å²	136	56.8 Å²	56.8	71%	0.712	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.8	-172.6	-64.5	177.3	0	0	0	114.1	R198 A202	R198-L200 HydrophobicContact CG-CD2 4.48Å; L200-A202 PolarHBondContact O-N 3.39Å
201	Q	97.3	Very high	98	Very high	85 Å²	85	54.8 Å²	54.8	40%	0.397	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5	178.8	73.1	-84.8	38.6	0	0	113.6	M199 D203 K308 A311	M199-Q201 VanDerWaalsContact C-N 3.3Å; M199-Q201 PolarHBondContact O-N 2.98Å; Q201-D203 PolarHBondContact O-N 3.23Å; Q201-K308 WeakPolarHBondContact O-CG 3.49Å; Q201-A311 HydrophobicContact CG-CB 3.84Å
202	A	98.6	Very high	98	Very high	13 Å²	13	51.8 Å²	51.8	11%	0.107	26%	0.26	C	S	.	.			trans	-59.2	131.9	176.9	0	0	0	0	0	111.1	L172 M199 L200 A311 A312 N315	L172-A202 WeakPolarHBondContact O-CB 3.09Å; M199-A202 WeakPolarHBondContact O-CB 3.5Å; M199-A202 PolarHBondContact O-N 3.1Å; L200-A202 PolarHBondContact O-N 3.39Å; A202-A311 HydrophobicContact CB-CB 3.97Å; A202-A312 HydrophobicContact CB-CB 4.12Å; A202-N315 WeakPolarHBondContact CB-ND2 3.42Å
203	D	98.5	Very high	97.9	Very high	42 Å²	42	59 Å²	59	23%	0.225	29%	0.291	C	S	.	.			trans	-128.4	101.9	174.1	-173.4	-18.4	0	0	0	108.4	Q201 S205 K206 K308	Q201-D203 PolarHBondContact O-N 3.23Å; D203-S205 VanDerWaalsContact CG-OG 3.23Å; D203-S205 PolarHBondContact O-N 3.46Å; D203-S205 VanDerWaalsContact O-N 3.15Å; D203-S205 WeakPolarHBondContact OD1-CB 3.41Å; D203-S205 PolarHBondContact OD1-N 2.91Å; D203-S205 PolarHBondContact OD1-OG 3.06Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; D203-K206 HydrophobicContact CB-CG 3.95Å; D203-K206 PolarHBondContact O-N 2.84Å; D203-K308 HydrophobicContact CB-CB 3.72Å; D203-K308 HydrophobicContact CB-CD 3.92Å; D203-K308 HydrophobicContact CB-CG 4.21Å; D203-K308 PolarHBondContact N-O 3.42Å
204	P	98.2	Very high	97.8	Very high	12 Å²	12	62.8 Å²	62.8	8%	0.078	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-59.4	-24.3	179.3	-22.8	32.6	0	0	0	113.2	E169 L172 E173 K206 V207 K212	E169-P204 WeakPolarHBondContact OE2-CB 3.45Å; L172-P204 HydrophobicContact CB-CB 4.02Å; L172-P204 HydrophobicContact CB-CG 3.82Å; L172-P204 HydrophobicContact CD1-CB 4.17Å; E173-P204 HydrophobicContact CB-CG 3.85Å; P204-K206 PolarHBondContact O-N 3.4Å; P204-V207 PolarHBondContact O-N 3.17Å; P204-V207 VanDerWaalsContact O-N 3.1Å; P204-K212 WeakPolarHBondContact O-CE 3.25Å; P204-K212 PolarHBondContact O-NZ 3.38Å
205	S	97.9	Very high	97.6	Very high	87 Å²	87	62.8 Å²	62.8	61%	0.608	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.4	177.4	78.8	0	0	0	0	113	D203 V207	D203-S205 VanDerWaalsContact CG-OG 3.23Å; D203-S205 PolarHBondContact O-N 3.46Å; D203-S205 VanDerWaalsContact O-N 3.15Å; D203-S205 WeakPolarHBondContact OD1-CB 3.41Å; D203-S205 PolarHBondContact OD1-N 2.91Å; D203-S205 PolarHBondContact OD1-OG 3.06Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; S205-V207 VanDerWaalsContact C-N 3.34Å
206	K	98.4	Very high	97.4	Very high	74 Å²	74	62.5 Å²	62.5	32%	0.322	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-85	-8.3	176.3	-56.1	-54.7	-174.8	158.5	0	113.3	D203 P204 D305 K308 A309	D203-K206 HydrophobicContact CB-CG 3.95Å; D203-K206 PolarHBondContact O-N 2.84Å; P204-K206 PolarHBondContact O-N 3.4Å; K206-D305 HydrophobicContact CD-CB 4.28Å; K206-D305 WeakPolarHBondContact CD-OD1 3.44Å; K206-D305 WeakPolarHBondContact CE-OD1 3.39Å; K206-D305 IonicContact NZ-OD1 3.29Å; K206-D305 PolarHBondContact NZ-OD1 3.07Å; K206-D305 IonicContact NZ-OD2 3.82Å; K206-D305 PolarHBondContact NZ-OD2 3.06Å; K206-K308 HydrophobicContact CB-CB 4.46Å; K206-K308 HydrophobicContact CG-CB 4.21Å; K206-K308 HydrophobicContact CG-CD 4.31Å; K206-A309 HydrophobicContact CB-CB 4.03Å
207	V	98.6	Very high	97.2	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	30%	0.295	C	S	.	.	S	Bend	trans	-86.7	122.5	173.4	-177.3	0	0	0	0	109.3	L172 P204 S205 A211 K212 M265 V269 A309 A312	L172-V207 HydrophobicContact CD1-CB 4.47Å; L172-V207 HydrophobicContact CD1-CG2 4.41Å; P204-V207 PolarHBondContact O-N 3.17Å; P204-V207 VanDerWaalsContact O-N 3.1Å; S205-V207 VanDerWaalsContact C-N 3.34Å; V207-A211 HydrophobicContact CG1-CB 3.68Å; V207-K212 HydrophobicContact CB-CG 4.49Å; V207-K212 HydrophobicContact CG1-CG 3.91Å; V207-K212 VanDerWaalsContact O-CE 3.27Å; V207-K212 WeakPolarHBondContact O-CE 3.4Å; V207-M265 HydrophobicContact CG1-CG 4.45Å; V207-M265 HydrophobicContact CG1-SD 4.47Å; V207-V269 HydrophobicContact CG1-CG2 4Å; V207-A309 HydrophobicContact CG2-CB 4.24Å; V207-A312 HydrophobicContact CG2-CB 3.55Å
208	S	98.2	Very high	97	Very high	37 Å²	37	59.9 Å²	59.9	26%	0.259	30%	0.302	S	S	.	.			trans	-61.8	151.4	-176.8	75.3	0	0	0	0	112.8	R210 A211 K212 D272	S208-R210 PolarHBondContact O-N 3.08Å; S208-A211 WeakPolarHBondContact O-CB 3.39Å; S208-A211 PolarHBondContact O-N 3.04Å; S208-A211 WeakPolarHBondContact OG-CB 3.33Å; S208-A211 PolarHBondContact OG-N 3.29Å; S208-K212 PolarHBondContact O-N 2.83Å; S208-D272 WeakPolarHBondContact CB-OD2 3.29Å; S208-D272 PolarHBondContact OG-OD2 3.25Å
209	S	97.6	Very high	96.7	Very high	104 Å²	104	56.9 Å²	56.9	73%	0.727	29%	0.291	S	S	*	.	H	α-helix	trans	-56.5	-33.9	173.9	60	0	0	0	0	112.2	K213	S209-K213 VanDerWaalsContact O-CB 3.3Å; S209-K213 WeakPolarHBondContact O-CB 3.04Å; S209-K213 PolarHBondContact O-N 3.04Å
210	R	98	Very high	96.5	Very high	164 Å²	164	56.7 Å²	56.7	62%	0.619	29%	0.29	S	S	*	.	H	α-helix	trans	-65.3	-43.4	174.3	-174.3	177.9	174.3	163.3	2.9	111.8	S208 K213 R214 Q268	S208-R210 PolarHBondContact O-N 3.08Å; R210-K213 PolarHBondContact O-N 3.34Å; R210-R214 WeakPolarHBondContact O-CG 3.3Å; R210-R214 PolarHBondContact O-N 3.02Å; R210-R214 VanDerWaalsContact O-N 3.08Å; R210-Q268 HydrophobicContact CB-CG 4.29Å; R210-Q268 HydrophobicContact CG-CG 3.99Å
211	A	98.2	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-45.6	176.7	0	0	0	0	0	111.2	V207 S208 K213 R214 G215 M265 Q268 V269	V207-A211 HydrophobicContact CG1-CB 3.68Å; S208-A211 WeakPolarHBondContact O-CB 3.39Å; S208-A211 PolarHBondContact O-N 3.04Å; S208-A211 WeakPolarHBondContact OG-CB 3.33Å; S208-A211 PolarHBondContact OG-N 3.29Å; A211-K213 PolarHBondContact O-N 3.15Å; A211-R214 PolarHBondContact O-N 2.86Å; A211-G215 PolarHBondContact O-N 2.9Å; A211-M265 HydrophobicContact CB-CG 4.23Å; A211-Q268 HydrophobicContact CB-CB 3.71Å; A211-Q268 HydrophobicContact CB-CG 3.79Å; A211-V269 HydrophobicContact CB-CG2 4.07Å
212	K	97.8	Very high	96.1	Very high	34 Å²	34	46.2 Å²	46.2	15%	0.148	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-47.1	174.7	-66	-179.1	-174.1	176.2	0	111.8	L168 E169 L172 P204 V207 S208 R214 G215 L216	L168-K212 HydrophobicContact CD2-CB 4.14Å; L168-K212 HydrophobicContact CD2-CG 4.49Å; E169-K212 IonicContact OE1-NZ 2.81Å; E169-K212 PolarHBondContact OE1-NZ 2.79Å; E169-K212 WeakPolarHBondContact OE2-CE 3.28Å; E169-K212 IonicContact OE2-NZ 2.7Å; E169-K212 PolarHBondContact OE2-NZ 2.85Å; L172-K212 HydrophobicContact CD1-CG 4.41Å; P204-K212 WeakPolarHBondContact O-CE 3.25Å; P204-K212 PolarHBondContact O-NZ 3.38Å; V207-K212 HydrophobicContact CB-CG 4.49Å; V207-K212 HydrophobicContact CG1-CG 3.91Å; V207-K212 VanDerWaalsContact O-CE 3.27Å; V207-K212 WeakPolarHBondContact O-CE 3.4Å; S208-K212 PolarHBondContact O-N 2.83Å; K212-R214 VanDerWaalsContact C-N 3.29Å; K212-R214 PolarHBondContact O-N 2.89Å; K212-G215 PolarHBondContact O-N 2.74Å; K212-L216 VanDerWaalsContact O-CB 3.32Å; K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 PolarHBondContact O-N 2.83Å
213	K	96.1	Very high	95.8	Very high	173 Å²	173	45.6 Å²	45.6	75%	0.752	23%	0.232	S	C	*	.	H	α-helix	trans	-61	-33.9	177.6	-171.9	174	-177.5	176.2	0	113.3	S209 R210 A211 P217	S209-K213 VanDerWaalsContact O-CB 3.3Å; S209-K213 WeakPolarHBondContact O-CB 3.04Å; S209-K213 PolarHBondContact O-N 3.04Å; R210-K213 PolarHBondContact O-N 3.34Å; A211-K213 PolarHBondContact O-N 3.15Å; K213-P217 VanDerWaalsContact O-CD 3.31Å; K213-P217 WeakPolarHBondContact O-CD 3.37Å
214	R	95	Very high	95.2	Very high	86 Å²	86	44.7 Å²	44.7	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-74.4	-40.4	175.2	-73.1	179.9	68.8	-175.4	-3.1	112.4	R210 A211 K212 Q218 G264	R210-R214 WeakPolarHBondContact O-CG 3.3Å; R210-R214 PolarHBondContact O-N 3.02Å; R210-R214 VanDerWaalsContact O-N 3.08Å; A211-R214 PolarHBondContact O-N 2.86Å; K212-R214 VanDerWaalsContact C-N 3.29Å; K212-R214 PolarHBondContact O-N 2.89Å; R214-Q218 WeakPolarHBondContact O-CG 3.38Å; R214-Q218 PolarHBondContact O-OE1 3.41Å; R214-G264 PolarHBondContact NE-O 3.01Å
215	G	94.3	Very high	94.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-78.6	-35.5	-177.1	0	0	0	0	0	114.6	A211 K212 Q218 L219 Y316	A211-G215 PolarHBondContact O-N 2.9Å; K212-G215 PolarHBondContact O-N 2.74Å; G215-Q218 PolarHBondContact O-N 3.02Å; G215-L219 PolarHBondContact O-N 3.08Å; G215-Y316 PolarHBondContact O-OH 3.09Å
216	L	93.9	Very high	94.2	Very high	55 Å²	55	43.1 Å²	43.1	29%	0.288	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-48.5	-52.3	-176.5	-175.7	71.2	0	0	0	113.4	M163 D164 L168 K212 Q218	M163-L216 HydrophobicContact CB-CD1 4.5Å; M163-L216 HydrophobicContact CG-CD1 3.71Å; D164-L216 VanDerWaalsContact O-CD1 3.3Å; D164-L216 WeakPolarHBondContact O-CD1 3.35Å; L168-L216 HydrophobicContact CB-CD1 3.86Å; L168-L216 HydrophobicContact CD2-CB 3.9Å; L168-L216 HydrophobicContact CD2-CD1 3.74Å; L168-L216 HydrophobicContact CD2-CG 4.45Å; L168-L216 HydrophobicContact CG-CD1 4.34Å; K212-L216 VanDerWaalsContact O-CB 3.32Å; K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 PolarHBondContact O-N 2.83Å; L216-Q218 VanDerWaalsContact C-N 3.28Å; L216-Q218 PolarHBondContact O-N 3.43Å
217	P	93	Very high	93.9	Very high	52 Å²	52	39.8 Å²	39.8	34%	0.338	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-72.3	-19.6	179.3	27.5	-33.7	0	0	0	113.6	K158 G159 K213	K158-P217 CarbonylContact C-O 3.48Å; K158-P217 WeakPolarHBondContact CA-O 3.27Å; K158-P217 HydrophobicContact CD-CB 4.46Å; K158-P217 HydrophobicContact CG-CB 4.12Å; G159-P217 PolarHBondContact N-O 2.88Å; K213-P217 VanDerWaalsContact O-CD 3.31Å; K213-P217 WeakPolarHBondContact O-CD 3.37Å
218	Q	93.4	Very high	93.8	Very high	29 Å²	29	39.8 Å²	39.8	14%	0.136	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-96.5	-1	-166.8	-64.6	-176.7	-13.4	0	0	114.4	R214 G215 L216 T221 R263 Y316	R214-Q218 WeakPolarHBondContact O-CG 3.38Å; R214-Q218 PolarHBondContact O-OE1 3.41Å; G215-Q218 PolarHBondContact O-N 3.02Å; L216-Q218 VanDerWaalsContact C-N 3.28Å; L216-Q218 PolarHBondContact O-N 3.43Å; Q218-T221 WeakPolarHBondContact O-CB 3.37Å; Q218-T221 WeakPolarHBondContact O-CG2 3.37Å; Q218-T221 PolarHBondContact O-N 3.06Å; Q218-T221 PolarHBondContact O-OG1 3.36Å; Q218-R263 HydrophobicContact CB-CB 4.11Å; Q218-R263 HydrophobicContact CB-CG 4.36Å; Q218-Y316 VanDerWaalsContact C-OH 3.24Å
219	L	92.6	Very high	93.7	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	138.3	-178.4	-170	77.9	0	0	0	110.5	G159 M163 G215 Y316 V319 N320	G159-L219 WeakPolarHBondContact CA-O 3.38Å; M163-L219 HydrophobicContact CE-CD2 3.2Å; M163-L219 HydrophobicContact CG-CD2 4.26Å; M163-L219 HydrophobicContact SD-CD2 4.1Å; G215-L219 PolarHBondContact O-N 3.08Å; L219-Y316 WeakPolarHBondContact CA-OH 3.44Å; L219-Y316 HydrophobicContact CB-CE2 4.07Å; L219-Y316 HydrophobicContact CD1-CD1 4.36Å; L219-Y316 HydrophobicContact CD1-CD2 3.77Å; L219-Y316 HydrophobicContact CD1-CE1 4.08Å; L219-Y316 HydrophobicContact CD1-CE2 3.44Å; L219-Y316 VanDerWaalsContact CD1-CE2 3.44Å; L219-Y316 HydrophobicContact CD1-CG 4.23Å; L219-Y316 HydrophobicContact CG-CE2 4.33Å; L219-Y316 PolarHBondContact N-OH 2.88Å; L219-V319 HydrophobicContact CD1-CB 4.26Å; L219-V319 HydrophobicContact CD1-CG1 3.88Å; L219-V319 HydrophobicContact CD2-CG1 3.88Å; L219-V319 HydrophobicContact CG-CG1 4.32Å; L219-N320 HydrophobicContact CD1-CB 4.1Å
220	G	93	Very high	93.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	27.1	-173.5	0	0	0	0	0	113.1	P152 N320	P152-G220 WeakPolarHBondContact CD-O 3.41Å; G220-N320 WeakPolarHBondContact CA-OD1 3.43Å; G220-N320 PolarHBondContact N-OD1 2.83Å
221	T	94.7	Very high	93.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.129	C	C	.	.			trans	-122.9	149.5	176.3	74.4	0	0	0	0	111.5	P152 K158 Q218 C260 R263 N320	P152-T221 HydrophobicContact CB-CG2 3.91Å; P152-T221 HydrophobicContact CG-CG2 4.35Å; P152-T221 WeakPolarHBondContact O-CA 3.33Å; P152-T221 WeakPolarHBondContact O-CB 3.42Å; K158-T221 VanDerWaalsContact C-CG2 3.48Å; Q218-T221 WeakPolarHBondContact O-CB 3.37Å; Q218-T221 WeakPolarHBondContact O-CG2 3.37Å; Q218-T221 PolarHBondContact O-N 3.06Å; Q218-T221 PolarHBondContact O-OG1 3.36Å; T221-C260 PolarHBondContact O-SG 3.47Å; T221-R263 WeakPolarHBondContact O-CD 3.49Å; T221-N320 PolarHBondContact N-OD1 3.39Å; T221-N320 PolarHBondContact O-ND2 3.37Å; T221-N320 PolarHBondContact O-OD1 2.62Å
222	L	93	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.			trans	-76.6	-39.1	-179.1	-159.3	116.3	0	0	0	112.1	I151 P152 V153 H227 A229 C260 M324 I503	I151-L222 HydrophobicContact CG2-CB 4.21Å; I151-L222 HydrophobicContact CG2-CD1 4.1Å; P152-L222 PolarHBondContact O-N 2.7Å; V153-L222 HydrophobicContact CB-CB 4.43Å; V153-L222 HydrophobicContact CG1-CB 3.83Å; V153-L222 HydrophobicContact CG1-CD2 4.07Å; V153-L222 HydrophobicContact CG1-CG 4.38Å; L222-H227 HydrophobicContact CD2-CB 3.99Å; L222-H227 HydrophobicContact CG-CB 4.28Å; L222-H227 WeakPolarHBondContact O-CB 3.39Å; L222-H227 PolarHBondContact O-ND1 2.81Å; L222-A229 HydrophobicContact CD1-CB 3.93Å; L222-C260 PolarHBondContact O-SG 3.5Å; L222-M324 HydrophobicContact CB-SD 4.13Å; L222-M324 HydrophobicContact CD1-SD 4Å; L222-M324 HydrophobicContact CG-SD 4.38Å; L222-I503 HydrophobicContact CD1-CD1 4.44Å
223	G	91.4	Very high	93.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	81.9	-148.2	-171.9	0	0	0	0	0	114.7	G154 G505	G154-G223 PolarHBondContact N-O 2.78Å; G223-G505 WeakPolarHBondContact O-CA 3.48Å
224	A	86.5	Confident	93.9	Very high	22 Å²	22	15.5 Å²	15.5	18%	0.182	9%	0.086	C	C	.	.	S	Bend	trans	-137.6	-174.3	-174.1	0	0	0	0	0	110.1	V155	V155-A224 HydrophobicContact CG2-CB 3.53Å
225	G	85.7	Confident	94.1	Very high	21 Å²	21	14.7 Å²	14.7	22%	0.216	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-134.5	-177.7	0	0	0	0	0	110.6	H227 E470 K504	G225-H227 VanDerWaalsContact C-N 3.27Å; G225-H227 PolarHBondContact O-N 2.63Å; G225-E470 WeakPolarHBondContact O-CG 3.38Å; G225-K504 WeakPolarHBondContact O-CE 3.39Å; G225-K504 PolarHBondContact O-NZ 2.84Å
226	N	87.8	Confident	94.3	Very high	46 Å²	46	18.8 Å²	18.8	25%	0.246	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.3	-179.6	65.7	-22.8	0	0	0	113.8	Y228 H259 K504	N226-Y228 WeakPolarHBondContact O-CD1 3.33Å; N226-H259 PolarHBondContact ND2-CE1 2.9Å; N226-K504 PolarHBondContact O-NZ 2.9Å
227	H	93.4	Very high	94.5	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.014	10%	0.102	C	C	.	.			trans	-65.3	144.1	177.5	-62.2	171.3	0	0	0	112.3	D119 C122 L222 G225 H259 R263 K504	D119-H227 IonicContact OD2-CE1 3.19Å; D119-H227 PolarHBondContact OD2-CE1 2.83Å; D119-H227 IonicContact OD2-NE2 3.6Å; D119-H227 PolarHBondContact OD2-NE2 3.1Å; D119-H227 VanDerWaalsContact OD2-NE2 3.11Å; C122-H227 PolarHBondContact SG-NE2 3.42Å; L222-H227 HydrophobicContact CD2-CB 3.99Å; L222-H227 HydrophobicContact CG-CB 4.28Å; L222-H227 WeakPolarHBondContact O-CB 3.39Å; L222-H227 PolarHBondContact O-ND1 2.81Å; G225-H227 VanDerWaalsContact C-N 3.27Å; G225-H227 PolarHBondContact O-N 2.63Å; H227-H259 VanDerWaalsContact CA-O 3.25Å; H227-H259 WeakPolarHBondContact CA-O 3.22Å; H227-H259 WeakPolarHBondContact CB-O 3.25Å; H227-R263 PolarHBondContact ND1-NH1 3.43Å; H227-K504 WeakPolarHBondContact O-CG 3.26Å; H227-K504 PolarHBondContact O-NZ 2.82Å
228	Y	95.3	Very high	94.8	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	163.2	178.7	54.9	-103.2	0	0	0	110.8	N226 E230 M257 H259 G402 I503	N226-Y228 WeakPolarHBondContact O-CD1 3.33Å; Y228-E230 HydrophobicContact CD2-CB 3.98Å; Y228-E230 HydrophobicContact CD2-CG 3.41Å; Y228-E230 VanDerWaalsContact CD2-CG 3.41Å; Y228-E230 HydrophobicContact CE2-CB 4.24Å; Y228-E230 HydrophobicContact CE2-CG 3.9Å; Y228-E230 HydrophobicContact CG-CG 3.99Å; Y228-M257 HydrophobicContact CE2-CB 4.47Å; Y228-M257 HydrophobicContact CE2-CG 4.07Å; Y228-M257 HydrophobicContact CE2-SD 4.11Å; Y228-H259 HydrophobicContact CD1-CB 4.13Å; Y228-H259 HydrophobicContact CD2-CB 4.05Å; Y228-H259 HydrophobicContact CE1-CB 3.86Å; Y228-H259 AromaticContact CE1-ND1 3.55Å; Y228-H259 HydrophobicContact CE2-CB 3.81Å; Y228-H259 HydrophobicContact CG-CB 4.22Å; Y228-H259 AromaticContact CZ-ND1 3.98Å; Y228-H259 PolarHBondContact N-O 3.02Å; Y228-H259 PolarHBondContact O-N 3.14Å; Y228-G402 WeakPolarHBondContact OH-CA 3.41Å; Y228-I503 VanDerWaalsContact CA-O 3.27Å; Y228-I503 WeakPolarHBondContact CA-O 3.34Å; Y228-I503 WeakPolarHBondContact CB-O 3.44Å
229	A	97	Very high	95	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.7	153	0	0	0	0	0	108.8	I151 L222 M257 I258 I503	I151-A229 HydrophobicContact CD1-CB 4.5Å; L222-A229 HydrophobicContact CD1-CB 3.93Å; A229-M257 CarbonylContact C-O 3.58Å; A229-M257 VanDerWaalsContact CA-O 3.24Å; A229-M257 WeakPolarHBondContact CA-O 3.38Å; A229-I258 HydrophobicContact CB-CG1 4.15Å; A229-I503 HydrophobicContact CB-CD1 3.91Å; A229-I503 HydrophobicContact CB-CG1 3.63Å; A229-I503 PolarHBondContact N-O 3.05Å; A229-I503 WeakPolarHBondContact O-CG1 3.39Å; A229-I503 PolarHBondContact O-N 3.31Å
230	E	97.5	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.2	-169.9	-77.5	-173.3	-174.1	0	0	111.5	Y228 Q232 L256 M257 M405 G501 V502	Y228-E230 HydrophobicContact CD2-CB 3.98Å; Y228-E230 HydrophobicContact CD2-CG 3.41Å; Y228-E230 VanDerWaalsContact CD2-CG 3.41Å; Y228-E230 HydrophobicContact CE2-CB 4.24Å; Y228-E230 HydrophobicContact CE2-CG 3.9Å; Y228-E230 HydrophobicContact CG-CG 3.99Å; E230-Q232 HydrophobicContact CB-CG 3.86Å; E230-Q232 PolarHBondContact O-N 3.21Å; E230-Q232 PolarHBondContact OE2-NE2 2.87Å; E230-L256 CarbonylContact O-C 3.55Å; E230-L256 WeakPolarHBondContact O-CA 3.45Å; E230-M257 PolarHBondContact N-O 2.9Å; E230-M257 PolarHBondContact O-N 3.49Å; E230-M405 WeakPolarHBondContact OE1-CA 3.2Å; E230-G501 CarbonylContact C-O 3.55Å; E230-G501 VanDerWaalsContact CA-O 3.27Å; E230-G501 WeakPolarHBondContact CA-O 3.19Å; E230-V502 HydrophobicContact CG-CB 4.15Å; E230-V502 HydrophobicContact CG-CG1 3.81Å; E230-V502 HydrophobicContact CG-CG2 3.86Å
231	I	98.5	Very high	95.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.3	164.5	-50.8	161.1	0	0	0	106.3	L143 L147 V254 L256 F332 I500 G501	L143-I231 HydrophobicContact CB-CD1 4.41Å; L143-I231 HydrophobicContact CD2-CD1 3.74Å; L143-I231 HydrophobicContact CG-CD1 3.75Å; L147-I231 HydrophobicContact CD1-CD1 3.69Å; L147-I231 HydrophobicContact CD1-CG1 3.63Å; I231-V254 HydrophobicContact CG2-CG1 3.79Å; I231-L256 HydrophobicContact CG1-CD1 4.22Å; I231-F332 HydrophobicContact CG1-CZ 4.43Å; I231-I500 HydrophobicContact CB-CG1 4.13Å; I231-I500 HydrophobicContact CG2-CD1 3.85Å; I231-I500 HydrophobicContact CG2-CG1 3.78Å; I231-I500 VanDerWaalsContact O-CG1 3.29Å; I231-I500 WeakPolarHBondContact O-CG1 3.27Å; I231-I500 PolarHBondContact O-N 3.31Å; I231-G501 PolarHBondContact N-O 3.11Å; I231-G501 PolarHBondContact O-N 3.06Å; I231-G501 VanDerWaalsContact O-N 3.09Å
232	Q	98.6	Very high	95.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164	-177.2	-56	176.5	-15.6	0	0	110	E230 V254 V255 S409 L497 R498 P499	E230-Q232 HydrophobicContact CB-CG 3.86Å; E230-Q232 PolarHBondContact O-N 3.21Å; E230-Q232 PolarHBondContact OE2-NE2 2.87Å; Q232-V254 WeakPolarHBondContact O-CA 3.47Å; Q232-V255 HydrophobicContact CB-CG2 3.86Å; Q232-V255 PolarHBondContact N-O 3.2Å; Q232-V255 PolarHBondContact O-N 3.08Å; Q232-S409 PolarHBondContact NE2-OG 3.24Å; Q232-S409 VanDerWaalsContact NE2-OG 3.07Å; Q232-L497 HydrophobicContact CB-CB 4.18Å; Q232-R498 CarbonylContact C-O 3.42Å; Q232-R498 VanDerWaalsContact CA-O 3.25Å; Q232-R498 WeakPolarHBondContact CA-O 3.26Å; Q232-P499 HydrophobicContact CG-CB 4.41Å
233	V	98.4	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.7	172.1	-64.6	0	0	0	0	110.9	L133 E235 Q253 V254 L497 R498 I500	L133-V233 HydrophobicContact CB-CG1 4.14Å; L133-V233 HydrophobicContact CD1-CG1 3.97Å; V233-E235 PolarHBondContact O-N 2.87Å; V233-E235 VanDerWaalsContact O-N 3.15Å; V233-Q253 WeakPolarHBondContact CA-O 3.14Å; V233-V254 HydrophobicContact CG1-CG2 3.97Å; V233-L497 CarbonylContact O-C 3.44Å; V233-L497 WeakPolarHBondContact O-CA 3.23Å; V233-R498 HydrophobicContact CG2-CB 4.31Å; V233-R498 PolarHBondContact N-O 2.9Å; V233-R498 PolarHBondContact O-N 3.36Å; V233-I500 HydrophobicContact CG1-CD1 3.9Å; V233-I500 HydrophobicContact CG1-CG1 4.42Å; V233-I500 HydrophobicContact CG1-CG2 4.31Å; V233-I500 HydrophobicContact CG2-CG2 4.14Å
234	V	98.8	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	109.1	173.8	179.7	0	0	0	0	109.1	I237 I248 L251 N252 Q253 V255 L495 L497	V234-I237 HydrophobicContact CG1-CD1 4.2Å; V234-I237 HydrophobicContact CG1-CG1 3.74Å; V234-I248 HydrophobicContact CB-CG2 4.41Å; V234-I248 HydrophobicContact CG1-CG2 4.05Å; V234-I248 HydrophobicContact CG2-CD1 4.31Å; V234-I248 HydrophobicContact CG2-CG2 3.69Å; V234-L251 HydrophobicContact CG1-CD2 4.29Å; V234-N252 PolarHBondContact O-N 3.12Å; V234-Q253 HydrophobicContact CG2-CB 4.18Å; V234-Q253 PolarHBondContact N-O 3.35Å; V234-V255 HydrophobicContact CG2-CG1 4.45Å; V234-L495 HydrophobicContact CG1-CD2 4.23Å; V234-L497 HydrophobicContact CB-CD2 4.48Å; V234-L497 HydrophobicContact CG2-CD2 3.92Å
235	E	98.3	Very high	96.8	Very high	69 Å²	69	38.9 Å²	38.9	32%	0.322	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-39	-179.5	179.5	170.7	-99	0	0	111.6	V233 K496 R498	V233-E235 PolarHBondContact O-N 2.87Å; V233-E235 VanDerWaalsContact O-N 3.15Å; E235-K496 PolarHBondContact N-O 2.77Å; E235-K496 VanDerWaalsContact OE2-CD 3.3Å; E235-K496 WeakPolarHBondContact OE2-CD 3.26Å; E235-K496 WeakPolarHBondContact OE2-CE 3.04Å; E235-K496 IonicContact OE2-NZ 2.73Å; E235-K496 PolarHBondContact OE2-NZ 2.99Å; E235-R498 HydrophobicContact CB-CB 4.24Å; E235-R498 VanDerWaalsContact OE1-CD 3.25Å; E235-R498 WeakPolarHBondContact OE1-CD 3.24Å; E235-R498 IonicContact OE1-NE 3.9Å; E235-R498 PolarHBondContact OE1-NE 3.3Å
236	E	98.6	Very high	97.4	Very high	86 Å²	86	38 Å²	38	40%	0.402	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.4	-176.9	-163	173.2	175.6	0	0	110.6	F238 L495 K496	E236-F238 HydrophobicContact CB-CE2 4.34Å; E236-F238 HydrophobicContact CB-CZ 4.23Å; E236-F238 VanDerWaalsContact CD-CZ 3.41Å; E236-F238 HydrophobicContact CG-CE1 4.04Å; E236-F238 HydrophobicContact CG-CE2 4.35Å; E236-F238 HydrophobicContact CG-CZ 3.94Å; E236-F238 WeakPolarHBondContact OE1-CE1 3.41Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.44Å; E236-L495 WeakPolarHBondContact O-CA 3.42Å; E236-K496 HydrophobicContact CB-CB 3.76Å; E236-K496 HydrophobicContact CB-CD 4.46Å; E236-K496 PolarHBondContact N-O 3.43Å; E236-K496 PolarHBondContact O-N 2.88Å
237	I	98.8	Very high	97.9	Very high	46 Å²	46	36.2 Å²	36.2	24%	0.236	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.6	175.6	-61.3	170.9	0	0	0	107.7	V234 K240 A243 I248 L251 L495	V234-I237 HydrophobicContact CG1-CD1 4.2Å; V234-I237 HydrophobicContact CG1-CG1 3.74Å; I237-K240 HydrophobicContact CG2-CB 4.37Å; I237-A243 HydrophobicContact CG2-CB 3.78Å; I237-I248 HydrophobicContact CD1-CG2 4.37Å; I237-L251 HydrophobicContact CD1-CD2 4.09Å; I237-L251 HydrophobicContact CG1-CD2 3.94Å; I237-L495 HydrophobicContact CB-CD2 4.41Å; I237-L495 HydrophobicContact CG1-CD2 3.83Å; I237-L495 HydrophobicContact CG2-CD2 4.38Å
238	F	98.6	Very high	98.1	Very high	75 Å²	75	36 Å²	36	33%	0.329	17%	0.173	S	C	.	.	S	Bend	trans	-89.2	-38.7	178.8	-58.2	-80.6	0	0	0	112	E236 Y410 K493 V494 K496	E236-F238 HydrophobicContact CB-CE2 4.34Å; E236-F238 HydrophobicContact CB-CZ 4.23Å; E236-F238 VanDerWaalsContact CD-CZ 3.41Å; E236-F238 HydrophobicContact CG-CE1 4.04Å; E236-F238 HydrophobicContact CG-CE2 4.35Å; E236-F238 HydrophobicContact CG-CZ 3.94Å; E236-F238 WeakPolarHBondContact OE1-CE1 3.41Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.44Å; F238-Y410 HydrophobicContact CE2-CD1 4.24Å; F238-Y410 AromaticContact CE2-CE1 3.94Å; F238-Y410 HydrophobicContact CE2-CE1 3.94Å; F238-Y410 HydrophobicContact CZ-CE1 4.23Å; F238-K493 HydrophobicContact CB-CB 3.94Å; F238-K493 WeakPolarHBondContact CB-O 3.45Å; F238-K493 HydrophobicContact CD1-CB 4.48Å; F238-K493 HydrophobicContact CD1-CD 4.2Å; F238-K493 HydrophobicContact CD2-CB 3.61Å; F238-K493 HydrophobicContact CD2-CD 4.07Å; F238-K493 HydrophobicContact CD2-CG 4.41Å; F238-K493 HydrophobicContact CE1-CD 4.09Å; F238-K493 HydrophobicContact CE2-CB 4.21Å; F238-K493 HydrophobicContact CE2-CD 3.93Å; F238-K493 HydrophobicContact CG-CB 3.76Å; F238-K493 HydrophobicContact CG-CD 4.2Å; F238-K493 HydrophobicContact CZ-CD 3.96Å; F238-V494 PolarHBondContact N-O 2.85Å; F238-K496 HydrophobicContact CE2-CB 3.88Å; F238-K496 HydrophobicContact CZ-CB 4.31Å
239	D	98.3	Very high	98.1	Very high	55 Å²	55	40.2 Å²	40.2	29%	0.294	20%	0.196	S	C	.	.			trans	-122.9	103.8	175.7	-175.5	-22.4	0	0	0	109.5	H241 A242 A243 V494	D239-H241 VanDerWaalsContact C-N 3.35Å; D239-H241 WeakPolarHBondContact OD1-CA 3.48Å; D239-H241 WeakPolarHBondContact OD1-CB 3.21Å; D239-H241 PolarHBondContact OD1-N 2.81Å; D239-A242 HydrophobicContact CB-CB 4.13Å; D239-A242 PolarHBondContact OD1-N 3.4Å; D239-A243 VanDerWaalsContact O-CB 3.22Å; D239-A243 WeakPolarHBondContact O-CB 3.12Å; D239-A243 PolarHBondContact O-N 3.36Å; D239-V494 HydrophobicContact CB-CG1 4.38Å; D239-V494 HydrophobicContact CB-CG2 4.41Å; D239-V494 PolarHBondContact N-O 3.11Å
240	K	98.2	Very high	98.1	Very high	151 Å²	151	44 Å²	44	66%	0.657	21%	0.213	S	C	*	.	H	α-helix	trans	-68.3	-33.3	-179.1	-170.4	174.4	-178.5	179.3	0	112.5	I237 T244	I237-K240 HydrophobicContact CG2-CB 4.37Å; K240-T244 WeakPolarHBondContact O-CB 3.49Å; K240-T244 PolarHBondContact O-N 3.33Å; K240-T244 PolarHBondContact O-OG1 2.68Å; K240-T244 VanDerWaalsContact O-OG1 3.11Å
241	H	98	Very high	98.2	Very high	100 Å²	100	48.2 Å²	48.2	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-67.8	-49.5	-179.3	-178.9	66.9	0	0	0	110.4	D239 T244 K245	D239-H241 VanDerWaalsContact C-N 3.35Å; D239-H241 WeakPolarHBondContact OD1-CA 3.48Å; D239-H241 WeakPolarHBondContact OD1-CB 3.21Å; D239-H241 PolarHBondContact OD1-N 2.81Å; H241-T244 PolarHBondContact O-N 2.88Å; H241-K245 WeakPolarHBondContact O-CG 3.25Å; H241-K245 PolarHBondContact O-N 2.77Å; H241-K245 VanDerWaalsContact O-N 3.12Å
242	A	98.4	Very high	98.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-42	176.1	0	0	0	0	0	112.2	D239 T244 K245 M246 T395 T413 V494	D239-A242 HydrophobicContact CB-CB 4.13Å; D239-A242 PolarHBondContact OD1-N 3.4Å; A242-T244 PolarHBondContact O-N 3.41Å; A242-K245 PolarHBondContact O-N 2.77Å; A242-M246 HydrophobicContact CB-CE 4.44Å; A242-M246 WeakPolarHBondContact O-CG 3.15Å; A242-M246 PolarHBondContact O-N 2.92Å; A242-T395 HydrophobicContact CB-CG2 3.81Å; A242-T413 HydrophobicContact CB-CG2 4.46Å; A242-V494 HydrophobicContact CB-CB 4.46Å; A242-V494 HydrophobicContact CB-CG1 3.72Å; A242-V494 HydrophobicContact CB-CG2 3.82Å
243	A	98.6	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-47.7	175.7	0	0	0	0	0	112.4	I237 D239 K245 M246 G247 I248 V494 L495	I237-A243 HydrophobicContact CG2-CB 3.78Å; D239-A243 VanDerWaalsContact O-CB 3.22Å; D239-A243 WeakPolarHBondContact O-CB 3.12Å; D239-A243 PolarHBondContact O-N 3.36Å; A243-K245 VanDerWaalsContact C-N 3.31Å; A243-K245 PolarHBondContact O-N 2.75Å; A243-M246 CarbonylContact O-C 3.56Å; A243-M246 WeakPolarHBondContact O-CA 3.34Å; A243-M246 WeakPolarHBondContact O-CB 3.46Å; A243-M246 PolarHBondContact O-N 2.85Å; A243-G247 PolarHBondContact O-N 3.36Å; A243-I248 CarbonylContact C-O 3.09Å; A243-I248 HydrophobicContact CB-CB 4.28Å; A243-I248 HydrophobicContact CB-CG2 4.48Å; A243-I248 PolarHBondContact O-N 2.64Å; A243-I248 VanDerWaalsContact O-O 3.11Å; A243-V494 HydrophobicContact CB-CG1 4.08Å; A243-L495 HydrophobicContact CB-CD2 3.73Å
244	T	98.2	Very high	98.2	Very high	65 Å²	65	51.7 Å²	51.7	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-38.3	178.5	-67.8	0	0	0	0	111.9	K240 H241 A242 M246 G247 I248 N249	K240-T244 WeakPolarHBondContact O-CB 3.49Å; K240-T244 PolarHBondContact O-N 3.33Å; K240-T244 PolarHBondContact O-OG1 2.68Å; K240-T244 VanDerWaalsContact O-OG1 3.11Å; H241-T244 PolarHBondContact O-N 2.88Å; A242-T244 PolarHBondContact O-N 3.41Å; T244-M246 VanDerWaalsContact C-N 3.26Å; T244-M246 PolarHBondContact O-N 3.03Å; T244-G247 PolarHBondContact O-N 2.9Å; T244-I248 WeakPolarHBondContact CA-O 3.04Å; T244-I248 PolarHBondContact N-O 3.39Å; T244-N249 PolarHBondContact OG1-OD1 2.89Å
245	K	97.9	Very high	98.2	Very high	93 Å²	93	51.7 Å²	51.7	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-31.5	173.8	-70	-62.4	-174.6	176.2	0	113	H241 A242 A243 G247 Y392 T395	H241-K245 WeakPolarHBondContact O-CG 3.25Å; H241-K245 PolarHBondContact O-N 2.77Å; H241-K245 VanDerWaalsContact O-N 3.12Å; A242-K245 PolarHBondContact O-N 2.77Å; A243-K245 VanDerWaalsContact C-N 3.31Å; A243-K245 PolarHBondContact O-N 2.75Å; K245-G247 PolarHBondContact O-N 3.06Å; K245-Y392 HydrophobicContact CB-CD1 4.37Å; K245-Y392 HydrophobicContact CB-CE1 4.48Å; K245-T395 HydrophobicContact CB-CG2 4.4Å; K245-T395 HydrophobicContact CG-CG2 4.16Å
246	M	98.3	Very high	98.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	9.3	173.2	-61.5	174.4	-166.8	0	0	113.2	R128 A242 A243 T244 I248 I348 Y392 P398 V411 T413 V494	R128-M246 WeakPolarHBondContact CD-O 3.34Å; A242-M246 HydrophobicContact CB-CE 4.44Å; A242-M246 WeakPolarHBondContact O-CG 3.15Å; A242-M246 PolarHBondContact O-N 2.92Å; A243-M246 CarbonylContact O-C 3.56Å; A243-M246 WeakPolarHBondContact O-CA 3.34Å; A243-M246 WeakPolarHBondContact O-CB 3.46Å; A243-M246 PolarHBondContact O-N 2.85Å; T244-M246 VanDerWaalsContact C-N 3.26Å; T244-M246 PolarHBondContact O-N 3.03Å; M246-I248 VanDerWaalsContact C-N 3.3Å; M246-I248 PolarHBondContact O-N 3.2Å; M246-I348 HydrophobicContact CB-CD1 4.31Å; M246-I348 HydrophobicContact CB-CG1 4.38Å; M246-I348 HydrophobicContact CB-CG2 3.88Å; M246-I348 HydrophobicContact CG-CG2 3.88Å; M246-I348 WeakPolarHBondContact O-CG1 3.31Å; M246-I348 HydrophobicContact SD-CG2 4.03Å; M246-Y392 HydrophobicContact CG-CE1 3.77Å; M246-P398 HydrophobicContact CE-CB 3.92Å; M246-P398 HydrophobicContact CE-CG 4Å; M246-V411 HydrophobicContact CE-CG1 4.11Å; M246-V411 HydrophobicContact SD-CG1 3.64Å; M246-T413 HydrophobicContact CE-CG2 3.68Å; M246-V494 HydrophobicContact CE-CG1 4.41Å; M246-V494 HydrophobicContact CE-CG2 4.32Å; M246-V494 HydrophobicContact SD-CG1 4.31Å
247	G	98	Very high	98.2	Very high	8 Å²	8	44.3 Å²	44.3	8%	0.082	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	19.4	-179.4	0	0	0	0	0	114.7	A243 T244 K245 Q253	A243-G247 PolarHBondContact O-N 3.36Å; T244-G247 PolarHBondContact O-N 2.9Å; K245-G247 PolarHBondContact O-N 3.06Å; G247-Q253 PolarHBondContact O-NE2 3.39Å
248	I	98.5	Very high	98.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.			trans	-106.5	114.9	176.2	-57.8	-56.7	0	0	0	109.9	R128 V234 I237 A243 T244 M246 Q253 V255 I348 L495	R128-I248 HydrophobicContact CB-CD1 4.09Å; V234-I248 HydrophobicContact CB-CG2 4.41Å; V234-I248 HydrophobicContact CG1-CG2 4.05Å; V234-I248 HydrophobicContact CG2-CD1 4.31Å; V234-I248 HydrophobicContact CG2-CG2 3.69Å; I237-I248 HydrophobicContact CD1-CG2 4.37Å; A243-I248 CarbonylContact C-O 3.09Å; A243-I248 HydrophobicContact CB-CB 4.28Å; A243-I248 HydrophobicContact CB-CG2 4.48Å; A243-I248 PolarHBondContact O-N 2.64Å; A243-I248 VanDerWaalsContact O-O 3.11Å; T244-I248 WeakPolarHBondContact CA-O 3.04Å; T244-I248 PolarHBondContact N-O 3.39Å; M246-I248 VanDerWaalsContact C-N 3.3Å; M246-I248 PolarHBondContact O-N 3.2Å; I248-Q253 HydrophobicContact CD1-CG 4.25Å; I248-V255 HydrophobicContact CD1-CG1 3.84Å; I248-I348 HydrophobicContact CD1-CD1 4.1Å; I248-I348 HydrophobicContact CG1-CD1 4.01Å; I248-L495 HydrophobicContact CB-CD1 4.26Å; I248-L495 HydrophobicContact CB-CD2 4.45Å; I248-L495 HydrophobicContact CG1-CD1 3.82Å; I248-L495 HydrophobicContact CG2-CD1 4.25Å; I248-L495 HydrophobicContact CG2-CD2 3.91Å
249	N	94.9	Very high	98.1	Very high	93 Å²	93	39 Å²	39	50%	0.497	19%	0.194	S	C	.	.			trans	-113.3	-17.9	-170.5	-66.5	-56.9	0	0	0	114.6	T244	T244-N249 PolarHBondContact OG1-OD1 2.89Å
250	H	97.9	Very high	98	Very high	80 Å²	80	36.4 Å²	36.4	37%	0.37	18%	0.18	S	C	.	.	S	Bend	trans	-157.6	165.3	-172.6	55.4	-76.3	0	0	0	111.8	N132	N132-H250 PolarHBondContact OD1-CD2 2.67Å; N132-H250 PolarHBondContact OD1-NE2 2.94Å
251	L	98.6	Very high	98	Very high	89 Å²	89	29.2 Å²	29.2	47%	0.466	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	154.6	175	-55.2	-176.9	0	0	0	110.9	V234 I237 Q253	V234-L251 HydrophobicContact CG1-CD2 4.29Å; I237-L251 HydrophobicContact CD1-CD2 4.09Å; I237-L251 HydrophobicContact CG1-CD2 3.94Å; L251-Q253 PolarHBondContact O-N 3.04Å
252	N	98.6	Very high	98	Very high	70 Å²	70	24.5 Å²	24.5	37%	0.374	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	7.6	-178.9	-54.7	-60.9	0	0	0	115.7	N132 L133 V234	N132-N252 CarbonylContact C-O 3.31Å; N132-N252 WeakPolarHBondContact CA-O 3.18Å; L133-N252 HydrophobicContact CB-CB 3.85Å; L133-N252 PolarHBondContact N-O 3.19Å; V234-N252 PolarHBondContact O-N 3.12Å
253	Q	98.8	Very high	97.8	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.9	167.5	-171.9	172.8	-14.3	0	0	109.6	T129 V233 V234 G247 I248 L251	T129-Q253 WeakPolarHBondContact O-CG 3.4Å; T129-Q253 PolarHBondContact O-NE2 3.2Å; V233-Q253 WeakPolarHBondContact CA-O 3.14Å; V234-Q253 HydrophobicContact CG2-CB 4.18Å; V234-Q253 PolarHBondContact N-O 3.35Å; G247-Q253 PolarHBondContact O-NE2 3.39Å; I248-Q253 HydrophobicContact CD1-CG 4.25Å; L251-Q253 PolarHBondContact O-N 3.04Å
254	V	98.7	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.3	-176	173	0	0	0	0	109.7	T129 L131 V136 I231 Q232 V233	T129-V254 PolarHBondContact N-O 3.36Å; T129-V254 PolarHBondContact OG1-O 2.74Å; L131-V254 HydrophobicContact CB-CB 4.19Å; L131-V254 HydrophobicContact CB-CG2 4.37Å; L131-V254 PolarHBondContact O-N 2.75Å; V136-V254 HydrophobicContact CB-CG2 4.34Å; V136-V254 HydrophobicContact CG2-CB 4.27Å; V136-V254 HydrophobicContact CG2-CG1 4.06Å; V136-V254 HydrophobicContact CG2-CG2 3.57Å; I231-V254 HydrophobicContact CG2-CG1 3.79Å; Q232-V254 WeakPolarHBondContact O-CA 3.47Å; V233-V254 HydrophobicContact CG1-CG2 3.97Å
255	V	98.8	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.2	175.3	-56.8	0	0	0	0	109.7	L126 I127 Q232 V234 I248 L497	L126-V255 HydrophobicContact CD1-CB 3.95Å; L126-V255 HydrophobicContact CD1-CG2 3.8Å; I127-V255 CarbonylContact O-C 3.55Å; I127-V255 VanDerWaalsContact O-CA 3.26Å; I127-V255 WeakPolarHBondContact O-CA 3.39Å; I127-V255 WeakPolarHBondContact O-CB 3.22Å; Q232-V255 HydrophobicContact CB-CG2 3.86Å; Q232-V255 PolarHBondContact N-O 3.2Å; Q232-V255 PolarHBondContact O-N 3.08Å; V234-V255 HydrophobicContact CG2-CG1 4.45Å; I248-V255 HydrophobicContact CD1-CG1 3.84Å; V255-L497 HydrophobicContact CG2-CD1 4.02Å; V255-L497 HydrophobicContact CG2-CD2 4.06Å
256	L	98.6	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121	175	178.4	74.5	0	0	0	109.6	I127 L147 E230 I231 I258 A328 F332	I127-L256 HydrophobicContact CB-CB 4.32Å; I127-L256 HydrophobicContact CD1-CD2 3.97Å; I127-L256 HydrophobicContact CD1-CG 4.48Å; I127-L256 PolarHBondContact N-O 3.1Å; I127-L256 PolarHBondContact O-N 3.15Å; L147-L256 HydrophobicContact CD1-CD1 4.12Å; E230-L256 CarbonylContact O-C 3.55Å; E230-L256 WeakPolarHBondContact O-CA 3.45Å; I231-L256 HydrophobicContact CG1-CD1 4.22Å; L256-I258 HydrophobicContact CD2-CD1 4.33Å; L256-I258 HydrophobicContact CD2-CG1 4.38Å; L256-I258 HydrophobicContact CG-CG1 4.36Å; L256-A328 HydrophobicContact CD2-CB 3.3Å; L256-F332 HydrophobicContact CD1-CE2 4.47Å; L256-F332 HydrophobicContact CD2-CE2 4.22Å
257	M	98.6	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.1	174.6	-172.3	173.1	-73.1	0	0	110	V124 R125 L126 Y228 A229 E230 L497	V124-M257 HydrophobicContact CG1-CE 4.28Å; V124-M257 HydrophobicContact CG1-CG 3.45Å; V124-M257 VanDerWaalsContact CG1-CG 3.45Å; V124-M257 HydrophobicContact CG1-SD 3.67Å; R125-M257 CarbonylContact O-C 3.55Å; R125-M257 WeakPolarHBondContact O-CA 3.32Å; L126-M257 HydrophobicContact CD1-CB 3.98Å; L126-M257 HydrophobicContact CD1-CE 3.98Å; Y228-M257 HydrophobicContact CE2-CB 4.47Å; Y228-M257 HydrophobicContact CE2-CG 4.07Å; Y228-M257 HydrophobicContact CE2-SD 4.11Å; A229-M257 CarbonylContact C-O 3.58Å; A229-M257 VanDerWaalsContact CA-O 3.24Å; A229-M257 WeakPolarHBondContact CA-O 3.38Å; E230-M257 PolarHBondContact N-O 2.9Å; E230-M257 PolarHBondContact O-N 3.49Å; M257-L497 HydrophobicContact CE-CD1 3.96Å
258	I	97.8	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.6	175.7	-60.1	175.5	0	0	0	108.2	V124 R125 I127 A229 L256 M324	V124-I258 CarbonylContact C-O 3.5Å; V124-I258 WeakPolarHBondContact CA-O 3.27Å; R125-I258 PolarHBondContact N-O 3.17Å; R125-I258 PolarHBondContact O-N 3.1Å; I127-I258 HydrophobicContact CD1-CD1 3.79Å; I127-I258 HydrophobicContact CD1-CG1 4.42Å; A229-I258 HydrophobicContact CB-CG1 4.15Å; L256-I258 HydrophobicContact CD2-CD1 4.33Å; L256-I258 HydrophobicContact CD2-CG1 4.38Å; L256-I258 HydrophobicContact CG-CG1 4.36Å; I258-M324 HydrophobicContact CD1-CB 4.06Å; I258-M324 HydrophobicContact CG2-CB 4.24Å; I258-M324 HydrophobicContact CG2-CE 3.72Å; I258-M324 HydrophobicContact CG2-SD 4.09Å
259	H	97.4	Very high	97.6	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.046	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.4	175.4	-175.8	-174.3	0	0	0	110.1	C122 G123 V124 N226 H227 Y228 H353	C122-H259 PolarHBondContact SG-NE2 3.21Å; C122-H259 VanDerWaalsContact SG-NE2 3.44Å; G123-H259 PolarHBondContact O-CD2 3.23Å; G123-H259 VanDerWaalsContact O-CD2 3.31Å; V124-H259 HydrophobicContact CG2-CB 4.38Å; N226-H259 PolarHBondContact ND2-CE1 2.9Å; H227-H259 VanDerWaalsContact CA-O 3.25Å; H227-H259 WeakPolarHBondContact CA-O 3.22Å; H227-H259 WeakPolarHBondContact CB-O 3.25Å; Y228-H259 HydrophobicContact CD1-CB 4.13Å; Y228-H259 HydrophobicContact CD2-CB 4.05Å; Y228-H259 HydrophobicContact CE1-CB 3.86Å; Y228-H259 AromaticContact CE1-ND1 3.55Å; Y228-H259 HydrophobicContact CE2-CB 3.81Å; Y228-H259 HydrophobicContact CG-CB 4.22Å; Y228-H259 AromaticContact CZ-ND1 3.98Å; Y228-H259 PolarHBondContact N-O 3.02Å; Y228-H259 PolarHBondContact O-N 3.14Å; H259-H353 AromaticContact CD2-NE2 3.73Å; H259-H353 AromaticContact CE1-NE2 3.89Å; H259-H353 AromaticContact NE2-CE1 3.55Å; H259-H353 AromaticContact NE2-NE2 2.93Å; H259-H353 PolarHBondContact NE2-NE2 2.91Å
260	C	96.1	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	165.1	177.9	-162.9	0	0	0	0	112.2	G123 T221 L222 N320 R321 M324	G123-C260 PolarHBondContact N-O 3.33Å; G123-C260 PolarHBondContact O-N 3.22Å; T221-C260 PolarHBondContact O-SG 3.47Å; L222-C260 PolarHBondContact O-SG 3.5Å; C260-N320 PolarHBondContact SG-ND2 3.33Å; C260-R321 HydrophobicContact CB-CG 4.44Å; C260-R321 PolarHBondContact O-NH1 2.78Å; C260-M324 HydrophobicContact CB-CE 3.31Å; C260-M324 HydrophobicContact CB-SD 4.42Å
261	G	96.8	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.			trans	-130.6	-149.2	177.9	0	0	0	0	0	114.9	D119 R263 N320	D119-G261 WeakPolarHBondContact OD1-CA 3.48Å; G261-R263 PolarHBondContact O-N 2.78Å; G261-N320 PolarHBondContact O-ND2 3Å; G261-N320 VanDerWaalsContact O-ND2 3.16Å
262	S	97.6	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.			trans	-85.9	9.7	-174.5	55.6	0	0	0	0	114	D119 I120 M265 G266 A313 Y316	D119-S262 PolarHBondContact OD1-N 3.44Å; D119-S262 PolarHBondContact OD1-OG 3.03Å; I120-S262 PolarHBondContact N-OG 3.35Å; I120-S262 WeakPolarHBondContact O-CB 3.36Å; I120-S262 PolarHBondContact O-N 2.98Å; I120-S262 PolarHBondContact O-OG 3.27Å; S262-M265 WeakPolarHBondContact O-CB 3.41Å; S262-M265 PolarHBondContact O-N 2.57Å; S262-G266 PolarHBondContact O-N 2.94Å; S262-G266 VanDerWaalsContact OG-CA 3.23Å; S262-G266 WeakPolarHBondContact OG-CA 3.11Å; S262-G266 PolarHBondContact OG-N 3.48Å; S262-A313 WeakPolarHBondContact CB-O 3.36Å; S262-Y316 WeakPolarHBondContact O-CE1 3.35Å
263	R	95.4	Very high	97.7	Very high	28 Å²	28	11.6 Å²	11.6	11%	0.106	6%	0.061	C	C	.	.	H	α-helix	trans	57.7	-147.7	173.1	-51.1	-56.5	-52.9	111.2	15.7	111.4	Q218 T221 H227 G261 M265 Y316	Q218-R263 HydrophobicContact CB-CB 4.11Å; Q218-R263 HydrophobicContact CB-CG 4.36Å; T221-R263 WeakPolarHBondContact O-CD 3.49Å; H227-R263 PolarHBondContact ND1-NH1 3.43Å; G261-R263 PolarHBondContact O-N 2.78Å; R263-M265 PolarHBondContact O-N 2.84Å; R263-Y316 HydrophobicContact CB-CE1 4.12Å; R263-Y316 HydrophobicContact CG-CE1 3.96Å
264	G	95.5	Very high	97.6	Very high	6 Å²	6	12 Å²	12	6%	0.062	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-16.6	178.1	0	0	0	0	0	114.1	R214 Q268	R214-G264 PolarHBondContact NE-O 3.01Å; G264-Q268 PolarHBondContact O-N 3.43Å
265	M	96.7	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-71.5	-58.7	-178.7	-174.3	179.5	-71.9	0	0	111.5	L168 L172 V207 A211 S262 R263 H267 Q268 V269 Y316	L168-M265 HydrophobicContact CD1-CE 3.83Å; L168-M265 HydrophobicContact CD2-CE 3.9Å; L168-M265 HydrophobicContact CG-CE 4.24Å; L172-M265 HydrophobicContact CD1-CE 4.49Å; L172-M265 HydrophobicContact CD1-SD 4.38Å; L172-M265 HydrophobicContact CD2-CE 4.08Å; L172-M265 HydrophobicContact CD2-SD 3.44Å; L172-M265 WeakPolarHBondContact CD2-SD 3.08Å; V207-M265 HydrophobicContact CG1-CG 4.45Å; V207-M265 HydrophobicContact CG1-SD 4.47Å; A211-M265 HydrophobicContact CB-CG 4.23Å; S262-M265 WeakPolarHBondContact O-CB 3.41Å; S262-M265 PolarHBondContact O-N 2.57Å; R263-M265 PolarHBondContact O-N 2.84Å; M265-H267 PolarHBondContact O-N 3.02Å; M265-Q268 WeakPolarHBondContact O-CA 3.18Å; M265-Q268 WeakPolarHBondContact O-CB 3.13Å; M265-Q268 PolarHBondContact O-N 2.96Å; M265-V269 PolarHBondContact O-N 2.88Å; M265-Y316 HydrophobicContact CE-CD2 3.54Å; M265-Y316 HydrophobicContact CE-CE2 3.67Å; M265-Y316 HydrophobicContact CE-CG 4.29Å; M265-Y316 HydrophobicContact SD-CD2 3.67Å; M265-Y316 HydrophobicContact SD-CE2 4.28Å; M265-Y316 HydrophobicContact SD-CG 3.83Å
266	G	98.1	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-34.5	-179	0	0	0	0	0	112.4	F118 S262 Q268 V269 A270	F118-G266 CarbonylContact O-C 3.59Å; S262-G266 PolarHBondContact O-N 2.94Å; S262-G266 VanDerWaalsContact OG-CA 3.23Å; S262-G266 WeakPolarHBondContact OG-CA 3.11Å; S262-G266 PolarHBondContact OG-N 3.48Å; G266-Q268 VanDerWaalsContact C-N 3.26Å; G266-Q268 PolarHBondContact O-N 3.49Å; G266-V269 PolarHBondContact O-N 2.8Å; G266-A270 PolarHBondContact O-N 2.85Å
267	H	97.9	Very high	97.4	Very high	77 Å²	77	17.6 Å²	17.6	36%	0.356	10%	0.102	S	C	.	.	H	α-helix	trans	-57.7	-42.7	172.7	-174.7	-52.9	0	0	0	111.2	F118 M265 T271	F118-H267 HydrophobicContact CB-CB 4.49Å; F118-H267 AromaticContact CD1-CE1 3.67Å; F118-H267 AromaticContact CD1-ND1 3.81Å; F118-H267 AromaticContact CD1-NE2 3.89Å; F118-H267 WeakPolarHBondContact O-CA 3.49Å; F118-H267 PolarHBondContact O-N 3.18Å; M265-H267 PolarHBondContact O-N 3.02Å; H267-T271 PolarHBondContact ND1-OG1 2.9Å; H267-T271 WeakPolarHBondContact O-CB 3.37Å; H267-T271 PolarHBondContact O-N 3.16Å; H267-T271 PolarHBondContact O-OG1 3.37Å
268	Q	98.4	Very high	97.2	Very high	3 Å²	3	20 Å²	20	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-70.1	-41.1	178.3	-167.5	64	59.6	0	0	111.4	R210 A211 G264 M265 G266 A270 T271 D272	R210-Q268 HydrophobicContact CB-CG 4.29Å; R210-Q268 HydrophobicContact CG-CG 3.99Å; A211-Q268 HydrophobicContact CB-CB 3.71Å; A211-Q268 HydrophobicContact CB-CG 3.79Å; G264-Q268 PolarHBondContact O-N 3.43Å; M265-Q268 WeakPolarHBondContact O-CA 3.18Å; M265-Q268 WeakPolarHBondContact O-CB 3.13Å; M265-Q268 PolarHBondContact O-N 2.96Å; G266-Q268 VanDerWaalsContact C-N 3.26Å; G266-Q268 PolarHBondContact O-N 3.49Å; Q268-A270 PolarHBondContact O-N 3.1Å; Q268-T271 WeakPolarHBondContact O-CB 3.44Å; Q268-T271 PolarHBondContact O-N 2.74Å; Q268-T271 VanDerWaalsContact O-N 3.11Å; Q268-D272 PolarHBondContact NE2-OD1 2.71Å; Q268-D272 WeakPolarHBondContact O-CB 3.48Å; Q268-D272 PolarHBondContact O-N 2.78Å
269	V	98.6	Very high	97.1	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.036	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-47.7	174.4	170.9	0	0	0	0	111.4	I120 V207 A211 M265 G266 T271 D272 A273 A309 A313	I120-V269 HydrophobicContact CD1-CB 4.01Å; I120-V269 HydrophobicContact CD1-CG1 3.77Å; V207-V269 HydrophobicContact CG1-CG2 4Å; A211-V269 HydrophobicContact CB-CG2 4.07Å; M265-V269 PolarHBondContact O-N 2.88Å; G266-V269 PolarHBondContact O-N 2.8Å; V269-T271 VanDerWaalsContact C-N 3.34Å; V269-T271 PolarHBondContact O-N 2.93Å; V269-D272 PolarHBondContact O-N 2.92Å; V269-A273 WeakPolarHBondContact O-CB 3.37Å; V269-A273 PolarHBondContact O-N 2.88Å; V269-A309 HydrophobicContact CG1-CB 3.76Å; V269-A313 HydrophobicContact CG2-CB 4.33Å
270	A	98.2	Very high	97.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-41.1	175.8	0	0	0	0	0	112	F118 G266 Q268 A273 L274	F118-A270 HydrophobicContact CD1-CB 3.9Å; F118-A270 HydrophobicContact CE1-CB 4.46Å; F118-A270 HydrophobicContact CG-CB 4.39Å; G266-A270 PolarHBondContact O-N 2.85Å; Q268-A270 PolarHBondContact O-N 3.1Å; A270-A273 PolarHBondContact O-N 3.42Å; A270-L274 VanDerWaalsContact O-CG 3.27Å; A270-L274 WeakPolarHBondContact O-CG 3.07Å; A270-L274 PolarHBondContact O-N 2.86Å
271	T	97.9	Very high	97.1	Very high	44 Å²	44	27.6 Å²	27.6	27%	0.27	15%	0.146	S	C	.	.	H	α-helix	trans	-63.6	-45.1	178.4	-55.1	0	0	0	0	111.6	H267 Q268 V269 L274 V275	H267-T271 PolarHBondContact ND1-OG1 2.9Å; H267-T271 WeakPolarHBondContact O-CB 3.37Å; H267-T271 PolarHBondContact O-N 3.16Å; H267-T271 PolarHBondContact O-OG1 3.37Å; Q268-T271 WeakPolarHBondContact O-CB 3.44Å; Q268-T271 PolarHBondContact O-N 2.74Å; Q268-T271 VanDerWaalsContact O-N 3.11Å; V269-T271 VanDerWaalsContact C-N 3.34Å; V269-T271 PolarHBondContact O-N 2.93Å; T271-L274 PolarHBondContact O-N 3.38Å; T271-V275 PolarHBondContact O-N 2.99Å
272	D	98	Very high	97.1	Very high	54 Å²	54	36.1 Å²	36.1	29%	0.289	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-42.3	-179.4	-63.4	-16.1	0	0	0	110.3	S208 Q268 V269 V275 A276	S208-D272 WeakPolarHBondContact CB-OD2 3.29Å; S208-D272 PolarHBondContact OG-OD2 3.25Å; Q268-D272 PolarHBondContact NE2-OD1 2.71Å; Q268-D272 WeakPolarHBondContact O-CB 3.48Å; Q268-D272 PolarHBondContact O-N 2.78Å; V269-D272 PolarHBondContact O-N 2.92Å; D272-V275 PolarHBondContact O-N 2.78Å; D272-A276 PolarHBondContact O-N 3.42Å; D272-A276 VanDerWaalsContact O-N 3.17Å
273	A	98.1	Very high	97	Very high	10 Å²	10	42.3 Å²	42.3	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-41.3	176.9	0	0	0	0	0	112.9	P113 V269 A270 V275 A276 M277 Y306	P113-A273 HydrophobicContact CB-CB 4.41Å; P113-A273 HydrophobicContact CG-CB 3.62Å; V269-A273 WeakPolarHBondContact O-CB 3.37Å; V269-A273 PolarHBondContact O-N 2.88Å; A270-A273 PolarHBondContact O-N 3.42Å; A273-V275 VanDerWaalsContact C-N 3.29Å; A273-V275 PolarHBondContact O-N 3.5Å; A273-A276 PolarHBondContact O-N 3.48Å; A273-M277 WeakPolarHBondContact O-CB 3.48Å; A273-M277 VanDerWaalsContact O-CG 3.26Å; A273-M277 WeakPolarHBondContact O-CG 3.48Å; A273-M277 PolarHBondContact O-N 2.83Å; A273-Y306 HydrophobicContact CB-CD2 3.35Å; A273-Y306 HydrophobicContact CB-CE2 4Å; A273-Y306 HydrophobicContact CB-CG 3.94Å
274	L	96.9	Very high	97	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-43.1	176	-74.4	169.9	0	0	0	111.5	Y92 P113 F118 A270 T271 A276 M277 E278 A294	Y92-L274 HydrophobicContact CE1-CD1 3.7Å; Y92-L274 HydrophobicContact CE1-CD2 3.89Å; Y92-L274 HydrophobicContact CE1-CG 4.48Å; P113-L274 HydrophobicContact CB-CD2 4.12Å; P113-L274 HydrophobicContact CB-CG 4.16Å; P113-L274 HydrophobicContact CG-CD2 4.32Å; P113-L274 HydrophobicContact CG-CG 4.46Å; F118-L274 HydrophobicContact CE1-CD1 3.87Å; F118-L274 HydrophobicContact CZ-CD1 3.61Å; A270-L274 VanDerWaalsContact O-CG 3.27Å; A270-L274 WeakPolarHBondContact O-CG 3.07Å; A270-L274 PolarHBondContact O-N 2.86Å; T271-L274 PolarHBondContact O-N 3.38Å; L274-A276 PolarHBondContact O-N 3.24Å; L274-M277 PolarHBondContact O-N 3.25Å; L274-E278 WeakPolarHBondContact O-CG 3.43Å; L274-E278 PolarHBondContact O-N 3.22Å; L274-A294 HydrophobicContact CD2-CB 3.88Å
275	V	96.3	Very high	97	Very high	79 Å²	79	51.8 Å²	51.8	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-40.6	177.8	174.8	0	0	0	0	111.8	T271 D272 A273	T271-V275 PolarHBondContact O-N 2.99Å; D272-V275 PolarHBondContact O-N 2.78Å; A273-V275 VanDerWaalsContact C-N 3.29Å; A273-V275 PolarHBondContact O-N 3.5Å
276	A	96.9	Very high	97	Very high	38 Å²	38	52.6 Å²	52.6	31%	0.314	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-44.2	176.2	0	0	0	0	0	111.5	D272 A273 L274 K279 A280 E302	D272-A276 PolarHBondContact O-N 3.42Å; D272-A276 VanDerWaalsContact O-N 3.17Å; A273-A276 PolarHBondContact O-N 3.48Å; L274-A276 PolarHBondContact O-N 3.24Å; A276-K279 WeakPolarHBondContact O-CB 3.14Å; A276-K279 PolarHBondContact O-N 3.12Å; A276-K279 VanDerWaalsContact O-N 3.12Å; A276-A280 PolarHBondContact O-N 2.92Å; A276-E302 HydrophobicContact CB-CG 4.48Å
277	M	97.7	Very high	96.7	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-71.9	-32.7	-176.5	-69	-172.8	-175	0	0	113.1	V111 P113 A273 L274 K279 A280 M281 A294 A296 Y306	V111-M277 HydrophobicContact CG1-CE 3.93Å; P113-M277 WeakPolarHBondContact CD-SD 3.39Å; P113-M277 HydrophobicContact CG-CE 4Å; P113-M277 HydrophobicContact CG-SD 3.69Å; A273-M277 WeakPolarHBondContact O-CB 3.48Å; A273-M277 VanDerWaalsContact O-CG 3.26Å; A273-M277 WeakPolarHBondContact O-CG 3.48Å; A273-M277 PolarHBondContact O-N 2.83Å; L274-M277 PolarHBondContact O-N 3.25Å; M277-K279 PolarHBondContact O-N 2.94Å; M277-A280 PolarHBondContact O-N 2.86Å; M277-A280 VanDerWaalsContact O-N 3.12Å; M277-M281 VanDerWaalsContact O-CG 3.27Å; M277-M281 WeakPolarHBondContact O-CG 3.27Å; M277-M281 PolarHBondContact O-N 3.05Å; M277-A294 HydrophobicContact CB-CB 4.44Å; M277-A296 HydrophobicContact CE-CB 4.3Å; M277-A296 HydrophobicContact CG-CB 3.87Å; M277-A296 HydrophobicContact SD-CB 4.21Å; M277-Y306 VanDerWaalsContact CE-CB 3.48Å; M277-Y306 HydrophobicContact CE-CD1 3.67Å; M277-Y306 HydrophobicContact CE-CG 3.66Å
278	E	95.7	Very high	96.6	Very high	50 Å²	50	58.2 Å²	58.2	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-31.1	170	-78.4	-170.7	169.7	0	0	112.5	L274 R291 A294	L274-E278 WeakPolarHBondContact O-CG 3.43Å; L274-E278 PolarHBondContact O-N 3.22Å; E278-R291 VanDerWaalsContact CD-NH2 3.3Å; E278-R291 IonicContact OE1-CZ 2.67Å; E278-R291 VanDerWaalsContact OE1-CZ 3.29Å; E278-R291 IonicContact OE1-NE 2.68Å; E278-R291 PolarHBondContact OE1-NE 2.78Å; E278-R291 IonicContact OE1-NH2 3.75Å; E278-R291 PolarHBondContact OE1-NH2 2.77Å; E278-R291 IonicContact OE2-CZ 3.87Å; E278-R291 IonicContact OE2-NE 3.67Å; E278-R291 IonicContact OE2-NH2 3.73Å; E278-R291 PolarHBondContact OE2-NH2 3.49Å; E278-A294 HydrophobicContact CG-CB 4.09Å
279	K	95.7	Very high	96.4	Very high	149 Å²	149	60.6 Å²	60.6	65%	0.648	30%	0.295	S	S	*	.	H	α-helix	trans	-78.1	-43.6	174	-60.8	175.9	-176.8	177.3	0	111.3	A276 M277 M281 K282 R283	A276-K279 WeakPolarHBondContact O-CB 3.14Å; A276-K279 PolarHBondContact O-N 3.12Å; A276-K279 VanDerWaalsContact O-N 3.12Å; M277-K279 PolarHBondContact O-N 2.94Å; K279-M281 VanDerWaalsContact C-N 3.34Å; K279-M281 PolarHBondContact O-N 3.03Å; K279-K282 PolarHBondContact O-N 3.01Å; K279-R283 PolarHBondContact O-N 2.7Å; K279-R283 VanDerWaalsContact O-N 3.13Å
280	A	96.7	Very high	96.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-43.9	178.1	0	0	0	0	0	111.9	A276 M277 K282 R283 D284 A296 E302	A276-A280 PolarHBondContact O-N 2.92Å; M277-A280 PolarHBondContact O-N 2.86Å; M277-A280 VanDerWaalsContact O-N 3.12Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.31Å; A280-R283 WeakPolarHBondContact O-CB 3.43Å; A280-R283 PolarHBondContact O-N 3.21Å; A280-R283 VanDerWaalsContact O-N 3.11Å; A280-D284 WeakPolarHBondContact O-CB 3.36Å; A280-D284 PolarHBondContact O-N 3.16Å; A280-A296 HydrophobicContact CB-CB 4.05Å; A280-E302 HydrophobicContact CB-CB 4.46Å; A280-E302 HydrophobicContact CB-CG 4.12Å
281	M	96.9	Very high	95.9	Very high	21 Å²	21	70.2 Å²	70.2	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-40.2	177.3	-68.2	175.6	70.4	0	0	113.2	M277 K279 K285 I286 V288 A294 C295	M277-M281 VanDerWaalsContact O-CG 3.27Å; M277-M281 WeakPolarHBondContact O-CG 3.27Å; M277-M281 PolarHBondContact O-N 3.05Å; K279-M281 VanDerWaalsContact C-N 3.34Å; K279-M281 PolarHBondContact O-N 3.03Å; M281-K285 WeakPolarHBondContact O-CA 3.31Å; M281-K285 PolarHBondContact O-N 3.29Å; M281-I286 HydrophobicContact CB-CB 4.25Å; M281-I286 HydrophobicContact CE-CB 4.48Å; M281-I286 HydrophobicContact CE-CG2 4.26Å; M281-I286 WeakPolarHBondContact CE-O 3.32Å; M281-I286 HydrophobicContact CG-CB 4.17Å; M281-I286 PolarHBondContact O-N 2.93Å; M281-V288 HydrophobicContact CE-CB 4.04Å; M281-V288 HydrophobicContact CE-CG1 3.54Å; M281-V288 HydrophobicContact CE-CG2 3.35Å; M281-A294 WeakPolarHBondContact SD-CA 3.38Å; M281-A294 HydrophobicContact SD-CB 4.1Å; M281-C295 WeakPolarHBondContact CG-O 3.31Å; M281-C295 PolarHBondContact SD-N 3.37Å
282	K	95.5	Very high	95.7	Very high	178 Å²	178	70.8 Å²	70.8	77%	0.774	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-40.4	176.8	-69.5	179.3	-176.8	-179.1	0	111.5	K279 A280	K279-K282 PolarHBondContact O-N 3.01Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.31Å
283	R	96.1	Very high	95.6	Very high	130 Å²	130	68.2 Å²	68.2	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-48.6	176.2	-178.8	-168.1	66.8	-148.1	-10.1	111.1	K279 A280 K285 E302	K279-R283 PolarHBondContact O-N 2.7Å; K279-R283 VanDerWaalsContact O-N 3.13Å; A280-R283 WeakPolarHBondContact O-CB 3.43Å; A280-R283 PolarHBondContact O-N 3.21Å; A280-R283 VanDerWaalsContact O-N 3.11Å; R283-K285 VanDerWaalsContact C-N 3.33Å; R283-E302 IonicContact CZ-OE1 2.94Å; R283-E302 IonicContact CZ-OE2 3.44Å; R283-E302 IonicContact NH1-OE1 2.84Å; R283-E302 PolarHBondContact NH1-OE1 2.85Å; R283-E302 IonicContact NH1-OE2 2.99Å; R283-E302 PolarHBondContact NH1-OE2 2.9Å; R283-E302 IonicContact NH2-OE1 3.79Å; R283-E302 PolarHBondContact NH2-OE1 3.06Å; R283-E302 IonicContact NH2-OE2 3.44Å; R283-E302 PolarHBondContact NH2-OE2 2.83Å
284	D	96	Very high	95.6	Very high	51 Å²	51	67.8 Å²	67.8	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-90.5	0.9	-170.7	-59.7	-20.3	0	0	0	112.8	A280 I286 H297	A280-D284 WeakPolarHBondContact O-CB 3.36Å; A280-D284 PolarHBondContact O-N 3.16Å; D284-I286 VanDerWaalsContact C-N 3.26Å; D284-I286 HydrophobicContact CB-CD1 4.19Å; D284-I286 HydrophobicContact CB-CG1 4.03Å; D284-I286 PolarHBondContact O-N 3.31Å; D284-H297 IonicContact OD2-CD2 3.4Å
285	K	95.5	Very high	95.6	Very high	182 Å²	182	67.1 Å²	67.1	79%	0.791	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.3	-178.4	-54.9	179	-177.2	178.2	0	112.6	M281 R283 E287	M281-K285 WeakPolarHBondContact O-CA 3.31Å; M281-K285 PolarHBondContact O-N 3.29Å; R283-K285 VanDerWaalsContact C-N 3.33Å; K285-E287 PolarHBondContact O-N 3.05Å
286	I	95.5	Very high	95.7	Very high	17 Å²	17	63.4 Å²	63.4	9%	0.087	29%	0.289	C	S	.	.			trans	-78.9	112.1	174	-57.7	173.5	0	0	0	108	P76 V110 M281 D284 V288	P76-I286 HydrophobicContact CG-CG2 4.22Å; V110-I286 HydrophobicContact CG1-CD1 4.34Å; M281-I286 HydrophobicContact CB-CB 4.25Å; M281-I286 HydrophobicContact CE-CB 4.48Å; M281-I286 HydrophobicContact CE-CG2 4.26Å; M281-I286 WeakPolarHBondContact CE-O 3.32Å; M281-I286 HydrophobicContact CG-CB 4.17Å; M281-I286 PolarHBondContact O-N 2.93Å; D284-I286 VanDerWaalsContact C-N 3.26Å; D284-I286 HydrophobicContact CB-CD1 4.19Å; D284-I286 HydrophobicContact CB-CG1 4.03Å; D284-I286 PolarHBondContact O-N 3.31Å; I286-V288 HydrophobicContact CG2-CG1 4.27Å
287	E	93.4	Very high	95.8	Very high	157 Å²	157	63.6 Å²	63.6	73%	0.734	28%	0.283	S	S	*	.			trans	-91.9	133.8	174	-66.2	-175.1	176.1	0	0	110.5	K285	K285-E287 PolarHBondContact O-N 3.05Å
288	V	95.2	Very high	95.8	Very high	39 Å²	39	63.8 Å²	63.8	24%	0.236	28%	0.284	C	S	.	.			trans	-132.1	152	176.7	-64.6	0	0	0	0	109.8	L75 M281 I286 D290 L293	L75-V288 HydrophobicContact CD2-CG1 3.86Å; M281-V288 HydrophobicContact CE-CB 4.04Å; M281-V288 HydrophobicContact CE-CG1 3.54Å; M281-V288 HydrophobicContact CE-CG2 3.35Å; I286-V288 HydrophobicContact CG2-CG1 4.27Å; V288-D290 WeakPolarHBondContact CG2-O 3.33Å; V288-D290 PolarHBondContact O-N 3.05Å; V288-L293 HydrophobicContact CB-CB 4.19Å; V288-L293 HydrophobicContact CG1-CB 4.29Å; V288-L293 HydrophobicContact CG2-CB 4.42Å
289	N	93.7	Very high	95.9	Very high	52 Å²	52	66.4 Å²	66.4	28%	0.278	30%	0.3	S	S	.	.	S	Bend	trans	-72.9	-17.8	179.3	-65.4	-17.8	0	0	0	113.4	V27 P28 N71	V27-N289 WeakPolarHBondContact CG2-ND2 3.01Å; P28-N289 PolarHBondContact O-ND2 3.26Å; N71-N289 HydrophobicContact CB-CB 4.28Å; N71-N289 VanDerWaalsContact OD1-CB 3.25Å; N71-N289 WeakPolarHBondContact OD1-CB 3.38Å; N71-N289 PolarHBondContact OD1-ND2 3.44Å
290	D	93.5	Very high	95.9	Very high	32 Å²	32	60.2 Å²	60.2	17%	0.171	28%	0.276	C	S	.	.	S	Bend	trans	-142.9	129.1	-178.3	-175.6	-19.8	0	0	0	109.4	V288 Q292 L293	V288-D290 WeakPolarHBondContact CG2-O 3.33Å; V288-D290 PolarHBondContact O-N 3.05Å; D290-Q292 PolarHBondContact O-N 3.26Å; D290-Q292 VanDerWaalsContact O-N 3.14Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.24Å; D290-Q292 WeakPolarHBondContact OD1-CG 3.36Å; D290-Q292 PolarHBondContact OD1-N 3.44Å; D290-L293 HydrophobicContact CB-CD1 4.4Å; D290-L293 HydrophobicContact CB-CG 4.35Å; D290-L293 WeakPolarHBondContact O-CB 3.32Å; D290-L293 PolarHBondContact O-N 2.9Å
291	R	92.2	Very high	96	Very high	177 Å²	177	66.8 Å²	66.8	67%	0.668	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.5	-29.1	177.2	-177.6	178.9	171.9	-179.8	1.2	112.6	E278 L293 A294	E278-R291 VanDerWaalsContact CD-NH2 3.3Å; E278-R291 IonicContact OE1-CZ 2.67Å; E278-R291 VanDerWaalsContact OE1-CZ 3.29Å; E278-R291 IonicContact OE1-NE 2.68Å; E278-R291 PolarHBondContact OE1-NE 2.78Å; E278-R291 IonicContact OE1-NH2 3.75Å; E278-R291 PolarHBondContact OE1-NH2 2.77Å; E278-R291 IonicContact OE2-CZ 3.87Å; E278-R291 IonicContact OE2-NE 3.67Å; E278-R291 IonicContact OE2-NH2 3.73Å; E278-R291 PolarHBondContact OE2-NH2 3.49Å; R291-L293 PolarHBondContact O-N 3.37Å; R291-A294 PolarHBondContact O-N 3.31Å
292	Q	94.7	Very high	96	Very high	57 Å²	57	67.6 Å²	67.6	27%	0.266	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68.7	-11.3	176.9	-59.2	-174.3	-7.5	0	0	113.4	Y92 G93 D290 A294	Y92-Q292 HydrophobicContact CD1-CB 4Å; Y92-Q292 HydrophobicContact CD2-CB 4.28Å; Y92-Q292 HydrophobicContact CD2-CG 3.98Å; Y92-Q292 HydrophobicContact CE1-CB 3.81Å; Y92-Q292 HydrophobicContact CE1-CG 4.26Å; Y92-Q292 WeakPolarHBondContact CE1-O 3.23Å; Y92-Q292 HydrophobicContact CE2-CB 4.12Å; Y92-Q292 HydrophobicContact CE2-CG 3.66Å; Y92-Q292 HydrophobicContact CG-CB 4.23Å; Y92-Q292 HydrophobicContact CG-CG 4.42Å; G93-Q292 VanDerWaalsContact N-CB 3.33Å; D290-Q292 PolarHBondContact O-N 3.26Å; D290-Q292 VanDerWaalsContact O-N 3.14Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.24Å; D290-Q292 WeakPolarHBondContact OD1-CG 3.36Å; D290-Q292 PolarHBondContact OD1-N 3.44Å; Q292-A294 PolarHBondContact O-N 2.93Å
293	L	96.4	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-85.2	30	169.4	-67.4	177	0	0	0	112.8	N71 V72 L75 G93 F94 V288 D290 R291 C295	N71-L293 HydrophobicContact CB-CD1 3.56Å; V72-L293 HydrophobicContact CG2-CD2 3.95Å; L75-L293 HydrophobicContact CD1-CD2 4.43Å; L75-L293 HydrophobicContact CD2-CB 4.33Å; L75-L293 HydrophobicContact CD2-CD1 4.48Å; G93-L293 VanDerWaalsContact C-CD2 3.44Å; F94-L293 HydrophobicContact CD2-CD2 3.44Å; F94-L293 VanDerWaalsContact CD2-CD2 3.44Å; F94-L293 HydrophobicContact CE2-CD2 3.62Å; F94-L293 HydrophobicContact CG-CD2 4.49Å; V288-L293 HydrophobicContact CB-CB 4.19Å; V288-L293 HydrophobicContact CG1-CB 4.29Å; V288-L293 HydrophobicContact CG2-CB 4.42Å; D290-L293 HydrophobicContact CB-CD1 4.4Å; D290-L293 HydrophobicContact CB-CG 4.35Å; D290-L293 WeakPolarHBondContact O-CB 3.32Å; D290-L293 PolarHBondContact O-N 2.9Å; R291-L293 PolarHBondContact O-N 3.37Å; L293-C295 PolarHBondContact O-N 3.44Å
294	A	97.2	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.266	C	S	.	.			trans	-52.5	129.7	175.9	0	0	0	0	0	110.8	S112 L274 M277 E278 M281 R291 Q292	S112-A294 WeakPolarHBondContact CB-O 3.41Å; S112-A294 PolarHBondContact OG-O 3.2Å; L274-A294 HydrophobicContact CD2-CB 3.88Å; M277-A294 HydrophobicContact CB-CB 4.44Å; E278-A294 HydrophobicContact CG-CB 4.09Å; M281-A294 WeakPolarHBondContact SD-CA 3.38Å; M281-A294 HydrophobicContact SD-CB 4.1Å; R291-A294 PolarHBondContact O-N 3.31Å; Q292-A294 PolarHBondContact O-N 2.93Å
295	C	98	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.264	C	S	.	.			trans	-152.7	164.4	-172.9	60.8	0	0	0	0	111.7	V110 V111 M281 L293	V110-C295 HydrophobicContact CB-CB 4.01Å; V110-C295 HydrophobicContact CG2-CB 4.2Å; V111-C295 VanDerWaalsContact O-CA 3.25Å; V111-C295 WeakPolarHBondContact O-CA 3.24Å; V111-C295 VanDerWaalsContact O-CB 3.25Å; V111-C295 WeakPolarHBondContact O-CB 3.32Å; M281-C295 WeakPolarHBondContact CG-O 3.31Å; M281-C295 PolarHBondContact SD-N 3.37Å; L293-C295 PolarHBondContact O-N 3.44Å
296	A	98.2	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	159.1	169.6	0	0	0	0	0	109.3	V110 V111 M277 A280 I298 E302	V110-A296 CarbonylContact C-O 3Å; V110-A296 WeakPolarHBondContact CA-O 3.33Å; V110-A296 WeakPolarHBondContact CB-O 3.21Å; V111-A296 PolarHBondContact N-O 3.44Å; V111-A296 PolarHBondContact O-N 2.99Å; V111-A296 VanDerWaalsContact O-N 3.13Å; M277-A296 HydrophobicContact CE-CB 4.3Å; M277-A296 HydrophobicContact CG-CB 3.87Å; M277-A296 HydrophobicContact SD-CB 4.21Å; A280-A296 HydrophobicContact CB-CB 4.05Å; A296-I298 PolarHBondContact O-N 3.08Å; A296-E302 HydrophobicContact CB-CB 4.04Å
297	H	98.3	Very high	96.7	Very high	42 Å²	42	47.6 Å²	47.6	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	138.2	170.4	-67.4	-53.6	0	0	0	110.2	P107 K108 S109 D284 N299 S300	P107-H297 PolarHBondContact O-ND1 3.03Å; K108-H297 PolarHBondContact O-ND1 3.11Å; K108-H297 VanDerWaalsContact O-ND1 3.15Å; S109-H297 CarbonylContact O-C 3.6Å; S109-H297 WeakPolarHBondContact O-CA 3.22Å; D284-H297 IonicContact OD2-CD2 3.4Å; H297-N299 PolarHBondContact O-N 3.45Å; H297-N299 VanDerWaalsContact O-N 3.15Å; H297-S300 PolarHBondContact O-N 2.87Å; H297-S300 PolarHBondContact O-OG 3.33Å
298	I	98.1	Very high	97	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-40.8	-175.8	-67.4	172.9	0	0	0	111	F102 S109 V110 V111 A296 Q304 L307 L371	F102-I298 HydrophobicContact CB-CD1 4.07Å; S109-I298 PolarHBondContact O-N 3Å; V110-I298 VanDerWaalsContact C-CG1 3.48Å; V111-I298 HydrophobicContact CB-CG1 4.27Å; A296-I298 PolarHBondContact O-N 3.08Å; I298-Q304 PolarHBondContact O-NE2 3Å; I298-L307 HydrophobicContact CG2-CD1 4.15Å; I298-L371 HydrophobicContact CD1-CB 3.9Å; I298-L371 HydrophobicContact CD1-CD2 3.71Å; I298-L371 HydrophobicContact CD1-CG 4.47Å; I298-L371 HydrophobicContact CG1-CD2 3.84Å
299	N	96.5	Very high	97.1	Very high	105 Å²	105	41.8 Å²	41.8	56%	0.561	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	3.7	-176	-61.5	-31.2	0	0	0	113.8	H297	H297-N299 PolarHBondContact O-N 3.45Å; H297-N299 VanDerWaalsContact O-N 3.15Å
300	S	97.3	Very high	97.4	Very high	19 Å²	19	39.3 Å²	39.3	13%	0.133	18%	0.184	C	C	.	.	S	Bend	trans	-74.7	164.2	172.4	88.6	0	0	0	0	111	H297 E302 G303 Q304	H297-S300 PolarHBondContact O-N 2.87Å; H297-S300 PolarHBondContact O-OG 3.33Å; S300-E302 VanDerWaalsContact C-N 3.31Å; S300-E302 WeakPolarHBondContact CB-OE2 3.31Å; S300-E302 PolarHBondContact O-N 2.97Å; S300-E302 PolarHBondContact OG-N 2.76Å; S300-E302 PolarHBondContact OG-OE2 2.79Å; S300-G303 PolarHBondContact O-N 2.84Å; S300-G303 PolarHBondContact OG-N 3.47Å; S300-G303 VanDerWaalsContact OG-N 3.16Å; S300-Q304 WeakPolarHBondContact O-CG 3.44Å; S300-Q304 PolarHBondContact O-N 2.77Å
301	E	97.7	Very high	97.6	Very high	139 Å²	139	37.8 Å²	37.8	65%	0.65	18%	0.176	S	C	*	.	H	α-helix	trans	-55.4	-47	173.5	-175.3	178.4	176.3	0	0	111.1	G303 Q304 D305	E301-G303 PolarHBondContact O-N 2.95Å; E301-Q304 PolarHBondContact O-N 3.25Å; E301-D305 VanDerWaalsContact O-CB 3.23Å; E301-D305 WeakPolarHBondContact O-CB 3.43Å; E301-D305 PolarHBondContact O-N 2.58Å
302	E	98	Very high	97.9	Very high	38 Å²	38	29.4 Å²	29.4	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-37.3	179.4	-56.1	86	172.9	0	0	112.8	A276 A280 R283 A296 S300 Y306	A276-E302 HydrophobicContact CB-CG 4.48Å; A280-E302 HydrophobicContact CB-CB 4.46Å; A280-E302 HydrophobicContact CB-CG 4.12Å; R283-E302 IonicContact CZ-OE1 2.94Å; R283-E302 IonicContact CZ-OE2 3.44Å; R283-E302 IonicContact NH1-OE1 2.84Å; R283-E302 PolarHBondContact NH1-OE1 2.85Å; R283-E302 IonicContact NH1-OE2 2.99Å; R283-E302 PolarHBondContact NH1-OE2 2.9Å; R283-E302 IonicContact NH2-OE1 3.79Å; R283-E302 PolarHBondContact NH2-OE1 3.06Å; R283-E302 IonicContact NH2-OE2 3.44Å; R283-E302 PolarHBondContact NH2-OE2 2.83Å; A296-E302 HydrophobicContact CB-CB 4.04Å; S300-E302 VanDerWaalsContact C-N 3.31Å; S300-E302 WeakPolarHBondContact CB-OE2 3.31Å; S300-E302 PolarHBondContact O-N 2.97Å; S300-E302 PolarHBondContact OG-N 2.76Å; S300-E302 PolarHBondContact OG-OE2 2.79Å; E302-Y306 WeakPolarHBondContact O-CB 3.49Å; E302-Y306 PolarHBondContact O-N 2.87Å
303	G	98.2	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-48.7	177.2	0	0	0	0	0	111.9	S300 E301 Y306 L307	S300-G303 PolarHBondContact O-N 2.84Å; S300-G303 PolarHBondContact OG-N 3.47Å; S300-G303 VanDerWaalsContact OG-N 3.16Å; E301-G303 PolarHBondContact O-N 2.95Å; G303-Y306 PolarHBondContact O-N 3.39Å; G303-L307 WeakPolarHBondContact O-CG 3.34Å; G303-L307 PolarHBondContact O-N 3.4Å
304	Q	98.3	Very high	98.2	Very high	71 Å²	71	26.7 Å²	26.7	33%	0.332	13%	0.131	S	C	.	.	H	α-helix	trans	-67.8	-42.3	178.9	-69.8	-61.9	-50.4	0	0	112.3	I298 S300 E301 Y306 L307 K308	I298-Q304 PolarHBondContact O-NE2 3Å; S300-Q304 WeakPolarHBondContact O-CG 3.44Å; S300-Q304 PolarHBondContact O-N 2.77Å; E301-Q304 PolarHBondContact O-N 3.25Å; Q304-Y306 VanDerWaalsContact C-N 3.32Å; Q304-Y306 PolarHBondContact O-N 2.9Å; Q304-L307 PolarHBondContact O-N 3.39Å; Q304-K308 VanDerWaalsContact O-CG 3.31Å; Q304-K308 WeakPolarHBondContact O-CG 3.37Å; Q304-K308 PolarHBondContact O-N 2.48Å
305	D	98.6	Very high	98.3	Very high	43 Å²	43	26.7 Å²	26.7	23%	0.23	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-41.9	177.1	-81.5	6.1	0	0	0	111.3	K206 E301 A309	K206-D305 HydrophobicContact CD-CB 4.28Å; K206-D305 WeakPolarHBondContact CD-OD1 3.44Å; K206-D305 WeakPolarHBondContact CE-OD1 3.39Å; K206-D305 IonicContact NZ-OD1 3.29Å; K206-D305 PolarHBondContact NZ-OD1 3.07Å; K206-D305 IonicContact NZ-OD2 3.82Å; K206-D305 PolarHBondContact NZ-OD2 3.06Å; E301-D305 VanDerWaalsContact O-CB 3.23Å; E301-D305 WeakPolarHBondContact O-CB 3.43Å; E301-D305 PolarHBondContact O-N 2.58Å; D305-A309 VanDerWaalsContact O-CB 3.31Å; D305-A309 WeakPolarHBondContact O-CB 3.47Å; D305-A309 PolarHBondContact O-N 3.06Å
306	Y	98.7	Very high	98.3	Very high	6 Å²	6	26.7 Å²	26.7	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-45.4	173.6	170.3	-114.5	0	0	0	112.3	V111 P113 V116 I120 A273 M277 E302 G303 Q304 K308 A309 M310	V111-Y306 HydrophobicContact CG1-CD1 4.29Å; V111-Y306 HydrophobicContact CG2-CD1 3.51Å; V111-Y306 HydrophobicContact CG2-CE1 3.54Å; P113-Y306 WeakPolarHBondContact CA-OH 3.48Å; P113-Y306 HydrophobicContact CB-CE1 4.46Å; P113-Y306 HydrophobicContact CB-CE2 4.02Å; P113-Y306 HydrophobicContact CG-CD1 4.29Å; P113-Y306 HydrophobicContact CG-CD2 4.15Å; P113-Y306 HydrophobicContact CG-CE1 4.09Å; P113-Y306 HydrophobicContact CG-CE2 3.93Å; P113-Y306 HydrophobicContact CG-CG 4.32Å; V116-Y306 VanDerWaalsContact CB-OH 3.3Å; V116-Y306 WeakPolarHBondContact CB-OH 3.27Å; V116-Y306 HydrophobicContact CG2-CE1 4.48Å; V116-Y306 VanDerWaalsContact CG2-OH 3.24Å; V116-Y306 WeakPolarHBondContact CG2-OH 3.49Å; I120-Y306 HydrophobicContact CD1-CE2 4.5Å; A273-Y306 HydrophobicContact CB-CD2 3.35Å; A273-Y306 HydrophobicContact CB-CE2 4Å; A273-Y306 HydrophobicContact CB-CG 3.94Å; M277-Y306 VanDerWaalsContact CE-CB 3.48Å; M277-Y306 HydrophobicContact CE-CD1 3.67Å; M277-Y306 HydrophobicContact CE-CG 3.66Å; E302-Y306 WeakPolarHBondContact O-CB 3.49Å; E302-Y306 PolarHBondContact O-N 2.87Å; G303-Y306 PolarHBondContact O-N 3.39Å; Q304-Y306 VanDerWaalsContact C-N 3.32Å; Q304-Y306 PolarHBondContact O-N 2.9Å; Y306-K308 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 3.21Å; Y306-A309 PolarHBondContact O-N 2.85Å; Y306-M310 HydrophobicContact CD2-CB 4.44Å; Y306-M310 HydrophobicContact CE1-SD 4.33Å; Y306-M310 HydrophobicContact CE2-CB 4.01Å; Y306-M310 WeakPolarHBondContact O-CB 3.19Å; Y306-M310 PolarHBondContact O-N 3.43Å
307	L	98.7	Very high	98.3	Very high	17 Å²	17	26.7 Å²	26.7	9%	0.089	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-40.8	-179.4	-75	171.9	0	0	0	112.1	V111 I298 G303 Q304 M310 A311 L371	V111-L307 HydrophobicContact CG2-CD2 3.88Å; V111-L307 HydrophobicContact CG2-CG 4.26Å; I298-L307 HydrophobicContact CG2-CD1 4.15Å; G303-L307 WeakPolarHBondContact O-CG 3.34Å; G303-L307 PolarHBondContact O-N 3.4Å; Q304-L307 PolarHBondContact O-N 3.39Å; L307-M310 HydrophobicContact CD2-CE 4.05Å; L307-A311 WeakPolarHBondContact O-CB 3.44Å; L307-A311 PolarHBondContact O-N 3.16Å; L307-L371 HydrophobicContact CD1-CD2 4.43Å; L307-L371 HydrophobicContact CD2-CD1 3.98Å; L307-L371 HydrophobicContact CD2-CD2 4.12Å
308	K	98.7	Very high	98.3	Very high	70 Å²	70	24.7 Å²	24.7	30%	0.304	12%	0.122	S	C	.	.	H	α-helix	trans	-68	-42.3	175.8	-66	174.5	173.9	-175.8	0	112.5	Q201 D203 K206 Q304 Y306 A311 A312	Q201-K308 WeakPolarHBondContact O-CG 3.49Å; D203-K308 HydrophobicContact CB-CB 3.72Å; D203-K308 HydrophobicContact CB-CD 3.92Å; D203-K308 HydrophobicContact CB-CG 4.21Å; D203-K308 PolarHBondContact N-O 3.42Å; K206-K308 HydrophobicContact CB-CB 4.46Å; K206-K308 HydrophobicContact CG-CB 4.21Å; K206-K308 HydrophobicContact CG-CD 4.31Å; Q304-K308 VanDerWaalsContact O-CG 3.31Å; Q304-K308 WeakPolarHBondContact O-CG 3.37Å; Q304-K308 PolarHBondContact O-N 2.48Å; Y306-K308 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 3.21Å; K308-A311 PolarHBondContact O-N 3.08Å; K308-A312 PolarHBondContact O-N 2.94Å
309	A	98.8	Very high	98.3	Very high	5 Å²	5	24.4 Å²	24.4	4%	0.041	12%	0.121	C	C	.	.	H	α-helix	trans	-68.3	-36.2	176.3	0	0	0	0	0	112.4	K206 V207 V269 D305 Y306 A312 A313	K206-A309 HydrophobicContact CB-CB 4.03Å; V207-A309 HydrophobicContact CG2-CB 4.24Å; V269-A309 HydrophobicContact CG1-CB 3.76Å; D305-A309 VanDerWaalsContact O-CB 3.31Å; D305-A309 WeakPolarHBondContact O-CB 3.47Å; D305-A309 PolarHBondContact O-N 3.06Å; Y306-A309 PolarHBondContact O-N 2.85Å; A309-A312 PolarHBondContact O-N 3.02Å; A309-A313 PolarHBondContact O-N 2.86Å
310	M	98.8	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-44.1	173.7	178.7	-158	71.6	0	0	110.6	V116 I120 M199 Y306 L307 A312 A313 A314 A356	V116-M310 HydrophobicContact CG1-CG 4.43Å; V116-M310 HydrophobicContact CG1-SD 4.17Å; V116-M310 HydrophobicContact CG2-SD 3.85Å; I120-M310 HydrophobicContact CD1-CB 4.37Å; I120-M310 HydrophobicContact CD1-CG 4.19Å; I120-M310 HydrophobicContact CG2-CG 3.66Å; M199-M310 HydrophobicContact CE-CE 3.94Å; Y306-M310 HydrophobicContact CD2-CB 4.44Å; Y306-M310 HydrophobicContact CE1-SD 4.33Å; Y306-M310 HydrophobicContact CE2-CB 4.01Å; Y306-M310 WeakPolarHBondContact O-CB 3.19Å; Y306-M310 PolarHBondContact O-N 3.43Å; L307-M310 HydrophobicContact CD2-CE 4.05Å; M310-A312 VanDerWaalsContact C-N 3.34Å; M310-A312 PolarHBondContact O-N 3.48Å; M310-A313 PolarHBondContact O-N 3.25Å; M310-A314 WeakPolarHBondContact O-CB 3.5Å; M310-A314 PolarHBondContact O-N 3.13Å; M310-A356 HydrophobicContact CE-CB 4.11Å; M310-A356 WeakPolarHBondContact CE-O 3.2Å; M310-A356 HydrophobicContact SD-CB 3.83Å
311	A	98.8	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-42.3	174.4	0	0	0	0	0	111.8	M199 Q201 A202 L307 K308 A314 N315	M199-A311 HydrophobicContact CB-CB 3.7Å; M199-A311 HydrophobicContact CE-CB 4.07Å; M199-A311 HydrophobicContact SD-CB 4.25Å; Q201-A311 HydrophobicContact CG-CB 3.84Å; A202-A311 HydrophobicContact CB-CB 3.97Å; L307-A311 WeakPolarHBondContact O-CB 3.44Å; L307-A311 PolarHBondContact O-N 3.16Å; K308-A311 PolarHBondContact O-N 3.08Å; A311-A314 WeakPolarHBondContact O-CB 3.18Å; A311-A314 PolarHBondContact O-N 2.93Å; A311-N315 VanDerWaalsContact O-CG 3.31Å; A311-N315 PolarHBondContact O-N 2.84Å; A311-N315 PolarHBondContact O-OD1 3.21Å
312	A	98.8	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-42.3	173.5	0	0	0	0	0	112.7	L172 A202 V207 K308 A309 M310 A314 N315 Y316	L172-A312 HydrophobicContact CB-CB 4.18Å; L172-A312 HydrophobicContact CD2-CB 4.49Å; L172-A312 WeakPolarHBondContact CD2-O 3.45Å; A202-A312 HydrophobicContact CB-CB 4.12Å; V207-A312 HydrophobicContact CG2-CB 3.55Å; K308-A312 PolarHBondContact O-N 2.94Å; A309-A312 PolarHBondContact O-N 3.02Å; M310-A312 VanDerWaalsContact C-N 3.34Å; M310-A312 PolarHBondContact O-N 3.48Å; A312-A314 VanDerWaalsContact C-N 3.3Å; A312-A314 PolarHBondContact O-N 3.31Å; A312-N315 WeakPolarHBondContact O-CB 3.25Å; A312-N315 PolarHBondContact O-N 2.8Å; A312-Y316 PolarHBondContact O-N 3.25Å
313	A	98.7	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66	-32.3	173.9	0	0	0	0	0	112.6	I120 S262 V269 A309 M310 Y316 A317	I120-A313 HydrophobicContact CB-CB 4.1Å; I120-A313 HydrophobicContact CD1-CB 4.02Å; I120-A313 HydrophobicContact CG2-CB 3.98Å; S262-A313 WeakPolarHBondContact CB-O 3.36Å; V269-A313 HydrophobicContact CG2-CB 4.33Å; A309-A313 PolarHBondContact O-N 2.86Å; M310-A313 PolarHBondContact O-N 3.25Å; A313-Y316 WeakPolarHBondContact O-CB 3.45Å; A313-Y316 PolarHBondContact O-N 3.25Å; A313-A317 PolarHBondContact O-N 3.4Å; A313-A317 VanDerWaalsContact O-N 3.15Å
314	A	98.8	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.8	-45.3	173.7	0	0	0	0	0	111.4	I120 N121 M199 M310 A311 A312 Y316 A317 W318 I355	I120-A314 HydrophobicContact CG2-CB 4.46Å; N121-A314 HydrophobicContact CB-CB 3.78Å; N121-A314 PolarHBondContact ND2-O 2.91Å; M199-A314 HydrophobicContact SD-CB 3.74Å; M310-A314 WeakPolarHBondContact O-CB 3.5Å; M310-A314 PolarHBondContact O-N 3.13Å; A311-A314 WeakPolarHBondContact O-CB 3.18Å; A311-A314 PolarHBondContact O-N 2.93Å; A312-A314 VanDerWaalsContact C-N 3.3Å; A312-A314 PolarHBondContact O-N 3.31Å; A314-Y316 VanDerWaalsContact C-N 3.32Å; A314-Y316 PolarHBondContact O-N 2.94Å; A314-A317 WeakPolarHBondContact O-CB 3.43Å; A314-A317 PolarHBondContact O-N 3.4Å; A314-W318 HydrophobicContact CB-CE3 4.37Å; A314-W318 HydrophobicContact CB-CH2 4.24Å; A314-W318 HydrophobicContact CB-CZ3 3.8Å; A314-W318 VanDerWaalsContact O-CE3 3.25Å; A314-W318 PolarHBondContact O-N 2.67Å; A314-W318 VanDerWaalsContact O-N 3.12Å; A314-I355 HydrophobicContact CB-CD1 3.72Å
315	N	98.7	Very high	98.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-55.3	-46.5	172.7	-70.4	-3.1	0	0	0	111.5	L172 E173 R198 M199 A202 A311 A312 A317 W318 V319	L172-N315 VanDerWaalsContact O-CB 3.24Å; L172-N315 WeakPolarHBondContact O-CB 3.49Å; L172-N315 PolarHBondContact O-ND2 3.37Å; E173-N315 PolarHBondContact O-ND2 2.79Å; R198-N315 WeakPolarHBondContact CA-OD1 3.46Å; M199-N315 PolarHBondContact N-OD1 2.75Å; M199-N315 PolarHBondContact O-ND2 3.1Å; A202-N315 WeakPolarHBondContact CB-ND2 3.42Å; A311-N315 VanDerWaalsContact O-CG 3.31Å; A311-N315 PolarHBondContact O-N 2.84Å; A311-N315 PolarHBondContact O-OD1 3.21Å; A312-N315 WeakPolarHBondContact O-CB 3.25Å; A312-N315 PolarHBondContact O-N 2.8Å; N315-A317 VanDerWaalsContact C-N 3.31Å; N315-A317 PolarHBondContact O-N 3.08Å; N315-W318 PolarHBondContact O-N 3.21Å; N315-V319 WeakPolarHBondContact O-CG2 3.17Å; N315-V319 PolarHBondContact O-N 3.01Å
316	Y	98.3	Very high	98.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-55.1	-43.5	173.7	-179.2	-83.8	0	0	0	112.8	L168 L172 G215 Q218 L219 S262 R263 M265 A312 A313 A314 V319 N320	L168-Y316 HydrophobicContact CD1-CD2 3.84Å; L168-Y316 HydrophobicContact CD1-CE2 3.86Å; L172-Y316 HydrophobicContact CD2-CD2 4.18Å; L172-Y316 HydrophobicContact CD2-CG 4.4Å; G215-Y316 PolarHBondContact O-OH 3.09Å; Q218-Y316 VanDerWaalsContact C-OH 3.24Å; L219-Y316 WeakPolarHBondContact CA-OH 3.44Å; L219-Y316 HydrophobicContact CB-CE2 4.07Å; L219-Y316 HydrophobicContact CD1-CD1 4.36Å; L219-Y316 HydrophobicContact CD1-CD2 3.77Å; L219-Y316 HydrophobicContact CD1-CE1 4.08Å; L219-Y316 HydrophobicContact CD1-CE2 3.44Å; L219-Y316 VanDerWaalsContact CD1-CE2 3.44Å; L219-Y316 HydrophobicContact CD1-CG 4.23Å; L219-Y316 HydrophobicContact CG-CE2 4.33Å; L219-Y316 PolarHBondContact N-OH 2.88Å; S262-Y316 WeakPolarHBondContact O-CE1 3.35Å; R263-Y316 HydrophobicContact CB-CE1 4.12Å; R263-Y316 HydrophobicContact CG-CE1 3.96Å; M265-Y316 HydrophobicContact CE-CD2 3.54Å; M265-Y316 HydrophobicContact CE-CE2 3.67Å; M265-Y316 HydrophobicContact CE-CG 4.29Å; M265-Y316 HydrophobicContact SD-CD2 3.67Å; M265-Y316 HydrophobicContact SD-CE2 4.28Å; M265-Y316 HydrophobicContact SD-CG 3.83Å; A312-Y316 PolarHBondContact O-N 3.25Å; A313-Y316 WeakPolarHBondContact O-CB 3.45Å; A313-Y316 PolarHBondContact O-N 3.25Å; A314-Y316 VanDerWaalsContact C-N 3.32Å; A314-Y316 PolarHBondContact O-N 2.94Å; Y316-V319 PolarHBondContact O-N 3.19Å; Y316-N320 HydrophobicContact CE1-CB 4.48Å; Y316-N320 WeakPolarHBondContact O-CB 2.98Å; Y316-N320 PolarHBondContact O-N 3.22Å
317	A	98.4	Very high	98.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.6	-39.1	-179.4	0	0	0	0	0	112.7	N121 A313 A314 N315 N320 R321	N121-A317 HydrophobicContact CB-CB 3.7Å; N121-A317 WeakPolarHBondContact O-CB 3.11Å; A313-A317 PolarHBondContact O-N 3.4Å; A313-A317 VanDerWaalsContact O-N 3.15Å; A314-A317 WeakPolarHBondContact O-CB 3.43Å; A314-A317 PolarHBondContact O-N 3.4Å; N315-A317 VanDerWaalsContact C-N 3.31Å; N315-A317 PolarHBondContact O-N 3.08Å; A317-N320 WeakPolarHBondContact O-CB 3.41Å; A317-N320 PolarHBondContact O-N 3.11Å; A317-R321 PolarHBondContact O-N 3.45Å
318	W	98.5	Very high	98.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67	-39.5	174.4	-74.9	-58.7	0	0	0	112.2	M176 C193 E194 E195 G197 M199 A314 N315 N320 R321 S322 D350	M176-W318 HydrophobicContact CG-CB 3.99Å; M176-W318 HydrophobicContact SD-CB 4.38Å; C193-W318 PolarHBondContact SG-NE1 3.08Å; C193-W318 VanDerWaalsContact SG-NE1 3.41Å; E194-W318 HydrophobicContact CG-CZ2 4.48Å; E194-W318 WeakPolarHBondContact O-CZ2 3.43Å; E195-W318 HydrophobicContact CB-CH2 3.79Å; E195-W318 HydrophobicContact CB-CZ2 4.14Å; E195-W318 HydrophobicContact CB-CZ3 4.43Å; E195-W318 HydrophobicContact CG-CH2 3.82Å; E195-W318 HydrophobicContact CG-CZ2 4.2Å; G197-W318 VanDerWaalsContact C-CE3 3.47Å; M199-W318 HydrophobicContact CB-CZ3 4.44Å; M199-W318 HydrophobicContact CG-CH2 3.82Å; M199-W318 HydrophobicContact CG-CZ3 3.76Å; M199-W318 HydrophobicContact SD-CH2 4.1Å; M199-W318 HydrophobicContact SD-CZ3 4.25Å; A314-W318 HydrophobicContact CB-CE3 4.37Å; A314-W318 HydrophobicContact CB-CH2 4.24Å; A314-W318 HydrophobicContact CB-CZ3 3.8Å; A314-W318 VanDerWaalsContact O-CE3 3.25Å; A314-W318 PolarHBondContact O-N 2.67Å; A314-W318 VanDerWaalsContact O-N 3.12Å; N315-W318 PolarHBondContact O-N 3.21Å; W318-N320 VanDerWaalsContact C-N 3.3Å; W318-N320 PolarHBondContact O-N 3.42Å; W318-R321 VanDerWaalsContact NE1-NH2 3.13Å; W318-R321 PolarHBondContact O-N 2.9Å; W318-S322 VanDerWaalsContact O-CB 3.24Å; W318-S322 WeakPolarHBondContact O-CB 3.39Å; W318-S322 PolarHBondContact O-N 2.94Å; W318-S322 PolarHBondContact O-OG 3.13Å; W318-D350 PolarHBondContact NE1-OD1 3.18Å
319	V	97.8	Very high	98	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.8	-43	171.1	176.7	0	0	0	0	109.9	A171 G175 W178 L219 N315 Y316 S322 S323	A171-V319 HydrophobicContact CB-CG1 4.42Å; A171-V319 HydrophobicContact CB-CG2 4.28Å; G175-V319 VanDerWaalsContact C-CG2 3.44Å; G175-V319 WeakPolarHBondContact O-CG2 3.43Å; W178-V319 HydrophobicContact CE3-CG1 3.79Å; W178-V319 HydrophobicContact CZ3-CG1 3.88Å; L219-V319 HydrophobicContact CD1-CB 4.26Å; L219-V319 HydrophobicContact CD1-CG1 3.88Å; L219-V319 HydrophobicContact CD2-CG1 3.88Å; L219-V319 HydrophobicContact CG-CG1 4.32Å; N315-V319 WeakPolarHBondContact O-CG2 3.17Å; N315-V319 PolarHBondContact O-N 3.01Å; Y316-V319 PolarHBondContact O-N 3.19Å; V319-S322 WeakPolarHBondContact O-CB 3.24Å; V319-S322 PolarHBondContact O-N 2.62Å; V319-S323 WeakPolarHBondContact O-CB 3.41Å; V319-S323 PolarHBondContact O-N 3.21Å; V319-S323 PolarHBondContact O-OG 2.72Å
320	N	97.6	Very high	97.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.9	-47.4	178	-171.2	38.6	0	0	0	112.4	L219 G220 T221 C260 G261 Y316 A317 W318 S322 S323 M324	L219-N320 HydrophobicContact CD1-CB 4.1Å; G220-N320 WeakPolarHBondContact CA-OD1 3.43Å; G220-N320 PolarHBondContact N-OD1 2.83Å; T221-N320 PolarHBondContact N-OD1 3.39Å; T221-N320 PolarHBondContact O-ND2 3.37Å; T221-N320 PolarHBondContact O-OD1 2.62Å; C260-N320 PolarHBondContact SG-ND2 3.33Å; G261-N320 PolarHBondContact O-ND2 3Å; G261-N320 VanDerWaalsContact O-ND2 3.16Å; Y316-N320 HydrophobicContact CE1-CB 4.48Å; Y316-N320 WeakPolarHBondContact O-CB 2.98Å; Y316-N320 PolarHBondContact O-N 3.22Å; A317-N320 WeakPolarHBondContact O-CB 3.41Å; A317-N320 PolarHBondContact O-N 3.11Å; W318-N320 VanDerWaalsContact C-N 3.3Å; W318-N320 PolarHBondContact O-N 3.42Å; N320-S322 VanDerWaalsContact C-N 3.31Å; N320-S322 PolarHBondContact O-N 3.4Å; N320-S323 WeakPolarHBondContact O-CB 3.5Å; N320-S323 PolarHBondContact O-N 3.4Å; N320-M324 PolarHBondContact O-N 3.23Å
321	R	98	Very high	97.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.7	-34.8	175.5	-71.6	-165.9	-67	-89.1	8.7	112.6	N121 C260 A317 W318 M324 T325 D350	N121-R321 PolarHBondContact ND2-NH2 3.21Å; N121-R321 PolarHBondContact O-NH1 3.45Å; N121-R321 PolarHBondContact OD1-NH2 3.04Å; C260-R321 HydrophobicContact CB-CG 4.44Å; C260-R321 PolarHBondContact O-NH1 2.78Å; A317-R321 PolarHBondContact O-N 3.45Å; W318-R321 VanDerWaalsContact NE1-NH2 3.13Å; W318-R321 PolarHBondContact O-N 2.9Å; R321-M324 HydrophobicContact CG-CE 4.24Å; R321-M324 PolarHBondContact O-N 3.41Å; R321-T325 PolarHBondContact O-N 2.94Å; R321-T325 PolarHBondContact O-OG1 2.91Å; R321-D350 IonicContact CZ-OD1 3.11Å; R321-D350 VanDerWaalsContact CZ-OD1 3.26Å; R321-D350 IonicContact CZ-OD2 2.95Å; R321-D350 VanDerWaalsContact NE-CG 3.3Å; R321-D350 IonicContact NE-OD1 3Å; R321-D350 PolarHBondContact NE-OD1 3.03Å; R321-D350 IonicContact NE-OD2 2.84Å; R321-D350 PolarHBondContact NE-OD2 3.5Å; R321-D350 IonicContact NH2-OD1 3.25Å; R321-D350 PolarHBondContact NH2-OD1 3.07Å; R321-D350 IonicContact NH2-OD2 3.07Å
322	S	97.4	Very high	97.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.4	-46.7	174.5	-65.4	0	0	0	0	112.3	R125 M176 W318 V319 N320 M324 T325 F326	R125-S322 PolarHBondContact NH1-OG 2.99Å; R125-S322 PolarHBondContact NH2-OG 3.29Å; M176-S322 WeakPolarHBondContact CG-OG 3.34Å; M176-S322 PolarHBondContact SD-OG 2.84Å; W318-S322 VanDerWaalsContact O-CB 3.24Å; W318-S322 WeakPolarHBondContact O-CB 3.39Å; W318-S322 PolarHBondContact O-N 2.94Å; W318-S322 PolarHBondContact O-OG 3.13Å; V319-S322 WeakPolarHBondContact O-CB 3.24Å; V319-S322 PolarHBondContact O-N 2.62Å; N320-S322 VanDerWaalsContact C-N 3.31Å; N320-S322 PolarHBondContact O-N 3.4Å; S322-M324 VanDerWaalsContact C-N 3.33Å; S322-M324 PolarHBondContact O-N 3.22Å; S322-T325 VanDerWaalsContact O-CB 3.32Å; S322-T325 WeakPolarHBondContact O-CB 3.22Å; S322-T325 PolarHBondContact O-N 2.85Å; S322-T325 VanDerWaalsContact O-N 3.1Å; S322-F326 PolarHBondContact O-N 3.28Å
323	S	96.5	Very high	97.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-55.5	-46.8	171.6	-59.9	0	0	0	0	111.9	I161 V319 N320 T325 F326 L327	I161-S323 WeakPolarHBondContact CD1-OG 3.45Å; V319-S323 WeakPolarHBondContact O-CB 3.41Å; V319-S323 PolarHBondContact O-N 3.21Å; V319-S323 PolarHBondContact O-OG 2.72Å; N320-S323 WeakPolarHBondContact O-CB 3.5Å; N320-S323 PolarHBondContact O-N 3.4Å; S323-T325 VanDerWaalsContact C-N 3.32Å; S323-T325 PolarHBondContact O-N 3.48Å; S323-F326 WeakPolarHBondContact O-CB 3.25Å; S323-F326 PolarHBondContact O-N 3.43Å; S323-L327 VanDerWaalsContact O-CG 3.25Å; S323-L327 WeakPolarHBondContact O-CG 3.36Å; S323-L327 PolarHBondContact O-N 3.39Å; S323-L327 VanDerWaalsContact O-N 3.08Å
324	M	97	Very high	97.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.4	-31.7	177.1	-69.9	-176.4	-73.1	0	0	113.1	I151 L222 I258 C260 N320 R321 S322 L327 A328	I151-M324 HydrophobicContact CG2-CG 4Å; I151-M324 HydrophobicContact CG2-SD 4.02Å; L222-M324 HydrophobicContact CB-SD 4.13Å; L222-M324 HydrophobicContact CD1-SD 4Å; L222-M324 HydrophobicContact CG-SD 4.38Å; I258-M324 HydrophobicContact CD1-CB 4.06Å; I258-M324 HydrophobicContact CG2-CB 4.24Å; I258-M324 HydrophobicContact CG2-CE 3.72Å; I258-M324 HydrophobicContact CG2-SD 4.09Å; C260-M324 HydrophobicContact CB-CE 3.31Å; C260-M324 HydrophobicContact CB-SD 4.42Å; N320-M324 PolarHBondContact O-N 3.23Å; R321-M324 HydrophobicContact CG-CE 4.24Å; R321-M324 PolarHBondContact O-N 3.41Å; S322-M324 VanDerWaalsContact C-N 3.33Å; S322-M324 PolarHBondContact O-N 3.22Å; M324-L327 PolarHBondContact O-N 2.8Å; M324-A328 VanDerWaalsContact O-CB 3.29Å; M324-A328 WeakPolarHBondContact O-CB 3.48Å; M324-A328 PolarHBondContact O-N 2.97Å
325	T	97.9	Very high	97.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.1	-46.9	173.3	-56.3	0	0	0	0	110.5	R125 I127 R321 S322 S323 L327 A328 R329 I347	R125-T325 WeakPolarHBondContact CD-OG1 3.27Å; R125-T325 PolarHBondContact NH1-OG1 3.09Å; I127-T325 HydrophobicContact CD1-CG2 3.82Å; I127-T325 HydrophobicContact CG1-CG2 4.32Å; R321-T325 PolarHBondContact O-N 2.94Å; R321-T325 PolarHBondContact O-OG1 2.91Å; S322-T325 VanDerWaalsContact O-CB 3.32Å; S322-T325 WeakPolarHBondContact O-CB 3.22Å; S322-T325 PolarHBondContact O-N 2.85Å; S322-T325 VanDerWaalsContact O-N 3.1Å; S323-T325 VanDerWaalsContact C-N 3.32Å; S323-T325 PolarHBondContact O-N 3.48Å; T325-L327 PolarHBondContact O-N 3.19Å; T325-A328 PolarHBondContact O-N 2.78Å; T325-R329 WeakPolarHBondContact O-CG 3.44Å; T325-R329 PolarHBondContact O-N 3.19Å; T325-I347 HydrophobicContact CG2-CD1 4.38Å; T325-I347 HydrophobicContact CG2-CG1 4.44Å
326	F	97.2	Very high	97.7	Very high	55 Å²	55	16.5 Å²	16.5	24%	0.241	8%	0.077	C	C	.	.	H	α-helix	trans	-57.4	-47.2	175.2	177.4	-105.4	0	0	0	112.3	Y184 S322 S323 A328 R329 Q330	Y184-F326 AromaticContact CD1-CD1 3.9Å; Y184-F326 HydrophobicContact CD1-CD1 3.9Å; Y184-F326 HydrophobicContact CD1-CD2 4.31Å; Y184-F326 AromaticContact CD1-CE1 3.93Å; Y184-F326 HydrophobicContact CD1-CE1 3.93Å; Y184-F326 HydrophobicContact CD1-CE2 4.34Å; Y184-F326 HydrophobicContact CD1-CG 4.08Å; Y184-F326 HydrophobicContact CD1-CZ 4.15Å; Y184-F326 HydrophobicContact CE1-CD1 4.5Å; Y184-F326 HydrophobicContact CE1-CE1 4.18Å; Y184-F326 HydrophobicContact CE1-CZ 4.46Å; Y184-F326 WeakPolarHBondContact O-CB 3.14Å; S322-F326 PolarHBondContact O-N 3.28Å; S323-F326 WeakPolarHBondContact O-CB 3.25Å; S323-F326 PolarHBondContact O-N 3.43Å; F326-A328 PolarHBondContact O-N 3.01Å; F326-R329 WeakPolarHBondContact O-CB 3.36Å; F326-R329 PolarHBondContact O-N 2.81Å; F326-Q330 WeakPolarHBondContact O-CG 3.36Å; F326-Q330 PolarHBondContact O-N 3.34Å
327	L	96.8	Very high	97.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-38.2	179.8	-63	175	0	0	0	112.5	H150 I151 I160 S323 M324 T325 Q330 A331	H150-L327 HydrophobicContact CB-CB 4.38Å; H150-L327 WeakPolarHBondContact O-CD1 3.35Å; I151-L327 HydrophobicContact CG1-CB 3.9Å; I160-L327 HydrophobicContact CD1-CD1 3.92Å; I160-L327 HydrophobicContact CD1-CD2 3.21Å; I160-L327 HydrophobicContact CD1-CG 4.17Å; I160-L327 HydrophobicContact CG1-CD1 3.91Å; I160-L327 HydrophobicContact CG1-CD2 3.9Å; S323-L327 VanDerWaalsContact O-CG 3.25Å; S323-L327 WeakPolarHBondContact O-CG 3.36Å; S323-L327 PolarHBondContact O-N 3.39Å; S323-L327 VanDerWaalsContact O-N 3.08Å; M324-L327 PolarHBondContact O-N 2.8Å; T325-L327 PolarHBondContact O-N 3.19Å; L327-Q330 PolarHBondContact O-N 3.23Å; L327-A331 PolarHBondContact O-N 3.48Å
328	A	97.8	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.4	-44.6	173.5	0	0	0	0	0	112	L147 I151 L256 M324 T325 F326 Q330 A331 F332	L147-A328 HydrophobicContact CD2-CB 3.93Å; I151-A328 HydrophobicContact CD1-CB 4.33Å; L256-A328 HydrophobicContact CD2-CB 3.3Å; M324-A328 VanDerWaalsContact O-CB 3.29Å; M324-A328 WeakPolarHBondContact O-CB 3.48Å; M324-A328 PolarHBondContact O-N 2.97Å; T325-A328 PolarHBondContact O-N 2.78Å; F326-A328 PolarHBondContact O-N 3.01Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 2.91Å; A328-A331 WeakPolarHBondContact O-CB 3.29Å; A328-A331 PolarHBondContact O-N 3.35Å; A328-A331 VanDerWaalsContact O-N 3.13Å; A328-F332 WeakPolarHBondContact O-CD2 3.34Å; A328-F332 PolarHBondContact O-N 3.06Å
329	R	98	Very high	97.7	Very high	8 Å²	8	29.4 Å²	29.4	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-56.1	-43.8	174.5	-77.4	179.2	176.8	147.4	3.7	111.3	W186 D189 T325 F326 F332 A333 P340 M345	W186-R329 VanDerWaalsContact CE3-CZ 3.41Å; W186-R329 VanDerWaalsContact CZ3-CZ 3.49Å; W186-R329 VanDerWaalsContact CZ3-NH2 3.29Å; D189-R329 IonicContact OD1-CZ 3.27Å; D189-R329 IonicContact OD1-NH1 2.82Å; D189-R329 IonicContact OD1-NH2 3.45Å; D189-R329 PolarHBondContact OD1-NH2 3.46Å; D189-R329 IonicContact OD2-CZ 3.66Å; D189-R329 IonicContact OD2-NH1 2.78Å; D189-R329 PolarHBondContact OD2-NH1 3.24Å; D189-R329 IonicContact OD2-NH2 3.62Å; D189-R329 PolarHBondContact OD2-NH2 2.91Å; T325-R329 WeakPolarHBondContact O-CG 3.44Å; T325-R329 PolarHBondContact O-N 3.19Å; F326-R329 WeakPolarHBondContact O-CB 3.36Å; F326-R329 PolarHBondContact O-N 2.81Å; R329-F332 PolarHBondContact O-N 3.15Å; R329-A333 VanDerWaalsContact O-CB 3.28Å; R329-A333 WeakPolarHBondContact O-CB 3.32Å; R329-A333 PolarHBondContact O-N 3Å; R329-P340 HydrophobicContact CB-CB 3.73Å; R329-P340 HydrophobicContact CB-CG 3.71Å; R329-P340 HydrophobicContact CG-CB 3.83Å; R329-P340 HydrophobicContact CG-CG 4.37Å; R329-M345 HydrophobicContact CB-SD 4.39Å; R329-M345 HydrophobicContact CG-CB 4.05Å; R329-M345 HydrophobicContact CG-CE 4.19Å; R329-M345 HydrophobicContact CG-SD 4.04Å; R329-M345 PolarHBondContact NE-O 2.66Å; R329-M345 VanDerWaalsContact NE-O 3.13Å; R329-M345 PolarHBondContact NH2-O 3.04Å
330	Q	96.7	Very high	97.7	Very high	77 Å²	77	30.9 Å²	30.9	36%	0.36	16%	0.156	S	C	.	.	H	α-helix	trans	-62.5	-43	174.8	-69.5	-176	-12.5	0	0	113.1	F326 L327 A328 A333 K334	F326-Q330 WeakPolarHBondContact O-CG 3.36Å; F326-Q330 PolarHBondContact O-N 3.34Å; L327-Q330 PolarHBondContact O-N 3.23Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 2.91Å; Q330-A333 PolarHBondContact O-N 3.21Å; Q330-K334 WeakPolarHBondContact O-CB 3.34Å; Q330-K334 PolarHBondContact O-N 2.78Å
331	A	97.6	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-44.4	178.4	0	0	0	0	0	112	T146 L147 H150 L327 A328 I335	T146-A331 HydrophobicContact CG2-CB 3.84Å; L147-A331 HydrophobicContact CD2-CB 3.67Å; L147-A331 HydrophobicContact CG-CB 4.11Å; H150-A331 HydrophobicContact CB-CB 4.41Å; L327-A331 PolarHBondContact O-N 3.48Å; A328-A331 WeakPolarHBondContact O-CB 3.29Å; A328-A331 PolarHBondContact O-N 3.35Å; A328-A331 VanDerWaalsContact O-N 3.13Å; A331-I335 WeakPolarHBondContact O-CG1 3.5Å; A331-I335 PolarHBondContact O-N 3.32Å
332	F	98.5	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-47	175.8	-87.4	-108	0	0	0	111.6	T129 L131 L143 L147 I231 L256 A328 R329 K334 I335 F336 L343 M345	T129-F332 HydrophobicContact CG2-CE1 4.17Å; L131-F332 HydrophobicContact CD1-CD1 4.04Å; L131-F332 HydrophobicContact CD1-CE1 4.16Å; L143-F332 HydrophobicContact CD1-CD1 4.39Å; L143-F332 HydrophobicContact CD1-CD2 3.95Å; L143-F332 HydrophobicContact CD1-CE2 4.1Å; L143-F332 HydrophobicContact CD1-CG 4.12Å; L143-F332 HydrophobicContact CD1-CZ 4.38Å; L143-F332 HydrophobicContact CD2-CD1 4.46Å; L143-F332 HydrophobicContact CD2-CE1 3.94Å; L143-F332 HydrophobicContact CD2-CE2 4.41Å; L143-F332 HydrophobicContact CD2-CZ 3.92Å; L147-F332 HydrophobicContact CD1-CE2 4.07Å; L147-F332 HydrophobicContact CD2-CD2 4.28Å; L147-F332 HydrophobicContact CD2-CE2 4.14Å; L147-F332 HydrophobicContact CG-CE2 4.43Å; I231-F332 HydrophobicContact CG1-CZ 4.43Å; L256-F332 HydrophobicContact CD1-CE2 4.47Å; L256-F332 HydrophobicContact CD2-CE2 4.22Å; A328-F332 WeakPolarHBondContact O-CD2 3.34Å; A328-F332 PolarHBondContact O-N 3.06Å; R329-F332 PolarHBondContact O-N 3.15Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 2.8Å; F332-I335 PolarHBondContact O-N 3.42Å; F332-I335 VanDerWaalsContact O-N 3.09Å; F332-F336 HydrophobicContact CD1-CD2 4.14Å; F332-F336 AromaticContact CD1-CE2 3.87Å; F332-F336 HydrophobicContact CD1-CE2 3.87Å; F332-F336 HydrophobicContact CE1-CE2 4.33Å; F332-F336 WeakPolarHBondContact O-CD2 3.43Å; F332-F336 PolarHBondContact O-N 3.48Å; F332-L343 HydrophobicContact CB-CD1 4.02Å; F332-M345 HydrophobicContact CB-CE 3.9Å; F332-M345 HydrophobicContact CB-SD 3.46Å; F332-M345 WeakPolarHBondContact CB-SD 3.4Å; F332-M345 HydrophobicContact CD1-CE 4.07Å; F332-M345 HydrophobicContact CD1-SD 4.21Å; F332-M345 HydrophobicContact CD2-CE 3.69Å; F332-M345 HydrophobicContact CD2-SD 4.42Å; F332-M345 HydrophobicContact CE2-CE 4.17Å; F332-M345 HydrophobicContact CG-CE 3.62Å; F332-M345 HydrophobicContact CG-SD 3.8Å
333	A	98.1	Very high	97.7	Very high	21 Å²	21	40.8 Å²	40.8	17%	0.174	21%	0.209	C	C	.	.	H	α-helix	trans	-54.9	-43.7	177.1	0	0	0	0	0	112.3	R329 Q330 I335 H337 S338 P340	R329-A333 VanDerWaalsContact O-CB 3.28Å; R329-A333 WeakPolarHBondContact O-CB 3.32Å; R329-A333 PolarHBondContact O-N 3Å; Q330-A333 PolarHBondContact O-N 3.21Å; A333-I335 PolarHBondContact O-N 2.85Å; A333-H337 WeakPolarHBondContact O-CA 3.28Å; A333-H337 PolarHBondContact O-N 2.83Å; A333-S338 WeakPolarHBondContact CA-O 3.19Å; A333-S338 WeakPolarHBondContact CB-O 3.28Å; A333-S338 PolarHBondContact O-N 3.1Å; A333-P340 HydrophobicContact CB-CG 4.12Å
334	K	97.7	Very high	97.8	Very high	127 Å²	127	42.6 Å²	42.6	55%	0.552	22%	0.218	S	C	*	.	H	α-helix	trans	-62.9	-40.1	177.1	-178.4	178.9	179.7	-178.7	0	112.9	T146 Q330 F332	T146-K334 HydrophobicContact CG2-CD 4.05Å; Q330-K334 WeakPolarHBondContact O-CB 3.34Å; Q330-K334 PolarHBondContact O-N 2.78Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 2.8Å
335	I	98.3	Very high	97.8	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-77.2	-40.7	-176.2	-71.1	-65.4	0	0	0	112.2	V139 K142 L143 T146 A331 F332 A333	V139-I335 HydrophobicContact CB-CG2 3.92Å; V139-I335 HydrophobicContact CG1-CG2 4.42Å; V139-I335 HydrophobicContact CG2-CG2 3.76Å; K142-I335 HydrophobicContact CB-CD1 4.18Å; K142-I335 HydrophobicContact CD-CD1 3.73Å; K142-I335 HydrophobicContact CG-CD1 3.63Å; L143-I335 HydrophobicContact CB-CG1 4.42Å; L143-I335 HydrophobicContact CB-CG2 4.3Å; L143-I335 HydrophobicContact CD1-CB 4.03Å; L143-I335 HydrophobicContact CD1-CG1 3.85Å; L143-I335 HydrophobicContact CD1-CG2 4.21Å; T146-I335 HydrophobicContact CG2-CD1 4.48Å; T146-I335 HydrophobicContact CG2-CG1 4.18Å; T146-I335 WeakPolarHBondContact OG1-CD1 3.13Å; A331-I335 WeakPolarHBondContact O-CG1 3.5Å; A331-I335 PolarHBondContact O-N 3.32Å; F332-I335 PolarHBondContact O-N 3.42Å; F332-I335 VanDerWaalsContact O-N 3.09Å; A333-I335 PolarHBondContact O-N 2.85Å
336	F	98.4	Very high	97.8	Very high	45 Å²	45	44.3 Å²	44.3	20%	0.197	23%	0.227	C	C	.	.	H	α-helix	trans	-92.2	-1	-177.1	-69.2	-74.7	0	0	0	113.5	L131 V136 V139 L143 F332 S338 L343	L131-F336 HydrophobicContact CD1-CD1 4.37Å; L131-F336 HydrophobicContact CD1-CD2 3.78Å; L131-F336 HydrophobicContact CD1-CE1 4.05Å; L131-F336 HydrophobicContact CD1-CE2 3.42Å; L131-F336 VanDerWaalsContact CD1-CE2 3.42Å; L131-F336 HydrophobicContact CD1-CG 4.27Å; L131-F336 HydrophobicContact CD1-CZ 3.59Å; L131-F336 HydrophobicContact CD2-CD1 4.12Å; L131-F336 HydrophobicContact CD2-CE1 4.08Å; L131-F336 HydrophobicContact CD2-CZ 4.45Å; V136-F336 HydrophobicContact CG2-CZ 3.94Å; V139-F336 HydrophobicContact CG2-CE1 3.96Å; V139-F336 HydrophobicContact CG2-CZ 3.78Å; L143-F336 HydrophobicContact CD1-CE2 4.43Å; L143-F336 HydrophobicContact CD2-CE2 4.03Å; L143-F336 HydrophobicContact CD2-CZ 4.38Å; F332-F336 HydrophobicContact CD1-CD2 4.14Å; F332-F336 AromaticContact CD1-CE2 3.87Å; F332-F336 HydrophobicContact CD1-CE2 3.87Å; F332-F336 HydrophobicContact CE1-CE2 4.33Å; F332-F336 WeakPolarHBondContact O-CD2 3.43Å; F332-F336 PolarHBondContact O-N 3.48Å; F336-S338 PolarHBondContact O-N 2.85Å; F336-L343 HydrophobicContact CB-CD1 4.16Å; F336-L343 HydrophobicContact CB-CD2 4.06Å; F336-L343 HydrophobicContact CD2-CD1 4.31Å; F336-L343 HydrophobicContact CG-CD2 4.33Å
337	H	97.8	Very high	97.9	Very high	165 Å²	165	42 Å²	42	76%	0.764	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.2	-177.2	-57.8	-72	0	0	0	112	A333	A333-H337 WeakPolarHBondContact O-CA 3.28Å; A333-H337 PolarHBondContact O-N 2.83Å
338	S	97.8	Very high	98	Very high	40 Å²	40	41.9 Å²	41.9	28%	0.28	22%	0.216	S	C	.	.	S	Bend	trans	-137.8	168.5	-174.3	-165.3	0	0	0	0	109.7	A333 F336 D342	A333-S338 WeakPolarHBondContact CA-O 3.19Å; A333-S338 WeakPolarHBondContact CB-O 3.28Å; A333-S338 PolarHBondContact O-N 3.1Å; F336-S338 PolarHBondContact O-N 2.85Å; S338-D342 VanDerWaalsContact OG-CB 3.25Å; S338-D342 WeakPolarHBondContact OG-CB 3.13Å
339	T	98	Very high	98	Very high	66 Å²	66	42 Å²	42	41%	0.405	22%	0.216	S	C	.	.			trans	-84.8	155.2	172.4	74.4	0	0	0	0	110.7	D341 D342 L343	T339-D341 PolarHBondContact O-N 2.74Å; T339-D342 WeakPolarHBondContact CB-OD2 3.35Å; T339-D342 PolarHBondContact O-N 3.47Å; T339-D342 WeakPolarHBondContact OG1-CB 3.47Å; T339-D342 PolarHBondContact OG1-N 3.15Å; T339-D342 VanDerWaalsContact OG1-N 3.11Å; T339-D342 PolarHBondContact OG1-OD2 3.38Å; T339-L343 VanDerWaalsContact O-CG 3.31Å; T339-L343 WeakPolarHBondContact O-CG 3.26Å; T339-L343 PolarHBondContact O-N 3.47Å; T339-L343 VanDerWaalsContact O-N 3.1Å
340	P	97.7	Very high	98.1	Very high	31 Å²	31	41.6 Å²	41.6	20%	0.201	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.2	175	-20.4	31.8	0	0	0	113.7	W186 R329 A333 D344 M345	W186-P340 HydrophobicContact CH2-CB 4.14Å; W186-P340 HydrophobicContact CZ2-CB 3.96Å; R329-P340 HydrophobicContact CB-CB 3.73Å; R329-P340 HydrophobicContact CB-CG 3.71Å; R329-P340 HydrophobicContact CG-CB 3.83Å; R329-P340 HydrophobicContact CG-CG 4.37Å; A333-P340 HydrophobicContact CB-CG 4.12Å; P340-D344 PolarHBondContact O-N 3.25Å; P340-M345 HydrophobicContact CB-CB 4.33Å; P340-M345 HydrophobicContact CB-CG 4.46Å; P340-M345 HydrophobicContact CB-SD 4.23Å; P340-M345 WeakPolarHBondContact O-CB 3.48Å; P340-M345 PolarHBondContact O-N 2.82Å
341	D	97.2	Very high	98.2	Very high	104 Å²	104	38 Å²	38	56%	0.556	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-46.9	175.7	-169.3	64.3	0	0	0	111	T339 L343 D344	T339-D341 PolarHBondContact O-N 2.74Å; D341-L343 PolarHBondContact O-N 3.29Å; D341-D344 WeakPolarHBondContact O-CA 3.22Å; D341-D344 PolarHBondContact O-N 3.32Å
342	D	98.2	Very high	98.2	Very high	96 Å²	96	38 Å²	38	51%	0.513	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.6	173.2	-66.2	-46.5	0	0	0	112.8	N130 S338 T339 D344	N130-D342 PolarHBondContact ND2-O 2.65Å; S338-D342 VanDerWaalsContact OG-CB 3.25Å; S338-D342 WeakPolarHBondContact OG-CB 3.13Å; T339-D342 WeakPolarHBondContact CB-OD2 3.35Å; T339-D342 PolarHBondContact O-N 3.47Å; T339-D342 WeakPolarHBondContact OG1-CB 3.47Å; T339-D342 PolarHBondContact OG1-N 3.15Å; T339-D342 VanDerWaalsContact OG1-N 3.11Å; T339-D342 PolarHBondContact OG1-OD2 3.38Å; D342-D344 VanDerWaalsContact C-N 3.31Å
343	L	98.4	Very high	98.1	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.4	174.4	-66	175.5	0	0	0	113.3	T129 N130 L131 F332 F336 T339 D341 M345	T129-L343 CarbonylContact C-O 3.5Å; T129-L343 VanDerWaalsContact CA-O 3.3Å; T129-L343 WeakPolarHBondContact CA-O 3.22Å; N130-L343 PolarHBondContact N-O 3.43Å; N130-L343 WeakPolarHBondContact OD1-CA 3.49Å; N130-L343 PolarHBondContact OD1-O 3.09Å; L131-L343 HydrophobicContact CD1-CD2 4.24Å; L131-L343 HydrophobicContact CD2-CD2 3.93Å; L131-L343 HydrophobicContact CG-CD2 4.16Å; F332-L343 HydrophobicContact CB-CD1 4.02Å; F336-L343 HydrophobicContact CB-CD1 4.16Å; F336-L343 HydrophobicContact CB-CD2 4.06Å; F336-L343 HydrophobicContact CD2-CD1 4.31Å; F336-L343 HydrophobicContact CG-CD2 4.33Å; T339-L343 VanDerWaalsContact O-CG 3.31Å; T339-L343 WeakPolarHBondContact O-CG 3.26Å; T339-L343 PolarHBondContact O-N 3.47Å; T339-L343 VanDerWaalsContact O-N 3.1Å; D341-L343 PolarHBondContact O-N 3.29Å; L343-M345 VanDerWaalsContact C-N 3.29Å; L343-M345 HydrophobicContact CB-CG 3.82Å; L343-M345 HydrophobicContact CB-SD 4.44Å; L343-M345 HydrophobicContact CD1-SD 4.38Å; L343-M345 PolarHBondContact O-N 3.35Å
344	D	98	Very high	98.1	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.203	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	45	-178.8	-176.6	41	0	0	0	112.1	R128 N130 P340 D341 D342 Q346	R128-D344 CarbonylContact C-O 3.49Å; R128-D344 IonicContact CZ-OD1 3.17Å; R128-D344 IonicContact CZ-OD2 3.13Å; R128-D344 IonicContact NE-OD1 3.9Å; R128-D344 IonicContact NE-OD2 3.82Å; R128-D344 IonicContact NH1-OD1 3.39Å; R128-D344 PolarHBondContact NH1-OD1 3.27Å; R128-D344 IonicContact NH1-OD2 2.6Å; R128-D344 PolarHBondContact NH1-OD2 3.44Å; R128-D344 IonicContact NH2-OD1 2.81Å; R128-D344 PolarHBondContact NH2-OD1 2.88Å; R128-D344 IonicContact NH2-OD2 3.56Å; R128-D344 VanDerWaalsContact O-O 3.09Å; N130-D344 HydrophobicContact CB-CB 3.99Å; P340-D344 PolarHBondContact O-N 3.25Å; D341-D344 WeakPolarHBondContact O-CA 3.22Å; D341-D344 PolarHBondContact O-N 3.32Å; D342-D344 VanDerWaalsContact C-N 3.31Å; D344-Q346 PolarHBondContact O-N 3.22Å; D344-Q346 WeakPolarHBondContact OD1-CG 3.39Å
345	M	98.5	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.			trans	-76.7	52.4	-177.3	-65.3	-165.1	74	0	0	113.7	I127 R128 T129 W186 R329 F332 P340 L343	I127-M345 HydrophobicContact CG2-CB 4.13Å; I127-M345 HydrophobicContact CG2-CE 4.33Å; R128-M345 VanDerWaalsContact O-CA 3.29Å; R128-M345 WeakPolarHBondContact O-CA 3.39Å; T129-M345 HydrophobicContact CG2-CG 4.21Å; W186-M345 HydrophobicContact CH2-CB 4.4Å; W186-M345 WeakPolarHBondContact CZ3-O 2.81Å; R329-M345 HydrophobicContact CB-SD 4.39Å; R329-M345 HydrophobicContact CG-CB 4.05Å; R329-M345 HydrophobicContact CG-CE 4.19Å; R329-M345 HydrophobicContact CG-SD 4.04Å; R329-M345 PolarHBondContact NE-O 2.66Å; R329-M345 VanDerWaalsContact NE-O 3.13Å; R329-M345 PolarHBondContact NH2-O 3.04Å; F332-M345 HydrophobicContact CB-CE 3.9Å; F332-M345 HydrophobicContact CB-SD 3.46Å; F332-M345 WeakPolarHBondContact CB-SD 3.4Å; F332-M345 HydrophobicContact CD1-CE 4.07Å; F332-M345 HydrophobicContact CD1-SD 4.21Å; F332-M345 HydrophobicContact CD2-CE 3.69Å; F332-M345 HydrophobicContact CD2-SD 4.42Å; F332-M345 HydrophobicContact CE2-CE 4.17Å; F332-M345 HydrophobicContact CG-CE 3.62Å; F332-M345 HydrophobicContact CG-SD 3.8Å; P340-M345 HydrophobicContact CB-CB 4.33Å; P340-M345 HydrophobicContact CB-CG 4.46Å; P340-M345 HydrophobicContact CB-SD 4.23Å; P340-M345 WeakPolarHBondContact O-CB 3.48Å; P340-M345 PolarHBondContact O-N 2.82Å; L343-M345 VanDerWaalsContact C-N 3.29Å; L343-M345 HydrophobicContact CB-CG 3.82Å; L343-M345 HydrophobicContact CB-SD 4.44Å; L343-M345 HydrophobicContact CD1-SD 4.38Å; L343-M345 PolarHBondContact O-N 3.35Å
346	Q	98.2	Very high	98.2	Very high	37 Å²	37	31.7 Å²	31.7	17%	0.173	17%	0.168	C	C	.	.			trans	-81.5	144.7	-178.4	-62.5	-64.3	-15.6	0	0	111.7	I127 R128 W186 D344 I348	I127-Q346 CarbonylContact C-O 3.58Å; I127-Q346 WeakPolarHBondContact CA-O 3.41Å; R128-Q346 HydrophobicContact CG-CB 4.14Å; R128-Q346 PolarHBondContact N-O 3.39Å; W186-Q346 HydrophobicContact CZ3-CG 4.49Å; D344-Q346 PolarHBondContact O-N 3.22Å; D344-Q346 WeakPolarHBondContact OD1-CG 3.39Å; Q346-I348 PolarHBondContact O-N 2.85Å
347	I	98.7	Very high	98.2	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.6	172.5	-65.7	175.3	0	0	0	108.8	R125 L126 I127 D189 H192 T325	R125-I347 HydrophobicContact CG-CD1 4.41Å; R125-I347 HydrophobicContact CG-CG1 4.4Å; R125-I347 HydrophobicContact CG-CG2 4.17Å; R125-I347 VanDerWaalsContact NH1-CD1 3.3Å; L126-I347 CarbonylContact O-C 3.58Å; I127-I347 HydrophobicContact CG1-CG1 4.19Å; D189-I347 HydrophobicContact CB-CD1 3.6Å; D189-I347 VanDerWaalsContact OD1-CD1 3.3Å; D189-I347 WeakPolarHBondContact OD1-CD1 3.46Å; D189-I347 WeakPolarHBondContact OD1-CG1 3.45Å; H192-I347 HydrophobicContact CB-CB 4.25Å; H192-I347 HydrophobicContact CB-CG2 3.9Å; T325-I347 HydrophobicContact CG2-CD1 4.38Å; T325-I347 HydrophobicContact CG2-CG1 4.44Å
348	I	98.5	Very high	98.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-56.2	167.1	-69.7	178.7	0	0	0	108.6	L126 R128 M246 I248 Q346 Y392	L126-I348 HydrophobicContact CB-CB 4.34Å; L126-I348 HydrophobicContact CD2-CB 4.36Å; L126-I348 HydrophobicContact CD2-CD1 3.69Å; L126-I348 HydrophobicContact CD2-CG2 4.49Å; L126-I348 HydrophobicContact CG-CB 4.43Å; L126-I348 HydrophobicContact CG-CD1 4.06Å; L126-I348 PolarHBondContact O-N 2.65Å; R128-I348 HydrophobicContact CB-CD1 4.02Å; R128-I348 HydrophobicContact CB-CG1 4.06Å; R128-I348 HydrophobicContact CG-CG1 4.41Å; M246-I348 HydrophobicContact CB-CD1 4.31Å; M246-I348 HydrophobicContact CB-CG1 4.38Å; M246-I348 HydrophobicContact CB-CG2 3.88Å; M246-I348 HydrophobicContact CG-CG2 3.88Å; M246-I348 WeakPolarHBondContact O-CG1 3.31Å; M246-I348 HydrophobicContact SD-CG2 4.03Å; I248-I348 HydrophobicContact CD1-CD1 4.1Å; I248-I348 HydrophobicContact CG1-CD1 4.01Å; Q346-I348 PolarHBondContact O-N 2.85Å; I348-Y392 WeakPolarHBondContact O-CE2 3.35Å; I348-Y392 PolarHBondContact O-OH 3.04Å
349	Y	98.8	Very high	98.2	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	163.8	174.5	-149.5	-126.7	0	0	0	112.5	R125 L126 H192 V351 P389 Y392 Q397 P398 L400	R125-Y349 WeakPolarHBondContact CA-O 3.42Å; L126-Y349 PolarHBondContact N-O 3.19Å; H192-Y349 HydrophobicContact CB-CD2 4.46Å; H192-Y349 CarbonylContact O-C 3.52Å; H192-Y349 WeakPolarHBondContact O-CA 3.34Å; H192-Y349 VanDerWaalsContact O-CD2 3.23Å; H192-Y349 WeakPolarHBondContact O-CD2 3.5Å; Y349-V351 HydrophobicContact CD1-CB 4.2Å; Y349-V351 HydrophobicContact CE1-CB 4.3Å; Y349-V351 HydrophobicContact CE1-CG2 4.44Å; Y349-P389 HydrophobicContact CD2-CG 4.25Å; Y349-P389 HydrophobicContact CE2-CG 3.6Å; Y349-Y392 HydrophobicContact CD2-CE2 4.15Å; Y349-Q397 HydrophobicContact CE1-CG 3.61Å; Y349-Q397 PolarHBondContact OH-NE2 3.42Å; Y349-Q397 VanDerWaalsContact OH-NE2 3.09Å; Y349-P398 HydrophobicContact CD1-CB 4.01Å; Y349-P398 HydrophobicContact CD1-CG 4.22Å; Y349-P398 WeakPolarHBondContact CD1-O 3.4Å; Y349-P398 HydrophobicContact CD2-CG 4.16Å; Y349-P398 HydrophobicContact CG-CB 3.92Å; Y349-P398 HydrophobicContact CG-CG 3.85Å; Y349-L400 VanDerWaalsContact O-CD1 3.28Å; Y349-L400 WeakPolarHBondContact O-CD1 3.44Å
350	D	98.7	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.9	169	179.1	-40.5	0	0	0	109.4	V124 R125 H192 C193 E194 W318 R321	V124-D350 WeakPolarHBondContact O-CA 3.35Å; R125-D350 HydrophobicContact CB-CB 4.11Å; R125-D350 HydrophobicContact CG-CB 4.13Å; R125-D350 IonicContact CZ-OD2 2.79Å; R125-D350 IonicContact NE-OD2 3.72Å; R125-D350 PolarHBondContact NE-OD2 3.23Å; R125-D350 IonicContact NH2-OD2 2.59Å; R125-D350 PolarHBondContact NH2-OD2 3.37Å; H192-D350 PolarHBondContact O-N 3.13Å; C193-D350 HydrophobicContact CB-CB 4.22Å; E194-D350 VanDerWaalsContact CB-O 3.26Å; E194-D350 WeakPolarHBondContact CB-O 3.13Å; E194-D350 PolarHBondContact N-O 2.88Å; W318-D350 PolarHBondContact NE1-OD1 3.18Å; R321-D350 IonicContact CZ-OD1 3.11Å; R321-D350 VanDerWaalsContact CZ-OD1 3.26Å; R321-D350 IonicContact CZ-OD2 2.95Å; R321-D350 VanDerWaalsContact NE-CG 3.3Å; R321-D350 IonicContact NE-OD1 3Å; R321-D350 PolarHBondContact NE-OD1 3.03Å; R321-D350 IonicContact NE-OD2 2.84Å; R321-D350 PolarHBondContact NE-OD2 3.5Å; R321-D350 IonicContact NH2-OD1 3.25Å; R321-D350 PolarHBondContact NH2-OD1 3.07Å; R321-D350 IonicContact NH2-OD2 3.07Å
351	V	98.2	Very high	98.1	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.8	-174.5	75.5	0	0	0	0	112.2	G123 V124 E194 Y349 T378 L400	G123-V351 CarbonylContact C-O 3.58Å; G123-V351 WeakPolarHBondContact CA-O 3.26Å; V124-V351 PolarHBondContact N-O 2.94Å; V124-V351 PolarHBondContact O-N 2.97Å; E194-V351 WeakPolarHBondContact OE2-CG2 3.39Å; Y349-V351 HydrophobicContact CD1-CB 4.2Å; Y349-V351 HydrophobicContact CE1-CB 4.3Å; Y349-V351 HydrophobicContact CE1-CG2 4.44Å; V351-T378 HydrophobicContact CB-CG2 4.09Å; V351-T378 HydrophobicContact CG1-CG2 3.6Å; V351-T378 HydrophobicContact CG2-CG2 3.33Å; V351-L400 HydrophobicContact CG1-CB 4.14Å; V351-L400 HydrophobicContact CG1-CD1 4.48Å; V351-L400 HydrophobicContact CG1-CG 4.29Å
352	S	97.8	Very high	97.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.5	174.6	65.9	0	0	0	0	111.4	N121 E194 I355 K357	N121-S352 WeakPolarHBondContact OD1-CB 3.46Å; E194-S352 WeakPolarHBondContact OE2-CB 3.35Å; E194-S352 PolarHBondContact OE2-N 2.58Å; E194-S352 PolarHBondContact OE2-OG 2.81Å; S352-I355 WeakPolarHBondContact OG-CG2 3.45Å; S352-K357 PolarHBondContact OG-NZ 3.12Å
353	H	97.2	Very high	97.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	12%	0.119	C	C	.	.	S	Bend	trans	-129.5	3.8	172.5	62.9	84.2	0	0	0	115	C122 G123 H259 K375 G376 S377 H428	C122-H353 VanDerWaalsContact C-CD2 3.48Å; C122-H353 VanDerWaalsContact C-NE2 3.26Å; C122-H353 PolarHBondContact O-CD2 3.28Å; C122-H353 PolarHBondContact O-N 3.17Å; C122-H353 PolarHBondContact O-NE2 3.4Å; C122-H353 PolarHBondContact SG-CE1 3.35Å; C122-H353 PolarHBondContact SG-NE2 2.96Å; C122-H353 VanDerWaalsContact SG-NE2 3.44Å; G123-H353 PolarHBondContact N-NE2 3.44Å; H259-H353 AromaticContact CD2-NE2 3.73Å; H259-H353 AromaticContact CE1-NE2 3.89Å; H259-H353 AromaticContact NE2-CE1 3.55Å; H259-H353 AromaticContact NE2-NE2 2.93Å; H259-H353 PolarHBondContact NE2-NE2 2.91Å; H353-K375 CarbonylContact O-C 3.55Å; H353-G376 WeakPolarHBondContact O-CA 2.95Å; H353-G376 PolarHBondContact O-N 3.36Å; H353-S377 CarbonylContact C-O 3.43Å; H353-S377 WeakPolarHBondContact CA-O 3.47Å; H353-S377 PolarHBondContact O-N 3.08Å; H353-H428 HydrophobicContact CB-CB 3.49Å; H353-H428 VanDerWaalsContact CB-CB 3.49Å; H353-H428 AromaticContact CE1-CD2 3.77Å; H353-H428 AromaticContact CG-CD2 3.9Å; H353-H428 AromaticContact ND1-CD2 3.44Å; H353-H428 PolarHBondContact ND1-CD2 3.11Å; H353-H428 AromaticContact ND1-CG 3.97Å
354	N	98.3	Very high	97.2	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	88.2	172.2	-77.5	-10.1	0	0	0	109	V116 D119 N121 C122 R374 G376	V116-N354 WeakPolarHBondContact O-CA 3.23Å; V116-N354 WeakPolarHBondContact O-CB 3.44Å; D119-N354 WeakPolarHBondContact O-CB 3.47Å; D119-N354 PolarHBondContact O-ND2 3.45Å; N121-N354 WeakPolarHBondContact CA-O 3.13Å; N121-N354 PolarHBondContact N-O 3.45Å; C122-N354 HydrophobicContact CB-CB 4.26Å; C122-N354 WeakPolarHBondContact CB-ND2 3.33Å; C122-N354 PolarHBondContact O-N 2.8Å; N354-R374 CarbonylContact C-O 3.48Å; N354-R374 VanDerWaalsContact CA-O 3.25Å; N354-R374 WeakPolarHBondContact CA-O 3.14Å; N354-G376 PolarHBondContact OD1-N 2.94Å
355	I	98.5	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	155.9	-171.1	-157.7	73.2	0	0	0	110.9	I120 N121 M199 A314 S352 K357 R374	I120-I355 HydrophobicContact CG2-CD1 4.49Å; N121-I355 HydrophobicContact CB-CD1 4.12Å; M199-I355 HydrophobicContact SD-CD1 4.02Å; M199-I355 HydrophobicContact SD-CG1 4.46Å; A314-I355 HydrophobicContact CB-CD1 3.72Å; S352-I355 WeakPolarHBondContact OG-CG2 3.45Å; I355-K357 HydrophobicContact CG1-CG 4.09Å; I355-K357 HydrophobicContact CG2-CG 4.13Å; I355-R374 HydrophobicContact CG2-CB 4.34Å; I355-R374 PolarHBondContact N-O 3.5Å; I355-R374 PolarHBondContact O-N 2.8Å
356	A	98.6	Very high	96.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.7	159	0	0	0	0	0	109.5	V116 M310 L371 V372	V116-A356 HydrophobicContact CG2-CB 3.69Å; M310-A356 HydrophobicContact CE-CB 4.11Å; M310-A356 WeakPolarHBondContact CE-O 3.2Å; M310-A356 HydrophobicContact SD-CB 3.83Å; A356-L371 HydrophobicContact CB-CD1 3.98Å; A356-L371 HydrophobicContact CB-CG 4.32Å; A356-V372 VanDerWaalsContact CA-O 3.25Å; A356-V372 WeakPolarHBondContact CA-O 3.45Å
357	K	98.2	Very high	96.5	Very high	5 Å²	5	43 Å²	43	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.4	-179.6	-67.6	-161.2	179.6	87.2	0	111.8	E194 E195 S352 I355 E359 L371 V372	E194-K357 WeakPolarHBondContact OE1-CE 3.48Å; E194-K357 IonicContact OE1-NZ 2.71Å; E194-K357 PolarHBondContact OE1-NZ 3.19Å; E194-K357 IonicContact OE2-NZ 3.42Å; E194-K357 PolarHBondContact OE2-NZ 2.63Å; E195-K357 HydrophobicContact CG-CD 4.42Å; E195-K357 WeakPolarHBondContact OE1-CD 3.3Å; E195-K357 WeakPolarHBondContact OE1-CE 3.28Å; S352-K357 PolarHBondContact OG-NZ 3.12Å; I355-K357 HydrophobicContact CG1-CG 4.09Å; I355-K357 HydrophobicContact CG2-CG 4.13Å; K357-E359 HydrophobicContact CB-CG 3.94Å; K357-E359 WeakPolarHBondContact CB-OE1 3.49Å; K357-L371 CarbonylContact O-C 3.59Å; K357-L371 WeakPolarHBondContact O-CA 3.24Å; K357-V372 PolarHBondContact N-O 3.35Å; K357-V372 PolarHBondContact O-N 3.38Å
358	V	97.8	Very high	96.4	Very high	76 Å²	76	45.8 Å²	45.8	46%	0.461	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.3	169.6	-178	0	0	0	0	107.5	L104 T369 L370 L371	L104-V358 HydrophobicContact CD1-CG1 4.3Å; L104-V358 HydrophobicContact CD2-CG1 3.84Å; L104-V358 HydrophobicContact CD2-CG2 4.12Å; V358-T369 HydrophobicContact CG1-CG2 3.45Å; V358-T369 VanDerWaalsContact CG1-CG2 3.45Å; V358-L370 CarbonylContact C-O 3.49Å; V358-L370 VanDerWaalsContact CA-O 3.32Å; V358-L370 WeakPolarHBondContact CA-O 3.36Å; V358-L371 HydrophobicContact CG2-CD1 4.07Å
359	E	97.7	Very high	96.4	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.6	-173.4	-63.4	178.5	-176.2	0	0	110.6	K357 H361 L370 V372 R374 R379 F381	K357-E359 HydrophobicContact CB-CG 3.94Å; K357-E359 WeakPolarHBondContact CB-OE1 3.49Å; E359-H361 WeakPolarHBondContact CB-NE2 3.39Å; E359-H361 IonicContact OE2-CD2 3.1Å; E359-H361 IonicContact OE2-CE1 3.36Å; E359-H361 IonicContact OE2-NE2 3.08Å; E359-H361 PolarHBondContact OE2-NE2 3.17Å; E359-L370 PolarHBondContact N-O 3.38Å; E359-L370 PolarHBondContact O-N 2.93Å; E359-V372 HydrophobicContact CB-CG2 4.18Å; E359-V372 HydrophobicContact CG-CG2 4.48Å; E359-R374 IonicContact OE1-CZ 3.62Å; E359-R374 IonicContact OE1-NH1 3.87Å; E359-R374 PolarHBondContact OE1-NH1 3.14Å; E359-R374 IonicContact OE1-NH2 2.73Å; E359-R374 PolarHBondContact OE1-NH2 3.24Å; E359-R374 IonicContact OE2-CZ 3.75Å; E359-R374 IonicContact OE2-NH1 3.65Å; E359-R374 IonicContact OE2-NH2 2.65Å; E359-R374 PolarHBondContact OE2-NH2 3.1Å; E359-R379 WeakPolarHBondContact OE1-CD 3.33Å; E359-F381 HydrophobicContact CG-CZ 4.37Å
360	E	96.7	Very high	96.3	Very high	132 Å²	132	48 Å²	48	62%	0.617	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.5	173.6	-64.7	-169.5	140.8	0	0	110.5	I367 K368	E360-I367 HydrophobicContact CB-CG2 4.07Å; E360-I367 HydrophobicContact CG-CG2 4.44Å; E360-K368 WeakPolarHBondContact CA-O 3.32Å
361	H	97	Very high	96.3	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.1	179.9	-73	-84.4	0	0	0	111	E359 V363 K368 L370 F423	E359-H361 WeakPolarHBondContact CB-NE2 3.39Å; E359-H361 IonicContact OE2-CD2 3.1Å; E359-H361 IonicContact OE2-CE1 3.36Å; E359-H361 IonicContact OE2-NE2 3.08Å; E359-H361 PolarHBondContact OE2-NE2 3.17Å; H361-V363 PolarHBondContact O-N 3.35Å; H361-K368 PolarHBondContact N-O 3.12Å; H361-K368 PolarHBondContact O-N 3.31Å; H361-L370 HydrophobicContact CB-CD1 3.81Å; H361-L370 HydrophobicContact CB-CG 4.48Å; H361-F423 HydrophobicContact CB-CD1 3.89Å; H361-F423 HydrophobicContact CB-CE1 4.38Å; H361-F423 PolarHBondContact CE1-O 2.7Å; H361-F423 AromaticContact CG-CD1 3.77Å; H361-F423 AromaticContact ND1-CD1 3.95Å
362	W	93.8	Very high	96.4	Very high	182 Å²	182	48.1 Å²	48.1	69%	0.689	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.6	171.1	-75.4	89.4	0	0	0	110.1	G365 K366 I367	W362-G365 WeakPolarHBondContact CZ3-O 3.39Å; W362-K366 WeakPolarHBondContact CA-O 3.41Å; W362-I367 HydrophobicContact CD2-CG1 3.91Å; W362-I367 HydrophobicContact CE3-CG1 4.27Å; W362-I367 HydrophobicContact CG-CG1 4.49Å; W362-I367 HydrophobicContact CH2-CD1 4.41Å; W362-I367 HydrophobicContact CH2-CG1 4.09Å; W362-I367 HydrophobicContact CZ2-CD1 3.82Å; W362-I367 HydrophobicContact CZ2-CG1 3.7Å; W362-I367 HydrophobicContact CZ3-CG1 4.36Å
363	V	93.2	Very high	96.4	Very high	7 Å²	7	48 Å²	48	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.5	178.2	-177.9	0	0	0	0	108	V79 H361 G365 K366 K368 L370 F423	V79-V363 HydrophobicContact CG1-CB 4.29Å; V79-V363 HydrophobicContact CG1-CG1 3.43Å; V79-V363 VanDerWaalsContact CG1-CG1 3.43Å; V79-V363 HydrophobicContact CG1-CG2 3.93Å; H361-V363 PolarHBondContact O-N 3.35Å; V363-G365 PolarHBondContact O-N 3.24Å; V363-K366 PolarHBondContact N-O 2.65Å; V363-K366 PolarHBondContact O-N 3.12Å; V363-K366 VanDerWaalsContact O-O 3.06Å; V363-K368 HydrophobicContact CB-CD 3.94Å; V363-K368 HydrophobicContact CB-CG 4.23Å; V363-K368 HydrophobicContact CG1-CD 4.25Å; V363-K368 HydrophobicContact CG2-CB 4.42Å; V363-K368 HydrophobicContact CG2-CD 4.34Å; V363-L370 HydrophobicContact CG2-CD1 3.97Å; V363-F423 HydrophobicContact CG2-CE1 4.01Å
364	D	88.6	Confident	96.5	Very high	143 Å²	143	47.9 Å²	47.9	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	40.9	179.4	-53.9	-37.5	0	0	0	113.3	K366	D364-K366 VanDerWaalsContact C-N 3.33Å; D364-K366 PolarHBondContact O-N 3.31Å
365	G	90.9	Very high	96.5	Very high	62 Å²	62	47.3 Å²	47.3	64%	0.639	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	13.1	178.5	0	0	0	0	0	115.3	W362 V363	W362-G365 WeakPolarHBondContact CZ3-O 3.39Å; V363-G365 PolarHBondContact O-N 3.24Å
366	K	94.5	Very high	96.4	Very high	153 Å²	153	47.3 Å²	47.3	67%	0.665	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.5	175	-63.4	-178.3	-178.2	179.4	0	111.3	W362 V363 D364	W362-K366 WeakPolarHBondContact CA-O 3.41Å; V363-K366 PolarHBondContact N-O 2.65Å; V363-K366 PolarHBondContact O-N 3.12Å; V363-K366 VanDerWaalsContact O-O 3.06Å; D364-K366 VanDerWaalsContact C-N 3.33Å; D364-K366 PolarHBondContact O-N 3.31Å
367	I	95.2	Very high	96.3	Very high	93 Å²	93	47.3 Å²	47.3	48%	0.477	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.5	169.8	-62	175.2	0	0	0	108.5	E360 W362	E360-I367 HydrophobicContact CB-CG2 4.07Å; E360-I367 HydrophobicContact CG-CG2 4.44Å; W362-I367 HydrophobicContact CD2-CG1 3.91Å; W362-I367 HydrophobicContact CE3-CG1 4.27Å; W362-I367 HydrophobicContact CG-CG1 4.49Å; W362-I367 HydrophobicContact CH2-CD1 4.41Å; W362-I367 HydrophobicContact CH2-CG1 4.09Å; W362-I367 HydrophobicContact CZ2-CD1 3.82Å; W362-I367 HydrophobicContact CZ2-CG1 3.7Å; W362-I367 HydrophobicContact CZ3-CG1 4.36Å
368	K	96.7	Very high	96.3	Very high	64 Å²	64	47.1 Å²	47.1	28%	0.278	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.7	172.9	-68.2	-165.8	169.8	-156.9	0	110.4	D103 E360 H361 V363 L370	D103-K368 WeakPolarHBondContact OD2-CD 3.21Å; D103-K368 WeakPolarHBondContact OD2-CE 3.38Å; D103-K368 IonicContact OD2-NZ 3.11Å; D103-K368 PolarHBondContact OD2-NZ 2.71Å; E360-K368 WeakPolarHBondContact CA-O 3.32Å; H361-K368 PolarHBondContact N-O 3.12Å; H361-K368 PolarHBondContact O-N 3.31Å; V363-K368 HydrophobicContact CB-CD 3.94Å; V363-K368 HydrophobicContact CB-CG 4.23Å; V363-K368 HydrophobicContact CG1-CD 4.25Å; V363-K368 HydrophobicContact CG2-CB 4.42Å; V363-K368 HydrophobicContact CG2-CD 4.34Å; K368-L370 HydrophobicContact CB-CD2 3.77Å; K368-L370 HydrophobicContact CB-CG 4.28Å; K368-L370 HydrophobicContact CD-CD2 4.44Å
369	T	97.5	Very high	96.4	Very high	50 Å²	50	43.6 Å²	43.6	31%	0.307	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.3	169.5	-45.7	0	0	0	0	108.9	L104 V358	L104-T369 HydrophobicContact CD1-CG2 4.31Å; L104-T369 WeakPolarHBondContact CD1-O 3.34Å; L104-T369 HydrophobicContact CD2-CG2 4.22Å; L104-T369 PolarHBondContact N-O 3.39Å; V358-T369 HydrophobicContact CG1-CG2 3.45Å; V358-T369 VanDerWaalsContact CG1-CG2 3.45Å
370	L	98.2	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.1	-173.8	-52.8	-177.1	0	0	0	111.5	V79 A101 F102 D103 V358 E359 H361 V363 K368 V372 F423	V79-L370 HydrophobicContact CG2-CD2 4.04Å; A101-L370 HydrophobicContact CB-CB 4.18Å; A101-L370 HydrophobicContact CB-CD1 3.78Å; F102-L370 CarbonylContact O-C 3.5Å; F102-L370 VanDerWaalsContact O-CA 3.27Å; F102-L370 WeakPolarHBondContact O-CA 3.28Å; D103-L370 HydrophobicContact CB-CD2 4.17Å; V358-L370 CarbonylContact C-O 3.49Å; V358-L370 VanDerWaalsContact CA-O 3.32Å; V358-L370 WeakPolarHBondContact CA-O 3.36Å; E359-L370 PolarHBondContact N-O 3.38Å; E359-L370 PolarHBondContact O-N 2.93Å; H361-L370 HydrophobicContact CB-CD1 3.81Å; H361-L370 HydrophobicContact CB-CG 4.48Å; V363-L370 HydrophobicContact CG2-CD1 3.97Å; K368-L370 HydrophobicContact CB-CD2 3.77Å; K368-L370 HydrophobicContact CB-CG 4.28Å; K368-L370 HydrophobicContact CD-CD2 4.44Å; L370-V372 HydrophobicContact CB-CG2 4.21Å; L370-F423 HydrophobicContact CD1-CD1 3.77Å; L370-F423 HydrophobicContact CD1-CE1 3.45Å; L370-F423 VanDerWaalsContact CD1-CE1 3.45Å; L370-F423 HydrophobicContact CD1-CZ 4.18Å
371	L	98.6	Very high	96.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	104.6	165.6	-176.2	66.4	0	0	0	107	A101 F102 L104 V111 I298 L307 A356 K357 V358	A101-L371 WeakPolarHBondContact CA-O 3.49Å; F102-L371 PolarHBondContact N-O 3.09Å; F102-L371 PolarHBondContact O-N 2.84Å; L104-L371 HydrophobicContact CD1-CB 3.8Å; V111-L371 HydrophobicContact CB-CD2 3.8Å; V111-L371 HydrophobicContact CG2-CD2 3.89Å; I298-L371 HydrophobicContact CD1-CB 3.9Å; I298-L371 HydrophobicContact CD1-CD2 3.71Å; I298-L371 HydrophobicContact CD1-CG 4.47Å; I298-L371 HydrophobicContact CG1-CD2 3.84Å; L307-L371 HydrophobicContact CD1-CD2 4.43Å; L307-L371 HydrophobicContact CD2-CD1 3.98Å; L307-L371 HydrophobicContact CD2-CD2 4.12Å; A356-L371 HydrophobicContact CB-CD1 3.98Å; A356-L371 HydrophobicContact CB-CG 4.32Å; K357-L371 CarbonylContact O-C 3.59Å; K357-L371 WeakPolarHBondContact O-CA 3.24Å; V358-L371 HydrophobicContact CG2-CD1 4.07Å
372	V	98.6	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.2	-177	-172.2	0	0	0	0	109.3	M99 A101 A356 K357 E359 L370 R374 F423	M99-V372 HydrophobicContact CE-CG1 4.49Å; A101-V372 HydrophobicContact CB-CG2 4.15Å; A356-V372 VanDerWaalsContact CA-O 3.25Å; A356-V372 WeakPolarHBondContact CA-O 3.45Å; K357-V372 PolarHBondContact N-O 3.35Å; K357-V372 PolarHBondContact O-N 3.38Å; E359-V372 HydrophobicContact CB-CG2 4.18Å; E359-V372 HydrophobicContact CG-CG2 4.48Å; L370-V372 HydrophobicContact CB-CG2 4.21Å; V372-R374 HydrophobicContact CG1-CG 4.17Å; V372-F423 HydrophobicContact CG1-CB 4.43Å
373	H	98.8	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.9	170.6	-72.5	76.2	0	0	0	110	F94 M99 A100 F102 S112	F94-H373 HydrophobicContact CE1-CB 4.37Å; M99-H373 WeakPolarHBondContact CA-O 3.33Å; M99-H373 VanDerWaalsContact CB-O 3.3Å; M99-H373 WeakPolarHBondContact CB-O 3.4Å; A100-H373 PolarHBondContact N-O 3.1Å; A100-H373 VanDerWaalsContact N-O 3.1Å; A100-H373 PolarHBondContact O-N 2.92Å; F102-H373 AromaticContact CD2-CE1 3.93Å; F102-H373 AromaticContact CD2-ND1 3.47Å; F102-H373 WeakPolarHBondContact CD2-ND1 3.27Å; F102-H373 AromaticContact CE2-ND1 3.56Å; S112-H373 PolarHBondContact N-NE2 3.32Å; S112-H373 PolarHBondContact O-CD2 2.94Å; S112-H373 PolarHBondContact O-NE2 3.48Å
374	R	98.7	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.9	174	-66.3	-170.1	-174.6	89	-1.1	109.2	M99 N354 I355 E359 V372 S377 F423 S425	M99-R374 HydrophobicContact CB-CG 4.44Å; N354-R374 CarbonylContact C-O 3.48Å; N354-R374 VanDerWaalsContact CA-O 3.25Å; N354-R374 WeakPolarHBondContact CA-O 3.14Å; I355-R374 HydrophobicContact CG2-CB 4.34Å; I355-R374 PolarHBondContact N-O 3.5Å; I355-R374 PolarHBondContact O-N 2.8Å; E359-R374 IonicContact OE1-CZ 3.62Å; E359-R374 IonicContact OE1-NH1 3.87Å; E359-R374 PolarHBondContact OE1-NH1 3.14Å; E359-R374 IonicContact OE1-NH2 2.73Å; E359-R374 PolarHBondContact OE1-NH2 3.24Å; E359-R374 IonicContact OE2-CZ 3.75Å; E359-R374 IonicContact OE2-NH1 3.65Å; E359-R374 IonicContact OE2-NH2 2.65Å; E359-R374 PolarHBondContact OE2-NH2 3.1Å; V372-R374 HydrophobicContact CG1-CG 4.17Å; R374-S377 VanDerWaalsContact CA-OG 3.22Å; R374-S377 WeakPolarHBondContact CA-OG 3.46Å; R374-S377 WeakPolarHBondContact CB-O 3.42Å; R374-S377 VanDerWaalsContact CB-OG 3.25Å; R374-S377 WeakPolarHBondContact CB-OG 3.4Å; R374-F423 PolarHBondContact NH2-O 3.27Å; R374-S425 PolarHBondContact NE-OG 3.29Å; R374-S425 PolarHBondContact NH2-OG 2.77Å
375	K	98.1	Very high	97.4	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.6	173	178.8	-177.3	-175.2	177.8	0	110.1	Y92 F94 G97 N98 G114 G115 H353 S377	Y92-K375 PolarHBondContact O-NZ 3.46Å; F94-K375 HydrophobicContact CB-CD 3.98Å; F94-K375 PolarHBondContact O-NZ 2.89Å; G97-K375 WeakPolarHBondContact CA-O 3.44Å; G97-K375 PolarHBondContact N-O 3.03Å; N98-K375 PolarHBondContact N-O 3.32Å; N98-K375 PolarHBondContact O-N 3.42Å; G114-K375 WeakPolarHBondContact O-CD 3.36Å; G114-K375 WeakPolarHBondContact O-CE 3.41Å; G114-K375 PolarHBondContact O-NZ 2.66Å; G115-K375 WeakPolarHBondContact O-CB 3.42Å; H353-K375 CarbonylContact O-C 3.55Å; K375-S377 PolarHBondContact N-OG 3.45Å; K375-S377 PolarHBondContact O-N 3.2Å
376	G	96.9	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	55	40.7	-166.5	0	0	0	0	0	111.8	G97 H353 N354 H428	G97-G376 VanDerWaalsContact CA-O 3.26Å; G97-G376 WeakPolarHBondContact CA-O 3.34Å; G97-G376 PolarHBondContact N-O 3.01Å; H353-G376 WeakPolarHBondContact O-CA 2.95Å; H353-G376 PolarHBondContact O-N 3.36Å; N354-G376 PolarHBondContact OD1-N 2.94Å; G376-H428 VanDerWaalsContact C-CG 3.47Å; G376-H428 WeakPolarHBondContact CA-ND1 3.44Å; G376-H428 PolarHBondContact O-ND1 3.47Å
377	S	97.6	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.			trans	-148.3	147.2	177.1	48.6	0	0	0	0	110.3	H353 R374 K375 T426	H353-S377 CarbonylContact C-O 3.43Å; H353-S377 WeakPolarHBondContact CA-O 3.47Å; H353-S377 PolarHBondContact O-N 3.08Å; R374-S377 VanDerWaalsContact CA-OG 3.22Å; R374-S377 WeakPolarHBondContact CA-OG 3.46Å; R374-S377 WeakPolarHBondContact CB-O 3.42Å; R374-S377 VanDerWaalsContact CB-OG 3.25Å; R374-S377 WeakPolarHBondContact CB-OG 3.4Å; K375-S377 PolarHBondContact N-OG 3.45Å; K375-S377 PolarHBondContact O-N 3.2Å; S377-T426 WeakPolarHBondContact CA-O 3.5Å
378	T	98.2	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.5	-165.5	-49	0	0	0	0	109.8	V351 V399 S425 T426 C427 H428	V351-T378 HydrophobicContact CB-CG2 4.09Å; V351-T378 HydrophobicContact CG1-CG2 3.6Å; V351-T378 HydrophobicContact CG2-CG2 3.33Å; T378-V399 HydrophobicContact CG2-CG1 3.76Å; T378-S425 CarbonylContact O-C 3.49Å; T378-S425 WeakPolarHBondContact O-CA 3.49Å; T378-T426 PolarHBondContact N-O 3.4Å; T378-T426 PolarHBondContact O-N 2.92Å; T378-C427 VanDerWaalsContact CB-O 3.31Å; T378-C427 WeakPolarHBondContact CB-O 3.24Å; T378-C427 PolarHBondContact OG1-O 3.15Å; T378-H428 WeakPolarHBondContact OG1-CA 3.34Å; T378-H428 WeakPolarHBondContact OG1-CB 3.17Å
379	R	98.5	Very high	97.8	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.1	170.8	-163.3	172.6	80.6	-172.2	-5.4	110.2	E194 E195 E359 F381 Q397 G424	E194-R379 WeakPolarHBondContact OE1-CB 3.31Å; E194-R379 WeakPolarHBondContact OE1-CD 3.32Å; E194-R379 IonicContact OE1-CZ 2.75Å; E194-R379 IonicContact OE1-NE 3.66Å; E194-R379 PolarHBondContact OE1-NE 3.48Å; E194-R379 VanDerWaalsContact OE1-NE 3.08Å; E194-R379 IonicContact OE1-NH1 2.74Å; E194-R379 PolarHBondContact OE1-NH1 3.19Å; E194-R379 IonicContact OE1-NH2 3.66Å; E195-R379 IonicContact OE1-CZ 3.79Å; E195-R379 IonicContact OE1-NH1 2.78Å; E195-R379 PolarHBondContact OE1-NH1 3.41Å; E195-R379 IonicContact OE1-NH2 2.62Å; E359-R379 WeakPolarHBondContact OE1-CD 3.33Å; R379-F381 VanDerWaalsContact CD-CE2 3.46Å; R379-F381 VanDerWaalsContact CD-CZ 3.41Å; R379-F381 HydrophobicContact CG-CD1 3.85Å; R379-F381 HydrophobicContact CG-CD2 4.26Å; R379-F381 HydrophobicContact CG-CE1 3.77Å; R379-F381 HydrophobicContact CG-CE2 4.19Å; R379-F381 HydrophobicContact CG-CG 4.13Å; R379-F381 HydrophobicContact CG-CZ 3.98Å; R379-F381 VanDerWaalsContact NE-CE2 3.28Å; R379-Q397 PolarHBondContact O-OE1 2.61Å; R379-G424 CarbonylContact C-O 3.6Å; R379-G424 WeakPolarHBondContact CA-O 3.45Å
380	A	98.4	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.			trans	-141.9	59.8	-171.1	0	0	0	0	0	109.9	V399 G414 G424 T426	A380-V399 HydrophobicContact CB-CG2 3.87Å; A380-G414 VanDerWaalsContact O-CA 3.23Å; A380-G414 WeakPolarHBondContact O-CA 2.87Å; A380-G424 PolarHBondContact N-O 2.96Å; A380-T426 HydrophobicContact CB-CG2 3.77Å
381	F	98.6	Very high	97.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-66	144.8	180	-72.7	-19.5	0	0	0	112.9	E359 R379 H385 L387 I388 Q397 G414 M419	E359-F381 HydrophobicContact CG-CZ 4.37Å; R379-F381 VanDerWaalsContact CD-CE2 3.46Å; R379-F381 VanDerWaalsContact CD-CZ 3.41Å; R379-F381 HydrophobicContact CG-CD1 3.85Å; R379-F381 HydrophobicContact CG-CD2 4.26Å; R379-F381 HydrophobicContact CG-CE1 3.77Å; R379-F381 HydrophobicContact CG-CE2 4.19Å; R379-F381 HydrophobicContact CG-CG 4.13Å; R379-F381 HydrophobicContact CG-CZ 3.98Å; R379-F381 VanDerWaalsContact NE-CE2 3.28Å; F381-H385 HydrophobicContact CB-CB 3.95Å; F381-H385 AromaticContact CD2-CE1 3.37Å; F381-H385 WeakPolarHBondContact CD2-CE1 3.25Å; F381-H385 AromaticContact CD2-CG 3.78Å; F381-H385 AromaticContact CD2-ND1 3.25Å; F381-H385 VanDerWaalsContact CD2-ND1 3.25Å; F381-H385 WeakPolarHBondContact CD2-ND1 3.15Å; F381-H385 AromaticContact CD2-NE2 3.92Å; F381-H385 AromaticContact CE2-CE1 3.27Å; F381-H385 WeakPolarHBondContact CE2-CE1 3.24Å; F381-H385 AromaticContact CE2-ND1 3.65Å; F381-H385 AromaticContact CE2-NE2 3.87Å; F381-H385 AromaticContact CG-CD2 3.96Å; F381-H385 AromaticContact CG-CE1 3.93Å; F381-H385 AromaticContact CG-CG 3.82Å; F381-H385 AromaticContact CG-ND1 3.79Å; F381-H385 AromaticContact CZ-CE1 3.74Å; F381-H385 AromaticContact CZ-NE2 3.93Å; F381-L387 HydrophobicContact CD2-CB 4.25Å; F381-L387 HydrophobicContact CE2-CB 4.03Å; F381-L387 HydrophobicContact CE2-CD1 3.93Å; F381-I388 HydrophobicContact CB-CG2 3.76Å; F381-I388 HydrophobicContact CD2-CG2 4.3Å; F381-Q397 HydrophobicContact CB-CB 4.12Å; F381-Q397 WeakPolarHBondContact O-CB 3.44Å; F381-Q397 PolarHBondContact O-N 2.8Å; F381-G414 WeakPolarHBondContact O-CA 3.47Å; F381-M419 HydrophobicContact CD1-CE 4.23Å; F381-M419 HydrophobicContact CD1-SD 3.65Å; F381-M419 HydrophobicContact CE1-CE 4.23Å; F381-M419 HydrophobicContact CE1-SD 4.13Å
382	P	98.5	Very high	97.6	Very high	5 Å²	5	30 Å²	30	3%	0.032	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-73.8	170.9	-174.4	33.6	-38.7	0	0	0	111.6	H385 I388 E416 M419	P382-H385 HydrophobicContact CG-CB 4.27Å; P382-H385 WeakPolarHBondContact O-CB 3.3Å; P382-H385 PolarHBondContact O-N 3.37Å; P382-I388 WeakPolarHBondContact O-CD1 3.07Å; P382-E416 HydrophobicContact CB-CG 4.04Å; P382-E416 WeakPolarHBondContact CB-OE1 3.33Å; P382-M419 HydrophobicContact CB-CG 4.41Å; P382-M419 WeakPolarHBondContact CD-SD 3.45Å; P382-M419 HydrophobicContact CG-CG 3.61Å; P382-M419 HydrophobicContact CG-SD 4.31Å
383	P	98.4	Very high	97.6	Very high	33 Å²	33	32.1 Å²	32.1	21%	0.214	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	149.3	160	-24.7	33.4	0	0	0	111.7	H385 Q393	P383-H385 PolarHBondContact O-N 3.29Å; P383-Q393 CarbonylContact C-O 3.5Å; P383-Q393 WeakPolarHBondContact CA-O 3.38Å
384	H	97.6	Very high	97.5	Very high	129 Å²	129	37.3 Å²	37.3	60%	0.597	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	5.6	178	-51.1	-67.4	0	0	0	116.3	Q393 L394	H384-Q393 PolarHBondContact N-O 3.38Å; H384-L394 WeakPolarHBondContact CE1-CD2 3.47Å
385	H	97.3	Very high	97.5	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.148	21%	0.206	C	C	.	.			trans	-69.1	132.6	177	-166.5	-80.5	0	0	0	111	F381 P382 P383 L387 I388 Q393	F381-H385 HydrophobicContact CB-CB 3.95Å; F381-H385 AromaticContact CD2-CE1 3.37Å; F381-H385 WeakPolarHBondContact CD2-CE1 3.25Å; F381-H385 AromaticContact CD2-CG 3.78Å; F381-H385 AromaticContact CD2-ND1 3.25Å; F381-H385 VanDerWaalsContact CD2-ND1 3.25Å; F381-H385 WeakPolarHBondContact CD2-ND1 3.15Å; F381-H385 AromaticContact CD2-NE2 3.92Å; F381-H385 AromaticContact CE2-CE1 3.27Å; F381-H385 WeakPolarHBondContact CE2-CE1 3.24Å; F381-H385 AromaticContact CE2-ND1 3.65Å; F381-H385 AromaticContact CE2-NE2 3.87Å; F381-H385 AromaticContact CG-CD2 3.96Å; F381-H385 AromaticContact CG-CE1 3.93Å; F381-H385 AromaticContact CG-CG 3.82Å; F381-H385 AromaticContact CG-ND1 3.79Å; F381-H385 AromaticContact CZ-CE1 3.74Å; F381-H385 AromaticContact CZ-NE2 3.93Å; P382-H385 HydrophobicContact CG-CB 4.27Å; P382-H385 WeakPolarHBondContact O-CB 3.3Å; P382-H385 PolarHBondContact O-N 3.37Å; P383-H385 PolarHBondContact O-N 3.29Å; H385-L387 PolarHBondContact ND1-N 3.2Å; H385-L387 PolarHBondContact O-N 3.11Å; H385-L387 VanDerWaalsContact O-N 3.09Å; H385-I388 HydrophobicContact CB-CG2 4.13Å; H385-I388 VanDerWaalsContact O-CG1 3.32Å; H385-I388 WeakPolarHBondContact O-CG1 3.3Å; H385-I388 PolarHBondContact O-N 3.37Å; H385-Q393 PolarHBondContact O-NE2 3.06Å
386	P	95.8	Very high	97.5	Very high	110 Å²	110	37.4 Å²	37.4	71%	0.714	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.5	-173	24.7	-35.4	0	0	0	114.2
387	L	95.5	Very high	97.6	Very high	96 Å²	96	37.4 Å²	37.4	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.7	-179.4	-58.2	-177.9	0	0	0	114.7	F381 H385	F381-L387 HydrophobicContact CD2-CB 4.25Å; F381-L387 HydrophobicContact CE2-CB 4.03Å; F381-L387 HydrophobicContact CE2-CD1 3.93Å; H385-L387 PolarHBondContact ND1-N 3.2Å; H385-L387 PolarHBondContact O-N 3.11Å; H385-L387 VanDerWaalsContact O-N 3.09Å
388	I	96.5	Very high	97.6	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-97.6	150.9	175.4	74	174.7	0	0	0	111	F381 P382 H385 Y392 Q393 Q397	F381-I388 HydrophobicContact CB-CG2 3.76Å; F381-I388 HydrophobicContact CD2-CG2 4.3Å; P382-I388 WeakPolarHBondContact O-CD1 3.07Å; H385-I388 HydrophobicContact CB-CG2 4.13Å; H385-I388 VanDerWaalsContact O-CG1 3.32Å; H385-I388 WeakPolarHBondContact O-CG1 3.3Å; H385-I388 PolarHBondContact O-N 3.37Å; I388-Y392 WeakPolarHBondContact CD1-O 3.23Å; I388-Q393 VanDerWaalsContact CG1-NE2 3.28Å; I388-Q393 PolarHBondContact O-NE2 3.1Å; I388-Q397 HydrophobicContact CG2-CB 3.72Å; I388-Q397 HydrophobicContact CG2-CG 4.11Å
389	P	96.9	Very high	97.7	Very high	11 Å²	11	37.3 Å²	37.3	7%	0.071	20%	0.204	C	C	.	.			trans	-56.7	149.5	179.7	-23.5	33.8	0	0	0	112.2	E191 Y349 D391 Y392 Q393	E191-P389 WeakPolarHBondContact O-CG 3.4Å; Y349-P389 HydrophobicContact CD2-CG 4.25Å; Y349-P389 HydrophobicContact CE2-CG 3.6Å; P389-D391 PolarHBondContact O-N 3.39Å; P389-Y392 HydrophobicContact CB-CD2 3.86Å; P389-Y392 HydrophobicContact CB-CE2 4.37Å; P389-Y392 HydrophobicContact CG-CD2 3.74Å; P389-Y392 HydrophobicContact CG-CE2 4.19Å; P389-Y392 PolarHBondContact O-N 3.4Å; P389-Q393 PolarHBondContact O-N 3.4Å
390	V	96.7	Very high	97.7	Very high	111 Å²	111	37.2 Å²	37.2	67%	0.673	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-55.4	-39.9	-174.7	64.9	0	0	0	0	112.3	Y392 Q393	V390-Y392 PolarHBondContact O-N 3.36Å; V390-Q393 WeakPolarHBondContact O-CB 3.38Å; V390-Q393 VanDerWaalsContact O-CG 3.28Å; V390-Q393 WeakPolarHBondContact O-CG 3.33Å; V390-Q393 PolarHBondContact O-N 3Å
391	D	96.6	Very high	97.6	Very high	77 Å²	77	37.2 Å²	37.2	41%	0.412	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-70.5	-19.1	-177.6	-62.5	-31.1	0	0	0	113.4	P389	P389-D391 PolarHBondContact O-N 3.39Å
392	Y	98.2	Very high	97.4	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.02	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-103.6	2.6	-179.2	-54.8	-32.9	0	0	0	113.4	H192 K245 M246 I348 Y349 I388 P389 V390 L394 T395 G396 P398	H192-Y392 AromaticContact CD2-CE2 3.61Å; H192-Y392 AromaticContact CD2-CZ 3.8Å; K245-Y392 HydrophobicContact CB-CD1 4.37Å; K245-Y392 HydrophobicContact CB-CE1 4.48Å; M246-Y392 HydrophobicContact CG-CE1 3.77Å; I348-Y392 WeakPolarHBondContact O-CE2 3.35Å; I348-Y392 PolarHBondContact O-OH 3.04Å; Y349-Y392 HydrophobicContact CD2-CE2 4.15Å; I388-Y392 WeakPolarHBondContact CD1-O 3.23Å; P389-Y392 HydrophobicContact CB-CD2 3.86Å; P389-Y392 HydrophobicContact CB-CE2 4.37Å; P389-Y392 HydrophobicContact CG-CD2 3.74Å; P389-Y392 HydrophobicContact CG-CE2 4.19Å; P389-Y392 PolarHBondContact O-N 3.4Å; V390-Y392 PolarHBondContact O-N 3.36Å; Y392-L394 PolarHBondContact O-N 3.16Å; Y392-L394 VanDerWaalsContact O-N 3.07Å; Y392-T395 WeakPolarHBondContact CA-OG1 2.99Å; Y392-T395 PolarHBondContact O-N 3.24Å; Y392-T395 PolarHBondContact O-OG1 3.06Å; Y392-T395 VanDerWaalsContact O-OG1 3.14Å; Y392-G396 PolarHBondContact O-N 3.29Å; Y392-P398 HydrophobicContact CD1-CG 4.47Å; Y392-P398 VanDerWaalsContact CD2-CD 3.44Å; Y392-P398 HydrophobicContact CD2-CG 3.35Å; Y392-P398 HydrophobicContact CE1-CG 4.48Å; Y392-P398 HydrophobicContact CE2-CG 3.33Å; Y392-P398 HydrophobicContact CG-CG 3.96Å
393	Q	97.7	Very high	97	Very high	45 Å²	45	37.7 Å²	37.7	21%	0.21	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.3	179.8	-74	-69	-31.7	0	0	113.5	P383 H384 H385 I388 P389 V390	P383-Q393 CarbonylContact C-O 3.5Å; P383-Q393 WeakPolarHBondContact CA-O 3.38Å; H384-Q393 PolarHBondContact N-O 3.38Å; H385-Q393 PolarHBondContact O-NE2 3.06Å; I388-Q393 VanDerWaalsContact CG1-NE2 3.28Å; I388-Q393 PolarHBondContact O-NE2 3.1Å; P389-Q393 PolarHBondContact O-N 3.4Å; V390-Q393 WeakPolarHBondContact O-CB 3.38Å; V390-Q393 VanDerWaalsContact O-CG 3.28Å; V390-Q393 WeakPolarHBondContact O-CG 3.33Å; V390-Q393 PolarHBondContact O-N 3Å
394	L	97.6	Very high	96.5	Very high	109 Å²	109	36.4 Å²	36.4	57%	0.571	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.2	179.2	-58.3	-176.2	0	0	0	113.9	H384 Y392	H384-L394 WeakPolarHBondContact CE1-CD2 3.47Å; Y392-L394 PolarHBondContact O-N 3.16Å; Y392-L394 VanDerWaalsContact O-N 3.07Å
395	T	98	Very high	95.9	Very high	10 Å²	10	30.5 Å²	30.5	6%	0.061	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-22.7	-171.8	57.3	0	0	0	0	112.6	A242 K245 Y392 T413	A242-T395 HydrophobicContact CB-CG2 3.81Å; K245-T395 HydrophobicContact CB-CG2 4.4Å; K245-T395 HydrophobicContact CG-CG2 4.16Å; Y392-T395 WeakPolarHBondContact CA-OG1 2.99Å; Y392-T395 PolarHBondContact O-N 3.24Å; Y392-T395 PolarHBondContact O-OG1 3.06Å; Y392-T395 VanDerWaalsContact O-OG1 3.14Å; T395-T413 WeakPolarHBondContact O-CB 3.13Å; T395-T413 WeakPolarHBondContact O-CG2 3.12Å; T395-T413 PolarHBondContact O-OG1 3.47Å
396	G	98.3	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.			trans	90.9	167.8	-170.2	0	0	0	0	0	112.5	Y392	Y392-G396 PolarHBondContact O-N 3.29Å
397	Q	98.7	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.			trans	-60.7	129.1	-178.3	-167	179.5	2.1	0	0	110.5	Y349 R379 F381 I388 V399 T413 G414	Y349-Q397 HydrophobicContact CE1-CG 3.61Å; Y349-Q397 PolarHBondContact OH-NE2 3.42Å; Y349-Q397 VanDerWaalsContact OH-NE2 3.09Å; R379-Q397 PolarHBondContact O-OE1 2.61Å; F381-Q397 HydrophobicContact CB-CB 4.12Å; F381-Q397 WeakPolarHBondContact O-CB 3.44Å; F381-Q397 PolarHBondContact O-N 2.8Å; I388-Q397 HydrophobicContact CG2-CB 3.72Å; I388-Q397 HydrophobicContact CG2-CG 4.11Å; Q397-V399 PolarHBondContact O-N 2.99Å; Q397-T413 CarbonylContact O-C 3.52Å; Q397-T413 VanDerWaalsContact O-CA 3.26Å; Q397-T413 WeakPolarHBondContact O-CA 3.33Å; Q397-G414 PolarHBondContact O-N 3.3Å
398	P	98.7	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.1	169.9	-15.9	26.6	0	0	0	110.8	M246 Y349 Y392 L412	M246-P398 HydrophobicContact CE-CB 3.92Å; M246-P398 HydrophobicContact CE-CG 4Å; Y349-P398 HydrophobicContact CD1-CB 4.01Å; Y349-P398 HydrophobicContact CD1-CG 4.22Å; Y349-P398 WeakPolarHBondContact CD1-O 3.4Å; Y349-P398 HydrophobicContact CD2-CG 4.16Å; Y349-P398 HydrophobicContact CG-CB 3.92Å; Y349-P398 HydrophobicContact CG-CG 3.85Å; Y392-P398 HydrophobicContact CD1-CG 4.47Å; Y392-P398 VanDerWaalsContact CD2-CD 3.44Å; Y392-P398 HydrophobicContact CD2-CG 3.35Å; Y392-P398 HydrophobicContact CE1-CG 4.48Å; Y392-P398 HydrophobicContact CE2-CG 3.33Å; Y392-P398 HydrophobicContact CG-CG 3.96Å; P398-L412 CarbonylContact C-O 3.42Å; P398-L412 WeakPolarHBondContact CA-O 3.4Å
399	V	98.5	Very high	95.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.5	177.4	179.4	0	0	0	0	107.7	T378 A380 Q397 I401 V411 L412 T426	T378-V399 HydrophobicContact CG2-CG1 3.76Å; A380-V399 HydrophobicContact CB-CG2 3.87Å; Q397-V399 PolarHBondContact O-N 2.99Å; V399-I401 HydrophobicContact CG1-CD1 3.59Å; V399-I401 HydrophobicContact CG1-CG1 4.27Å; V399-V411 CarbonylContact O-C 3.51Å; V399-V411 WeakPolarHBondContact O-CA 3.32Å; V399-L412 HydrophobicContact CB-CB 4.07Å; V399-L412 PolarHBondContact N-O 3.32Å; V399-L412 PolarHBondContact O-N 3.49Å; V399-T426 HydrophobicContact CB-CG2 4.27Å; V399-T426 HydrophobicContact CG1-CG2 3.38Å; V399-T426 HydrophobicContact CG2-CG2 4.06Å
400	L	98.6	Very high	95.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.6	-174.2	-53.7	178.3	0	0	0	109.6	V124 L126 Y349 V351 V411	V124-L400 HydrophobicContact CB-CB 3.94Å; V124-L400 HydrophobicContact CB-CD1 4.34Å; V124-L400 HydrophobicContact CG1-CB 3.74Å; V124-L400 HydrophobicContact CG1-CD1 4.07Å; V124-L400 WeakPolarHBondContact O-CD1 3.28Å; L126-L400 HydrophobicContact CB-CD1 3.75Å; L126-L400 HydrophobicContact CB-CD2 3.8Å; L126-L400 HydrophobicContact CB-CG 4.42Å; L126-L400 HydrophobicContact CD2-CD2 3.91Å; Y349-L400 VanDerWaalsContact O-CD1 3.28Å; Y349-L400 WeakPolarHBondContact O-CD1 3.44Å; V351-L400 HydrophobicContact CG1-CB 4.14Å; V351-L400 HydrophobicContact CG1-CD1 4.48Å; V351-L400 HydrophobicContact CG1-CG 4.29Å; L400-V411 HydrophobicContact CD2-CG1 4.15Å; L400-V411 HydrophobicContact CD2-CG2 4.03Å
401	I	98	Very high	95.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.2	-175.3	-53.4	-56.1	0	0	0	109.4	V399 S409 Y410 L412 C427 V478 V482	V399-I401 HydrophobicContact CG1-CD1 3.59Å; V399-I401 HydrophobicContact CG1-CG1 4.27Å; I401-S409 CarbonylContact O-C 3.59Å; I401-S409 WeakPolarHBondContact O-CA 3.44Å; I401-S409 VanDerWaalsContact O-CB 3.29Å; I401-S409 WeakPolarHBondContact O-CB 3.45Å; I401-Y410 PolarHBondContact N-O 3.5Å; I401-Y410 PolarHBondContact O-N 3.34Å; I401-L412 HydrophobicContact CD1-CD1 4.22Å; I401-L412 HydrophobicContact CG1-CD1 3.64Å; I401-L412 HydrophobicContact CG1-CG 3.87Å; I401-C427 WeakPolarHBondContact CD1-O 3.35Å; I401-V478 HydrophobicContact CG2-CG2 3.86Å; I401-V482 HydrophobicContact CB-CG2 4.49Å; I401-V482 HydrophobicContact CG2-CG2 3.96Å
402	G	93.6	Very high	95.8	Very high	5 Å²	5	12.8 Å²	12.8	5%	0.052	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-74.4	132.3	177.2	0	0	0	0	0	112.5	Y228 H428 G429 A430	Y228-G402 WeakPolarHBondContact OH-CA 3.41Å; G402-H428 PolarHBondContact N-O 3.34Å; G402-G429 WeakPolarHBondContact O-CA 3.2Å; G402-A430 PolarHBondContact O-N 3.43Å
403	G	89.3	Confident	95.9	Very high	11 Å²	11	12.6 Å²	12.6	11%	0.113	7%	0.074	C	C	.	.			trans	-79.1	-140	165.8	0	0	0	0	0	112.7	C408 S409	G403-C408 WeakPolarHBondContact CA-O 3.2Å; G403-S409 PolarHBondContact N-OG 2.97Å; G403-S409 VanDerWaalsContact N-OG 3.07Å
404	T	87.5	Confident	95.9	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.043	6%	0.064	C	C	.	.			trans	-118.9	173.5	167.6	70.7	0	0	0	0	108.4	G406 T407 Y475	T404-G406 PolarHBondContact O-N 2.95Å; T404-G406 PolarHBondContact OG1-N 2.74Å; T404-T407 PolarHBondContact N-OG1 2.93Å; T404-T407 PolarHBondContact O-N 3.02Å; T404-T407 WeakPolarHBondContact OG1-CG2 3.39Å; T404-T407 PolarHBondContact OG1-N 3.27Å; T404-T407 PolarHBondContact OG1-OG1 3.4Å; T404-Y475 HydrophobicContact CG2-CD1 4.27Å; T404-Y475 HydrophobicContact CG2-CD2 3.36Å; T404-Y475 HydrophobicContact CG2-CE2 4.1Å; T404-Y475 HydrophobicContact CG2-CG 3.47Å; T404-Y475 VanDerWaalsContact CG2-CG 3.47Å
405	M	86.9	Confident	95.9	Very high	5 Å²	5	5.9 Å²	5.9	3%	0.025	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-12.6	177.7	62.3	-179.1	171.5	0	0	115.7	E230 V448 L452 I459 V467 A471 V502	E230-M405 WeakPolarHBondContact OE1-CA 3.2Å; M405-V448 HydrophobicContact CE-CG1 3.47Å; M405-V448 VanDerWaalsContact CE-CG1 3.47Å; M405-L452 HydrophobicContact CE-CD1 4.17Å; M405-L452 HydrophobicContact CG-CD1 4Å; M405-L452 HydrophobicContact CG-CD2 4.35Å; M405-L452 WeakPolarHBondContact O-CD2 3.48Å; M405-L452 HydrophobicContact SD-CD1 3.78Å; M405-I459 HydrophobicContact SD-CD1 3.82Å; M405-V467 HydrophobicContact CE-CB 4.38Å; M405-V467 HydrophobicContact CE-CG1 4.17Å; M405-V467 HydrophobicContact CE-CG2 3.93Å; M405-V467 VanDerWaalsContact CE-O 3.32Å; M405-V467 WeakPolarHBondContact CE-O 3.46Å; M405-V467 HydrophobicContact SD-CG2 3.77Å; M405-A471 HydrophobicContact CE-CB 4.41Å; M405-V502 HydrophobicContact CB-CG1 3.99Å; M405-V502 HydrophobicContact CB-CG2 4.41Å
406	G	89.1	Confident	95.9	Very high	7 Å²	7	11 Å²	11	7%	0.072	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	12.1	179.7	0	0	0	0	0	115	T404 K455	T404-G406 PolarHBondContact O-N 2.95Å; T404-G406 PolarHBondContact OG1-N 2.74Å; G406-K455 PolarHBondContact O-NZ 2.94Å
407	T	93.1	Very high	95.8	Very high	40 Å²	40	15.7 Å²	15.7	25%	0.245	8%	0.084	C	C	.	.	S	Bend	trans	-127.1	167	180	61.4	0	0	0	0	111.4	T404 P472 P499	T404-T407 PolarHBondContact N-OG1 2.93Å; T404-T407 PolarHBondContact O-N 3.02Å; T404-T407 WeakPolarHBondContact OG1-CG2 3.39Å; T404-T407 PolarHBondContact OG1-N 3.27Å; T404-T407 PolarHBondContact OG1-OG1 3.4Å; T407-P472 HydrophobicContact CG2-CB 3.91Å; T407-P472 HydrophobicContact CG2-CG 4.44Å; T407-P499 WeakPolarHBondContact O-CD 3.32Å; T407-P499 WeakPolarHBondContact O-CG 3.48Å
408	C	96.7	Very high	95.8	Very high	18 Å²	18	15.7 Å²	15.7	12%	0.122	8%	0.084	C	C	.	.			trans	-67	158.1	178.9	52.7	0	0	0	0	112.3	G403 Y410 V478 K496 L497	G403-C408 WeakPolarHBondContact CA-O 3.2Å; C408-Y410 VanDerWaalsContact SG-CE2 3.59Å; C408-V478 WeakPolarHBondContact O-CG1 3.31Å; C408-K496 HydrophobicContact CB-CG 4.06Å; C408-L497 CarbonylContact C-O 3.6Å; C408-L497 WeakPolarHBondContact CA-O 3.49Å; C408-L497 WeakPolarHBondContact CB-O 3.04Å
409	S	98.3	Very high	95.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	165.3	165.2	-65	0	0	0	0	109.1	Q232 I401 G403 L497	Q232-S409 PolarHBondContact NE2-OG 3.24Å; Q232-S409 VanDerWaalsContact NE2-OG 3.07Å; I401-S409 CarbonylContact O-C 3.59Å; I401-S409 WeakPolarHBondContact O-CA 3.44Å; I401-S409 VanDerWaalsContact O-CB 3.29Å; I401-S409 WeakPolarHBondContact O-CB 3.45Å; G403-S409 PolarHBondContact N-OG 2.97Å; G403-S409 VanDerWaalsContact N-OG 3.07Å; S409-L497 PolarHBondContact N-O 2.67Å; S409-L497 PolarHBondContact O-N 3.44Å
410	Y	98.7	Very high	95.5	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.016	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.3	178.2	-71.7	-95	0	0	0	112.1	F238 I401 C408 V478 T479 V482 K493 L495 K496	F238-Y410 HydrophobicContact CE2-CD1 4.24Å; F238-Y410 AromaticContact CE2-CE1 3.94Å; F238-Y410 HydrophobicContact CE2-CE1 3.94Å; F238-Y410 HydrophobicContact CZ-CE1 4.23Å; I401-Y410 PolarHBondContact N-O 3.5Å; I401-Y410 PolarHBondContact O-N 3.34Å; C408-Y410 VanDerWaalsContact SG-CE2 3.59Å; Y410-V478 HydrophobicContact CD2-CG2 4.26Å; Y410-V478 HydrophobicContact CE2-CG1 4.27Å; Y410-T479 WeakPolarHBondContact OH-CG2 3.29Å; Y410-T479 PolarHBondContact OH-OG1 3.48Å; Y410-V482 HydrophobicContact CD1-CG1 4.22Å; Y410-V482 HydrophobicContact CD2-CB 4.37Å; Y410-V482 HydrophobicContact CD2-CG2 3.75Å; Y410-V482 HydrophobicContact CE2-CG2 4.31Å; Y410-V482 HydrophobicContact CG-CB 4.5Å; Y410-V482 HydrophobicContact CG-CG1 4.23Å; Y410-V482 HydrophobicContact CG-CG2 3.98Å; Y410-K493 HydrophobicContact CE1-CD 4.5Å; Y410-L495 VanDerWaalsContact CA-O 3.3Å; Y410-L495 WeakPolarHBondContact CA-O 3.38Å; Y410-L495 WeakPolarHBondContact CD1-O 3.42Å; Y410-K496 HydrophobicContact CD1-CB 4.19Å; Y410-K496 HydrophobicContact CD1-CG 4.28Å; Y410-K496 HydrophobicContact CE1-CB 3.84Å; Y410-K496 HydrophobicContact CE1-CD 4.09Å; Y410-K496 HydrophobicContact CE1-CG 3.67Å; Y410-K496 HydrophobicContact CE2-CG 4.48Å; Y410-K496 WeakPolarHBondContact OH-CE 3.47Å
411	V	98.7	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.3	161.8	-175.3	0	0	0	0	107.6	L126 M246 V399 L400 V494 L495 L497	L126-V411 HydrophobicContact CD2-CG2 3.46Å; L126-V411 VanDerWaalsContact CD2-CG2 3.46Å; M246-V411 HydrophobicContact CE-CG1 4.11Å; M246-V411 HydrophobicContact SD-CG1 3.64Å; V399-V411 CarbonylContact O-C 3.51Å; V399-V411 WeakPolarHBondContact O-CA 3.32Å; L400-V411 HydrophobicContact CD2-CG1 4.15Å; L400-V411 HydrophobicContact CD2-CG2 4.03Å; V411-V494 WeakPolarHBondContact O-CA 3.32Å; V411-V494 WeakPolarHBondContact O-CB 3.1Å; V411-V494 PolarHBondContact O-N 2.95Å; V411-L495 HydrophobicContact CB-CB 3.96Å; V411-L495 HydrophobicContact CB-CD1 4.11Å; V411-L495 HydrophobicContact CB-CG 4.16Å; V411-L495 HydrophobicContact CG2-CB 4.16Å; V411-L495 HydrophobicContact CG2-CD1 3.96Å; V411-L495 HydrophobicContact CG2-CG 4.44Å; V411-L495 PolarHBondContact N-O 2.95Å; V411-L495 PolarHBondContact O-N 3.32Å; V411-L497 HydrophobicContact CG2-CD1 4.02Å
412	L	98.8	Very high	95.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	173.8	177.2	-37.5	177.3	0	0	0	109.8	P398 V399 I401 V482 S491 N492 K493	P398-L412 CarbonylContact C-O 3.42Å; P398-L412 WeakPolarHBondContact CA-O 3.4Å; V399-L412 HydrophobicContact CB-CB 4.07Å; V399-L412 PolarHBondContact N-O 3.32Å; V399-L412 PolarHBondContact O-N 3.49Å; I401-L412 HydrophobicContact CD1-CD1 4.22Å; I401-L412 HydrophobicContact CG1-CD1 3.64Å; I401-L412 HydrophobicContact CG1-CG 3.87Å; L412-V482 HydrophobicContact CD1-CG1 4.23Å; L412-V482 HydrophobicContact CD1-CG2 4.48Å; L412-V482 HydrophobicContact CD2-CG1 3.52Å; L412-S491 WeakPolarHBondContact CD1-OG 3.47Å; L412-N492 CarbonylContact C-O 3.56Å; L412-N492 WeakPolarHBondContact CA-O 3.27Å; L412-N492 VanDerWaalsContact CB-O 3.23Å; L412-N492 WeakPolarHBondContact CB-O 3.43Å; L412-K493 HydrophobicContact CD2-CB 4.3Å; L412-K493 HydrophobicContact CD2-CG 3.93Å
413	T	98.7	Very high	95.5	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.8	166	51.2	0	0	0	0	112.1	A242 M246 T395 Q397 S491 N492 V494	A242-T413 HydrophobicContact CB-CG2 4.46Å; M246-T413 HydrophobicContact CE-CG2 3.68Å; T395-T413 WeakPolarHBondContact O-CB 3.13Å; T395-T413 WeakPolarHBondContact O-CG2 3.12Å; T395-T413 PolarHBondContact O-OG1 3.47Å; Q397-T413 CarbonylContact O-C 3.52Å; Q397-T413 VanDerWaalsContact O-CA 3.26Å; Q397-T413 WeakPolarHBondContact O-CA 3.33Å; T413-S491 CarbonylContact O-C 3.52Å; T413-S491 WeakPolarHBondContact O-CA 3.31Å; T413-S491 WeakPolarHBondContact O-CB 3.47Å; T413-N492 PolarHBondContact N-O 3.42Å; T413-N492 PolarHBondContact O-N 2.98Å; T413-V494 HydrophobicContact CG2-CG2 3.69Å
414	G	98.4	Very high	95.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.123	C	C	.	.			trans	-69.2	160	174.7	0	0	0	0	0	114.1	A380 F381 Q397	A380-G414 VanDerWaalsContact O-CA 3.23Å; A380-G414 WeakPolarHBondContact O-CA 2.87Å; F381-G414 WeakPolarHBondContact O-CA 3.47Å; Q397-G414 PolarHBondContact O-N 3.3Å
415	T	98.3	Very high	96.4	Very high	12 Å²	12	23.1 Å²	23.1	7%	0.074	12%	0.121	C	C	.	.			trans	-137.3	157.1	-173.1	65	0	0	0	0	112.4	K417 A418 M419 G489 I490 N492	T415-K417 VanDerWaalsContact C-N 3.25Å; T415-K417 PolarHBondContact O-N 3.31Å; T415-A418 VanDerWaalsContact O-CB 3.28Å; T415-A418 WeakPolarHBondContact O-CB 3.46Å; T415-A418 PolarHBondContact O-N 3.3Å; T415-A418 PolarHBondContact OG1-N 2.87Å; T415-M419 PolarHBondContact O-N 3.19Å; T415-G489 WeakPolarHBondContact CB-O 3.36Å; T415-G489 PolarHBondContact OG1-O 3.18Å; T415-I490 WeakPolarHBondContact OG1-CA 3.34Å; T415-N492 WeakPolarHBondContact CG2-ND2 3.4Å
416	E	97.5	Very high	97	Very high	117 Å²	117	22.9 Å²	22.9	55%	0.547	12%	0.119	S	C	.	.	H	α-helix	trans	-59.5	-39.2	174.9	-73.3	-62.8	164.7	0	0	112.1	P382 A418 M419 T420	P382-E416 HydrophobicContact CB-CG 4.04Å; P382-E416 WeakPolarHBondContact CB-OE1 3.33Å; E416-A418 PolarHBondContact O-N 2.94Å; E416-M419 WeakPolarHBondContact O-CB 3.41Å; E416-M419 PolarHBondContact O-N 2.94Å; E416-T420 PolarHBondContact O-N 3.35Å
417	K	96.9	Very high	97.4	Very high	99 Å²	99	22.6 Å²	22.6	43%	0.43	12%	0.116	S	C	.	.	H	α-helix	trans	-64	-30.3	177.1	-172.7	174.5	-176.6	-170.4	0	111.9	T415 M419 T420 E421 A488 G489	T415-K417 VanDerWaalsContact C-N 3.25Å; T415-K417 PolarHBondContact O-N 3.31Å; K417-M419 VanDerWaalsContact C-N 3.33Å; K417-T420 PolarHBondContact O-N 2.83Å; K417-T420 PolarHBondContact O-OG1 2.82Å; K417-E421 HydrophobicContact CG-CG 3.73Å; K417-E421 WeakPolarHBondContact O-CA 3.46Å; K417-E421 WeakPolarHBondContact O-CB 3.39Å; K417-E421 WeakPolarHBondContact O-CG 3.36Å; K417-E421 PolarHBondContact O-N 2.97Å; K417-A488 VanDerWaalsContact CD-O 3.31Å; K417-A488 WeakPolarHBondContact CD-O 3.44Å; K417-A488 WeakPolarHBondContact CE-O 3.42Å; K417-A488 PolarHBondContact NZ-O 3.18Å; K417-G489 WeakPolarHBondContact CB-O 3.34Å
418	A	97.8	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-38.4	171.8	0	0	0	0	0	111.8	T415 E416 T420 E421 T422 F423 G424 I490	T415-A418 VanDerWaalsContact O-CB 3.28Å; T415-A418 WeakPolarHBondContact O-CB 3.46Å; T415-A418 PolarHBondContact O-N 3.3Å; T415-A418 PolarHBondContact OG1-N 2.87Å; E416-A418 PolarHBondContact O-N 2.94Å; A418-T420 VanDerWaalsContact C-N 3.32Å; A418-T420 PolarHBondContact O-N 2.72Å; A418-E421 PolarHBondContact O-N 2.95Å; A418-T422 WeakPolarHBondContact CA-OG1 3.46Å; A418-T422 CarbonylContact O-C 3.6Å; A418-T422 VanDerWaalsContact O-C 3.31Å; A418-T422 WeakPolarHBondContact O-CA 3.42Å; A418-T422 PolarHBondContact O-N 3.13Å; A418-T422 PolarHBondContact O-OG1 3.21Å; A418-T422 VanDerWaalsContact O-OG1 3.04Å; A418-F423 PolarHBondContact O-N 3.11Å; A418-F423 VanDerWaalsContact O-N 3.17Å; A418-G424 PolarHBondContact O-N 2.9Å; A418-I490 HydrophobicContact CB-CB 4.17Å; A418-I490 WeakPolarHBondContact CB-O 3.39Å
419	M	97	Very high	97.3	Very high	30 Å²	30	20.9 Å²	20.9	15%	0.148	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-43.1	176.8	-65.2	-56.6	-68.6	0	0	111.9	F381 P382 T415 E416 K417 G424	F381-M419 HydrophobicContact CD1-CE 4.23Å; F381-M419 HydrophobicContact CD1-SD 3.65Å; F381-M419 HydrophobicContact CE1-CE 4.23Å; F381-M419 HydrophobicContact CE1-SD 4.13Å; P382-M419 HydrophobicContact CB-CG 4.41Å; P382-M419 WeakPolarHBondContact CD-SD 3.45Å; P382-M419 HydrophobicContact CG-CG 3.61Å; P382-M419 HydrophobicContact CG-SD 4.31Å; T415-M419 PolarHBondContact O-N 3.19Å; E416-M419 WeakPolarHBondContact O-CB 3.41Å; E416-M419 PolarHBondContact O-N 2.94Å; K417-M419 VanDerWaalsContact C-N 3.33Å; M419-G424 WeakPolarHBondContact SD-CA 3.45Å
420	T	93.9	Very high	96.9	Very high	87 Å²	87	21 Å²	21	53%	0.534	11%	0.105	S	C	.	.	H	α-helix	trans	-78.5	-36.6	178.6	57.4	0	0	0	0	112.7	R81 E416 K417 A418	R81-T420 PolarHBondContact NH2-O 3.29Å; R81-T420 VanDerWaalsContact NH2-O 3.08Å; E416-T420 PolarHBondContact O-N 3.35Å; K417-T420 PolarHBondContact O-N 2.83Å; K417-T420 PolarHBondContact O-OG1 2.82Å; A418-T420 VanDerWaalsContact C-N 3.32Å; A418-T420 PolarHBondContact O-N 2.72Å
421	E	94.7	Very high	96.3	Very high	58 Å²	58	21 Å²	21	27%	0.271	11%	0.106	S	C	.	.	H	α-helix	trans	-90	-37.5	-169.5	-67.1	-69.7	-175.3	0	0	113.8	R81 K417 A418 I490	R81-E421 IonicContact CZ-OE2 3.63Å; R81-E421 PolarHBondContact NE-O 3.46Å; R81-E421 IonicContact NH1-OE2 3.21Å; R81-E421 PolarHBondContact NH1-OE2 3.11Å; R81-E421 PolarHBondContact NH2-O 2.97Å; R81-E421 IonicContact NH2-OE2 3.79Å; R81-E421 PolarHBondContact NH2-OE2 3.01Å; K417-E421 HydrophobicContact CG-CG 3.73Å; K417-E421 WeakPolarHBondContact O-CA 3.46Å; K417-E421 WeakPolarHBondContact O-CB 3.39Å; K417-E421 WeakPolarHBondContact O-CG 3.36Å; K417-E421 PolarHBondContact O-N 2.97Å; A418-E421 PolarHBondContact O-N 2.95Å; E421-I490 HydrophobicContact CB-CG2 4.32Å
422	T	97.5	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-139.3	26.8	-165.6	56.9	0	0	0	0	111.8	Y37 V83 M99 A418 G424 S425 I490	Y37-T422 HydrophobicContact CE2-CG2 3.76Å; V83-T422 HydrophobicContact CG1-CG2 4.02Å; M99-T422 WeakPolarHBondContact CE-O 2.97Å; A418-T422 WeakPolarHBondContact CA-OG1 3.46Å; A418-T422 CarbonylContact O-C 3.6Å; A418-T422 VanDerWaalsContact O-C 3.31Å; A418-T422 WeakPolarHBondContact O-CA 3.42Å; A418-T422 PolarHBondContact O-N 3.13Å; A418-T422 PolarHBondContact O-OG1 3.21Å; A418-T422 VanDerWaalsContact O-OG1 3.04Å; T422-G424 PolarHBondContact O-N 3.14Å; T422-G424 VanDerWaalsContact O-N 3.15Å; T422-S425 WeakPolarHBondContact CB-O 3.3Å; T422-S425 WeakPolarHBondContact O-CB 3.37Å; T422-S425 PolarHBondContact O-N 3Å; T422-S425 PolarHBondContact O-OG 2.97Å; T422-S425 PolarHBondContact OG1-N 3.29Å; T422-S425 PolarHBondContact OG1-O 2.82Å; T422-I490 HydrophobicContact CG2-CD1 4.41Å; T422-I490 HydrophobicContact CG2-CG2 4.01Å
423	F	97.6	Very high	95.3	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.026	13%	0.127	C	C	.	.	S	Bend	trans	47.9	45.1	-178.1	-58	-73.2	0	0	0	111.7	V79 H80 M99 A101 H361 V363 L370 V372 R374 A418 S425	V79-F423 HydrophobicContact CG1-CZ 4.36Å; H80-F423 HydrophobicContact CB-CE2 4.13Å; H80-F423 HydrophobicContact CB-CZ 3.56Å; M99-F423 HydrophobicContact CE-CB 3.97Å; M99-F423 HydrophobicContact CE-CD2 3.59Å; M99-F423 HydrophobicContact CE-CG 4.25Å; A101-F423 HydrophobicContact CB-CD1 4.27Å; A101-F423 HydrophobicContact CB-CD2 3.73Å; A101-F423 HydrophobicContact CB-CE1 4.16Å; A101-F423 HydrophobicContact CB-CE2 3.62Å; A101-F423 HydrophobicContact CB-CG 4.05Å; A101-F423 HydrophobicContact CB-CZ 3.82Å; H361-F423 HydrophobicContact CB-CD1 3.89Å; H361-F423 HydrophobicContact CB-CE1 4.38Å; H361-F423 PolarHBondContact CE1-O 2.7Å; H361-F423 AromaticContact CG-CD1 3.77Å; H361-F423 AromaticContact ND1-CD1 3.95Å; V363-F423 HydrophobicContact CG2-CE1 4.01Å; L370-F423 HydrophobicContact CD1-CD1 3.77Å; L370-F423 HydrophobicContact CD1-CE1 3.45Å; L370-F423 VanDerWaalsContact CD1-CE1 3.45Å; L370-F423 HydrophobicContact CD1-CZ 4.18Å; V372-F423 HydrophobicContact CG1-CB 4.43Å; R374-F423 PolarHBondContact NH2-O 3.27Å; A418-F423 PolarHBondContact O-N 3.11Å; A418-F423 VanDerWaalsContact O-N 3.17Å; F423-S425 PolarHBondContact O-OG 3.25Å
424	G	97.7	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	62.3	48.6	-177.9	0	0	0	0	0	112.6	R379 A380 A418 M419 T422	R379-G424 CarbonylContact C-O 3.6Å; R379-G424 WeakPolarHBondContact CA-O 3.45Å; A380-G424 PolarHBondContact N-O 2.96Å; A418-G424 PolarHBondContact O-N 2.9Å; M419-G424 WeakPolarHBondContact SD-CA 3.45Å; T422-G424 PolarHBondContact O-N 3.14Å; T422-G424 VanDerWaalsContact O-N 3.15Å
425	S	98.6	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.4	-177.3	-41.5	0	0	0	0	113.7	M99 R374 T378 T422 F423	M99-S425 WeakPolarHBondContact SD-CB 3.26Å; R374-S425 PolarHBondContact NE-OG 3.29Å; R374-S425 PolarHBondContact NH2-OG 2.77Å; T378-S425 CarbonylContact O-C 3.49Å; T378-S425 WeakPolarHBondContact O-CA 3.49Å; T422-S425 WeakPolarHBondContact CB-O 3.3Å; T422-S425 WeakPolarHBondContact O-CB 3.37Å; T422-S425 PolarHBondContact O-N 3Å; T422-S425 PolarHBondContact O-OG 2.97Å; T422-S425 PolarHBondContact OG1-N 3.29Å; T422-S425 PolarHBondContact OG1-O 2.82Å; F423-S425 PolarHBondContact O-OG 3.25Å
426	T	98.5	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-176.7	175.4	-166.1	0	0	0	0	111	L85 S377 T378 A380 V399 C485 S491	L85-T426 VanDerWaalsContact CD1-C 3.45Å; L85-T426 WeakPolarHBondContact CD1-O 3.4Å; S377-T426 WeakPolarHBondContact CA-O 3.5Å; T378-T426 PolarHBondContact N-O 3.4Å; T378-T426 PolarHBondContact O-N 2.92Å; A380-T426 HydrophobicContact CB-CG2 3.77Å; V399-T426 HydrophobicContact CB-CG2 4.27Å; V399-T426 HydrophobicContact CG1-CG2 3.38Å; V399-T426 HydrophobicContact CG2-CG2 4.06Å; T426-C485 PolarHBondContact OG1-SG 3.5Å; T426-S491 PolarHBondContact OG1-OG 2.75Å
427	C	97.9	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.			trans	-59.7	168.8	178.3	64.1	0	0	0	0	113.1	D87 T378 I401 V481 C485	D87-C427 WeakPolarHBondContact OD2-CB 3.14Å; T378-C427 VanDerWaalsContact CB-O 3.31Å; T378-C427 WeakPolarHBondContact CB-O 3.24Å; T378-C427 PolarHBondContact OG1-O 3.15Å; I401-C427 WeakPolarHBondContact CD1-O 3.35Å; C427-V481 HydrophobicContact CB-CG1 3.69Å; C427-C485 PolarHBondContact SG-SG 2.93Å
428	H	96.1	Very high	91.9	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.083	17%	0.166	C	C	.	.			trans	-117.9	-23.1	176.3	78.2	-65.7	0	0	0	113.9	D87 H353 G376 T378 G402	D87-H428 IonicContact OD2-CE1 3.42Å; D87-H428 PolarHBondContact OD2-CE1 2.88Å; D87-H428 IonicContact OD2-CG 3.47Å; D87-H428 PolarHBondContact OD2-N 2.85Å; D87-H428 IonicContact OD2-ND1 3.66Å; D87-H428 PolarHBondContact OD2-ND1 3.2Å; H353-H428 HydrophobicContact CB-CB 3.49Å; H353-H428 VanDerWaalsContact CB-CB 3.49Å; H353-H428 AromaticContact CE1-CD2 3.77Å; H353-H428 AromaticContact CG-CD2 3.9Å; H353-H428 AromaticContact ND1-CD2 3.44Å; H353-H428 PolarHBondContact ND1-CD2 3.11Å; H353-H428 AromaticContact ND1-CG 3.97Å; G376-H428 VanDerWaalsContact C-CG 3.47Å; G376-H428 WeakPolarHBondContact CA-ND1 3.44Å; G376-H428 PolarHBondContact O-ND1 3.47Å; T378-H428 WeakPolarHBondContact OG1-CA 3.34Å; T378-H428 WeakPolarHBondContact OG1-CB 3.17Å; G402-H428 PolarHBondContact N-O 3.34Å
429	G	92.6	Very high	91.3	Very high	4 Å²	4	30.4 Å²	30.4	4%	0.041	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-176.2	-162.2	-174.7	0	0	0	0	0	111.9	D87 G402	D87-G429 VanDerWaalsContact CB-O 3.29Å; D87-G429 WeakPolarHBondContact CB-O 3.45Å; D87-G429 PolarHBondContact OD2-N 3.43Å; G402-G429 WeakPolarHBondContact O-CA 3.2Å
430	A	89.2	Confident	90.7	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	18%	0.179	C	C	.	.			trans	-66.1	-38	177.5	0	0	0	0	0	113.4	G402 Y475 K476 V478	G402-A430 PolarHBondContact O-N 3.43Å; A430-Y475 HydrophobicContact CB-CD1 4.08Å; A430-Y475 HydrophobicContact CB-CG 4.39Å; A430-K476 WeakPolarHBondContact CB-O 3.26Å; A430-K476 VanDerWaalsContact O-CB 3.31Å; A430-K476 WeakPolarHBondContact O-CB 3.46Å; A430-K476 WeakPolarHBondContact O-CD 3.46Å; A430-V478 HydrophobicContact CB-CB 4.07Å
431	G	86.8	Confident	90.4	Very high	4 Å²	4	40.2 Å²	40.2	4%	0.041	19%	0.191	C	C	.	.			trans	71.2	147.1	-168.2	0	0	0	0	0	112.6	Y475 K476	G431-Y475 WeakPolarHBondContact O-CA 3.48Å; G431-Y475 WeakPolarHBondContact O-CD1 3.31Å; G431-K476 PolarHBondContact O-N 2.89Å
432	R	89	Confident	90.1	Very high	31 Å²	31	42.3 Å²	42.3	12%	0.117	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-76.1	136.1	-175.8	-64.9	-168.7	69.1	93.3	1.3	111	H89 L434 S439 E469 E470 Y475	H89-R432 PolarHBondContact CE1-N 2.87Å; R432-L434 PolarHBondContact NE-O 2.83Å; R432-L434 PolarHBondContact NH2-O 3.35Å; R432-L434 VanDerWaalsContact NH2-O 3.13Å; R432-S439 PolarHBondContact NH2-OG 2.76Å; R432-E469 VanDerWaalsContact CZ-O 3.28Å; R432-E469 PolarHBondContact NH1-O 3.12Å; R432-E469 PolarHBondContact NH2-O 2.86Å; R432-E470 IonicContact NH1-OE1 3.48Å; R432-E470 IonicContact NH1-OE2 2.8Å; R432-Y475 HydrophobicContact CG-CD1 4.05Å; R432-Y475 HydrophobicContact CG-CE1 3.56Å; R432-Y475 PolarHBondContact NH1-OH 3.42Å; R432-Y475 VanDerWaalsContact NH1-OH 3.16Å
433	A	87.2	Confident	89.6	Confident	40 Å²	40	44 Å²	44	33%	0.331	21%	0.214	S	C	.	.	S	Bend	trans	-96.1	-26.5	168.1	0	0	0	0	0	111.6	S474 K476	A433-S474 PolarHBondContact N-O 3.47Å; A433-K476 HydrophobicContact CB-CG 4.11Å
434	L	83.1	Confident	89.2	Confident	41 Å²	41	47.1 Å²	47.1	22%	0.215	23%	0.23	C	C	.	.	S	Bend	trans	-125	142.1	179.7	-57.4	176.6	0	0	0	111.4	R432 K438 S474	R432-L434 PolarHBondContact NE-O 2.83Å; R432-L434 PolarHBondContact NH2-O 3.35Å; R432-L434 VanDerWaalsContact NH2-O 3.13Å; L434-K438 HydrophobicContact CD2-CD 3.85Å; L434-K438 HydrophobicContact CD2-CG 4.45Å; L434-S474 PolarHBondContact N-O 3.24Å
435	S	82.9	Confident	88.8	Confident	72 Å²	72	51.2 Å²	51.2	50%	0.503	25%	0.246	S	C	.	.			trans	-65.1	149	171.1	75.2	0	0	0	0	110.4	A437 K438 S439	S435-A437 PolarHBondContact O-N 2.76Å; S435-K438 WeakPolarHBondContact O-CA 3.21Å; S435-K438 WeakPolarHBondContact O-CB 3.49Å; S435-K438 PolarHBondContact O-N 2.8Å; S435-K438 WeakPolarHBondContact OG-CB 3.32Å; S435-K438 PolarHBondContact OG-N 3.19Å; S435-S439 PolarHBondContact O-N 2.93Å; S435-S439 PolarHBondContact O-OG 3.39Å
436	R	83.8	Confident	88.4	Confident	103 Å²	103	54.5 Å²	54.5	39%	0.389	27%	0.266	S	S	.	.	H	α-helix	trans	-54	-39.2	177.3	-71.1	178.3	167.8	137.2	2.2	112.5	K438 S439 R440 E469 E470	R436-K438 VanDerWaalsContact C-N 3.32Å; R436-K438 PolarHBondContact O-N 2.68Å; R436-S439 PolarHBondContact O-N 3.32Å; R436-R440 WeakPolarHBondContact O-CG 3.37Å; R436-R440 PolarHBondContact O-N 2.6Å; R436-E469 HydrophobicContact CB-CG 4.4Å; R436-E469 WeakPolarHBondContact CD-OE2 3.31Å; R436-E469 HydrophobicContact CG-CB 4.3Å; R436-E469 IonicContact NE-OE2 3.73Å; R436-E470 IonicContact CZ-OE1 3.52Å; R436-E470 IonicContact NE-OE1 3.59Å; R436-E470 PolarHBondContact NE-OE1 3.07Å; R436-E470 IonicContact NH2-OE1 2.68Å; R436-E470 PolarHBondContact NH2-OE1 3.3Å
437	A	83.3	Confident	88.1	Confident	38 Å²	38	59 Å²	59	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-35.3	176.5	0	0	0	0	0	112.7	S435 R441	S435-A437 PolarHBondContact O-N 2.76Å; A437-R441 WeakPolarHBondContact O-CG 3.5Å; A437-R441 PolarHBondContact O-N 2.73Å
438	K	84.4	Confident	87.8	Confident	104 Å²	104	59.2 Å²	59.2	45%	0.452	29%	0.292	S	S	.	.	H	α-helix	trans	-73.8	-42.5	176	-172	169.4	177.2	-173.3	0	111.3	L434 S435 R436 R440 R441 N442	L434-K438 HydrophobicContact CD2-CD 3.85Å; L434-K438 HydrophobicContact CD2-CG 4.45Å; S435-K438 WeakPolarHBondContact O-CA 3.21Å; S435-K438 WeakPolarHBondContact O-CB 3.49Å; S435-K438 PolarHBondContact O-N 2.8Å; S435-K438 WeakPolarHBondContact OG-CB 3.32Å; S435-K438 PolarHBondContact OG-N 3.19Å; R436-K438 VanDerWaalsContact C-N 3.32Å; R436-K438 PolarHBondContact O-N 2.68Å; K438-R440 VanDerWaalsContact C-N 3.28Å; K438-R440 PolarHBondContact O-N 3.45Å; K438-R441 PolarHBondContact O-N 3.11Å; K438-R441 VanDerWaalsContact O-N 3.11Å; K438-N442 PolarHBondContact O-N 3.12Å
439	S	86.3	Confident	87.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.6	-45.1	172.8	-54.5	0	0	0	0	111.3	R432 S435 R436 R441 N442 L443 M468 S474	R432-S439 PolarHBondContact NH2-OG 2.76Å; S435-S439 PolarHBondContact O-N 2.93Å; S435-S439 PolarHBondContact O-OG 3.39Å; R436-S439 PolarHBondContact O-N 3.32Å; S439-R441 PolarHBondContact O-N 3.42Å; S439-N442 PolarHBondContact O-N 3.23Å; S439-L443 WeakPolarHBondContact O-CB 3.49Å; S439-L443 PolarHBondContact O-N 2.78Å; S439-M468 WeakPolarHBondContact CB-O 3.48Å; S439-S474 VanDerWaalsContact CB-OG 3.26Å; S439-S474 WeakPolarHBondContact CB-OG 3.33Å; S439-S474 WeakPolarHBondContact OG-CB 3.44Å; S439-S474 PolarHBondContact OG-OG 3.29Å
440	R	83.7	Confident	87.5	Confident	113 Å²	113	62.8 Å²	62.8	43%	0.426	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-22.1	178.8	-76.3	-168.3	-59	-95.6	0.6	115.4	R436 K438 M468 E469	R436-R440 WeakPolarHBondContact O-CG 3.37Å; R436-R440 PolarHBondContact O-N 2.6Å; K438-R440 VanDerWaalsContact C-N 3.28Å; K438-R440 PolarHBondContact O-N 3.45Å; R440-M468 VanDerWaalsContact C-CE 3.48Å; R440-M468 HydrophobicContact CB-CE 3.81Å; R440-M468 HydrophobicContact CG-CE 4Å; R440-M468 HydrophobicContact CG-CG 4.05Å; R440-M468 HydrophobicContact CG-SD 4.29Å; R440-M468 WeakPolarHBondContact O-CE 3.46Å; R440-E469 WeakPolarHBondContact CD-OE1 3.4Å; R440-E469 HydrophobicContact CG-CG 3.76Å; R440-E469 IonicContact CZ-OE1 2.65Å; R440-E469 IonicContact NE-OE1 2.86Å; R440-E469 IonicContact NH1-OE1 2.76Å; R440-E469 PolarHBondContact NH1-OE1 2.83Å; R440-E469 IonicContact NH1-OE2 2.93Å
441	R	87.2	Confident	87.7	Confident	210 Å²	210	66.2 Å²	66.2	79%	0.792	33%	0.334	S	S	*	.	H	α-helix	trans	-89.8	-25.2	179.1	-70	175.6	-167	176.9	3	112.4	A437 K438 S439	A437-R441 WeakPolarHBondContact O-CG 3.5Å; A437-R441 PolarHBondContact O-N 2.73Å; K438-R441 PolarHBondContact O-N 3.11Å; K438-R441 VanDerWaalsContact O-N 3.11Å; S439-R441 PolarHBondContact O-N 3.42Å
442	N	87.8	Confident	88	Confident	103 Å²	103	66.1 Å²	66.1	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-108.7	-19.5	-166.9	-69.3	8.9	0	0	0	113.5	K438 S439	K438-N442 PolarHBondContact O-N 3.12Å; S439-N442 PolarHBondContact O-N 3.23Å
443	L	88.1	Confident	88.1	Confident	36 Å²	36	72 Å²	72	19%	0.188	36%	0.361	C	S	.	.			trans	-119.3	137.5	-173.7	-57.7	176.9	0	0	0	110.2	S439 M468 A471 E473	S439-L443 WeakPolarHBondContact O-CB 3.49Å; S439-L443 PolarHBondContact O-N 2.78Å; L443-M468 HydrophobicContact CB-CB 4.33Å; L443-M468 VanDerWaalsContact O-CE 3.23Å; L443-M468 WeakPolarHBondContact O-CE 3.31Å; L443-A471 HydrophobicContact CD1-CB 3.58Å; L443-E473 HydrophobicContact CD1-CB 4.38Å; L443-E473 HydrophobicContact CD2-CB 4.49Å
444	D	89.7	Confident	88.4	Confident	70 Å²	70	78.2 Å²	78.2	37%	0.374	38%	0.383	S	S	.	.			trans	-96.2	138.7	170.6	-168.1	-82.3	0	0	0	110.6	T446 D447 V448	D444-T446 VanDerWaalsContact C-N 3.31Å; D444-T446 PolarHBondContact O-N 3.08Å; D444-T446 WeakPolarHBondContact OD1-CB 3.14Å; D444-T446 PolarHBondContact OD1-N 3.03Å; D444-T446 PolarHBondContact OD1-OG1 3.49Å; D444-D447 HydrophobicContact CB-CB 4.45Å; D444-D447 PolarHBondContact O-N 3.3Å; D444-V448 WeakPolarHBondContact O-CG2 3.37Å; D444-V448 PolarHBondContact O-N 2.58Å
445	Y	88.9	Confident	89	Confident	86 Å²	86	81.5 Å²	81.5	34%	0.337	40%	0.396	S	S	.	.	H	α-helix	trans	-69.3	-29.2	-177.4	76.4	-82	0	0	0	112.7	L449 P464	Y445-L449 HydrophobicContact CD2-CD1 4.19Å; Y445-L449 VanDerWaalsContact O-CG 3.31Å; Y445-L449 WeakPolarHBondContact O-CG 3.44Å; Y445-L449 PolarHBondContact O-N 3.15Å; Y445-P464 WeakPolarHBondContact CB-O 3.21Å; Y445-P464 HydrophobicContact CD2-CB 4.12Å; Y445-P464 HydrophobicContact CE2-CB 4.31Å
446	T	90.8	Very high	89.5	Confident	69 Å²	69	79.6 Å²	79.6	42%	0.423	39%	0.387	S	S	.	.	H	α-helix	trans	-69.3	-42	178.5	61.8	0	0	0	0	111	D444 V448 L449 A450	D444-T446 VanDerWaalsContact C-N 3.31Å; D444-T446 PolarHBondContact O-N 3.08Å; D444-T446 WeakPolarHBondContact OD1-CB 3.14Å; D444-T446 PolarHBondContact OD1-N 3.03Å; D444-T446 PolarHBondContact OD1-OG1 3.49Å; T446-V448 VanDerWaalsContact C-N 3.34Å; T446-V448 PolarHBondContact O-N 2.94Å; T446-L449 PolarHBondContact O-N 2.78Å; T446-A450 WeakPolarHBondContact O-CB 3.2Å; T446-A450 PolarHBondContact O-N 3.43Å
447	D	92.3	Very high	90.1	Very high	96 Å²	96	75.2 Å²	75.2	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-61.8	-44.1	175.3	-67.5	-25.5	0	0	0	111	D444 L449 A450 Q451	D444-D447 HydrophobicContact CB-CB 4.45Å; D444-D447 PolarHBondContact O-N 3.3Å; D447-L449 PolarHBondContact O-N 2.96Å; D447-A450 PolarHBondContact O-N 2.87Å; D447-Q451 WeakPolarHBondContact O-CG 3.42Å; D447-Q451 PolarHBondContact O-N 3.24Å
448	V	90.2	Very high	90.7	Very high	3 Å²	3	73.4 Å²	73.4	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-44.7	178.5	175.8	0	0	0	0	111.2	M405 D444 T446 Q451 L452 V467 A471	M405-V448 HydrophobicContact CE-CG1 3.47Å; M405-V448 VanDerWaalsContact CE-CG1 3.47Å; D444-V448 WeakPolarHBondContact O-CG2 3.37Å; D444-V448 PolarHBondContact O-N 2.58Å; T446-V448 VanDerWaalsContact C-N 3.34Å; T446-V448 PolarHBondContact O-N 2.94Å; V448-Q451 PolarHBondContact O-N 3.06Å; V448-L452 HydrophobicContact CG1-CD1 4.32Å; V448-L452 VanDerWaalsContact O-CG 3.3Å; V448-L452 WeakPolarHBondContact O-CG 3.47Å; V448-L452 PolarHBondContact O-N 3.26Å; V448-L452 VanDerWaalsContact O-N 3.13Å; V448-V467 HydrophobicContact CB-CG1 3.98Å; V448-V467 HydrophobicContact CG1-CG1 3.71Å; V448-A471 HydrophobicContact CG1-CB 4.06Å; V448-A471 HydrophobicContact CG2-CB 3.76Å
449	L	91.2	Very high	91.2	Very high	44 Å²	44	69.8 Å²	69.8	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-65.6	-39.9	177.5	-69.3	174.1	0	0	0	112.1	Y445 T446 D447 L452 Q453 I459 V467	Y445-L449 HydrophobicContact CD2-CD1 4.19Å; Y445-L449 VanDerWaalsContact O-CG 3.31Å; Y445-L449 WeakPolarHBondContact O-CG 3.44Å; Y445-L449 PolarHBondContact O-N 3.15Å; T446-L449 PolarHBondContact O-N 2.78Å; D447-L449 PolarHBondContact O-N 2.96Å; L449-L452 PolarHBondContact O-N 3.15Å; L449-Q453 PolarHBondContact O-N 2.76Å; L449-I459 HydrophobicContact CD2-CD1 4.18Å; L449-I459 HydrophobicContact CD2-CG2 3.85Å; L449-V467 HydrophobicContact CD2-CG1 4.31Å; L449-V467 HydrophobicContact CD2-CG2 4.41Å; L449-V467 HydrophobicContact CG-CG1 4.29Å
450	A	92.1	Very high	91.6	Very high	54 Å²	54	72.4 Å²	72.4	45%	0.446	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-44.4	177	0	0	0	0	0	111.8	T446 D447 L452 Q453 E454	T446-A450 WeakPolarHBondContact O-CB 3.2Å; T446-A450 PolarHBondContact O-N 3.43Å; D447-A450 PolarHBondContact O-N 2.87Å; A450-L452 VanDerWaalsContact C-N 3.33Å; A450-L452 PolarHBondContact O-N 3.44Å; A450-Q453 WeakPolarHBondContact O-CB 3.38Å; A450-Q453 PolarHBondContact O-N 2.65Å; A450-E454 PolarHBondContact O-N 3.1Å
451	Q	92.7	Very high	91.9	Very high	73 Å²	73	68.4 Å²	68.4	34%	0.341	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-37.6	176.3	-71.3	179.9	29.1	0	0	112.7	D447 V448 E454 K455 E473	D447-Q451 WeakPolarHBondContact O-CG 3.42Å; D447-Q451 PolarHBondContact O-N 3.24Å; V448-Q451 PolarHBondContact O-N 3.06Å; Q451-E454 PolarHBondContact O-N 2.96Å; Q451-K455 WeakPolarHBondContact O-CG 3.26Å; Q451-K455 PolarHBondContact O-N 3.15Å; Q451-K455 VanDerWaalsContact O-N 3.1Å; Q451-E473 PolarHBondContact OE1-OE1 3.24Å
452	L	92.8	Very high	91.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-39.7	175.6	-68.2	173.8	0	0	0	111.5	M405 V448 L449 A450 K455 G456 I457 I459	M405-L452 HydrophobicContact CE-CD1 4.17Å; M405-L452 HydrophobicContact CG-CD1 4Å; M405-L452 HydrophobicContact CG-CD2 4.35Å; M405-L452 WeakPolarHBondContact O-CD2 3.48Å; M405-L452 HydrophobicContact SD-CD1 3.78Å; V448-L452 HydrophobicContact CG1-CD1 4.32Å; V448-L452 VanDerWaalsContact O-CG 3.3Å; V448-L452 WeakPolarHBondContact O-CG 3.47Å; V448-L452 PolarHBondContact O-N 3.26Å; V448-L452 VanDerWaalsContact O-N 3.13Å; L449-L452 PolarHBondContact O-N 3.15Å; A450-L452 VanDerWaalsContact C-N 3.33Å; A450-L452 PolarHBondContact O-N 3.44Å; L452-K455 PolarHBondContact O-N 2.75Å; L452-G456 PolarHBondContact O-N 3.05Å; L452-I457 HydrophobicContact CB-CB 4.49Å; L452-I457 HydrophobicContact CD2-CD1 3.96Å; L452-I457 WeakPolarHBondContact O-CB 3.4Å; L452-I457 PolarHBondContact O-N 3.24Å; L452-I459 HydrophobicContact CD1-CD1 3.53Å
453	Q	92.3	Very high	91.8	Very high	155 Å²	155	58 Å²	58	72%	0.724	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-40.1	175.4	-174.3	175.2	-4.6	0	0	111.8	L449 A450 K455 G456	L449-Q453 PolarHBondContact O-N 2.76Å; A450-Q453 WeakPolarHBondContact O-CB 3.38Å; A450-Q453 PolarHBondContact O-N 2.65Å; Q453-K455 VanDerWaalsContact C-N 3.28Å; Q453-K455 PolarHBondContact O-N 3.43Å; Q453-G456 WeakPolarHBondContact O-CA 3.29Å; Q453-G456 PolarHBondContact O-N 2.92Å
454	E	94	Very high	91.4	Very high	170 Å²	170	59 Å²	59	79%	0.794	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-37.4	174.4	-172	-179.2	-175.3	0	0	111.9	A450 Q451 G456	A450-E454 PolarHBondContact O-N 3.1Å; Q451-E454 PolarHBondContact O-N 2.96Å; E454-G456 PolarHBondContact O-N 3.45Å
455	K	93.9	Very high	90.7	Very high	110 Å²	110	63.1 Å²	63.1	48%	0.478	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.9	171.5	-70.6	174.6	175.9	177.8	0	113.9	G406 Q451 L452 Q453 I457	G406-K455 PolarHBondContact O-NZ 2.94Å; Q451-K455 WeakPolarHBondContact O-CG 3.26Å; Q451-K455 PolarHBondContact O-N 3.15Å; Q451-K455 VanDerWaalsContact O-N 3.1Å; L452-K455 PolarHBondContact O-N 2.75Å; Q453-K455 VanDerWaalsContact C-N 3.28Å; Q453-K455 PolarHBondContact O-N 3.43Å; K455-I457 VanDerWaalsContact C-N 3.33Å; K455-I457 HydrophobicContact CB-CD1 3.95Å; K455-I457 HydrophobicContact CB-CG1 4.04Å; K455-I457 HydrophobicContact CD-CD1 4.37Å
456	G	94.7	Very high	90.2	Very high	32 Å²	32	62.4 Å²	62.4	33%	0.33	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	23.7	-179.5	0	0	0	0	0	113.9	K140 L452 Q453 E454	K140-G456 PolarHBondContact NZ-O 3.5Å; L452-G456 PolarHBondContact O-N 3.05Å; Q453-G456 WeakPolarHBondContact O-CA 3.29Å; Q453-G456 PolarHBondContact O-N 2.92Å; E454-G456 PolarHBondContact O-N 3.45Å
457	I	96.4	Very high	89.9	Confident	11 Å²	11	59.2 Å²	59.2	6%	0.056	32%	0.316	C	S	.	.			trans	-91.3	121.6	-178.3	-58.8	172.8	0	0	0	109.7	L452 K455 I459 P499 V502	L452-I457 HydrophobicContact CB-CB 4.49Å; L452-I457 HydrophobicContact CD2-CD1 3.96Å; L452-I457 WeakPolarHBondContact O-CB 3.4Å; L452-I457 PolarHBondContact O-N 3.24Å; K455-I457 VanDerWaalsContact C-N 3.33Å; K455-I457 HydrophobicContact CB-CD1 3.95Å; K455-I457 HydrophobicContact CB-CG1 4.04Å; K455-I457 HydrophobicContact CD-CD1 4.37Å; I457-I459 PolarHBondContact O-N 3.19Å; I457-P499 HydrophobicContact CD1-CG 3.97Å; I457-V502 HydrophobicContact CG2-CG2 3.58Å
458	S	96.5	Very high	89.6	Confident	1 Å²	1	56 Å²	56	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.3	172.3	179.9	0	0	0	0	109.4	E141 T144 R460 I500 G501 V502	E141-S458 WeakPolarHBondContact OE1-CB 3.33Å; E141-S458 PolarHBondContact OE1-OG 3.47Å; E141-S458 PolarHBondContact OE2-OG 3.16Å; T144-S458 VanDerWaalsContact CB-OG 3.31Å; T144-S458 WeakPolarHBondContact CB-OG 3.34Å; T144-S458 WeakPolarHBondContact CG2-O 3.44Å; T144-S458 WeakPolarHBondContact OG1-CB 3.3Å; T144-S458 PolarHBondContact OG1-OG 3.06Å; T144-S458 VanDerWaalsContact OG1-OG 3.04Å; S458-R460 PolarHBondContact OG-NH1 3Å; S458-I500 PolarHBondContact N-O 2.84Å; S458-G501 CarbonylContact O-C 3.47Å; S458-G501 WeakPolarHBondContact O-CA 3.39Å; S458-V502 PolarHBondContact O-N 3.13Å
459	I	94.4	Very high	89.3	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.138	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.9	-177.4	-173.9	160.9	0	0	0	112.1	M405 L449 L452 I457 V461 V467 V502	M405-I459 HydrophobicContact SD-CD1 3.82Å; L449-I459 HydrophobicContact CD2-CD1 4.18Å; L449-I459 HydrophobicContact CD2-CG2 3.85Å; L452-I459 HydrophobicContact CD1-CD1 3.53Å; I457-I459 PolarHBondContact O-N 3.19Å; I459-V461 HydrophobicContact CD1-CG1 3.8Å; I459-V461 HydrophobicContact CG1-CG1 3.76Å; I459-V467 HydrophobicContact CD1-CG2 4.24Å; I459-V502 CarbonylContact C-O 3.5Å; I459-V502 WeakPolarHBondContact CA-O 3.38Å; I459-V502 HydrophobicContact CG1-CB 4.49Å
460	R	94.1	Very high	89.1	Confident	55 Å²	55	55.6 Å²	55.6	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.5	167.9	-59	-64.8	180	-82.5	-6.4	109.7	E141 T144 Q145 F148 S458 V502 I503 K504	E141-R460 PolarHBondContact O-NH2 3.33Å; E141-R460 IonicContact OE2-CZ 2.74Å; E141-R460 IonicContact OE2-NH1 4Å; E141-R460 PolarHBondContact OE2-NH1 2.87Å; E141-R460 VanDerWaalsContact OE2-NH1 3.11Å; E141-R460 IonicContact OE2-NH2 2.9Å; E141-R460 PolarHBondContact OE2-NH2 3.05Å; T144-R460 HydrophobicContact CG2-CB 4.46Å; T144-R460 HydrophobicContact CG2-CG 3.78Å; Q145-R460 VanDerWaalsContact OE1-CD 3.25Å; F148-R460 HydrophobicContact CB-CB 3.9Å; F148-R460 HydrophobicContact CB-CG 4.17Å; F148-R460 HydrophobicContact CD1-CB 4.48Å; F148-R460 HydrophobicContact CD2-CB 3.38Å; F148-R460 HydrophobicContact CD2-CG 4.48Å; F148-R460 HydrophobicContact CE2-CB 3.92Å; F148-R460 HydrophobicContact CG-CB 3.69Å; F148-R460 HydrophobicContact CG-CG 4.35Å; S458-R460 PolarHBondContact OG-NH1 3Å; R460-V502 PolarHBondContact N-O 3.43Å; R460-I503 HydrophobicContact CB-CG2 4.27Å; R460-I503 WeakPolarHBondContact O-CA 3.41Å; R460-K504 PolarHBondContact O-N 3.22Å
461	V	91	Very high	88.8	Confident	29 Å²	29	53 Å²	53	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.8	-173.9	-72.5	0	0	0	0	110	I459 S463 P464 V467 K504	I459-V461 HydrophobicContact CD1-CG1 3.8Å; I459-V461 HydrophobicContact CG1-CG1 3.76Å; V461-S463 VanDerWaalsContact C-N 3.31Å; V461-P464 HydrophobicContact CG2-CB 4.38Å; V461-P464 HydrophobicContact CG2-CG 4.09Å; V461-V467 HydrophobicContact CB-CG2 4.5Å; V461-V467 HydrophobicContact CG1-CG2 3.61Å; V461-K504 WeakPolarHBondContact CA-O 3.39Å; V461-K504 HydrophobicContact CG1-CB 4.13Å
462	A	86.6	Confident	88.6	Confident	42 Å²	42	50.5 Å²	50.5	35%	0.347	26%	0.263	S	S	.	.	S	Bend	trans	-68.5	-32.8	175.3	0	0	0	0	0	112.4	V153 K504	V153-A462 HydrophobicContact CG2-CB 3.93Å; A462-K504 PolarHBondContact N-O 3.12Å; A462-K504 VanDerWaalsContact N-O 3.08Å
463	S	84.7	Confident	88.4	Confident	52 Å²	52	54 Å²	54	36%	0.364	28%	0.279	S	S	.	.			trans	-137.6	97	-178.7	-75.7	0	0	0	0	110.7	V461 K465 L466	V461-S463 VanDerWaalsContact C-N 3.31Å; S463-K465 PolarHBondContact O-N 2.97Å; S463-K465 VanDerWaalsContact O-N 3.09Å; S463-L466 PolarHBondContact O-N 2.86Å
464	P	79.7	Confident	88.3	Confident	59 Å²	59	46.6 Å²	46.6	38%	0.383	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-53.4	-34.3	-178.9	-27.9	34	0	0	0	113.9	Y445 V461 L466 V467	Y445-P464 WeakPolarHBondContact CB-O 3.21Å; Y445-P464 HydrophobicContact CD2-CB 4.12Å; Y445-P464 HydrophobicContact CE2-CB 4.31Å; V461-P464 HydrophobicContact CG2-CB 4.38Å; V461-P464 HydrophobicContact CG2-CG 4.09Å; P464-L466 PolarHBondContact O-N 3.13Å; P464-V467 WeakPolarHBondContact O-CB 3.47Å; P464-V467 PolarHBondContact O-N 3Å
465	K	76.2	Confident	88.2	Confident	156 Å²	156	40 Å²	40	68%	0.678	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-66.8	-20	178.7	-65.5	-175.1	178.9	-179.2	0	114.1	S463 M468	S463-K465 PolarHBondContact O-N 2.97Å; S463-K465 VanDerWaalsContact O-N 3.09Å; K465-M468 WeakPolarHBondContact O-CG 3.22Å
466	L	78.7	Confident	88.2	Confident	70 Å²	70	35.4 Å²	35.4	37%	0.366	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-89.7	-9.4	179.2	-63.6	179.8	0	0	0	112.4	S463 P464 M468 E469	S463-L466 PolarHBondContact O-N 2.86Å; P464-L466 PolarHBondContact O-N 3.13Å; L466-M468 PolarHBondContact O-N 3.46Å; L466-E469 WeakPolarHBondContact O-CB 3.15Å; L466-E469 PolarHBondContact O-N 3.45Å; L466-E469 VanDerWaalsContact O-N 3.1Å
467	V	84.4	Confident	88.2	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.018	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-61.2	-33.6	-178.9	116.8	0	0	0	0	112	M405 V448 L449 I459 V461 P464 E469 E470 A471	M405-V467 HydrophobicContact CE-CB 4.38Å; M405-V467 HydrophobicContact CE-CG1 4.17Å; M405-V467 HydrophobicContact CE-CG2 3.93Å; M405-V467 VanDerWaalsContact CE-O 3.32Å; M405-V467 WeakPolarHBondContact CE-O 3.46Å; M405-V467 HydrophobicContact SD-CG2 3.77Å; V448-V467 HydrophobicContact CB-CG1 3.98Å; V448-V467 HydrophobicContact CG1-CG1 3.71Å; L449-V467 HydrophobicContact CD2-CG1 4.31Å; L449-V467 HydrophobicContact CD2-CG2 4.41Å; L449-V467 HydrophobicContact CG-CG1 4.29Å; I459-V467 HydrophobicContact CD1-CG2 4.24Å; V461-V467 HydrophobicContact CB-CG2 4.5Å; V461-V467 HydrophobicContact CG1-CG2 3.61Å; P464-V467 WeakPolarHBondContact O-CB 3.47Å; P464-V467 PolarHBondContact O-N 3Å; V467-E469 PolarHBondContact O-N 3.43Å; V467-E470 CarbonylContact O-C 3.51Å; V467-E470 PolarHBondContact O-N 3.4Å; V467-A471 PolarHBondContact O-N 3.21Å; V467-A471 VanDerWaalsContact O-N 3.14Å
468	M	84.8	Confident	88.2	Confident	29 Å²	29	37.4 Å²	37.4	14%	0.143	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.6	177.8	66.8	-152.8	-83	0	0	113.4	S439 R440 L443 K465 L466 E470	S439-M468 WeakPolarHBondContact CB-O 3.48Å; R440-M468 VanDerWaalsContact C-CE 3.48Å; R440-M468 HydrophobicContact CB-CE 3.81Å; R440-M468 HydrophobicContact CG-CE 4Å; R440-M468 HydrophobicContact CG-CG 4.05Å; R440-M468 HydrophobicContact CG-SD 4.29Å; R440-M468 WeakPolarHBondContact O-CE 3.46Å; L443-M468 HydrophobicContact CB-CB 4.33Å; L443-M468 VanDerWaalsContact O-CE 3.23Å; L443-M468 WeakPolarHBondContact O-CE 3.31Å; K465-M468 WeakPolarHBondContact O-CG 3.22Å; L466-M468 PolarHBondContact O-N 3.46Å; M468-E470 PolarHBondContact O-N 3.11Å
469	E	85.1	Confident	88.2	Confident	28 Å²	28	39 Å²	39	13%	0.131	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-69.5	-24.1	177	-64.7	-173.3	-169.4	0	0	112.4	R432 R436 R440 L466 V467	R432-E469 VanDerWaalsContact CZ-O 3.28Å; R432-E469 PolarHBondContact NH1-O 3.12Å; R432-E469 PolarHBondContact NH2-O 2.86Å; R436-E469 HydrophobicContact CB-CG 4.4Å; R436-E469 WeakPolarHBondContact CD-OE2 3.31Å; R436-E469 HydrophobicContact CG-CB 4.3Å; R436-E469 IonicContact NE-OE2 3.73Å; R440-E469 WeakPolarHBondContact CD-OE1 3.4Å; R440-E469 HydrophobicContact CG-CG 3.76Å; R440-E469 IonicContact CZ-OE1 2.65Å; R440-E469 IonicContact NE-OE1 2.86Å; R440-E469 IonicContact NH1-OE1 2.76Å; R440-E469 PolarHBondContact NH1-OE1 2.83Å; R440-E469 IonicContact NH1-OE2 2.93Å; L466-E469 WeakPolarHBondContact O-CB 3.15Å; L466-E469 PolarHBondContact O-N 3.45Å; L466-E469 VanDerWaalsContact O-N 3.1Å; V467-E469 PolarHBondContact O-N 3.43Å
470	E	85.9	Confident	88.3	Confident	10 Å²	10	39 Å²	39	5%	0.047	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-116.8	10.6	-170.2	-56.1	-62.9	158.4	0	0	111.8	G225 R432 R436 V467 M468 Y475	G225-E470 WeakPolarHBondContact O-CG 3.38Å; R432-E470 IonicContact NH1-OE1 3.48Å; R432-E470 IonicContact NH1-OE2 2.8Å; R436-E470 IonicContact CZ-OE1 3.52Å; R436-E470 IonicContact NE-OE1 3.59Å; R436-E470 PolarHBondContact NE-OE1 3.07Å; R436-E470 IonicContact NH2-OE1 2.68Å; R436-E470 PolarHBondContact NH2-OE1 3.3Å; V467-E470 CarbonylContact O-C 3.51Å; V467-E470 PolarHBondContact O-N 3.4Å; M468-E470 PolarHBondContact O-N 3.11Å; E470-Y475 PolarHBondContact OE2-OH 2.67Å
471	A	87	Confident	88.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.			trans	-58.4	144.7	177.2	0	0	0	0	0	111.8	M405 L443 V448 V467 E473 S474	M405-A471 HydrophobicContact CE-CB 4.41Å; L443-A471 HydrophobicContact CD1-CB 3.58Å; V448-A471 HydrophobicContact CG1-CB 4.06Å; V448-A471 HydrophobicContact CG2-CB 3.76Å; V467-A471 PolarHBondContact O-N 3.21Å; V467-A471 VanDerWaalsContact O-N 3.14Å; A471-E473 PolarHBondContact O-N 3.08Å; A471-E473 VanDerWaalsContact O-N 3.1Å; A471-S474 VanDerWaalsContact O-CB 3.23Å; A471-S474 WeakPolarHBondContact O-CB 3.36Å; A471-S474 PolarHBondContact O-N 3.48Å; A471-S474 PolarHBondContact O-OG 3.46Å
472	P	88	Confident	88.8	Confident	19 Å²	19	35 Å²	35	12%	0.123	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-45.7	-41.4	178.4	-32	37.3	0	0	0	114.8	T407 S474 Y475	T407-P472 HydrophobicContact CG2-CB 3.91Å; T407-P472 HydrophobicContact CG2-CG 4.44Å; P472-S474 PolarHBondContact O-N 2.9Å; P472-Y475 PolarHBondContact O-N 2.99Å; P472-Y475 VanDerWaalsContact O-N 3.08Å
473	E	88.8	Confident	89.4	Confident	76 Å²	76	35.9 Å²	35.9	36%	0.355	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-68.8	-15.2	-177.6	-56	92.6	146.5	0	0	113.2	L443 Q451 A471 Y475	L443-E473 HydrophobicContact CD1-CB 4.38Å; L443-E473 HydrophobicContact CD2-CB 4.49Å; Q451-E473 PolarHBondContact OE1-OE1 3.24Å; A471-E473 PolarHBondContact O-N 3.08Å; A471-E473 VanDerWaalsContact O-N 3.1Å; E473-Y475 VanDerWaalsContact C-N 3.26Å
474	S	89.7	Confident	90	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-79.4	-12.5	174.6	-60.4	0	0	0	0	113.1	A433 L434 S439 A471 P472	A433-S474 PolarHBondContact N-O 3.47Å; L434-S474 PolarHBondContact N-O 3.24Å; S439-S474 VanDerWaalsContact CB-OG 3.26Å; S439-S474 WeakPolarHBondContact CB-OG 3.33Å; S439-S474 WeakPolarHBondContact OG-CB 3.44Å; S439-S474 PolarHBondContact OG-OG 3.29Å; A471-S474 VanDerWaalsContact O-CB 3.23Å; A471-S474 WeakPolarHBondContact O-CB 3.36Å; A471-S474 PolarHBondContact O-N 3.48Å; A471-S474 PolarHBondContact O-OG 3.46Å; P472-S474 PolarHBondContact O-N 2.9Å
475	Y	91.3	Very high	90.9	Very high	30 Å²	30	30.6 Å²	30.6	12%	0.118	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-112.3	159.5	-175.7	-72.8	-90.5	0	0	0	111.3	T404 A430 G431 R432 E470 P472 E473	T404-Y475 HydrophobicContact CG2-CD1 4.27Å; T404-Y475 HydrophobicContact CG2-CD2 3.36Å; T404-Y475 HydrophobicContact CG2-CE2 4.1Å; T404-Y475 HydrophobicContact CG2-CG 3.47Å; T404-Y475 VanDerWaalsContact CG2-CG 3.47Å; A430-Y475 HydrophobicContact CB-CD1 4.08Å; A430-Y475 HydrophobicContact CB-CG 4.39Å; G431-Y475 WeakPolarHBondContact O-CA 3.48Å; G431-Y475 WeakPolarHBondContact O-CD1 3.31Å; R432-Y475 HydrophobicContact CG-CD1 4.05Å; R432-Y475 HydrophobicContact CG-CE1 3.56Å; R432-Y475 PolarHBondContact NH1-OH 3.42Å; R432-Y475 VanDerWaalsContact NH1-OH 3.16Å; E470-Y475 PolarHBondContact OE2-OH 2.67Å; P472-Y475 PolarHBondContact O-N 2.99Å; P472-Y475 VanDerWaalsContact O-N 3.08Å; E473-Y475 VanDerWaalsContact C-N 3.26Å
476	K	93.4	Very high	91.9	Very high	15 Å²	15	27.1 Å²	27.1	7%	0.065	14%	0.138	C	C	.	.			trans	-67.6	163.4	167.3	-53.9	165.3	166.1	-179.1	0	108.9	L42 L45 P86 D87 V88 A430 G431 A433 V478 V481	L42-K476 HydrophobicContact CD2-CB 4.09Å; L42-K476 HydrophobicContact CD2-CD 3.97Å; L42-K476 HydrophobicContact CD2-CG 4.27Å; L45-K476 HydrophobicContact CD1-CD 4.35Å; L45-K476 HydrophobicContact CD1-CG 3.83Å; P86-K476 PolarHBondContact O-NZ 3.28Å; D87-K476 PolarHBondContact O-NZ 3.03Å; V88-K476 PolarHBondContact O-NZ 2.84Å; A430-K476 WeakPolarHBondContact CB-O 3.26Å; A430-K476 VanDerWaalsContact O-CB 3.31Å; A430-K476 WeakPolarHBondContact O-CB 3.46Å; A430-K476 WeakPolarHBondContact O-CD 3.46Å; G431-K476 PolarHBondContact O-N 2.89Å; A433-K476 HydrophobicContact CB-CG 4.11Å; K476-V478 PolarHBondContact O-N 3.22Å; K476-V481 HydrophobicContact CB-CG2 4.47Å
477	N	94.7	Very high	92.8	Very high	83 Å²	83	27.2 Å²	27.2	44%	0.444	15%	0.148	S	C	.	.			trans	-70.7	116.3	170.5	179.7	-3.3	0	0	0	109.6	T479 D480 V481	N477-T479 PolarHBondContact O-N 2.92Å; N477-T479 WeakPolarHBondContact OD1-CB 3.31Å; N477-T479 PolarHBondContact OD1-N 3.14Å; N477-D480 HydrophobicContact CB-CB 4.2Å; N477-D480 WeakPolarHBondContact CB-OD2 3.27Å; N477-D480 VanDerWaalsContact CG-OD2 3.27Å; N477-D480 PolarHBondContact ND2-OD2 3.24Å; N477-D480 WeakPolarHBondContact O-CB 3.35Å; N477-D480 PolarHBondContact O-N 2.82Å; N477-D480 VanDerWaalsContact O-N 3.15Å; N477-V481 PolarHBondContact O-N 3.22Å
478	V	96.2	Very high	93.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-31.1	178.9	64.8	0	0	0	0	112.9	I401 C408 Y410 A430 K476 V481 V482	I401-V478 HydrophobicContact CG2-CG2 3.86Å; C408-V478 WeakPolarHBondContact O-CG1 3.31Å; Y410-V478 HydrophobicContact CD2-CG2 4.26Å; Y410-V478 HydrophobicContact CE2-CG1 4.27Å; A430-V478 HydrophobicContact CB-CB 4.07Å; K476-V478 PolarHBondContact O-N 3.22Å; V478-V481 PolarHBondContact O-N 3.2Å; V478-V482 HydrophobicContact CG2-CG2 4.45Å; V478-V482 WeakPolarHBondContact O-CG2 3.19Å; V478-V482 PolarHBondContact O-N 3.01Å
479	T	97.2	Very high	94.1	Very high	34 Å²	34	26.8 Å²	26.8	21%	0.209	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-42.4	176.9	-57.5	0	0	0	0	110.5	Y410 N477 V481 V482 D483	Y410-T479 WeakPolarHBondContact OH-CG2 3.29Å; Y410-T479 PolarHBondContact OH-OG1 3.48Å; N477-T479 PolarHBondContact O-N 2.92Å; N477-T479 WeakPolarHBondContact OD1-CB 3.31Å; N477-T479 PolarHBondContact OD1-N 3.14Å; T479-V481 VanDerWaalsContact C-N 3.3Å; T479-V481 PolarHBondContact O-N 3.39Å; T479-V482 PolarHBondContact O-N 3.23Å; T479-D483 VanDerWaalsContact O-CB 3.27Å; T479-D483 WeakPolarHBondContact O-CB 3.25Å; T479-D483 PolarHBondContact O-N 2.86Å
480	D	97.1	Very high	94.7	Very high	28 Å²	28	25.4 Å²	25.4	15%	0.15	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-38.2	175.9	-74.5	-57	0	0	0	112.1	N39 F41 L42 N477 T484	N39-D480 PolarHBondContact ND2-OD1 3.04Å; F41-D480 WeakPolarHBondContact CD2-OD1 3.13Å; L42-D480 HydrophobicContact CD1-CB 4.42Å; L42-D480 HydrophobicContact CD2-CB 4.45Å; L42-D480 HydrophobicContact CG-CB 4.31Å; N477-D480 HydrophobicContact CB-CB 4.2Å; N477-D480 WeakPolarHBondContact CB-OD2 3.27Å; N477-D480 VanDerWaalsContact CG-OD2 3.27Å; N477-D480 PolarHBondContact ND2-OD2 3.24Å; N477-D480 WeakPolarHBondContact O-CB 3.35Å; N477-D480 PolarHBondContact O-N 2.82Å; N477-D480 VanDerWaalsContact O-N 3.15Å; D480-T484 WeakPolarHBondContact O-CB 3.25Å; D480-T484 PolarHBondContact O-N 2.79Å; D480-T484 PolarHBondContact O-OG1 2.86Å
481	V	97.7	Very high	95.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-51.9	175.5	173.2	0	0	0	0	110.5	L42 P86 D87 C427 K476 N477 V478 T479 T484 C485	L42-V481 HydrophobicContact CD1-CG2 4.1Å; L42-V481 HydrophobicContact CD2-CG2 4.44Å; P86-V481 HydrophobicContact CB-CB 4.39Å; P86-V481 HydrophobicContact CB-CG1 3.99Å; D87-V481 HydrophobicContact CB-CG1 4Å; D87-V481 HydrophobicContact CB-CG2 4.36Å; C427-V481 HydrophobicContact CB-CG1 3.69Å; K476-V481 HydrophobicContact CB-CG2 4.47Å; N477-V481 PolarHBondContact O-N 3.22Å; V478-V481 PolarHBondContact O-N 3.2Å; T479-V481 VanDerWaalsContact C-N 3.3Å; T479-V481 PolarHBondContact O-N 3.39Å; V481-T484 WeakPolarHBondContact O-CB 3.46Å; V481-T484 PolarHBondContact O-N 3.19Å; V481-C485 PolarHBondContact O-N 3.48Å; V481-C485 VanDerWaalsContact O-N 3.08Å; V481-C485 PolarHBondContact O-SG 3.35Å
482	V	98.1	Very high	95.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-178.3	173.4	0	0	0	0	111.5	I401 Y410 L412 V478 T479 T484 C485 Q486 K493	I401-V482 HydrophobicContact CB-CG2 4.49Å; I401-V482 HydrophobicContact CG2-CG2 3.96Å; Y410-V482 HydrophobicContact CD1-CG1 4.22Å; Y410-V482 HydrophobicContact CD2-CB 4.37Å; Y410-V482 HydrophobicContact CD2-CG2 3.75Å; Y410-V482 HydrophobicContact CE2-CG2 4.31Å; Y410-V482 HydrophobicContact CG-CB 4.5Å; Y410-V482 HydrophobicContact CG-CG1 4.23Å; Y410-V482 HydrophobicContact CG-CG2 3.98Å; L412-V482 HydrophobicContact CD1-CG1 4.23Å; L412-V482 HydrophobicContact CD1-CG2 4.48Å; L412-V482 HydrophobicContact CD2-CG1 3.52Å; V478-V482 HydrophobicContact CG2-CG2 4.45Å; V478-V482 WeakPolarHBondContact O-CG2 3.19Å; V478-V482 PolarHBondContact O-N 3.01Å; T479-V482 PolarHBondContact O-N 3.23Å; V482-T484 VanDerWaalsContact C-N 3.27Å; V482-T484 PolarHBondContact O-N 3.42Å; V482-C485 WeakPolarHBondContact O-CB 3.4Å; V482-C485 PolarHBondContact O-N 3.25Å; V482-C485 VanDerWaalsContact O-N 3.15Å; V482-Q486 PolarHBondContact O-N 3.34Å; V482-K493 HydrophobicContact CG1-CD 4.13Å; V482-K493 HydrophobicContact CG1-CG 3.63Å
483	D	98	Very high	96.3	Very high	59 Å²	59	28.6 Å²	28.6	32%	0.316	16%	0.16	S	C	.	.	H	α-helix	trans	-59.7	-40.3	175.8	-74.7	-10.4	0	0	0	111.4	T479 Q486 A487 K493	T479-D483 VanDerWaalsContact O-CB 3.27Å; T479-D483 WeakPolarHBondContact O-CB 3.25Å; T479-D483 PolarHBondContact O-N 2.86Å; D483-Q486 PolarHBondContact O-N 2.99Å; D483-A487 VanDerWaalsContact O-CB 3.27Å; D483-A487 WeakPolarHBondContact O-CB 3.37Å; D483-A487 PolarHBondContact O-N 3.12Å; D483-K493 WeakPolarHBondContact OD1-CE 3.25Å; D483-K493 IonicContact OD1-NZ 2.57Å; D483-K493 PolarHBondContact OD1-NZ 2.56Å
484	T	98	Very high	96.8	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-43.7	175.7	-55.5	0	0	0	0	111.1	T18 N39 P86 D480 V481 V482 A487 A488	T18-T484 HydrophobicContact CG2-CG2 4.21Å; N39-T484 WeakPolarHBondContact CB-OG1 3.2Å; N39-T484 PolarHBondContact N-OG1 3.43Å; P86-T484 HydrophobicContact CB-CG2 3.86Å; P86-T484 HydrophobicContact CG-CG2 3.49Å; P86-T484 VanDerWaalsContact CG-CG2 3.49Å; D480-T484 WeakPolarHBondContact O-CB 3.25Å; D480-T484 PolarHBondContact O-N 2.79Å; D480-T484 PolarHBondContact O-OG1 2.86Å; V481-T484 WeakPolarHBondContact O-CB 3.46Å; V481-T484 PolarHBondContact O-N 3.19Å; V482-T484 VanDerWaalsContact C-N 3.27Å; V482-T484 PolarHBondContact O-N 3.42Å; T484-A487 PolarHBondContact O-N 3.19Å; T484-A488 VanDerWaalsContact O-CB 3.28Å; T484-A488 WeakPolarHBondContact O-CB 3.46Å; T484-A488 PolarHBondContact O-N 2.88Å
485	C	98.2	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.7	-68.9	0	0	0	0	112.4	T426 C427 V481 V482 A488 G489 I490 S491	T426-C485 PolarHBondContact OG1-SG 3.5Å; C427-C485 PolarHBondContact SG-SG 2.93Å; V481-C485 PolarHBondContact O-N 3.48Å; V481-C485 VanDerWaalsContact O-N 3.08Å; V481-C485 PolarHBondContact O-SG 3.35Å; V482-C485 WeakPolarHBondContact O-CB 3.4Å; V482-C485 PolarHBondContact O-N 3.25Å; V482-C485 VanDerWaalsContact O-N 3.15Å; C485-A488 PolarHBondContact O-N 3.37Å; C485-G489 PolarHBondContact O-N 3.17Å; C485-I490 HydrophobicContact CB-CD1 4.32Å; C485-I490 HydrophobicContact CB-CG1 4Å; C485-I490 WeakPolarHBondContact O-CG1 3.38Å; C485-I490 PolarHBondContact O-N 3.34Å; C485-I490 VanDerWaalsContact O-N 3.09Å; C485-S491 WeakPolarHBondContact CB-OG 3.49Å
486	Q	97.9	Very high	97.6	Very high	83 Å²	83	25.5 Å²	25.5	39%	0.388	15%	0.146	S	C	.	.	H	α-helix	trans	-66.1	-45.1	176.7	-178.9	163.8	-70.6	0	0	111.9	V482 D483 A488 G489 S491 K493	V482-Q486 PolarHBondContact O-N 3.34Å; D483-Q486 PolarHBondContact O-N 2.99Å; Q486-A488 VanDerWaalsContact C-N 3.31Å; Q486-A488 PolarHBondContact O-N 2.84Å; Q486-G489 WeakPolarHBondContact O-CA 3.3Å; Q486-G489 PolarHBondContact O-N 3.5Å; Q486-S491 WeakPolarHBondContact CA-O 3.32Å; Q486-K493 VanDerWaalsContact OE1-CB 3.22Å
487	A	97.8	Very high	97.8	Very high	71 Å²	71	24.8 Å²	24.8	59%	0.587	14%	0.143	S	C	*	.	H	α-helix	trans	-66.2	-32.8	177.3	0	0	0	0	0	112.6	T18 D483 T484 G489	T18-A487 HydrophobicContact CG2-CB 3.79Å; D483-A487 VanDerWaalsContact O-CB 3.27Å; D483-A487 WeakPolarHBondContact O-CB 3.37Å; D483-A487 PolarHBondContact O-N 3.12Å; T484-A487 PolarHBondContact O-N 3.19Å; A487-G489 PolarHBondContact O-N 3.35Å
488	A	97.6	Very high	98	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-69.7	-21.4	169.5	0	0	0	0	0	112.4	Y37 K417 T484 C485 Q486 I490	Y37-A488 HydrophobicContact CD1-CB 3.7Å; Y37-A488 HydrophobicContact CE1-CB 3.87Å; K417-A488 VanDerWaalsContact CD-O 3.31Å; K417-A488 WeakPolarHBondContact CD-O 3.44Å; K417-A488 WeakPolarHBondContact CE-O 3.42Å; K417-A488 PolarHBondContact NZ-O 3.18Å; T484-A488 VanDerWaalsContact O-CB 3.28Å; T484-A488 WeakPolarHBondContact O-CB 3.46Å; T484-A488 PolarHBondContact O-N 2.88Å; C485-A488 PolarHBondContact O-N 3.37Å; Q486-A488 VanDerWaalsContact C-N 3.31Å; Q486-A488 PolarHBondContact O-N 2.84Å; A488-I490 HydrophobicContact CB-CG1 4.25Å; A488-I490 HydrophobicContact CB-CG2 4.37Å
489	G	97.9	Very high	98	Very high	19 Å²	19	24.8 Å²	24.8	20%	0.196	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	16	-179.1	0	0	0	0	0	114	T415 K417 C485 Q486 A487	T415-G489 WeakPolarHBondContact CB-O 3.36Å; T415-G489 PolarHBondContact OG1-O 3.18Å; K417-G489 WeakPolarHBondContact CB-O 3.34Å; C485-G489 PolarHBondContact O-N 3.17Å; Q486-G489 WeakPolarHBondContact O-CA 3.3Å; Q486-G489 PolarHBondContact O-N 3.5Å; A487-G489 PolarHBondContact O-N 3.35Å
490	I	98.1	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-90.4	-3.7	-177.6	62.2	173.3	0	0	0	113.3	L85 T415 A418 E421 T422 C485 A488	L85-I490 HydrophobicContact CD2-CD1 3.55Å; T415-I490 WeakPolarHBondContact OG1-CA 3.34Å; A418-I490 HydrophobicContact CB-CB 4.17Å; A418-I490 WeakPolarHBondContact CB-O 3.39Å; E421-I490 HydrophobicContact CB-CG2 4.32Å; T422-I490 HydrophobicContact CG2-CD1 4.41Å; T422-I490 HydrophobicContact CG2-CG2 4.01Å; C485-I490 HydrophobicContact CB-CD1 4.32Å; C485-I490 HydrophobicContact CB-CG1 4Å; C485-I490 WeakPolarHBondContact O-CG1 3.38Å; C485-I490 PolarHBondContact O-N 3.34Å; C485-I490 VanDerWaalsContact O-N 3.09Å; A488-I490 HydrophobicContact CB-CG1 4.25Å; A488-I490 HydrophobicContact CB-CG2 4.37Å
491	S	98.4	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.121	C	C	.	.	S	Bend	trans	-164.5	154.1	168.2	46.1	0	0	0	0	109.5	L412 T413 T426 C485 Q486	L412-S491 WeakPolarHBondContact CD1-OG 3.47Å; T413-S491 CarbonylContact O-C 3.52Å; T413-S491 WeakPolarHBondContact O-CA 3.31Å; T413-S491 WeakPolarHBondContact O-CB 3.47Å; T426-S491 PolarHBondContact OG1-OG 2.75Å; C485-S491 WeakPolarHBondContact CB-OG 3.49Å; Q486-S491 WeakPolarHBondContact CA-O 3.32Å
492	N	98.5	Very high	98	Very high	72 Å²	72	22 Å²	22	39%	0.385	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.4	177.2	-66.4	-32.4	0	0	0	110.3	L412 T413 T415	L412-N492 CarbonylContact C-O 3.56Å; L412-N492 WeakPolarHBondContact CA-O 3.27Å; L412-N492 VanDerWaalsContact CB-O 3.23Å; L412-N492 WeakPolarHBondContact CB-O 3.43Å; T413-N492 PolarHBondContact N-O 3.42Å; T413-N492 PolarHBondContact O-N 2.98Å; T415-N492 WeakPolarHBondContact CG2-ND2 3.4Å
493	K	98.6	Very high	97.8	Very high	22 Å²	22	22 Å²	22	10%	0.096	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.1	173.5	-70.2	177.8	-174.8	-175.7	0	111.3	F238 Y410 L412 V482 D483 Q486	F238-K493 HydrophobicContact CB-CB 3.94Å; F238-K493 WeakPolarHBondContact CB-O 3.45Å; F238-K493 HydrophobicContact CD1-CB 4.48Å; F238-K493 HydrophobicContact CD1-CD 4.2Å; F238-K493 HydrophobicContact CD2-CB 3.61Å; F238-K493 HydrophobicContact CD2-CD 4.07Å; F238-K493 HydrophobicContact CD2-CG 4.41Å; F238-K493 HydrophobicContact CE1-CD 4.09Å; F238-K493 HydrophobicContact CE2-CB 4.21Å; F238-K493 HydrophobicContact CE2-CD 3.93Å; F238-K493 HydrophobicContact CG-CB 3.76Å; F238-K493 HydrophobicContact CG-CD 4.2Å; F238-K493 HydrophobicContact CZ-CD 3.96Å; Y410-K493 HydrophobicContact CE1-CD 4.5Å; L412-K493 HydrophobicContact CD2-CB 4.3Å; L412-K493 HydrophobicContact CD2-CG 3.93Å; V482-K493 HydrophobicContact CG1-CD 4.13Å; V482-K493 HydrophobicContact CG1-CG 3.63Å; D483-K493 WeakPolarHBondContact OD1-CE 3.25Å; D483-K493 IonicContact OD1-NZ 2.57Å; D483-K493 PolarHBondContact OD1-NZ 2.56Å; Q486-K493 VanDerWaalsContact OE1-CB 3.22Å
494	V	98.8	Very high	97.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-55.3	171.4	-174.5	0	0	0	0	110.5	F238 D239 A242 A243 M246 V411 T413	F238-V494 PolarHBondContact N-O 2.85Å; D239-V494 HydrophobicContact CB-CG1 4.38Å; D239-V494 HydrophobicContact CB-CG2 4.41Å; D239-V494 PolarHBondContact N-O 3.11Å; A242-V494 HydrophobicContact CB-CB 4.46Å; A242-V494 HydrophobicContact CB-CG1 3.72Å; A242-V494 HydrophobicContact CB-CG2 3.82Å; A243-V494 HydrophobicContact CB-CG1 4.08Å; M246-V494 HydrophobicContact CE-CG1 4.41Å; M246-V494 HydrophobicContact CE-CG2 4.32Å; M246-V494 HydrophobicContact SD-CG1 4.31Å; V411-V494 WeakPolarHBondContact O-CA 3.32Å; V411-V494 WeakPolarHBondContact O-CB 3.1Å; V411-V494 PolarHBondContact O-N 2.95Å; T413-V494 HydrophobicContact CG2-CG2 3.69Å
495	L	98.6	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.1	-175.5	-53.5	174.1	0	0	0	111.5	V234 E236 I237 A243 I248 Y410 V411 L497	V234-L495 HydrophobicContact CG1-CD2 4.23Å; E236-L495 WeakPolarHBondContact O-CA 3.42Å; I237-L495 HydrophobicContact CB-CD2 4.41Å; I237-L495 HydrophobicContact CG1-CD2 3.83Å; I237-L495 HydrophobicContact CG2-CD2 4.38Å; A243-L495 HydrophobicContact CB-CD2 3.73Å; I248-L495 HydrophobicContact CB-CD1 4.26Å; I248-L495 HydrophobicContact CB-CD2 4.45Å; I248-L495 HydrophobicContact CG1-CD1 3.82Å; I248-L495 HydrophobicContact CG2-CD1 4.25Å; I248-L495 HydrophobicContact CG2-CD2 3.91Å; Y410-L495 VanDerWaalsContact CA-O 3.3Å; Y410-L495 WeakPolarHBondContact CA-O 3.38Å; Y410-L495 WeakPolarHBondContact CD1-O 3.42Å; V411-L495 HydrophobicContact CB-CB 3.96Å; V411-L495 HydrophobicContact CB-CD1 4.11Å; V411-L495 HydrophobicContact CB-CG 4.16Å; V411-L495 HydrophobicContact CG2-CB 4.16Å; V411-L495 HydrophobicContact CG2-CD1 3.96Å; V411-L495 HydrophobicContact CG2-CG 4.44Å; V411-L495 PolarHBondContact N-O 2.95Å; V411-L495 PolarHBondContact O-N 3.32Å; L495-L497 HydrophobicContact CB-CD2 4.16Å; L495-L497 HydrophobicContact CD1-CD2 4.48Å
496	K	98.6	Very high	96.5	Very high	42 Å²	42	21.2 Å²	21.2	18%	0.183	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.7	158.3	-166.7	177	-179.6	-150	0	109.1	E235 E236 F238 C408 Y410	E235-K496 PolarHBondContact N-O 2.77Å; E235-K496 VanDerWaalsContact OE2-CD 3.3Å; E235-K496 WeakPolarHBondContact OE2-CD 3.26Å; E235-K496 WeakPolarHBondContact OE2-CE 3.04Å; E235-K496 IonicContact OE2-NZ 2.73Å; E235-K496 PolarHBondContact OE2-NZ 2.99Å; E236-K496 HydrophobicContact CB-CB 3.76Å; E236-K496 HydrophobicContact CB-CD 4.46Å; E236-K496 PolarHBondContact N-O 3.43Å; E236-K496 PolarHBondContact O-N 2.88Å; F238-K496 HydrophobicContact CE2-CB 3.88Å; F238-K496 HydrophobicContact CZ-CB 4.31Å; C408-K496 HydrophobicContact CB-CG 4.06Å; Y410-K496 HydrophobicContact CD1-CB 4.19Å; Y410-K496 HydrophobicContact CD1-CG 4.28Å; Y410-K496 HydrophobicContact CE1-CB 3.84Å; Y410-K496 HydrophobicContact CE1-CD 4.09Å; Y410-K496 HydrophobicContact CE1-CG 3.67Å; Y410-K496 HydrophobicContact CE2-CG 4.48Å; Y410-K496 WeakPolarHBondContact OH-CE 3.47Å
497	L	98.6	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.5	-177.9	-53.6	177.8	0	0	0	109.7	L126 Q232 V233 V234 V255 M257 C408 S409 V411 L495	L126-L497 HydrophobicContact CD1-CD1 4.11Å; L126-L497 HydrophobicContact CD2-CD1 4.15Å; Q232-L497 HydrophobicContact CB-CB 4.18Å; V233-L497 CarbonylContact O-C 3.44Å; V233-L497 WeakPolarHBondContact O-CA 3.23Å; V234-L497 HydrophobicContact CB-CD2 4.48Å; V234-L497 HydrophobicContact CG2-CD2 3.92Å; V255-L497 HydrophobicContact CG2-CD1 4.02Å; V255-L497 HydrophobicContact CG2-CD2 4.06Å; M257-L497 HydrophobicContact CE-CD1 3.96Å; C408-L497 CarbonylContact C-O 3.6Å; C408-L497 WeakPolarHBondContact CA-O 3.49Å; C408-L497 WeakPolarHBondContact CB-O 3.04Å; S409-L497 PolarHBondContact N-O 2.67Å; S409-L497 PolarHBondContact O-N 3.44Å; V411-L497 HydrophobicContact CG2-CD1 4.02Å; L495-L497 HydrophobicContact CB-CD2 4.16Å; L495-L497 HydrophobicContact CD1-CD2 4.48Å
498	R	97.6	Very high	96.3	Very high	81 Å²	81	15 Å²	15	31%	0.306	8%	0.078	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.7	176.1	179.8	172.1	53.6	75.9	2.4	110.6	Q232 V233 E235	Q232-R498 CarbonylContact C-O 3.42Å; Q232-R498 VanDerWaalsContact CA-O 3.25Å; Q232-R498 WeakPolarHBondContact CA-O 3.26Å; V233-R498 HydrophobicContact CG2-CB 4.31Å; V233-R498 PolarHBondContact N-O 2.9Å; V233-R498 PolarHBondContact O-N 3.36Å; E235-R498 HydrophobicContact CB-CB 4.24Å; E235-R498 VanDerWaalsContact OE1-CD 3.25Å; E235-R498 WeakPolarHBondContact OE1-CD 3.24Å; E235-R498 IonicContact OE1-NE 3.9Å; E235-R498 PolarHBondContact OE1-NE 3.3Å
499	P	97.5	Very high	96.3	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.019	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.7	177	28.5	-35	0	0	0	111.7	Q232 T407 I457 V502	Q232-P499 HydrophobicContact CG-CB 4.41Å; T407-P499 WeakPolarHBondContact O-CD 3.32Å; T407-P499 WeakPolarHBondContact O-CG 3.48Å; I457-P499 HydrophobicContact CD1-CG 3.97Å; P499-V502 HydrophobicContact CB-CG2 4.33Å
500	I	97.8	Very high	96.2	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-20.8	171.2	60.9	165.1	0	0	0	112.1	L133 V136 K140 I231 V233 S458	L133-I500 HydrophobicContact CD1-CD1 3.99Å; L133-I500 HydrophobicContact CD1-CG2 4.22Å; V136-I500 HydrophobicContact CB-CD1 4.42Å; V136-I500 HydrophobicContact CG1-CD1 3.86Å; K140-I500 HydrophobicContact CD-CB 4.4Å; K140-I500 WeakPolarHBondContact CD-O 3.43Å; I231-I500 HydrophobicContact CB-CG1 4.13Å; I231-I500 HydrophobicContact CG2-CD1 3.85Å; I231-I500 HydrophobicContact CG2-CG1 3.78Å; I231-I500 VanDerWaalsContact O-CG1 3.29Å; I231-I500 WeakPolarHBondContact O-CG1 3.27Å; I231-I500 PolarHBondContact O-N 3.31Å; V233-I500 HydrophobicContact CG1-CD1 3.9Å; V233-I500 HydrophobicContact CG1-CG1 4.42Å; V233-I500 HydrophobicContact CG1-CG2 4.31Å; V233-I500 HydrophobicContact CG2-CG2 4.14Å; S458-I500 PolarHBondContact N-O 2.84Å
501	G	97.2	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.1	174.3	0	0	0	0	0	111	E230 I231 S458	E230-G501 CarbonylContact C-O 3.55Å; E230-G501 VanDerWaalsContact CA-O 3.27Å; E230-G501 WeakPolarHBondContact CA-O 3.19Å; I231-G501 PolarHBondContact N-O 3.11Å; I231-G501 PolarHBondContact O-N 3.06Å; I231-G501 VanDerWaalsContact O-N 3.09Å; S458-G501 CarbonylContact O-C 3.47Å; S458-G501 WeakPolarHBondContact O-CA 3.39Å
502	V	96.3	Very high	95.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.3	-176	-173.4	0	0	0	0	109.7	E230 M405 I457 S458 I459 R460 P499	E230-V502 HydrophobicContact CG-CB 4.15Å; E230-V502 HydrophobicContact CG-CG1 3.81Å; E230-V502 HydrophobicContact CG-CG2 3.86Å; M405-V502 HydrophobicContact CB-CG1 3.99Å; M405-V502 HydrophobicContact CB-CG2 4.41Å; I457-V502 HydrophobicContact CG2-CG2 3.58Å; S458-V502 PolarHBondContact O-N 3.13Å; I459-V502 CarbonylContact C-O 3.5Å; I459-V502 WeakPolarHBondContact CA-O 3.38Å; I459-V502 HydrophobicContact CG1-CB 4.49Å; R460-V502 PolarHBondContact N-O 3.43Å; P499-V502 HydrophobicContact CB-CG2 4.33Å
503	I	94.5	Very high	95.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.5	164.6	69.4	164.6	0	0	0	110.1	T144 L147 F148 I151 V153 L222 Y228 A229 R460	T144-I503 HydrophobicContact CG2-CG2 3.87Å; T144-I503 WeakPolarHBondContact O-CG2 3.43Å; L147-I503 HydrophobicContact CB-CD1 4.22Å; L147-I503 HydrophobicContact CB-CG2 4.16Å; F148-I503 HydrophobicContact CB-CG2 3.87Å; F148-I503 HydrophobicContact CD2-CB 4.19Å; F148-I503 HydrophobicContact CD2-CG2 4.33Å; I151-I503 HydrophobicContact CB-CD1 3.89Å; I151-I503 HydrophobicContact CD1-CD1 3.95Å; I151-I503 HydrophobicContact CG1-CD1 4.45Å; I151-I503 HydrophobicContact CG2-CD1 4.17Å; V153-I503 HydrophobicContact CG1-CD1 4.28Å; L222-I503 HydrophobicContact CD1-CD1 4.44Å; Y228-I503 VanDerWaalsContact CA-O 3.27Å; Y228-I503 WeakPolarHBondContact CA-O 3.34Å; Y228-I503 WeakPolarHBondContact CB-O 3.44Å; A229-I503 HydrophobicContact CB-CD1 3.91Å; A229-I503 HydrophobicContact CB-CG1 3.63Å; A229-I503 PolarHBondContact N-O 3.05Å; A229-I503 WeakPolarHBondContact O-CG1 3.39Å; A229-I503 PolarHBondContact O-N 3.31Å; R460-I503 HydrophobicContact CB-CG2 4.27Å; R460-I503 WeakPolarHBondContact O-CA 3.41Å
504	K	90.6	Very high	95.4	Very high	11 Å²	11	12.7 Å²	12.7	5%	0.048	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.7	-175.4	-167.1	168.1	-170.3	71.5	0	111.1	G225 N226 H227 R460 V461 A462	G225-K504 WeakPolarHBondContact O-CE 3.39Å; G225-K504 PolarHBondContact O-NZ 2.84Å; N226-K504 PolarHBondContact O-NZ 2.9Å; H227-K504 WeakPolarHBondContact O-CG 3.26Å; H227-K504 PolarHBondContact O-NZ 2.82Å; R460-K504 PolarHBondContact O-N 3.22Å; V461-K504 WeakPolarHBondContact CA-O 3.39Å; V461-K504 HydrophobicContact CG1-CB 4.13Å; A462-K504 PolarHBondContact N-O 3.12Å; A462-K504 VanDerWaalsContact N-O 3.08Å
505	G	79.1	Confident	95.1	Very high	10 Å²	10	13.8 Å²	13.8	10%	0.103	6%	0.062	C	C	.	.			trans	-101.1	0	176.7	0	0	0	0	0	115.6	G154 G223	G154-G505 VanDerWaalsContact CA-OXT 3.29Å; G154-G505 WeakPolarHBondContact CA-OXT 3.45Å; G223-G505 WeakPolarHBondContact O-CA 3.48Å

Retrieved 505 of 505 residues in 340.8 ms (Link to these results)

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