A0A077ZCJ1_TRITR Loading...

Disks large 1

AlphaFold DB , UniProt , Accession A0A077ZCJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 780 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.9	Very low	64	Low	165 Å²	165	101.4 Å²	101.4	81%	0.813	54%	0.535	S	S	*	.				0	-53.4	0	-152.1	-179.7	-68.4	0	0	112	L3 C4 L5	M1-L3 PolarHBondContact O-N 3.36Å; M1-C4 WeakPolarHBondContact O-CA 3.31Å; M1-C4 WeakPolarHBondContact O-CB 3.26Å; M1-C4 PolarHBondContact O-N 3.24Å; M1-L5 HydrophobicContact CG-CD1 4.41Å; M1-L5 PolarHBondContact O-N 3.37Å
2	L	45.1	Very low	65.3	Low	137 Å²	137	97.1 Å²	97.1	72%	0.717	52%	0.519	S	S	*	.	H	α-helix	trans	-55.5	-44.2	175.5	-97.3	121.5	0	0	0	114.3	C4 L5 K6	L2-C4 VanDerWaalsContact C-N 3.27Å; L2-C4 PolarHBondContact O-N 3.06Å; L2-L5 PolarHBondContact O-N 3.49Å; L2-K6 WeakPolarHBondContact O-CG 3.46Å; L2-K6 PolarHBondContact O-N 2.99Å
3	L	52.8	Low	66.7	Low	119 Å²	119	95.5 Å²	95.5	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-59.7	-40.6	175.6	-161.7	76	0	0	0	111.4	M1 K6 C7	M1-L3 PolarHBondContact O-N 3.36Å; L3-K6 PolarHBondContact O-N 3.13Å; L3-C7 WeakPolarHBondContact O-CB 3.11Å; L3-C7 PolarHBondContact O-N 2.63Å; L3-C7 PolarHBondContact O-SG 2.76Å
4	C	60.6	Low	68	Low	92 Å²	92	94 Å²	94	62%	0.622	50%	0.498	S	S	*	.	H	α-helix	trans	-68.1	-38.5	177.6	-160.7	0	0	0	0	111.8	M1 L2 F8	M1-C4 WeakPolarHBondContact O-CA 3.31Å; M1-C4 WeakPolarHBondContact O-CB 3.26Å; M1-C4 PolarHBondContact O-N 3.24Å; L2-C4 VanDerWaalsContact C-N 3.27Å; L2-C4 PolarHBondContact O-N 3.06Å; C4-F8 VanDerWaalsContact O-CB 3.27Å; C4-F8 WeakPolarHBondContact O-CB 3.05Å; C4-F8 PolarHBondContact O-N 3.29Å
5	L	64.4	Low	69.1	Low	108 Å²	108	95.3 Å²	95.3	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-45	171.5	-107.6	86	0	0	0	111.9	M1 L2 F8 C9	M1-L5 HydrophobicContact CG-CD1 4.41Å; M1-L5 PolarHBondContact O-N 3.37Å; L2-L5 PolarHBondContact O-N 3.49Å; L5-F8 PolarHBondContact O-N 3.46Å; L5-C9 PolarHBondContact O-N 2.77Å; L5-C9 PolarHBondContact O-SG 2.88Å
6	K	66	Low	70.1	Confident	102 Å²	102	96.7 Å²	96.7	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-44.1	177.2	-73.2	-174.8	177.8	-172.2	0	111.6	L2 L3 F8 C9 L10	L2-K6 WeakPolarHBondContact O-CG 3.46Å; L2-K6 PolarHBondContact O-N 2.99Å; L3-K6 PolarHBondContact O-N 3.13Å; K6-F8 VanDerWaalsContact C-N 3.33Å; K6-F8 PolarHBondContact O-N 3Å; K6-C9 PolarHBondContact O-N 2.85Å; K6-L10 WeakPolarHBondContact O-CB 3.1Å; K6-L10 PolarHBondContact O-N 3.03Å
7	C	68.4	Low	71.3	Confident	47 Å²	47	92.3 Å²	92.3	32%	0.318	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-43.8	171.6	-69.7	0	0	0	0	111.6	L3 L10 I11 M49	L3-C7 WeakPolarHBondContact O-CB 3.11Å; L3-C7 PolarHBondContact O-N 2.63Å; L3-C7 PolarHBondContact O-SG 2.76Å; C7-L10 PolarHBondContact O-N 3.04Å; C7-I11 WeakPolarHBondContact O-CB 3.04Å; C7-I11 VanDerWaalsContact O-CG1 3.23Å; C7-I11 WeakPolarHBondContact O-CG1 3.4Å; C7-I11 PolarHBondContact O-N 3.49Å; C7-M49 VanDerWaalsContact SG-CE 3.51Å
8	F	73.1	Confident	72.3	Confident	143 Å²	143	93.7 Å²	93.7	63%	0.627	48%	0.478	S	S	*	.	H	α-helix	trans	-65.3	-41.3	-180	-171.1	-90.8	0	0	0	112.1	C4 L5 K6 S12	C4-F8 VanDerWaalsContact O-CB 3.27Å; C4-F8 WeakPolarHBondContact O-CB 3.05Å; C4-F8 PolarHBondContact O-N 3.29Å; L5-F8 PolarHBondContact O-N 3.46Å; K6-F8 VanDerWaalsContact C-N 3.33Å; K6-F8 PolarHBondContact O-N 3Å; F8-S12 VanDerWaalsContact O-CB 3.31Å; F8-S12 WeakPolarHBondContact O-CB 3.26Å; F8-S12 PolarHBondContact O-N 3.46Å; F8-S12 PolarHBondContact O-OG 3.39Å
9	C	72.2	Confident	73	Confident	71 Å²	71	92.9 Å²	92.9	48%	0.48	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-45.4	173.1	-67.7	0	0	0	0	111.2	L5 K6 S12 E13	L5-C9 PolarHBondContact O-N 2.77Å; L5-C9 PolarHBondContact O-SG 2.88Å; K6-C9 PolarHBondContact O-N 2.85Å; C9-S12 PolarHBondContact O-N 3.29Å; C9-E13 PolarHBondContact O-N 3.21Å
10	L	75.2	Confident	73.7	Confident	33 Å²	33	92.3 Å²	92.3	17%	0.173	47%	0.473	C	S	.	.	H	α-helix	trans	-63.1	-45.5	178.3	-176.5	61.5	0	0	0	112	K6 C7 S12 E13 I14 P48 M49	K6-L10 WeakPolarHBondContact O-CB 3.1Å; K6-L10 PolarHBondContact O-N 3.03Å; C7-L10 PolarHBondContact O-N 3.04Å; L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.35Å; L10-E13 PolarHBondContact O-N 2.82Å; L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.38Å; L10-I14 HydrophobicContact CG-CD1 3.88Å; L10-I14 WeakPolarHBondContact O-CB 3.37Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.24Å; L10-P48 HydrophobicContact CD1-CB 3.83Å; L10-P48 HydrophobicContact CD1-CG 3.47Å; L10-P48 VanDerWaalsContact CD1-CG 3.47Å; L10-P48 HydrophobicContact CD2-CB 4.09Å; L10-P48 HydrophobicContact CD2-CG 3.79Å; L10-P48 HydrophobicContact CG-CB 4.38Å; L10-P48 HydrophobicContact CG-CG 4.22Å; L10-M49 HydrophobicContact CD2-CE 4.42Å
11	I	80.2	Confident	74.4	Confident	98 Å²	98	88.3 Å²	88.3	50%	0.503	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-41.1	175.3	-69.8	165.9	0	0	0	110.2	C7 I14 Q15	C7-I11 WeakPolarHBondContact O-CB 3.04Å; C7-I11 VanDerWaalsContact O-CG1 3.23Å; C7-I11 WeakPolarHBondContact O-CG1 3.4Å; C7-I11 PolarHBondContact O-N 3.49Å; I11-I14 PolarHBondContact O-N 2.96Å; I11-Q15 WeakPolarHBondContact O-CB 3.47Å; I11-Q15 PolarHBondContact O-N 3.05Å
12	S	80	Confident	76.4	Confident	50 Å²	50	83.8 Å²	83.8	35%	0.35	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-44.5	177.3	-59.4	0	0	0	0	111.8	F8 C9 L10 Q15 E16	F8-S12 VanDerWaalsContact O-CB 3.31Å; F8-S12 WeakPolarHBondContact O-CB 3.26Å; F8-S12 PolarHBondContact O-N 3.46Å; F8-S12 PolarHBondContact O-OG 3.39Å; C9-S12 PolarHBondContact O-N 3.29Å; L10-S12 VanDerWaalsContact C-N 3.28Å; L10-S12 PolarHBondContact O-N 3.35Å; S12-Q15 PolarHBondContact O-N 2.78Å; S12-E16 WeakPolarHBondContact O-CB 3.23Å; S12-E16 PolarHBondContact O-N 3.02Å
13	E	82.9	Confident	78.4	Confident	76 Å²	76	82.2 Å²	82.2	36%	0.355	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-43.3	176	-78.4	-173.5	179	0	0	112.2	C9 L10 Q15 E16 F17	C9-E13 PolarHBondContact O-N 3.21Å; L10-E13 PolarHBondContact O-N 2.82Å; E13-Q15 VanDerWaalsContact C-N 3.29Å; E13-Q15 PolarHBondContact O-N 3.24Å; E13-E16 PolarHBondContact O-N 3.24Å; E13-F17 WeakPolarHBondContact O-CB 3.19Å; E13-F17 PolarHBondContact O-N 2.77Å
14	I	85.7	Confident	80.1	Confident	75 Å²	75	78.6 Å²	78.6	39%	0.385	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-41.5	175.7	-70.2	167.8	0	0	0	110.1	L10 I11 Y18 W43	L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.38Å; L10-I14 HydrophobicContact CG-CD1 3.88Å; L10-I14 WeakPolarHBondContact O-CB 3.37Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.24Å; I11-I14 PolarHBondContact O-N 2.96Å; I14-Y18 VanDerWaalsContact O-CB 3.32Å; I14-Y18 WeakPolarHBondContact O-CB 3.23Å; I14-Y18 PolarHBondContact O-N 3.17Å; I14-W43 HydrophobicContact CG1-CH2 3.65Å; I14-W43 HydrophobicContact CG1-CZ2 3.65Å
15	Q	84.5	Confident	81.5	Confident	113 Å²	113	83.1 Å²	83.1	53%	0.528	42%	0.415	S	S	.	.	H	α-helix	trans	-72.3	-35.9	-179.2	-167.6	151.1	-12.9	0	0	112.4	I11 S12 E13 Y18 N19	I11-Q15 WeakPolarHBondContact O-CB 3.47Å; I11-Q15 PolarHBondContact O-N 3.05Å; S12-Q15 PolarHBondContact O-N 2.78Å; E13-Q15 VanDerWaalsContact C-N 3.29Å; E13-Q15 PolarHBondContact O-N 3.24Å; Q15-Y18 PolarHBondContact O-N 2.84Å; Q15-N19 WeakPolarHBondContact O-CB 3.5Å; Q15-N19 VanDerWaalsContact O-CG 3.25Å; Q15-N19 PolarHBondContact O-N 2.87Å; Q15-N19 PolarHBondContact O-ND2 3.33Å; Q15-N19 VanDerWaalsContact O-ND2 3.15Å
16	E	85.1	Confident	82.7	Confident	118 Å²	118	85.2 Å²	85.2	55%	0.551	43%	0.427	S	S	*	.	H	α-helix	trans	-64.4	-47.4	171.6	-168.3	174.8	-172.5	0	0	110.6	S12 E13 Y18 N19 D20	S12-E16 WeakPolarHBondContact O-CB 3.23Å; S12-E16 PolarHBondContact O-N 3.02Å; E13-E16 PolarHBondContact O-N 3.24Å; E16-Y18 PolarHBondContact O-N 2.7Å; E16-N19 PolarHBondContact O-N 3.29Å; E16-D20 WeakPolarHBondContact CG-OD2 3.32Å; E16-D20 VanDerWaalsContact O-CB 3.26Å; E16-D20 WeakPolarHBondContact O-CB 3.39Å; E16-D20 PolarHBondContact O-N 2.83Å
17	F	89.3	Confident	83.6	Confident	22 Å²	22	82.6 Å²	82.6	10%	0.096	42%	0.416	C	S	.	.	H	α-helix	trans	-57.7	-46.2	173	172.5	-122.4	0	0	0	112.5	E13 N19 T21 L22 T36 I39	E13-F17 WeakPolarHBondContact O-CB 3.19Å; E13-F17 PolarHBondContact O-N 2.77Å; F17-N19 PolarHBondContact O-N 2.87Å; F17-T21 HydrophobicContact CD2-CG2 4.05Å; F17-T21 WeakPolarHBondContact CD2-OG1 3.39Å; F17-T21 HydrophobicContact CE2-CG2 3.58Å; F17-T21 HydrophobicContact CZ-CG2 4.5Å; F17-T21 WeakPolarHBondContact O-CA 3.4Å; F17-T21 WeakPolarHBondContact O-CB 3.13Å; F17-T21 PolarHBondContact O-N 2.87Å; F17-T21 PolarHBondContact O-OG1 2.79Å; F17-L22 HydrophobicContact CD1-CD1 4.13Å; F17-L22 HydrophobicContact CD1-CG 4.42Å; F17-L22 HydrophobicContact CE1-CD1 3.58Å; F17-L22 HydrophobicContact CE1-CD2 4.26Å; F17-L22 HydrophobicContact CE1-CG 3.86Å; F17-L22 HydrophobicContact CE2-CD2 4.45Å; F17-L22 HydrophobicContact CE2-CG 4.33Å; F17-L22 HydrophobicContact CZ-CD1 4.03Å; F17-L22 HydrophobicContact CZ-CD2 3.83Å; F17-L22 HydrophobicContact CZ-CG 3.82Å; F17-L22 PolarHBondContact O-N 3.45Å; F17-T36 HydrophobicContact CZ-CG2 3.84Å; F17-T36 WeakPolarHBondContact CZ-OG1 3.48Å; F17-I39 HydrophobicContact CB-CD1 3.6Å; F17-I39 HydrophobicContact CD2-CD1 3.4Å; F17-I39 HydrophobicContact CD2-CG1 4.45Å; F17-I39 HydrophobicContact CE2-CD1 4.22Å; F17-I39 HydrophobicContact CG-CD1 3.64Å; F17-I39 HydrophobicContact CG-CG2 4.46Å
18	Y	89	Confident	84.1	Confident	118 Å²	118	83 Å²	83	46%	0.463	42%	0.419	S	S	.	.	I	π-helix	trans	-59.5	-45.8	178.3	-176.7	-99.6	0	0	0	111.5	I14 Q15 E16 L22 M23	I14-Y18 VanDerWaalsContact O-CB 3.32Å; I14-Y18 WeakPolarHBondContact O-CB 3.23Å; I14-Y18 PolarHBondContact O-N 3.17Å; Q15-Y18 PolarHBondContact O-N 2.84Å; E16-Y18 PolarHBondContact O-N 2.7Å; Y18-L22 HydrophobicContact CD2-CB 4.32Å; Y18-L22 HydrophobicContact CD2-CD1 4.07Å; Y18-L22 PolarHBondContact O-N 2.95Å; Y18-M23 HydrophobicContact CD1-CG 3.66Å; Y18-M23 HydrophobicContact CD2-CG 4.38Å; Y18-M23 HydrophobicContact CE1-CG 3.25Å; Y18-M23 HydrophobicContact CE1-SD 3.97Å; Y18-M23 HydrophobicContact CE2-CG 4.02Å; Y18-M23 HydrophobicContact CE2-SD 4.2Å; Y18-M23 HydrophobicContact CG-CG 4.22Å; Y18-M23 VanDerWaalsContact CZ-CG 3.44Å; Y18-M23 VanDerWaalsContact CZ-SD 3.59Å; Y18-M23 VanDerWaalsContact O-CB 3.32Å; Y18-M23 WeakPolarHBondContact O-CB 3.15Å; Y18-M23 WeakPolarHBondContact O-CG 3.42Å; Y18-M23 PolarHBondContact O-N 2.83Å; Y18-M23 PolarHBondContact OH-SD 2.67Å; Y18-M23 VanDerWaalsContact OH-SD 3.35Å
19	N	86.2	Confident	84	Confident	79 Å²	79	82.4 Å²	82.4	42%	0.422	42%	0.422	S	S	.	.	I	π-helix	trans	-74.6	-49.7	-178.2	-69.5	-29.2	0	0	0	112.8	Q15 E16 F17 N24	Q15-N19 WeakPolarHBondContact O-CB 3.5Å; Q15-N19 VanDerWaalsContact O-CG 3.25Å; Q15-N19 PolarHBondContact O-N 2.87Å; Q15-N19 PolarHBondContact O-ND2 3.33Å; Q15-N19 VanDerWaalsContact O-ND2 3.15Å; E16-N19 PolarHBondContact O-N 3.29Å; F17-N19 PolarHBondContact O-N 2.87Å; N19-N24 PolarHBondContact O-N 2.82Å
20	D	87.8	Confident	83.8	Confident	80 Å²	80	83.5 Å²	83.5	43%	0.428	42%	0.422	S	S	.	.	I	π-helix	trans	-82.2	-24.2	-169.3	-67.7	-9.4	0	0	0	112.4	E16 N24 K27	E16-D20 WeakPolarHBondContact CG-OD2 3.32Å; E16-D20 VanDerWaalsContact O-CB 3.26Å; E16-D20 WeakPolarHBondContact O-CB 3.39Å; E16-D20 PolarHBondContact O-N 2.83Å; D20-N24 WeakPolarHBondContact O-CB 3.38Å; D20-N24 PolarHBondContact O-ND2 2.8Å; D20-K27 WeakPolarHBondContact O-CD 3.45Å; D20-K27 WeakPolarHBondContact O-CE 3.37Å; D20-K27 PolarHBondContact O-NZ 2.8Å
21	T	87.5	Confident	83.8	Confident	8 Å²	8	86.4 Å²	86.4	5%	0.049	43%	0.434	C	S	.	.	I	π-helix	trans	-110.5	-65.9	-179.3	-49.2	0	0	0	0	111.3	F17 K32 E35	F17-T21 HydrophobicContact CD2-CG2 4.05Å; F17-T21 WeakPolarHBondContact CD2-OG1 3.39Å; F17-T21 HydrophobicContact CE2-CG2 3.58Å; F17-T21 HydrophobicContact CZ-CG2 4.5Å; F17-T21 WeakPolarHBondContact O-CA 3.4Å; F17-T21 WeakPolarHBondContact O-CB 3.13Å; F17-T21 PolarHBondContact O-N 2.87Å; F17-T21 PolarHBondContact O-OG1 2.79Å; T21-K32 HydrophobicContact CG2-CB 4.17Å; T21-K32 HydrophobicContact CG2-CG 4.34Å; T21-K32 WeakPolarHBondContact O-CD 3.39Å; T21-K32 WeakPolarHBondContact O-CE 2.93Å; T21-K32 WeakPolarHBondContact O-CG 3.35Å; T21-E35 WeakPolarHBondContact CB-OE2 3.48Å; T21-E35 HydrophobicContact CG2-CB 3.58Å; T21-E35 HydrophobicContact CG2-CG 4.49Å; T21-E35 WeakPolarHBondContact CG2-OE2 3.47Å; T21-E35 PolarHBondContact OG1-OE2 3.36Å
22	L	87.3	Confident	84	Confident	71 Å²	71	83.6 Å²	83.6	37%	0.372	42%	0.419	S	S	.	.	I	π-helix	trans	-70.3	-44.1	-168.2	-62.9	179.8	0	0	0	112.4	F17 Y18 K32	F17-L22 HydrophobicContact CD1-CD1 4.13Å; F17-L22 HydrophobicContact CD1-CG 4.42Å; F17-L22 HydrophobicContact CE1-CD1 3.58Å; F17-L22 HydrophobicContact CE1-CD2 4.26Å; F17-L22 HydrophobicContact CE1-CG 3.86Å; F17-L22 HydrophobicContact CE2-CD2 4.45Å; F17-L22 HydrophobicContact CE2-CG 4.33Å; F17-L22 HydrophobicContact CZ-CD1 4.03Å; F17-L22 HydrophobicContact CZ-CD2 3.83Å; F17-L22 HydrophobicContact CZ-CG 3.82Å; F17-L22 PolarHBondContact O-N 3.45Å; Y18-L22 HydrophobicContact CD2-CB 4.32Å; Y18-L22 HydrophobicContact CD2-CD1 4.07Å; Y18-L22 PolarHBondContact O-N 2.95Å; L22-K32 PolarHBondContact O-NZ 3.48Å
23	M	88.5	Confident	83.5	Confident	104 Å²	104	83.1 Å²	83.1	51%	0.512	41%	0.414	S	S	.	.	S	Bend	trans	-89.5	-6.7	-179	-66.7	-58.6	-65.9	0	0	114.1	Y18 E25	Y18-M23 HydrophobicContact CD1-CG 3.66Å; Y18-M23 HydrophobicContact CD2-CG 4.38Å; Y18-M23 HydrophobicContact CE1-CG 3.25Å; Y18-M23 HydrophobicContact CE1-SD 3.97Å; Y18-M23 HydrophobicContact CE2-CG 4.02Å; Y18-M23 HydrophobicContact CE2-SD 4.2Å; Y18-M23 HydrophobicContact CG-CG 4.22Å; Y18-M23 VanDerWaalsContact CZ-CG 3.44Å; Y18-M23 VanDerWaalsContact CZ-SD 3.59Å; Y18-M23 VanDerWaalsContact O-CB 3.32Å; Y18-M23 WeakPolarHBondContact O-CB 3.15Å; Y18-M23 WeakPolarHBondContact O-CG 3.42Å; Y18-M23 PolarHBondContact O-N 2.83Å; Y18-M23 PolarHBondContact OH-SD 2.67Å; Y18-M23 VanDerWaalsContact OH-SD 3.35Å; M23-E25 PolarHBondContact O-N 3.08Å; M23-E25 VanDerWaalsContact O-N 3.15Å
24	N	87.5	Confident	83	Confident	43 Å²	43	82.6 Å²	82.6	23%	0.23	42%	0.415	C	S	.	.			trans	-73	108.3	178.9	-170.8	-27.1	0	0	0	110.3	N19 D20 D26 K27 K32	N19-N24 PolarHBondContact O-N 2.82Å; D20-N24 WeakPolarHBondContact O-CB 3.38Å; D20-N24 PolarHBondContact O-ND2 2.8Å; N24-D26 VanDerWaalsContact C-N 3.27Å; N24-D26 PolarHBondContact O-N 3.08Å; N24-D26 WeakPolarHBondContact OD1-CB 3.21Å; N24-D26 PolarHBondContact OD1-N 3.31Å; N24-K27 HydrophobicContact CB-CD 4.18Å; N24-K27 HydrophobicContact CB-CG 4.23Å; N24-K27 PolarHBondContact O-N 2.84Å; N24-K32 WeakPolarHBondContact O-CE 3.15Å; N24-K32 PolarHBondContact O-NZ 3.49Å
25	E	90	Very high	82.7	Confident	186 Å²	186	81.5 Å²	81.5	87%	0.869	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.6	-178.9	-64.4	-171.8	170.1	0	0	113.2	M23 K27	M23-E25 PolarHBondContact O-N 3.08Å; M23-E25 VanDerWaalsContact O-N 3.15Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 3.46Å
26	D	90.9	Very high	82.5	Confident	153 Å²	153	78.4 Å²	78.4	82%	0.818	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.9	178.1	-61.5	-41.7	0	0	0	112.8	N24	N24-D26 VanDerWaalsContact C-N 3.27Å; N24-D26 PolarHBondContact O-N 3.08Å; N24-D26 WeakPolarHBondContact OD1-CB 3.21Å; N24-D26 PolarHBondContact OD1-N 3.31Å
27	K	83.7	Confident	81.8	Confident	46 Å²	46	73.5 Å²	73.5	20%	0.2	38%	0.375	C	S	.	.	S	Bend	trans	-89.4	126.2	178.4	-70.9	-175.3	179.3	177.8	0	111.1	D20 N24 E25 Q31 K32 E35	D20-K27 WeakPolarHBondContact O-CD 3.45Å; D20-K27 WeakPolarHBondContact O-CE 3.37Å; D20-K27 PolarHBondContact O-NZ 2.8Å; N24-K27 HydrophobicContact CB-CD 4.18Å; N24-K27 HydrophobicContact CB-CG 4.23Å; N24-K27 PolarHBondContact O-N 2.84Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 3.46Å; K27-Q31 HydrophobicContact CB-CB 4.16Å; K27-Q31 HydrophobicContact CG-CB 4.47Å; K27-K32 HydrophobicContact CB-CG 3.93Å; K27-K32 VanDerWaalsContact O-CE 3.28Å; K27-K32 WeakPolarHBondContact O-CE 3.49Å; K27-E35 WeakPolarHBondContact CD-OE2 3.34Å; K27-E35 VanDerWaalsContact CE-OE1 3.26Å; K27-E35 WeakPolarHBondContact CE-OE1 3.2Å; K27-E35 WeakPolarHBondContact CE-OE2 3.43Å; K27-E35 IonicContact NZ-OE1 2.79Å; K27-E35 PolarHBondContact NZ-OE1 3.37Å; K27-E35 IonicContact NZ-OE2 3.49Å; K27-E35 PolarHBondContact NZ-OE2 2.92Å
28	S	79.4	Confident	81.1	Confident	55 Å²	55	77.4 Å²	77.4	39%	0.385	40%	0.396	S	S	.	.			trans	-60.3	156.2	169.6	63.5	0	0	0	0	111.4	I30 Q31 K32	S28-I30 PolarHBondContact O-N 2.7Å; S28-I30 VanDerWaalsContact O-N 3.14Å; S28-Q31 PolarHBondContact O-N 3.49Å; S28-Q31 WeakPolarHBondContact OG-CG 3.28Å; S28-Q31 PolarHBondContact OG-N 3.14Å; S28-Q31 PolarHBondContact OG-OE1 3.21Å; S28-K32 WeakPolarHBondContact O-CG 3.36Å; S28-K32 PolarHBondContact O-N 3.46Å
29	L	70.8	Confident	80.5	Confident	131 Å²	131	73 Å²	73	69%	0.686	38%	0.381	S	S	*	.	H	α-helix	trans	-53.1	-36.9	175.2	-168.7	69.2	0	0	0	111.7	K32 T33	L29-K32 PolarHBondContact O-N 3.3Å; L29-T33 PolarHBondContact O-N 3.38Å; L29-T33 PolarHBondContact O-OG1 3.47Å
30	I	68.5	Low	79.8	Confident	95 Å²	95	71 Å²	71	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-49.5	176.6	-52.3	-176.7	0	0	0	111.1	S28 K32 T33 V34	S28-I30 PolarHBondContact O-N 2.7Å; S28-I30 VanDerWaalsContact O-N 3.14Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 3.37Å; I30-T33 PolarHBondContact O-N 2.79Å; I30-V34 WeakPolarHBondContact O-CG2 3.36Å; I30-V34 PolarHBondContact O-N 3.24Å
31	Q	74.4	Confident	78.9	Confident	93 Å²	93	70.9 Å²	70.9	44%	0.435	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-43.3	177.8	-74.9	166.6	-52.7	0	0	111.1	K27 S28 T33 V34 E35	K27-Q31 HydrophobicContact CB-CB 4.16Å; K27-Q31 HydrophobicContact CG-CB 4.47Å; S28-Q31 PolarHBondContact O-N 3.49Å; S28-Q31 WeakPolarHBondContact OG-CG 3.28Å; S28-Q31 PolarHBondContact OG-N 3.14Å; S28-Q31 PolarHBondContact OG-OE1 3.21Å; Q31-T33 VanDerWaalsContact C-N 3.34Å; Q31-T33 PolarHBondContact O-N 3.17Å; Q31-V34 PolarHBondContact O-N 3.26Å; Q31-E35 WeakPolarHBondContact O-CB 3.42Å; Q31-E35 WeakPolarHBondContact O-CG 3.38Å; Q31-E35 PolarHBondContact O-N 2.95Å
32	K	84.4	Confident	78.2	Confident	40 Å²	40	76.9 Å²	76.9	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-60.6	-43	176.9	-62.8	-172	-179	-170.1	0	111.9	T21 L22 N24 K27 S28 L29 I30 T36	T21-K32 HydrophobicContact CG2-CB 4.17Å; T21-K32 HydrophobicContact CG2-CG 4.34Å; T21-K32 WeakPolarHBondContact O-CD 3.39Å; T21-K32 WeakPolarHBondContact O-CE 2.93Å; T21-K32 WeakPolarHBondContact O-CG 3.35Å; L22-K32 PolarHBondContact O-NZ 3.48Å; N24-K32 WeakPolarHBondContact O-CE 3.15Å; N24-K32 PolarHBondContact O-NZ 3.49Å; K27-K32 HydrophobicContact CB-CG 3.93Å; K27-K32 VanDerWaalsContact O-CE 3.28Å; K27-K32 WeakPolarHBondContact O-CE 3.49Å; S28-K32 WeakPolarHBondContact O-CG 3.36Å; S28-K32 PolarHBondContact O-N 3.46Å; L29-K32 PolarHBondContact O-N 3.3Å; I30-K32 VanDerWaalsContact C-N 3.33Å; I30-K32 PolarHBondContact O-N 3.37Å; K32-T36 VanDerWaalsContact O-CB 3.31Å; K32-T36 WeakPolarHBondContact O-CB 3.33Å; K32-T36 PolarHBondContact O-N 3.39Å; K32-T36 PolarHBondContact O-OG1 2.71Å
33	T	69.8	Low	77.6	Confident	39 Å²	39	77.1 Å²	77.1	24%	0.239	39%	0.393	C	S	.	.	H	α-helix	trans	-63.8	-48.4	177.5	-59.9	0	0	0	0	111.7	L29 I30 Q31 E35 T36 N37	L29-T33 PolarHBondContact O-N 3.38Å; L29-T33 PolarHBondContact O-OG1 3.47Å; I30-T33 PolarHBondContact O-N 2.79Å; Q31-T33 VanDerWaalsContact C-N 3.34Å; Q31-T33 PolarHBondContact O-N 3.17Å; T33-E35 VanDerWaalsContact C-N 3.34Å; T33-E35 PolarHBondContact O-N 3.23Å; T33-T36 PolarHBondContact O-N 2.78Å; T33-N37 PolarHBondContact O-N 3.19Å; T33-N37 PolarHBondContact O-ND2 3.29Å
34	V	71.8	Confident	76.5	Confident	65 Å²	65	78.3 Å²	78.3	39%	0.394	40%	0.397	S	S	.	.	H	α-helix	trans	-58	-47.5	178.2	171.5	0	0	0	0	111	I30 Q31 N37 L38	I30-V34 WeakPolarHBondContact O-CG2 3.36Å; I30-V34 PolarHBondContact O-N 3.24Å; Q31-V34 PolarHBondContact O-N 3.26Å; V34-N37 PolarHBondContact O-N 2.96Å; V34-L38 HydrophobicContact CG1-CD1 4.02Å; V34-L38 VanDerWaalsContact O-CG 3.3Å; V34-L38 WeakPolarHBondContact O-CG 3.38Å; V34-L38 PolarHBondContact O-N 2.9Å
35	E	80.1	Confident	75.3	Confident	52 Å²	52	82.3 Å²	82.3	24%	0.243	42%	0.417	C	S	.	.	H	α-helix	trans	-67.2	-37.1	179.9	-71	174.3	-175	0	0	112.9	T21 K27 Q31 T33 N37 L38 I39	T21-E35 WeakPolarHBondContact CB-OE2 3.48Å; T21-E35 HydrophobicContact CG2-CB 3.58Å; T21-E35 HydrophobicContact CG2-CG 4.49Å; T21-E35 WeakPolarHBondContact CG2-OE2 3.47Å; T21-E35 PolarHBondContact OG1-OE2 3.36Å; K27-E35 WeakPolarHBondContact CD-OE2 3.34Å; K27-E35 VanDerWaalsContact CE-OE1 3.26Å; K27-E35 WeakPolarHBondContact CE-OE1 3.2Å; K27-E35 WeakPolarHBondContact CE-OE2 3.43Å; K27-E35 IonicContact NZ-OE1 2.79Å; K27-E35 PolarHBondContact NZ-OE1 3.37Å; K27-E35 IonicContact NZ-OE2 3.49Å; K27-E35 PolarHBondContact NZ-OE2 2.92Å; Q31-E35 WeakPolarHBondContact O-CB 3.42Å; Q31-E35 WeakPolarHBondContact O-CG 3.38Å; Q31-E35 PolarHBondContact O-N 2.95Å; T33-E35 VanDerWaalsContact C-N 3.34Å; T33-E35 PolarHBondContact O-N 3.23Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-N37 PolarHBondContact O-N 3.39Å; E35-L38 PolarHBondContact O-N 3.07Å; E35-I39 PolarHBondContact O-N 2.94Å
36	T	80.1	Confident	73.7	Confident	48 Å²	48	77.8 Å²	77.8	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-59.2	-46.3	173.1	-58.7	0	0	0	0	111	F17 K32 T33 I39 A40	F17-T36 HydrophobicContact CZ-CG2 3.84Å; F17-T36 WeakPolarHBondContact CZ-OG1 3.48Å; K32-T36 VanDerWaalsContact O-CB 3.31Å; K32-T36 WeakPolarHBondContact O-CB 3.33Å; K32-T36 PolarHBondContact O-N 3.39Å; K32-T36 PolarHBondContact O-OG1 2.71Å; T33-T36 PolarHBondContact O-N 2.78Å; T36-I39 PolarHBondContact O-N 2.83Å; T36-A40 WeakPolarHBondContact O-CB 3.06Å; T36-A40 PolarHBondContact O-N 3.35Å
37	N	70.5	Confident	72.1	Confident	16 Å²	16	73.4 Å²	73.4	9%	0.086	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-41.6	-179.7	-62.7	-31.2	0	0	0	111.6	T33 V34 E35 I39 A40 D41 P703 L706	T33-N37 PolarHBondContact O-N 3.19Å; T33-N37 PolarHBondContact O-ND2 3.29Å; V34-N37 PolarHBondContact O-N 2.96Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-N37 PolarHBondContact O-N 3.39Å; N37-I39 PolarHBondContact O-N 3.47Å; N37-A40 PolarHBondContact O-N 2.77Å; N37-A40 VanDerWaalsContact O-N 3.14Å; N37-D41 WeakPolarHBondContact O-CB 3.21Å; N37-D41 VanDerWaalsContact O-CG 3.24Å; N37-D41 PolarHBondContact O-N 2.78Å; N37-P703 HydrophobicContact CB-CG 4.06Å; N37-P703 VanDerWaalsContact ND2-CG 3.35Å; N37-P703 WeakPolarHBondContact ND2-CG 3.43Å; N37-P703 WeakPolarHBondContact OD1-CB 3.45Å; N37-P703 WeakPolarHBondContact OD1-CG 3.36Å; N37-L706 HydrophobicContact CB-CD1 4.27Å; N37-L706 WeakPolarHBondContact ND2-CD1 3.39Å
38	L	75.5	Confident	70.6	Confident	103 Å²	103	73.8 Å²	73.8	54%	0.539	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-33.7	175	-71.8	170.6	0	0	0	112.4	V34 E35 R42	V34-L38 HydrophobicContact CG1-CD1 4.02Å; V34-L38 VanDerWaalsContact O-CG 3.3Å; V34-L38 WeakPolarHBondContact O-CG 3.38Å; V34-L38 PolarHBondContact O-N 2.9Å; E35-L38 PolarHBondContact O-N 3.07Å; L38-R42 VanDerWaalsContact O-CB 3.26Å; L38-R42 WeakPolarHBondContact O-CB 3.45Å; L38-R42 PolarHBondContact O-N 2.62Å; L38-R42 VanDerWaalsContact O-N 3.16Å
39	I	76.7	Confident	69.5	Low	25 Å²	25	75.8 Å²	75.8	13%	0.128	39%	0.391	C	S	.	.	H	α-helix	trans	-77.2	-39.3	174.3	-83.3	-177.1	0	0	0	112.2	F17 E35 T36 N37 R42 W43	F17-I39 HydrophobicContact CB-CD1 3.6Å; F17-I39 HydrophobicContact CD2-CD1 3.4Å; F17-I39 HydrophobicContact CD2-CG1 4.45Å; F17-I39 HydrophobicContact CE2-CD1 4.22Å; F17-I39 HydrophobicContact CG-CD1 3.64Å; F17-I39 HydrophobicContact CG-CG2 4.46Å; E35-I39 PolarHBondContact O-N 2.94Å; T36-I39 PolarHBondContact O-N 2.83Å; N37-I39 PolarHBondContact O-N 3.47Å; I39-R42 WeakPolarHBondContact O-CB 3.32Å; I39-R42 PolarHBondContact O-N 2.91Å; I39-W43 HydrophobicContact CG2-CD2 3.83Å; I39-W43 HydrophobicContact CG2-CE3 4.02Å; I39-W43 HydrophobicContact CG2-CH2 3.75Å; I39-W43 HydrophobicContact CG2-CZ2 3.58Å; I39-W43 HydrophobicContact CG2-CZ3 3.98Å; I39-W43 PolarHBondContact O-N 2.74Å
40	A	71.5	Confident	67.9	Low	39 Å²	39	75.8 Å²	75.8	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-51	174.1	0	0	0	0	0	111	T36 N37 R42 W43 E44	T36-A40 WeakPolarHBondContact O-CB 3.06Å; T36-A40 PolarHBondContact O-N 3.35Å; N37-A40 PolarHBondContact O-N 2.77Å; N37-A40 VanDerWaalsContact O-N 3.14Å; A40-R42 VanDerWaalsContact C-N 3.26Å; A40-R42 PolarHBondContact O-N 2.94Å; A40-W43 CarbonylContact O-C 3.57Å; A40-W43 PolarHBondContact O-N 2.86Å; A40-E44 WeakPolarHBondContact O-CG 3.4Å; A40-E44 PolarHBondContact O-N 3.5Å
41	D	68.8	Low	66.2	Low	76 Å²	76	75 Å²	75	41%	0.406	39%	0.394	S	S	.	.	H	α-helix	trans	-56.6	-41.9	175.5	-67.9	-17	0	0	0	110.8	N37 W43 E44 L45	N37-D41 WeakPolarHBondContact O-CB 3.21Å; N37-D41 VanDerWaalsContact O-CG 3.24Å; N37-D41 PolarHBondContact O-N 2.78Å; D41-W43 PolarHBondContact O-N 2.95Å; D41-E44 PolarHBondContact O-N 2.77Å; D41-L45 VanDerWaalsContact O-CB 3.28Å; D41-L45 WeakPolarHBondContact O-CB 3.2Å; D41-L45 WeakPolarHBondContact O-CD1 3.28Å; D41-L45 VanDerWaalsContact O-CG 3.23Å; D41-L45 WeakPolarHBondContact O-CG 3.08Å; D41-L45 PolarHBondContact O-N 3.35Å
42	R	72	Confident	64.1	Low	135 Å²	135	76.7 Å²	76.7	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.3	-175.4	-170.8	-60.4	-176	2.8	111.9	L38 I39 A40 N46	L38-R42 VanDerWaalsContact O-CB 3.26Å; L38-R42 WeakPolarHBondContact O-CB 3.45Å; L38-R42 PolarHBondContact O-N 2.62Å; L38-R42 VanDerWaalsContact O-N 3.16Å; I39-R42 WeakPolarHBondContact O-CB 3.32Å; I39-R42 PolarHBondContact O-N 2.91Å; A40-R42 VanDerWaalsContact C-N 3.26Å; A40-R42 PolarHBondContact O-N 2.94Å; R42-N46 PolarHBondContact O-N 2.9Å
43	W	74.1	Confident	61.6	Low	76 Å²	76	82.2 Å²	82.2	29%	0.288	44%	0.444	S	S	.	.	H	α-helix	trans	-73.9	-31.2	179.3	-69	-14.9	0	0	0	112.9	I14 I39 A40 D41 N46 P47	I14-W43 HydrophobicContact CG1-CH2 3.65Å; I14-W43 HydrophobicContact CG1-CZ2 3.65Å; I39-W43 HydrophobicContact CG2-CD2 3.83Å; I39-W43 HydrophobicContact CG2-CE3 4.02Å; I39-W43 HydrophobicContact CG2-CH2 3.75Å; I39-W43 HydrophobicContact CG2-CZ2 3.58Å; I39-W43 HydrophobicContact CG2-CZ3 3.98Å; I39-W43 PolarHBondContact O-N 2.74Å; A40-W43 CarbonylContact O-C 3.57Å; A40-W43 PolarHBondContact O-N 2.86Å; D41-W43 PolarHBondContact O-N 2.95Å; W43-N46 CarbonylContact O-C 3.57Å; W43-P47 VanDerWaalsContact O-CA 3.24Å; W43-P47 WeakPolarHBondContact O-CA 3.43Å; W43-P47 VanDerWaalsContact O-N 3.1Å
44	E	65.4	Low	60	Low	128 Å²	128	84.7 Å²	84.7	60%	0.598	47%	0.469	S	S	*	.	H	α-helix	trans	-70.4	-42.6	173.5	-74.2	-165.6	162.4	0	0	111.8	A40 D41 N46	A40-E44 WeakPolarHBondContact O-CG 3.4Å; A40-E44 PolarHBondContact O-N 3.5Å; D41-E44 PolarHBondContact O-N 2.77Å; E44-N46 VanDerWaalsContact C-N 3.32Å
45	L	62.3	Low	58.1	Low	127 Å²	127	86.7 Å²	86.7	67%	0.665	49%	0.492	S	S	*	.	H	α-helix	trans	-70.5	-29.7	176.8	-71.9	164.4	0	0	0	112.3	D41	D41-L45 VanDerWaalsContact O-CB 3.28Å; D41-L45 WeakPolarHBondContact O-CB 3.2Å; D41-L45 WeakPolarHBondContact O-CD1 3.28Å; D41-L45 VanDerWaalsContact O-CG 3.23Å; D41-L45 WeakPolarHBondContact O-CG 3.08Å; D41-L45 PolarHBondContact O-N 3.35Å
46	N	57.1	Low	55.7	Low	92 Å²	92	94.4 Å²	94.4	49%	0.492	53%	0.525	S	S	.	.	S	Bend	trans	-135	78.7	178.9	-70.4	-70.3	0	0	0	111	R42 W43 E44 P48	R42-N46 PolarHBondContact O-N 2.9Å; W43-N46 CarbonylContact O-C 3.57Å; E44-N46 VanDerWaalsContact C-N 3.32Å; N46-P48 VanDerWaalsContact O-CD 3.31Å; N46-P48 WeakPolarHBondContact O-CD 3.48Å; N46-P48 VanDerWaalsContact O-N 3.17Å
47	P	57.9	Low	53.4	Low	61 Å²	61	99 Å²	99	40%	0.396	55%	0.548	S	S	.	.			trans	-61.7	121.5	178.3	22.2	-31.1	0	0	0	109.3	W43 M49 L50	W43-P47 VanDerWaalsContact O-CA 3.24Å; W43-P47 WeakPolarHBondContact O-CA 3.43Å; W43-P47 VanDerWaalsContact O-N 3.1Å; P47-M49 PolarHBondContact O-N 3.25Å; P47-L50 HydrophobicContact CB-CD1 4.49Å; P47-L50 HydrophobicContact CG-CB 4.33Å
48	P	52.8	Low	51.4	Low	53 Å²	53	100.9 Å²	100.9	34%	0.344	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	0.8	-170.1	18.9	-27.8	0	0	0	115	L10 N46	L10-P48 HydrophobicContact CD1-CB 3.83Å; L10-P48 HydrophobicContact CD1-CG 3.47Å; L10-P48 VanDerWaalsContact CD1-CG 3.47Å; L10-P48 HydrophobicContact CD2-CB 4.09Å; L10-P48 HydrophobicContact CD2-CG 3.79Å; L10-P48 HydrophobicContact CG-CB 4.38Å; L10-P48 HydrophobicContact CG-CG 4.22Å; N46-P48 VanDerWaalsContact O-CD 3.31Å; N46-P48 WeakPolarHBondContact O-CD 3.48Å; N46-P48 VanDerWaalsContact O-N 3.17Å
49	M	54.2	Low	49.2	Very low	97 Å²	97	101 Å²	101	48%	0.478	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.3	-3.9	-170.7	-72.4	-74.1	168	0	0	116.2	C7 L10 P47	C7-M49 VanDerWaalsContact SG-CE 3.51Å; L10-M49 HydrophobicContact CD2-CE 4.42Å; P47-M49 PolarHBondContact O-N 3.25Å
50	L	38.3	Very low	47.1	Very low	131 Å²	131	109.3 Å²	109.3	69%	0.686	62%	0.616	S	S	*	*			trans	-121.5	79.2	-170.5	-77.1	154.4	0	0	0	113.1	P47	P47-L50 HydrophobicContact CB-CD1 4.49Å; P47-L50 HydrophobicContact CG-CB 4.33Å
51	S	32.7	Very low	44.8	Very low	79 Å²	79	117.7 Å²	117.7	55%	0.552	65%	0.645	S	S	*	*			trans	-162.2	108.7	157.2	168.7	0	0	0	0	110
52	P	30.8	Very low	42.9	Very low	128 Å²	128	120.5 Å²	120.5	83%	0.831	67%	0.665	S	S	*	*			trans	-81.5	-1.5	177.8	-16	31.4	0	0	0	116.5
53	N	32.5	Very low	40.8	Very low	156 Å²	156	123.4 Å²	123.4	83%	0.834	68%	0.681	S	S	*	*			trans	-122.9	42.1	-162.9	-79.9	-11.6	0	0	0	116.7
54	A	34.9	Very low	38.3	Very low	91 Å²	91	125.9 Å²	125.9	75%	0.752	71%	0.708	S	S	*	*			trans	-130.3	83	169.3	0	0	0	0	0	111.4
55	A	32.2	Very low	36.4	Very low	108 Å²	108	125.8 Å²	125.8	89%	0.893	72%	0.719	S	S	*	*			trans	-81.2	117.8	167.6	0	0	0	0	0	109.4
56	F	29.5	Very low	34.7	Very low	213 Å²	213	127 Å²	127	93%	0.934	73%	0.731	S	S	*	*			trans	-95.5	106	170.1	-135.8	-92.4	0	0	0	107.6	G58	F56-G58 PolarHBondContact O-N 3.36Å
57	D	32.6	Very low	33.2	Very low	146 Å²	146	125.2 Å²	125.2	78%	0.781	73%	0.734	S	S	*	*			trans	-81	109.5	169.5	-178.4	14	0	0	0	109.2
58	G	28.9	Very low	31.7	Very low	55 Å²	55	133 Å²	133	57%	0.567	76%	0.758	S	S	*	*			trans	-85.5	124.4	167.5	0	0	0	0	0	109.8	F56	F56-G58 PolarHBondContact O-N 3.36Å
59	S	28.2	Very low	30.5	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	78%	0.777	S	S	*	*			trans	91	92.7	162.6	73.7	0	0	0	0	118.2
60	K	31.8	Very low	29.1	Very low	199 Å²	199	140.1 Å²	140.1	87%	0.865	80%	0.799	S	S	*	*				-173.6	123.5	129.8	-100.3	158.4	-170.7	-179.5	0	111.7	V62	K60-V62 PolarHBondContact O-N 2.83Å
61	K	24.8	Very low	28.6	Very low	215 Å²	215	137.7 Å²	137.7	94%	0.935	81%	0.806	S	S	*	*			trans	-68.2	109.1	163.2	-78.3	178.9	171.3	179.4	0	109.2
62	V	28.8	Very low	28.2	Very low	136 Å²	136	137.8 Å²	137.8	82%	0.824	82%	0.82	S	S	*	*			trans	-150	139.3	154.9	-174.9	0	0	0	0	109.6	K60	K60-V62 PolarHBondContact O-N 2.83Å
63	K	28	Very low	28	Very low	196 Å²	196	135.7 Å²	135.7	85%	0.852	82%	0.821	S	S	*	*			trans	-52.4	149.4	-176.8	-70.8	165.1	167.2	177.4	0	115.2
64	C	20.1	Very low	28.3	Very low	127 Å²	127	134.3 Å²	134.3	86%	0.858	81%	0.814	S	S	*	*			trans	-56	155.9	172.5	-55.7	0	0	0	0	114.5
65	P	26.1	Very low	28.7	Very low	127 Å²	127	136.6 Å²	136.6	83%	0.825	81%	0.813	S	S	*	*			trans	-117.8	145.6	135.9	16	2.6	0	0	0	113
66	V	26.8	Very low	30.4	Very low	151 Å²	151	135.3 Å²	135.3	92%	0.915	79%	0.789	S	S	*	*			trans	-70	157.9	178.1	175.2	0	0	0	0	112.9
67	G	25.1	Very low	32.3	Very low	55 Å²	55	129 Å²	129	57%	0.567	76%	0.759	S	S	*	*			trans	109.2	115.4	162.2	0	0	0	0	0	110.2
68	Y	26.6	Very low	34.4	Very low	225 Å²	225	126.4 Å²	126.4	88%	0.882	74%	0.742	S	S	*	*				-156.9	155.9	56.5	-67.3	-96.6	0	0	0	108
69	T	27.5	Very low	37	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	74%	0.741	S	S	*	*			cis	-164.2	141.4	-8.3	21.1	0	0	0	0	104.9
70	N	26	Very low	39.4	Very low	176 Å²	176	127.6 Å²	127.6	94%	0.941	72%	0.718	S	S	*	*			trans	-62.2	141.9	-177.2	-69.3	-32.4	0	0	0	113.5
71	G	26.6	Very low	41.8	Very low	80 Å²	80	121.8 Å²	121.8	83%	0.825	70%	0.696	S	S	*	*			trans	-156.9	55.4	168.8	0	0	0	0	0	112
72	G	24.6	Very low	44.5	Very low	82 Å²	82	111.6 Å²	111.6	85%	0.845	65%	0.652	S	S	*	*	S	Bend	trans	68.4	108.3	153	0	0	0	0	0	119.5
73	G	27.7	Very low	47.1	Very low	83 Å²	83	107.5 Å²	107.5	86%	0.856	63%	0.627	S	S	*	*			trans	148.7	-0.1	154.9	0	0	0	0	0	118.4
74	D	36.8	Very low	49.5	Very low	127 Å²	127	98.7 Å²	98.7	68%	0.679	59%	0.589	S	S	*	*			trans	-95	98.1	-174.1	-153	20.3	0	0	0	111
75	D	44.3	Very low	52.1	Low	140 Å²	140	97.5 Å²	97.5	75%	0.749	57%	0.571	S	S	*	*			trans	-143.9	5.6	179.2	-120.6	-7.8	0	0	0	117
76	H	67.8	Low	54.5	Low	81 Å²	81	95 Å²	95	38%	0.375	55%	0.547	S	S	.	.			trans	-148.8	62	-175.3	-66.7	-78.3	0	0	0	114.3	R176 V177 D179	H76-R176 CarbonylContact O-C 3.51Å; H76-R176 VanDerWaalsContact O-CA 3.32Å; H76-R176 WeakPolarHBondContact O-CA 2.83Å; H76-R176 WeakPolarHBondContact O-CG 3Å; H76-V177 HydrophobicContact CB-CB 4Å; H76-V177 PolarHBondContact O-N 2.93Å; H76-D179 IonicContact CE1-OD1 2.72Å; H76-D179 PolarHBondContact CE1-OD1 2.73Å; H76-D179 IonicContact CE1-OD2 3.43Å; H76-D179 PolarHBondContact CE1-OD2 3.15Å; H76-D179 IonicContact ND1-OD1 3.4Å; H76-D179 PolarHBondContact ND1-OD1 2.81Å; H76-D179 IonicContact ND1-OD2 3.51Å; H76-D179 PolarHBondContact ND1-OD2 2.84Å; H76-D179 IonicContact NE2-OD2 2.63Å
77	W	69.2	Low	56.7	Low	80 Å²	80	89.8 Å²	89.8	30%	0.303	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.5	171.5	-63	97.3	0	0	0	112.9	Y79 I132 R174 R175 R176	W77-Y79 HydrophobicContact CB-CE2 4.21Å; W77-I132 HydrophobicContact CH2-CD1 4.21Å; W77-I132 HydrophobicContact CZ3-CD1 4.14Å; W77-R174 HydrophobicContact CB-CG 3.97Å; W77-R174 HydrophobicContact CD2-CG 4.06Å; W77-R174 VanDerWaalsContact CD2-NE 3.26Å; W77-R174 HydrophobicContact CE3-CG 3.63Å; W77-R174 HydrophobicContact CG-CG 4.21Å; W77-R174 HydrophobicContact CZ3-CG 4.42Å; W77-R175 CarbonylContact C-O 3.51Å; W77-R175 VanDerWaalsContact CA-O 3.26Å; W77-R175 WeakPolarHBondContact CA-O 3.5Å; W77-R176 HydrophobicContact CD2-CB 4.38Å; W77-R176 HydrophobicContact CD2-CG 4.28Å; W77-R176 VanDerWaalsContact CE3-CA 3.5Å; W77-R176 HydrophobicContact CE3-CB 3.91Å; W77-R176 HydrophobicContact CE3-CG 4.3Å; W77-R176 HydrophobicContact CH2-CB 3.98Å; W77-R176 HydrophobicContact CH2-CG 4.15Å; W77-R176 HydrophobicContact CZ2-CB 4.42Å; W77-R176 HydrophobicContact CZ2-CG 4.1Å; W77-R176 HydrophobicContact CZ3-CB 3.72Å; W77-R176 HydrophobicContact CZ3-CG 4.27Å
78	E	76.6	Confident	58.9	Low	92 Å²	92	95 Å²	95	43%	0.43	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.5	171.5	-177.7	-178.4	-143.4	0	0	109.1	R174 R175 V177	E78-R174 CarbonylContact O-C 3.53Å; E78-R174 WeakPolarHBondContact O-CA 3.38Å; E78-R175 HydrophobicContact CB-CB 4.49Å; E78-R175 PolarHBondContact N-O 3.18Å; E78-R175 PolarHBondContact O-N 2.84Å; E78-R175 IonicContact OE2-NH1 3.5Å; E78-R175 PolarHBondContact OE2-NH1 3.45Å; E78-V177 HydrophobicContact CB-CG2 4.07Å
79	Y	83.6	Confident	60.8	Low	138 Å²	138	87.4 Å²	87.4	54%	0.541	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.7	177.1	-65.1	-102.1	0	0	0	109	W77 L134 I173 R174	W77-Y79 HydrophobicContact CB-CE2 4.21Å; Y79-L134 HydrophobicContact CD1-CD1 3.69Å; Y79-L134 HydrophobicContact CE1-CD1 3.52Å; Y79-I173 VanDerWaalsContact CA-O 3.31Å; Y79-I173 WeakPolarHBondContact CA-O 3.36Å; Y79-R174 HydrophobicContact CD1-CB 4.3Å; Y79-R174 HydrophobicContact CD1-CG 4.12Å; Y79-R174 HydrophobicContact CE1-CB 4.15Å; Y79-R174 HydrophobicContact CE1-CG 3.68Å; Y79-R174 HydrophobicContact CE2-CG 4.29Å; Y79-R174 WeakPolarHBondContact OH-CD 3.15Å
80	D	79.5	Confident	63.4	Low	46 Å²	46	82.6 Å²	82.6	25%	0.246	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.2	-178.8	-157.7	-2.5	0	0	0	111.5	I173	D80-I173 HydrophobicContact CB-CD1 4.1Å; D80-I173 HydrophobicContact CB-CG1 3.85Å; D80-I173 PolarHBondContact N-O 2.93Å; D80-I173 VanDerWaalsContact N-O 3.13Å; D80-I173 WeakPolarHBondContact O-CG1 3.31Å; D80-I173 PolarHBondContact O-N 3.27Å
81	D	80.7	Confident	66.2	Low	77 Å²	77	75.1 Å²	75.1	41%	0.412	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.6	179	-74.8	2.8	0	0	0	108.7	R126 H172	D81-R126 PolarHBondContact O-NH1 3.04Å; D81-H172 VanDerWaalsContact CG-CE1 3.48Å; D81-H172 IonicContact OD1-CE1 3.37Å; D81-H172 PolarHBondContact OD1-CE1 3.22Å; D81-H172 IonicContact OD1-CG 3.03Å; D81-H172 IonicContact OD1-ND1 3.82Å; D81-H172 PolarHBondContact OD1-ND1 3.43Å; D81-H172 IonicContact OD2-CE1 3.5Å; D81-H172 PolarHBondContact OD2-CE1 2.78Å; D81-H172 IonicContact OD2-ND1 3.11Å
82	I	82.7	Confident	69.1	Low	1 Å²	1	71.4 Å²	71.4	1%	0.005	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.7	-175.3	-55.1	-179	0	0	0	109.7	L84 R126 L127 F171 I173	I82-L84 HydrophobicContact CG2-CD1 4.4Å; I82-L84 HydrophobicContact CG2-CD2 3.74Å; I82-L84 HydrophobicContact CG2-CG 3.73Å; I82-R126 HydrophobicContact CD1-CB 3.77Å; I82-R126 HydrophobicContact CG1-CB 4.11Å; I82-L127 HydrophobicContact CD1-CB 3.92Å; I82-L127 HydrophobicContact CD1-CD1 3.83Å; I82-F171 PolarHBondContact N-O 2.88Å; I82-F171 WeakPolarHBondContact O-CD2 3.41Å; I82-F171 PolarHBondContact O-N 2.96Å; I82-I173 HydrophobicContact CD1-CD1 3.48Å; I82-I173 VanDerWaalsContact CD1-CD1 3.48Å; I82-I173 HydrophobicContact CD1-CG1 4Å; I82-I173 HydrophobicContact CG1-CD1 4.32Å; I82-I173 HydrophobicContact CG1-CG1 4.38Å
83	V	82.8	Confident	72.2	Confident	50 Å²	50	68.8 Å²	68.8	30%	0.303	39%	0.391	S	S	.	.			trans	-114.3	113.5	170.8	-176.5	0	0	0	0	106.6	R126 V160 T170	V83-R126 PolarHBondContact O-NH2 3.36Å; V83-V160 HydrophobicContact CG1-CG2 3.5Å; V83-V160 VanDerWaalsContact CG1-CG2 3.5Å; V83-T170 HydrophobicContact CG2-CG2 3.37Å
84	L	77.6	Confident	75.3	Confident	11 Å²	11	67 Å²	67	6%	0.058	37%	0.366	C	S	.	.			trans	-112.1	138.4	176.5	-61.6	174.4	0	0	0	109.8	I82 L91 F93 A121 D124 L127 F171	I82-L84 HydrophobicContact CG2-CD1 4.4Å; I82-L84 HydrophobicContact CG2-CD2 3.74Å; I82-L84 HydrophobicContact CG2-CG 3.73Å; L84-L91 HydrophobicContact CB-CD2 3.98Å; L84-F93 HydrophobicContact CD1-CD1 4.06Å; L84-F93 HydrophobicContact CD1-CE1 3.75Å; L84-A121 HydrophobicContact CD1-CB 3.75Å; L84-A121 HydrophobicContact CD2-CB 4.45Å; L84-D124 HydrophobicContact CD2-CB 3.33Å; L84-L127 HydrophobicContact CD1-CD2 4.5Å; L84-F171 HydrophobicContact CB-CE2 4.08Å; L84-F171 HydrophobicContact CD1-CE2 4.27Å; L84-F171 HydrophobicContact CG-CE2 4.2Å
85	E	75.7	Confident	77.9	Confident	102 Å²	102	62.3 Å²	62.3	48%	0.477	34%	0.34	S	S	.	.			trans	-92.6	128.4	168	-61.2	-167.7	159.1	0	0	110.2	G87 A120 N158 V159	E85-G87 PolarHBondContact O-N 3.05Å; E85-G87 VanDerWaalsContact O-N 3.14Å; E85-A120 WeakPolarHBondContact O-CB 3.48Å; E85-N158 WeakPolarHBondContact CA-O 3.41Å; E85-N158 WeakPolarHBondContact CB-O 3.38Å; E85-V159 HydrophobicContact CB-CG2 4.01Å; E85-V159 HydrophobicContact CG-CB 4.33Å; E85-V159 HydrophobicContact CG-CG2 3.71Å; E85-V159 WeakPolarHBondContact OE1-CG1 3.31Å; E85-V159 WeakPolarHBondContact OE1-CG2 3.41Å
86	K	76.6	Confident	80.1	Confident	76 Å²	76	56.5 Å²	56.5	33%	0.33	31%	0.31	S	S	.	.			trans	-60.2	121.4	178.1	-89.6	-173.1	173.2	171.4	0	110.2	L91 N158	K86-L91 HydrophobicContact CG-CD2 3.6Å; K86-L91 HydrophobicContact CG-CG 3.8Å; K86-N158 WeakPolarHBondContact CB-OD1 3.3Å; K86-N158 WeakPolarHBondContact CD-OD1 3.4Å
87	G	72.9	Confident	81.1	Confident	41 Å²	41	52.7 Å²	52.7	42%	0.423	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-80.7	-172.1	167.1	0	0	0	0	0	111.6	E85 A89 G90	E85-G87 PolarHBondContact O-N 3.05Å; E85-G87 VanDerWaalsContact O-N 3.14Å; G87-A89 PolarHBondContact O-N 3.33Å; G87-G90 PolarHBondContact N-O 3.28Å; G87-G90 PolarHBondContact O-N 3.05Å
88	T	71.9	Confident	82.1	Confident	164 Å²	164	48.9 Å²	48.9	100%	1.006	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.8	176.7	51.1	0	0	0	0	113.2
89	A	66.3	Low	82.6	Confident	66 Å²	66	51.9 Å²	51.9	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	21.1	176.2	0	0	0	0	0	113.6	G87	G87-A89 PolarHBondContact O-N 3.33Å
90	G	80.5	Confident	82.9	Confident	22 Å²	22	49.1 Å²	49.1	23%	0.227	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	78.4	-148	-174.8	0	0	0	0	0	112.7	G87 G92	G87-G90 PolarHBondContact N-O 3.28Å; G87-G90 PolarHBondContact O-N 3.05Å; G90-G92 PolarHBondContact O-N 3.42Å
91	L	84.9	Confident	83	Confident	18 Å²	18	51.7 Å²	51.7	9%	0.094	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.5	-176.7	-64.7	170.8	0	0	0	113	L84 K86 F93 A121 L153 F171	L84-L91 HydrophobicContact CB-CD2 3.98Å; K86-L91 HydrophobicContact CG-CD2 3.6Å; K86-L91 HydrophobicContact CG-CG 3.8Å; L91-F93 HydrophobicContact CB-CD1 3.88Å; L91-F93 HydrophobicContact CB-CE1 3.56Å; L91-F93 HydrophobicContact CD1-CE1 4.05Å; L91-F93 HydrophobicContact CD1-CZ 4.33Å; L91-F93 HydrophobicContact CG-CE1 4.4Å; L91-A121 VanDerWaalsContact O-CB 3.26Å; L91-A121 WeakPolarHBondContact O-CB 3.34Å; L91-A121 PolarHBondContact O-N 3.48Å; L91-L153 HydrophobicContact CD1-CB 4.46Å; L91-L153 HydrophobicContact CD1-CD2 4.05Å; L91-F171 HydrophobicContact CD1-CZ 4.21Å; L91-F171 HydrophobicContact CD2-CZ 4.36Å
92	G	87.3	Confident	83.2	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	78.5	28.2	172.6	0	0	0	0	0	115.8	G90 I116	G90-G92 PolarHBondContact O-N 3.42Å; G92-I116 WeakPolarHBondContact O-CB 3.37Å; G92-I116 PolarHBondContact O-N 3Å
93	F	91	Very high	83.3	Confident	26 Å²	26	54.3 Å²	54.3	11%	0.114	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	164.4	171.4	66.7	-86.6	0	0	0	111.3	L84 L91 I95 V112 K114 V115 A121 L127 I133 L153	L84-F93 HydrophobicContact CD1-CD1 4.06Å; L84-F93 HydrophobicContact CD1-CE1 3.75Å; L91-F93 HydrophobicContact CB-CD1 3.88Å; L91-F93 HydrophobicContact CB-CE1 3.56Å; L91-F93 HydrophobicContact CD1-CE1 4.05Å; L91-F93 HydrophobicContact CD1-CZ 4.33Å; L91-F93 HydrophobicContact CG-CE1 4.4Å; F93-I95 HydrophobicContact CD2-CG2 3.86Å; F93-I95 HydrophobicContact CE2-CG2 3.58Å; F93-V112 HydrophobicContact CB-CG1 4.22Å; F93-V112 HydrophobicContact CD2-CG1 4.27Å; F93-V112 HydrophobicContact CD2-CG2 4.24Å; F93-K114 CarbonylContact C-O 3.47Å; F93-K114 WeakPolarHBondContact CA-O 3.26Å; F93-K114 VanDerWaalsContact CB-O 3.29Å; F93-K114 WeakPolarHBondContact CB-O 3.37Å; F93-V115 HydrophobicContact CB-CG2 4.45Å; F93-A121 HydrophobicContact CB-CB 4.15Å; F93-A121 HydrophobicContact CD1-CB 3.82Å; F93-A121 HydrophobicContact CG-CB 4.43Å; F93-L127 HydrophobicContact CB-CD2 3.74Å; F93-L127 HydrophobicContact CD1-CD2 3.4Å; F93-L127 HydrophobicContact CD2-CD2 3.75Å; F93-L127 HydrophobicContact CE1-CD2 3.8Å; F93-L127 HydrophobicContact CE2-CD2 4.15Å; F93-L127 HydrophobicContact CG-CD2 3.34Å; F93-L127 HydrophobicContact CZ-CD2 4.15Å; F93-I133 HydrophobicContact CE2-CD1 3.68Å; F93-I133 HydrophobicContact CZ-CD1 4.24Å; F93-L153 HydrophobicContact CE2-CD1 3.95Å; F93-L153 HydrophobicContact CE2-CD2 4.36Å; F93-L153 HydrophobicContact CZ-CD1 4.08Å; F93-L153 HydrophobicContact CZ-CD2 3.71Å
94	S	91.5	Very high	83.2	Confident	47 Å²	47	55.5 Å²	55.5	33%	0.329	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.3	176.8	-56	0	0	0	0	109.7	V112 T113 K114	S94-V112 CarbonylContact O-C 3.48Å; S94-V112 WeakPolarHBondContact O-CA 3.48Å; S94-T113 WeakPolarHBondContact CB-OG1 3.41Å; S94-T113 PolarHBondContact O-N 3.35Å; S94-T113 PolarHBondContact O-OG1 3.21Å; S94-K114 PolarHBondContact N-O 3.36Å
95	I	91.9	Very high	83.4	Confident	27 Å²	27	58.1 Å²	58.1	14%	0.138	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.3	175.8	58.1	161.2	0	0	0	111	F93 I110 Y111 I133 H146 A149 V150 L153	F93-I95 HydrophobicContact CD2-CG2 3.86Å; F93-I95 HydrophobicContact CE2-CG2 3.58Å; I95-I110 HydrophobicContact CB-CG2 3.87Å; I95-I110 HydrophobicContact CD1-CG2 3.74Å; I95-I110 HydrophobicContact CG1-CG2 4.4Å; I95-I110 HydrophobicContact CG2-CG2 4.11Å; I95-Y111 CarbonylContact C-O 3.57Å; I95-Y111 WeakPolarHBondContact CA-O 3.27Å; I95-I133 HydrophobicContact CG2-CD1 3.51Å; I95-H146 PolarHBondContact O-CE1 2.91Å; I95-A149 HydrophobicContact CD1-CB 3.92Å; I95-V150 HydrophobicContact CD1-CG2 3.85Å; I95-V150 HydrophobicContact CG1-CG2 4.38Å; I95-L153 HydrophobicContact CD1-CD1 3.73Å; I95-L153 HydrophobicContact CG1-CD1 4.23Å; I95-L153 HydrophobicContact CG2-CD1 4.02Å
96	S	90.1	Very high	83.5	Confident	19 Å²	19	60.9 Å²	60.9	13%	0.133	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	178	166.3	63.6	0	0	0	0	108.5	H103 I110 Y111 T113	S96-H103 VanDerWaalsContact OG-CB 3.27Å; S96-H103 WeakPolarHBondContact OG-CB 3.21Å; S96-H103 PolarHBondContact OG-CD2 3.19Å; S96-H103 PolarHBondContact OG-CE1 3.01Å; S96-H103 PolarHBondContact OG-ND1 2.65Å; S96-H103 PolarHBondContact OG-NE2 3.19Å; S96-I110 CarbonylContact O-C 3.44Å; S96-I110 WeakPolarHBondContact O-CA 3.32Å; S96-Y111 PolarHBondContact N-O 3.3Å; S96-Y111 PolarHBondContact O-N 2.78Å; S96-T113 WeakPolarHBondContact OG-CG2 3.4Å
97	G	90.2	Very high	83.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92	-178.2	-178.2	0	0	0	0	0	111.6	N101 S109 I110 H146	G97-N101 CarbonylContact C-O 3.58Å; G97-N101 VanDerWaalsContact C-O 3.29Å; G97-N101 WeakPolarHBondContact CA-O 3.29Å; G97-N101 PolarHBondContact N-O 2.92Å; G97-S109 WeakPolarHBondContact CA-O 3.14Å; G97-I110 WeakPolarHBondContact O-CD1 3.47Å; G97-H146 VanDerWaalsContact O-CB 3.23Å; G97-H146 WeakPolarHBondContact O-CB 3.33Å; G97-H146 PolarHBondContact O-ND1 3.22Å
98	G	89.1	Confident	84.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.351	C	S	.	.			trans	116.7	158.9	-168.4	0	0	0	0	0	110.3	D100 N101 P102 P108 S109 V144	G98-D100 PolarHBondContact O-N 2.85Å; G98-N101 CarbonylContact O-C 3.5Å; G98-N101 VanDerWaalsContact O-C 3.23Å; G98-N101 PolarHBondContact O-N 3.14Å; G98-N101 VanDerWaalsContact O-N 3.12Å; G98-P102 WeakPolarHBondContact O-CA 3.47Å; G98-P102 VanDerWaalsContact O-N 3.12Å; G98-P108 VanDerWaalsContact CA-O 3.26Å; G98-P108 WeakPolarHBondContact CA-O 3.42Å; G98-P108 PolarHBondContact N-O 2.96Å; G98-S109 PolarHBondContact N-O 3.38Å; G98-V144 CarbonylContact C-O 3.59Å; G98-V144 WeakPolarHBondContact CA-O 3.43Å
99	R	88.4	Confident	85.5	Confident	155 Å²	155	52.5 Å²	52.5	59%	0.585	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.8	-175.8	-172.4	178.3	175.6	147.8	-4.9	113.7	P108 D143 V144	R99-P108 HydrophobicContact CB-CB 4.26Å; R99-D143 WeakPolarHBondContact CD-OD1 3.26Å; R99-D143 IonicContact CZ-OD2 2.63Å; R99-D143 IonicContact NH1-OD1 3.72Å; R99-D143 IonicContact NH1-OD2 2.99Å; R99-D143 PolarHBondContact NH1-OD2 3.25Å; R99-V144 PolarHBondContact N-O 2.85Å
100	D	89.5	Confident	86.8	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-22.9	177.4	56.8	-26.3	0	0	0	114	G98 F145 H146	G98-D100 PolarHBondContact O-N 2.85Å; D100-F145 HydrophobicContact CB-CD1 3.53Å; D100-F145 HydrophobicContact CB-CE1 3.93Å; D100-F145 HydrophobicContact CB-CG 4.25Å; D100-F145 WeakPolarHBondContact OD1-CA 3.46Å; D100-H146 PolarHBondContact OD1-N 2.77Å
101	N	81.5	Confident	87.4	Confident	101 Å²	101	49.2 Å²	49.2	54%	0.54	28%	0.276	S	S	.	.	S	Bend	trans	-146.8	70.7	179.8	-169.3	18.5	0	0	0	111.6	G97 G98 H103	G97-N101 CarbonylContact C-O 3.58Å; G97-N101 VanDerWaalsContact C-O 3.29Å; G97-N101 WeakPolarHBondContact CA-O 3.29Å; G97-N101 PolarHBondContact N-O 2.92Å; G98-N101 CarbonylContact O-C 3.5Å; G98-N101 VanDerWaalsContact O-C 3.23Å; G98-N101 PolarHBondContact O-N 3.14Å; G98-N101 VanDerWaalsContact O-N 3.12Å; N101-H103 PolarHBondContact O-N 3.37Å
102	P	85.1	Confident	87.7	Confident	49 Å²	49	48.4 Å²	48.4	32%	0.318	27%	0.272	S	S	.	.			trans	-55.5	131	-177.6	-25.1	34.5	0	0	0	111.6	G98 G105	G98-P102 WeakPolarHBondContact O-CA 3.47Å; G98-P102 VanDerWaalsContact O-N 3.12Å; P102-G105 WeakPolarHBondContact CB-O 3.41Å
103	H	85.4	Confident	87.8	Confident	83 Å²	83	50 Å²	50	38%	0.384	28%	0.281	S	S	.	.	S	Bend	trans	-81.9	-32.4	179.5	-172.1	51	0	0	0	112.6	S96 N101 Y111	S96-H103 VanDerWaalsContact OG-CB 3.27Å; S96-H103 WeakPolarHBondContact OG-CB 3.21Å; S96-H103 PolarHBondContact OG-CD2 3.19Å; S96-H103 PolarHBondContact OG-CE1 3.01Å; S96-H103 PolarHBondContact OG-ND1 2.65Å; S96-H103 PolarHBondContact OG-NE2 3.19Å; N101-H103 PolarHBondContact O-N 3.37Å; H103-Y111 HydrophobicContact CB-CD2 3.7Å; H103-Y111 HydrophobicContact CB-CE2 4.31Å; H103-Y111 HydrophobicContact CB-CG 4.35Å; H103-Y111 AromaticContact CD2-CG 3.9Å
104	V	80.4	Confident	87.8	Confident	76 Å²	76	54.7 Å²	54.7	46%	0.461	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-127	100.7	-176.2	-178	0	0	0	0	108.7	N106 D107 Y111	V104-N106 PolarHBondContact O-N 2.91Å; V104-D107 HydrophobicContact CB-CB 4.44Å; V104-D107 WeakPolarHBondContact O-CB 3.46Å; V104-D107 PolarHBondContact O-N 3.34Å; V104-Y111 HydrophobicContact CB-CE2 4.16Å; V104-Y111 HydrophobicContact CG2-CD1 4.48Å; V104-Y111 HydrophobicContact CG2-CD2 4.31Å; V104-Y111 HydrophobicContact CG2-CE1 4.02Å; V104-Y111 HydrophobicContact CG2-CE2 3.83Å
105	G	81.4	Confident	87.6	Confident	66 Å²	66	54 Å²	54	68%	0.68	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-122.2	179.3	0	0	0	0	0	112.2	P102	P102-G105 WeakPolarHBondContact CB-O 3.41Å
106	N	78.3	Confident	87.2	Confident	159 Å²	159	55.6 Å²	55.6	85%	0.85	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	17.6	172.7	-74	-1.4	0	0	0	112.5	V104 P108	V104-N106 PolarHBondContact O-N 2.91Å; N106-P108 VanDerWaalsContact O-CD 3.31Å; N106-P108 WeakPolarHBondContact O-CD 3.41Å
107	D	85.2	Confident	87	Confident	49 Å²	49	60.1 Å²	60.1	26%	0.262	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-75.2	114.4	177.8	-167.3	-26.2	0	0	0	110.2	V104 S109 Y111	V104-D107 HydrophobicContact CB-CB 4.44Å; V104-D107 WeakPolarHBondContact O-CB 3.46Å; V104-D107 PolarHBondContact O-N 3.34Å; D107-S109 PolarHBondContact O-N 2.96Å; D107-S109 WeakPolarHBondContact OD1-CB 3.41Å; D107-S109 PolarHBondContact OD1-N 3.49Å; D107-S109 PolarHBondContact OD1-OG 3.43Å; D107-Y111 VanDerWaalsContact CG-OH 3.28Å; D107-Y111 PolarHBondContact OD2-OH 3.03Å
108	P	87.4	Confident	86.7	Confident	37 Å²	37	64.1 Å²	64.1	24%	0.24	37%	0.374	C	S	.	.			trans	-78.8	3.3	-178.1	35.8	-37.5	0	0	0	113	G98 R99 N106 D143	G98-P108 VanDerWaalsContact CA-O 3.26Å; G98-P108 WeakPolarHBondContact CA-O 3.42Å; G98-P108 PolarHBondContact N-O 2.96Å; R99-P108 HydrophobicContact CB-CB 4.26Å; N106-P108 VanDerWaalsContact O-CD 3.31Å; N106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-D143 WeakPolarHBondContact CB-OD1 3.17Å; P108-D143 HydrophobicContact CG-CB 4.36Å
109	S	90.4	Very high	86.5	Confident	19 Å²	19	64.4 Å²	64.4	13%	0.133	38%	0.377	C	S	.	.			trans	-60.1	148.4	178.7	-65.2	0	0	0	0	112.8	G97 G98 D107 Y111	G97-S109 WeakPolarHBondContact CA-O 3.14Å; G98-S109 PolarHBondContact N-O 3.38Å; D107-S109 PolarHBondContact O-N 2.96Å; D107-S109 WeakPolarHBondContact OD1-CB 3.41Å; D107-S109 PolarHBondContact OD1-N 3.49Å; D107-S109 PolarHBondContact OD1-OG 3.43Å; S109-Y111 VanDerWaalsContact O-CD2 3.24Å; S109-Y111 WeakPolarHBondContact O-CD2 2.87Å; S109-Y111 WeakPolarHBondContact O-CE2 3.44Å
110	I	92.8	Very high	86.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.6	174.9	-56.2	-64.7	0	0	0	109.2	I95 S96 G97 I132 I133 V144 A149	I95-I110 HydrophobicContact CB-CG2 3.87Å; I95-I110 HydrophobicContact CD1-CG2 3.74Å; I95-I110 HydrophobicContact CG1-CG2 4.4Å; I95-I110 HydrophobicContact CG2-CG2 4.11Å; S96-I110 CarbonylContact O-C 3.44Å; S96-I110 WeakPolarHBondContact O-CA 3.32Å; G97-I110 WeakPolarHBondContact O-CD1 3.47Å; I110-I132 CarbonylContact O-C 3.45Å; I110-I132 WeakPolarHBondContact O-CA 3.5Å; I110-I133 HydrophobicContact CB-CB 4.4Å; I110-I133 HydrophobicContact CG2-CB 4.31Å; I110-I133 HydrophobicContact CG2-CD1 4.37Å; I110-I133 PolarHBondContact O-N 2.8Å; I110-V144 HydrophobicContact CD1-CG2 4.35Å; I110-V144 HydrophobicContact CG1-CG2 4.31Å; I110-A149 HydrophobicContact CB-CB 4.36Å; I110-A149 HydrophobicContact CD1-CB 3.53Å; I110-A149 HydrophobicContact CG1-CB 3.56Å; I110-A149 HydrophobicContact CG2-CB 3.97Å
111	Y	93.3	Very high	86.2	Confident	20 Å²	20	54 Å²	54	8%	0.078	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.4	-177.9	-69.1	-95.4	0	0	0	111.9	I95 S96 H103 V104 D107 S109 T113 D131 I132	I95-Y111 CarbonylContact C-O 3.57Å; I95-Y111 WeakPolarHBondContact CA-O 3.27Å; S96-Y111 PolarHBondContact N-O 3.3Å; S96-Y111 PolarHBondContact O-N 2.78Å; H103-Y111 HydrophobicContact CB-CD2 3.7Å; H103-Y111 HydrophobicContact CB-CE2 4.31Å; H103-Y111 HydrophobicContact CB-CG 4.35Å; H103-Y111 AromaticContact CD2-CG 3.9Å; V104-Y111 HydrophobicContact CB-CE2 4.16Å; V104-Y111 HydrophobicContact CG2-CD1 4.48Å; V104-Y111 HydrophobicContact CG2-CD2 4.31Å; V104-Y111 HydrophobicContact CG2-CE1 4.02Å; V104-Y111 HydrophobicContact CG2-CE2 3.83Å; D107-Y111 VanDerWaalsContact CG-OH 3.28Å; D107-Y111 PolarHBondContact OD2-OH 3.03Å; S109-Y111 VanDerWaalsContact O-CD2 3.24Å; S109-Y111 WeakPolarHBondContact O-CD2 2.87Å; S109-Y111 WeakPolarHBondContact O-CE2 3.44Å; Y111-T113 PolarHBondContact O-N 3.46Å; Y111-D131 CarbonylContact C-O 3.48Å; Y111-D131 WeakPolarHBondContact CA-O 3.36Å; Y111-I132 HydrophobicContact CD1-CD1 4.43Å; Y111-I132 HydrophobicContact CD1-CG1 3.61Å; Y111-I132 HydrophobicContact CE1-CD1 3.66Å; Y111-I132 HydrophobicContact CE1-CG1 3.34Å; Y111-I132 HydrophobicContact CG-CG1 4.32Å
112	V	90.7	Very high	86.5	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.1	165.6	179.8	0	0	0	0	109.1	F93 S94 V115 L127 K129 D130 D131 I133	F93-V112 HydrophobicContact CB-CG1 4.22Å; F93-V112 HydrophobicContact CD2-CG1 4.27Å; F93-V112 HydrophobicContact CD2-CG2 4.24Å; S94-V112 CarbonylContact O-C 3.48Å; S94-V112 WeakPolarHBondContact O-CA 3.48Å; V112-V115 HydrophobicContact CG1-CG2 3.93Å; V112-L127 HydrophobicContact CG1-CD2 4.17Å; V112-L127 HydrophobicContact CG1-CG 4.33Å; V112-L127 HydrophobicContact CG2-CD1 3.91Å; V112-L127 HydrophobicContact CG2-CD2 4.08Å; V112-L127 HydrophobicContact CG2-CG 4.09Å; V112-K129 WeakPolarHBondContact O-CA 3.3Å; V112-D130 PolarHBondContact O-N 3.21Å; V112-D131 HydrophobicContact CG2-CB 4.3Å; V112-D131 PolarHBondContact N-O 3.36Å; V112-I133 HydrophobicContact CG2-CD1 4.05Å; V112-I133 HydrophobicContact CG2-CG1 3.98Å
113	T	90.9	Very high	86.5	Confident	38 Å²	38	52.9 Å²	52.9	23%	0.233	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-27.8	-178.6	50.4	0	0	0	0	113.8	S94 S96 Y111 K129	S94-T113 WeakPolarHBondContact CB-OG1 3.41Å; S94-T113 PolarHBondContact O-N 3.35Å; S94-T113 PolarHBondContact O-OG1 3.21Å; S96-T113 WeakPolarHBondContact OG-CG2 3.4Å; Y111-T113 PolarHBondContact O-N 3.46Å; T113-K129 WeakPolarHBondContact O-CG 3.42Å
114	K	89.7	Confident	86.6	Confident	123 Å²	123	51.6 Å²	51.6	54%	0.535	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	134.8	-176.7	-171.2	174.1	-178.1	175.8	0	110	F93 S94	F93-K114 CarbonylContact C-O 3.47Å; F93-K114 WeakPolarHBondContact CA-O 3.26Å; F93-K114 VanDerWaalsContact CB-O 3.29Å; F93-K114 WeakPolarHBondContact CB-O 3.37Å; S94-K114 PolarHBondContact N-O 3.36Å
115	V	87.1	Confident	86.9	Confident	34 Å²	34	50.3 Å²	50.3	21%	0.206	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.8	163.6	-178	0	0	0	0	106.4	F93 V112 P117 A121 A122	F93-V115 HydrophobicContact CB-CG2 4.45Å; V112-V115 HydrophobicContact CG1-CG2 3.93Å; V115-P117 WeakPolarHBondContact O-CD 3.26Å; V115-A121 HydrophobicContact CG1-CB 3.92Å; V115-A122 HydrophobicContact CG1-CB 3.95Å
116	I	84.4	Confident	87.2	Confident	60 Å²	60	51.2 Å²	51.2	31%	0.308	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-80.1	116.5	-172.5	-58.5	175.4	0	0	0	108.4	G92 G118 G119 A122	G92-I116 WeakPolarHBondContact O-CB 3.37Å; G92-I116 PolarHBondContact O-N 3Å; I116-G118 PolarHBondContact O-N 2.9Å; I116-G119 PolarHBondContact O-N 3.43Å; I116-A122 WeakPolarHBondContact O-CB 3.12Å
117	P	85.9	Confident	87.7	Confident	113 Å²	113	44.1 Å²	44.1	73%	0.734	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	133.5	176.6	-24.6	34.8	0	0	0	111.6	V115 G119	V115-P117 WeakPolarHBondContact O-CD 3.26Å; P117-G119 PolarHBondContact O-N 2.89Å
118	G	83.7	Confident	87.9	Confident	85 Å²	85	48.1 Å²	48.1	88%	0.876	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-5.3	-175.5	0	0	0	0	0	115.4	I116	I116-G118 PolarHBondContact O-N 2.9Å
119	G	84.2	Confident	87.9	Confident	6 Å²	6	52.3 Å²	52.3	6%	0.062	31%	0.312	C	S	.	.	S	Bend	trans	-79.8	170.7	171.4	0	0	0	0	0	112.9	I116 P117 A121 A122 A123	I116-G119 PolarHBondContact O-N 3.43Å; P117-G119 PolarHBondContact O-N 2.89Å; G119-A121 PolarHBondContact O-N 3.2Å; G119-A122 PolarHBondContact O-N 3.29Å; G119-A122 VanDerWaalsContact O-N 3.14Å; G119-A123 PolarHBondContact O-N 2.86Å
120	A	85.1	Confident	87.8	Confident	16 Å²	16	55 Å²	55	13%	0.132	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-43.6	-177	0	0	0	0	0	114.3	E85 A122 A123 D124	E85-A120 WeakPolarHBondContact O-CB 3.48Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-A122 PolarHBondContact O-N 3.42Å; A120-A123 PolarHBondContact O-N 2.85Å; A120-D124 PolarHBondContact O-N 2.87Å
121	A	87.9	Confident	87.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-37.8	175.6	0	0	0	0	0	113	L84 L91 F93 V115 G119 A123 G125 L127	L84-A121 HydrophobicContact CD1-CB 3.75Å; L84-A121 HydrophobicContact CD2-CB 4.45Å; L91-A121 VanDerWaalsContact O-CB 3.26Å; L91-A121 WeakPolarHBondContact O-CB 3.34Å; L91-A121 PolarHBondContact O-N 3.48Å; F93-A121 HydrophobicContact CB-CB 4.15Å; F93-A121 HydrophobicContact CD1-CB 3.82Å; F93-A121 HydrophobicContact CG-CB 4.43Å; V115-A121 HydrophobicContact CG1-CB 3.92Å; G119-A121 PolarHBondContact O-N 3.2Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A121-G125 PolarHBondContact O-N 3.34Å; A121-L127 HydrophobicContact CB-CB 4.35Å; A121-L127 HydrophobicContact CB-CD2 3.96Å
122	A	86.9	Confident	87.6	Confident	38 Å²	38	54.2 Å²	54.2	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-68.4	-34.4	174.7	0	0	0	0	0	112	V115 I116 G119 A120	V115-A122 HydrophobicContact CG1-CB 3.95Å; I116-A122 WeakPolarHBondContact O-CB 3.12Å; G119-A122 PolarHBondContact O-N 3.29Å; G119-A122 VanDerWaalsContact O-N 3.14Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-A122 PolarHBondContact O-N 3.42Å
123	A	85.9	Confident	87.6	Confident	88 Å²	88	54.4 Å²	54.4	73%	0.727	32%	0.323	S	S	*	.	H	α-helix	trans	-71.9	-36.9	177.5	0	0	0	0	0	112.9	G119 A120 A121	G119-A123 PolarHBondContact O-N 2.86Å; A120-A123 PolarHBondContact O-N 2.85Å; A121-A123 VanDerWaalsContact C-N 3.34Å
124	D	87.3	Confident	87.5	Confident	57 Å²	57	54.2 Å²	54.2	31%	0.305	32%	0.321	S	S	.	.	H	α-helix	trans	-71.1	-38.3	172.2	179.4	-84.2	0	0	0	111.8	L84 A120 R126	L84-D124 HydrophobicContact CD2-CB 3.33Å; A120-D124 PolarHBondContact O-N 2.87Å; D124-R126 VanDerWaalsContact C-N 3.26Å; D124-R126 PolarHBondContact O-N 2.94Å; D124-R126 VanDerWaalsContact OD1-CB 3.26Å; D124-R126 WeakPolarHBondContact OD1-CB 3.33Å; D124-R126 WeakPolarHBondContact OD1-CG 3.47Å; D124-R126 IonicContact OD1-CZ 3.57Å; D124-R126 PolarHBondContact OD1-N 3.35Å; D124-R126 IonicContact OD1-NE 3.69Å; D124-R126 PolarHBondContact OD1-NE 2.91Å; D124-R126 IonicContact OD1-NH2 2.63Å; D124-R126 IonicContact OD2-CZ 3.35Å; D124-R126 IonicContact OD2-NE 2.77Å; D124-R126 PolarHBondContact OD2-NE 2.86Å; D124-R126 IonicContact OD2-NH2 2.72Å; D124-R126 PolarHBondContact OD2-NH2 3.26Å
125	G	86.9	Confident	87.4	Confident	48 Å²	48	53.1 Å²	53.1	50%	0.495	31%	0.313	S	S	.	.			trans	78.8	-6.9	170.8	0	0	0	0	0	115.8	A121	A121-G125 PolarHBondContact O-N 3.34Å
126	R	87.3	Confident	87.4	Confident	86 Å²	86	51.5 Å²	51.5	33%	0.325	30%	0.304	S	S	.	.			trans	-80	-33.5	178.5	-66	178	-71.7	167.5	-5.6	113.7	D81 I82 V83 D124 R175	D81-R126 PolarHBondContact O-NH1 3.04Å; I82-R126 HydrophobicContact CD1-CB 3.77Å; I82-R126 HydrophobicContact CG1-CB 4.11Å; V83-R126 PolarHBondContact O-NH2 3.36Å; D124-R126 VanDerWaalsContact C-N 3.26Å; D124-R126 PolarHBondContact O-N 2.94Å; D124-R126 VanDerWaalsContact OD1-CB 3.26Å; D124-R126 WeakPolarHBondContact OD1-CB 3.33Å; D124-R126 WeakPolarHBondContact OD1-CG 3.47Å; D124-R126 IonicContact OD1-CZ 3.57Å; D124-R126 PolarHBondContact OD1-N 3.35Å; D124-R126 IonicContact OD1-NE 3.69Å; D124-R126 PolarHBondContact OD1-NE 2.91Å; D124-R126 IonicContact OD1-NH2 2.63Å; D124-R126 IonicContact OD2-CZ 3.35Å; D124-R126 IonicContact OD2-NE 2.77Å; D124-R126 PolarHBondContact OD2-NE 2.86Å; D124-R126 IonicContact OD2-NH2 2.72Å; D124-R126 PolarHBondContact OD2-NH2 3.26Å; R126-R175 PolarHBondContact O-NH2 3.11Å
127	L	88.7	Confident	87.2	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.052	29%	0.292	C	S	.	.			trans	-77.2	131	179	-165.5	73.9	0	0	0	110.2	I82 L84 F93 V112 A121 I173	I82-L127 HydrophobicContact CD1-CB 3.92Å; I82-L127 HydrophobicContact CD1-CD1 3.83Å; L84-L127 HydrophobicContact CD1-CD2 4.5Å; F93-L127 HydrophobicContact CB-CD2 3.74Å; F93-L127 HydrophobicContact CD1-CD2 3.4Å; F93-L127 HydrophobicContact CD2-CD2 3.75Å; F93-L127 HydrophobicContact CE1-CD2 3.8Å; F93-L127 HydrophobicContact CE2-CD2 4.15Å; F93-L127 HydrophobicContact CG-CD2 3.34Å; F93-L127 HydrophobicContact CZ-CD2 4.15Å; V112-L127 HydrophobicContact CG1-CD2 4.17Å; V112-L127 HydrophobicContact CG1-CG 4.33Å; V112-L127 HydrophobicContact CG2-CD1 3.91Å; V112-L127 HydrophobicContact CG2-CD2 4.08Å; V112-L127 HydrophobicContact CG2-CG 4.09Å; A121-L127 HydrophobicContact CB-CB 4.35Å; A121-L127 HydrophobicContact CB-CD2 3.96Å; L127-I173 HydrophobicContact CD1-CD1 4.24Å; L127-I173 HydrophobicContact CD1-CG2 3.88Å
128	R	88.4	Confident	86.9	Confident	133 Å²	133	49.1 Å²	49.1	50%	0.502	29%	0.294	S	S	.	.			trans	-123.8	158.4	-177.9	-59.4	179.2	-166.8	155.3	2.7	110.6	D131 R175	R128-D131 PolarHBondContact N-OD2 3.44Å; R128-D131 WeakPolarHBondContact O-CB 3.41Å; R128-D131 PolarHBondContact O-N 3.44Å; R128-R175 VanDerWaalsContact CD-CZ 3.49Å
129	K	87.6	Confident	86.7	Confident	124 Å²	124	47.5 Å²	47.5	54%	0.539	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	141.6	167.8	-178.2	-177.1	174.3	-167.4	0	109.2	V112 T113 D131	V112-K129 WeakPolarHBondContact O-CA 3.3Å; T113-K129 WeakPolarHBondContact O-CG 3.42Å; K129-D131 VanDerWaalsContact C-N 3.27Å; K129-D131 PolarHBondContact O-N 2.93Å
130	D	88.5	Confident	86.8	Confident	75 Å²	75	51.4 Å²	51.4	40%	0.401	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	6.2	-178	-45.4	-44.7	0	0	0	115.3	V112	V112-D130 PolarHBondContact O-N 3.21Å
131	D	91.3	Very high	87	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	28%	0.28	C	S	.	.			trans	-67.7	138.8	167.4	-70.3	-15.4	0	0	0	109.7	Y111 V112 R128 K129 I173 R175	Y111-D131 CarbonylContact C-O 3.48Å; Y111-D131 WeakPolarHBondContact CA-O 3.36Å; V112-D131 HydrophobicContact CG2-CB 4.3Å; V112-D131 PolarHBondContact N-O 3.36Å; R128-D131 PolarHBondContact N-OD2 3.44Å; R128-D131 WeakPolarHBondContact O-CB 3.41Å; R128-D131 PolarHBondContact O-N 3.44Å; K129-D131 VanDerWaalsContact C-N 3.27Å; K129-D131 PolarHBondContact O-N 2.93Å; D131-I173 HydrophobicContact CB-CB 4.46Å; D131-I173 HydrophobicContact CB-CD1 4.07Å; D131-I173 VanDerWaalsContact OD2-CD1 3.23Å; D131-I173 WeakPolarHBondContact OD2-CD1 3.26Å; D131-R175 WeakPolarHBondContact OD1-CB 3.24Å; D131-R175 WeakPolarHBondContact OD1-CG 3.46Å; D131-R175 IonicContact OD1-CZ 3.49Å; D131-R175 IonicContact OD1-NE 3.35Å; D131-R175 PolarHBondContact OD1-NE 2.76Å; D131-R175 IonicContact OD1-NH2 3.29Å; D131-R175 PolarHBondContact OD1-NH2 3.12Å; D131-R175 IonicContact OD2-CZ 3.04Å; D131-R175 IonicContact OD2-NE 3.33Å; D131-R175 IonicContact OD2-NH2 3.46Å; D131-R175 PolarHBondContact OD2-NH2 3.42Å
132	I	92	Very high	86.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.7	176.2	-65.2	168.1	0	0	0	109	W77 I110 Y111 L134 I173 R174	W77-I132 HydrophobicContact CH2-CD1 4.21Å; W77-I132 HydrophobicContact CZ3-CD1 4.14Å; I110-I132 CarbonylContact O-C 3.45Å; I110-I132 WeakPolarHBondContact O-CA 3.5Å; Y111-I132 HydrophobicContact CD1-CD1 4.43Å; Y111-I132 HydrophobicContact CD1-CG1 3.61Å; Y111-I132 HydrophobicContact CE1-CD1 3.66Å; Y111-I132 HydrophobicContact CE1-CG1 3.34Å; Y111-I132 HydrophobicContact CG-CG1 4.32Å; I132-L134 HydrophobicContact CG2-CD2 3.86Å; I132-L134 PolarHBondContact O-N 3.4Å; I132-I173 CarbonylContact O-C 3.56Å; I132-I173 WeakPolarHBondContact O-CA 3.42Å; I132-R174 HydrophobicContact CB-CB 4.28Å; I132-R174 PolarHBondContact N-O 3.31Å; I132-R174 PolarHBondContact O-N 2.87Å
133	I	90.9	Very high	87	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.6	173.2	-51.7	-178.7	0	0	0	108.4	F93 I95 I110 V112 V136 T141 L153 I173	F93-I133 HydrophobicContact CE2-CD1 3.68Å; F93-I133 HydrophobicContact CZ-CD1 4.24Å; I95-I133 HydrophobicContact CG2-CD1 3.51Å; I110-I133 HydrophobicContact CB-CB 4.4Å; I110-I133 HydrophobicContact CG2-CB 4.31Å; I110-I133 HydrophobicContact CG2-CD1 4.37Å; I110-I133 PolarHBondContact O-N 2.8Å; V112-I133 HydrophobicContact CG2-CD1 4.05Å; V112-I133 HydrophobicContact CG2-CG1 3.98Å; I133-V136 HydrophobicContact CG2-CG2 3.53Å; I133-T141 PolarHBondContact O-OG1 2.68Å; I133-L153 HydrophobicContact CD1-CD1 4.39Å; I133-I173 HydrophobicContact CG1-CG2 4.35Å
134	L	88.8	Confident	87.1	Confident	35 Å²	35	52.8 Å²	52.8	18%	0.183	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-33.9	178.7	-62.1	179.1	0	0	0	112.2	Y79 I132 D140 T141 T142 H172 R174	Y79-L134 HydrophobicContact CD1-CD1 3.69Å; Y79-L134 HydrophobicContact CE1-CD1 3.52Å; I132-L134 HydrophobicContact CG2-CD2 3.86Å; I132-L134 PolarHBondContact O-N 3.4Å; L134-D140 VanDerWaalsContact O-OD1 3.13Å; L134-T141 PolarHBondContact O-N 3.31Å; L134-T141 PolarHBondContact O-OG1 2.8Å; L134-T142 HydrophobicContact CB-CG2 4.27Å; L134-T142 HydrophobicContact CD2-CG2 3.73Å; L134-H172 HydrophobicContact CB-CB 4.41Å; L134-H172 PolarHBondContact N-O 3.33Å; L134-R174 HydrophobicContact CD1-CB 3.81Å; L134-R174 HydrophobicContact CD2-CB 4.21Å; L134-R174 HydrophobicContact CG-CB 4Å
135	R	87.7	Confident	87.3	Confident	99 Å²	99	53.8 Å²	53.8	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	142.6	-178.6	-162.6	173.3	79.8	155.9	2.8	110.6	N137 T139 T141 F171 H172	R135-N137 WeakPolarHBondContact CD-O 3.3Å; R135-N137 WeakPolarHBondContact CG-O 3.43Å; R135-N137 PolarHBondContact NE-O 3.15Å; R135-N137 PolarHBondContact NH2-O 2.82Å; R135-T139 CarbonylContact C-O 3.48Å; R135-T139 WeakPolarHBondContact CA-O 3.24Å; R135-T139 WeakPolarHBondContact CG-O 3.31Å; R135-T141 PolarHBondContact N-OG1 2.9Å; R135-F171 CarbonylContact O-C 3.57Å; R135-F171 WeakPolarHBondContact O-CA 3.13Å; R135-H172 HydrophobicContact CB-CB 4.07Å; R135-H172 PolarHBondContact N-O 2.76Å; R135-H172 PolarHBondContact NE-CD2 2.88Å; R135-H172 VanDerWaalsContact NE-CD2 3.29Å; R135-H172 PolarHBondContact NH2-NE2 3.47Å; R135-H172 PolarHBondContact O-N 2.84Å
136	V	85.8	Confident	87.4	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	101	171.4	177.6	0	0	0	0	108.4	I133 S138 T139 T141 A152 L153 A156 F171	I133-V136 HydrophobicContact CG2-CG2 3.53Å; V136-S138 PolarHBondContact O-N 2.87Å; V136-T139 PolarHBondContact N-O 3.3Å; V136-T139 WeakPolarHBondContact O-CB 3.21Å; V136-T139 PolarHBondContact O-N 3.11Å; V136-T141 HydrophobicContact CB-CG2 4.44Å; V136-T141 HydrophobicContact CG2-CG2 4.01Å; V136-A152 HydrophobicContact CB-CB 3.73Å; V136-A152 HydrophobicContact CG1-CB 3.84Å; V136-A152 VanDerWaalsContact CG1-O 3.28Å; V136-A152 WeakPolarHBondContact CG1-O 3.42Å; V136-A152 HydrophobicContact CG2-CB 4.33Å; V136-L153 HydrophobicContact CG1-CD2 3.88Å; V136-L153 HydrophobicContact CG1-CG 4.26Å; V136-L153 HydrophobicContact CG2-CD2 3.74Å; V136-L153 HydrophobicContact CG2-CG 4.01Å; V136-A156 HydrophobicContact CG1-CB 4.39Å; V136-F171 HydrophobicContact CB-CD1 4.18Å; V136-F171 HydrophobicContact CG1-CD1 3.64Å; V136-F171 HydrophobicContact CG1-CE1 3.8Å; V136-F171 HydrophobicContact CG2-CD1 4.34Å
137	N	81.6	Confident	87.6	Confident	11 Å²	11	52.7 Å²	52.7	6%	0.059	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-114.6	-172.9	-48	-42.3	0	0	0	112.2	R135 A156 K169 T170	R135-N137 WeakPolarHBondContact CD-O 3.3Å; R135-N137 WeakPolarHBondContact CG-O 3.43Å; R135-N137 PolarHBondContact NE-O 3.15Å; R135-N137 PolarHBondContact NH2-O 2.82Å; N137-A156 WeakPolarHBondContact ND2-CA 3.49Å; N137-A156 WeakPolarHBondContact ND2-CB 3.34Å; N137-K169 HydrophobicContact CB-CB 4.12Å; N137-K169 HydrophobicContact CB-CD 4.46Å; N137-K169 HydrophobicContact CB-CG 3.96Å; N137-K169 VanDerWaalsContact CG-CB 3.47Å; N137-K169 WeakPolarHBondContact OD1-CA 3.34Å; N137-K169 WeakPolarHBondContact OD1-CB 3.45Å; N137-T170 VanDerWaalsContact CA-O 3.23Å; N137-T170 WeakPolarHBondContact CA-O 3.44Å; N137-T170 PolarHBondContact N-O 3.33Å; N137-T170 PolarHBondContact OD1-N 3.38Å
138	S	77.9	Confident	87.7	Confident	111 Å²	111	55.1 Å²	55.1	78%	0.776	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.7	176.3	56.3	0	0	0	0	113.6	V136	V136-S138 PolarHBondContact O-N 2.87Å
139	T	80.3	Confident	87.7	Confident	52 Å²	52	48.9 Å²	48.9	32%	0.319	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.4	-177.8	-57.5	0	0	0	0	109.9	R135 V136 V148 A152	R135-T139 CarbonylContact C-O 3.48Å; R135-T139 WeakPolarHBondContact CA-O 3.24Å; R135-T139 WeakPolarHBondContact CG-O 3.31Å; V136-T139 PolarHBondContact N-O 3.3Å; V136-T139 WeakPolarHBondContact O-CB 3.21Å; V136-T139 PolarHBondContact O-N 3.11Å; T139-V148 HydrophobicContact CG2-CG1 4.43Å; T139-A152 HydrophobicContact CG2-CB 3.76Å
140	D	87	Confident	87.7	Confident	88 Å²	88	44.9 Å²	44.9	47%	0.471	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.9	168.9	-163	-28	0	0	0	109.6	L134 T142 V144	L134-D140 VanDerWaalsContact O-OD1 3.13Å; D140-T142 WeakPolarHBondContact OD1-CB 3.36Å; D140-T142 PolarHBondContact OD1-N 2.93Å; D140-T142 PolarHBondContact OD1-OG1 2.86Å; D140-T142 PolarHBondContact OD2-OG1 2.82Å; D140-V144 WeakPolarHBondContact O-CG1 3.23Å
141	T	88.7	Confident	87.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.			trans	-117.1	11.8	178.9	53.2	0	0	0	0	112.5	I133 L134 R135 V136 V144 A149 A152	I133-T141 PolarHBondContact O-OG1 2.68Å; L134-T141 PolarHBondContact O-N 3.31Å; L134-T141 PolarHBondContact O-OG1 2.8Å; R135-T141 PolarHBondContact N-OG1 2.9Å; V136-T141 HydrophobicContact CB-CG2 4.44Å; V136-T141 HydrophobicContact CG2-CG2 4.01Å; T141-V144 HydrophobicContact CG2-CG2 4.34Å; T141-A149 HydrophobicContact CG2-CB 4.05Å; T141-A152 HydrophobicContact CG2-CB 4.48Å
142	T	85.8	Confident	87.5	Confident	66 Å²	66	45 Å²	45	41%	0.405	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	121.4	168.6	63.5	0	0	0	0	109.7	L134 D140 V144	L134-T142 HydrophobicContact CB-CG2 4.27Å; L134-T142 HydrophobicContact CD2-CG2 3.73Å; D140-T142 WeakPolarHBondContact OD1-CB 3.36Å; D140-T142 PolarHBondContact OD1-N 2.93Å; D140-T142 PolarHBondContact OD1-OG1 2.86Å; D140-T142 PolarHBondContact OD2-OG1 2.82Å; T142-V144 PolarHBondContact O-N 2.93Å
143	D	88.5	Confident	87.3	Confident	80 Å²	80	45.9 Å²	45.9	43%	0.428	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	39.2	-176.9	-161.9	39.5	0	0	0	116.2	R99 P108	R99-D143 WeakPolarHBondContact CD-OD1 3.26Å; R99-D143 IonicContact CZ-OD2 2.63Å; R99-D143 IonicContact NH1-OD1 3.72Å; R99-D143 IonicContact NH1-OD2 2.99Å; R99-D143 PolarHBondContact NH1-OD2 3.25Å; P108-D143 WeakPolarHBondContact CB-OD1 3.17Å; P108-D143 HydrophobicContact CG-CB 4.36Å
144	V	87.7	Confident	86.9	Confident	25 Å²	25	51.5 Å²	51.5	15%	0.152	28%	0.278	C	S	.	.			trans	-104.1	161	172.5	-56.2	0	0	0	0	111.6	G98 R99 I110 D140 T141 T142 V148 A149	G98-V144 CarbonylContact C-O 3.59Å; G98-V144 WeakPolarHBondContact CA-O 3.43Å; R99-V144 PolarHBondContact N-O 2.85Å; I110-V144 HydrophobicContact CD1-CG2 4.35Å; I110-V144 HydrophobicContact CG1-CG2 4.31Å; D140-V144 WeakPolarHBondContact O-CG1 3.23Å; T141-V144 HydrophobicContact CG2-CG2 4.34Å; T142-V144 PolarHBondContact O-N 2.93Å; V144-V148 HydrophobicContact CB-CB 3.88Å; V144-V148 HydrophobicContact CB-CG1 3.92Å; V144-V148 HydrophobicContact CG1-CG1 4.1Å; V144-V148 HydrophobicContact CG2-CB 4.07Å; V144-V148 HydrophobicContact CG2-CG1 4.2Å; V144-A149 HydrophobicContact CG2-CB 4.18Å
145	F	91	Very high	86.5	Confident	78 Å²	78	58.9 Å²	58.9	34%	0.342	30%	0.303	S	S	.	.			trans	-65.2	148.9	167.3	-74.1	-120.5	0	0	0	109.4	D100 S147 V148 A149	D100-F145 HydrophobicContact CB-CD1 3.53Å; D100-F145 HydrophobicContact CB-CE1 3.93Å; D100-F145 HydrophobicContact CB-CG 4.25Å; D100-F145 WeakPolarHBondContact OD1-CA 3.46Å; F145-S147 PolarHBondContact O-N 3.48Å; F145-S147 VanDerWaalsContact O-N 3.11Å; F145-V148 HydrophobicContact CB-CG2 4.26Å; F145-V148 WeakPolarHBondContact O-CB 3.19Å; F145-V148 PolarHBondContact O-N 2.9Å; F145-A149 PolarHBondContact O-N 3.24Å
146	H	89.6	Confident	85.7	Confident	47 Å²	47	54.6 Å²	54.6	22%	0.218	29%	0.288	C	S	.	.	H	α-helix	trans	-49.5	-42.3	178.5	-174.8	74.7	0	0	0	111.6	I95 G97 D100 V148 A149 V150	I95-H146 PolarHBondContact O-CE1 2.91Å; G97-H146 VanDerWaalsContact O-CB 3.23Å; G97-H146 WeakPolarHBondContact O-CB 3.33Å; G97-H146 PolarHBondContact O-ND1 3.22Å; D100-H146 PolarHBondContact OD1-N 2.77Å; H146-V148 VanDerWaalsContact C-N 3.33Å; H146-V148 PolarHBondContact O-N 2.89Å; H146-A149 PolarHBondContact O-N 3.35Å; H146-V150 WeakPolarHBondContact O-CG2 3.36Å; H146-V150 PolarHBondContact O-N 2.87Å
147	S	92.3	Very high	84.6	Confident	64 Å²	64	56 Å²	56	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-37.4	178.4	59.9	0	0	0	0	113.6	F145 V150 E151	F145-S147 PolarHBondContact O-N 3.48Å; F145-S147 VanDerWaalsContact O-N 3.11Å; S147-V150 PolarHBondContact O-N 2.75Å; S147-E151 WeakPolarHBondContact O-CB 3.35Å; S147-E151 WeakPolarHBondContact O-CG 3.38Å; S147-E151 PolarHBondContact O-N 2.86Å
148	V	89.5	Confident	83.5	Confident	61 Å²	61	60.1 Å²	60.1	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-40.7	178.3	176.5	0	0	0	0	110.5	T139 V144 F145 H146 E151 A152	T139-V148 HydrophobicContact CG2-CG1 4.43Å; V144-V148 HydrophobicContact CB-CB 3.88Å; V144-V148 HydrophobicContact CB-CG1 3.92Å; V144-V148 HydrophobicContact CG1-CG1 4.1Å; V144-V148 HydrophobicContact CG2-CB 4.07Å; V144-V148 HydrophobicContact CG2-CG1 4.2Å; F145-V148 HydrophobicContact CB-CG2 4.26Å; F145-V148 WeakPolarHBondContact O-CB 3.19Å; F145-V148 PolarHBondContact O-N 2.9Å; H146-V148 VanDerWaalsContact C-N 3.33Å; H146-V148 PolarHBondContact O-N 2.89Å; V148-E151 PolarHBondContact O-N 2.86Å; V148-A152 WeakPolarHBondContact O-CB 3.3Å; V148-A152 PolarHBondContact O-N 2.83Å
149	A	88.6	Confident	82.2	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-41.6	175.8	0	0	0	0	0	112.1	I95 I110 T141 V144 F145 H146 A152 L153	I95-A149 HydrophobicContact CD1-CB 3.92Å; I110-A149 HydrophobicContact CB-CB 4.36Å; I110-A149 HydrophobicContact CD1-CB 3.53Å; I110-A149 HydrophobicContact CG1-CB 3.56Å; I110-A149 HydrophobicContact CG2-CB 3.97Å; T141-A149 HydrophobicContact CG2-CB 4.05Å; V144-A149 HydrophobicContact CG2-CB 4.18Å; F145-A149 PolarHBondContact O-N 3.24Å; H146-A149 PolarHBondContact O-N 3.35Å; A149-A152 PolarHBondContact O-N 3.04Å; A149-L153 WeakPolarHBondContact O-CG 3.23Å; A149-L153 PolarHBondContact O-N 3.11Å
150	V	89.1	Confident	79.9	Confident	40 Å²	40	61.7 Å²	61.7	24%	0.242	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-46.2	173.9	172.1	0	0	0	0	111.2	I95 H146 S147 L153 K154	I95-V150 HydrophobicContact CD1-CG2 3.85Å; I95-V150 HydrophobicContact CG1-CG2 4.38Å; H146-V150 WeakPolarHBondContact O-CG2 3.36Å; H146-V150 PolarHBondContact O-N 2.87Å; S147-V150 PolarHBondContact O-N 2.75Å; V150-L153 PolarHBondContact O-N 3.22Å; V150-K154 HydrophobicContact CG1-CD 4.21Å; V150-K154 WeakPolarHBondContact O-CG 3.14Å; V150-K154 PolarHBondContact O-N 3.41Å
151	E	87.6	Confident	77.2	Confident	77 Å²	77	67.1 Å²	67.1	36%	0.36	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-37.6	178.3	-76.5	-56.5	126	0	0	112.4	S147 V148 L153 K154 R155	S147-E151 WeakPolarHBondContact O-CB 3.35Å; S147-E151 WeakPolarHBondContact O-CG 3.38Å; S147-E151 PolarHBondContact O-N 2.86Å; V148-E151 PolarHBondContact O-N 2.86Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.46Å; E151-K154 PolarHBondContact O-N 3.2Å; E151-K154 VanDerWaalsContact OE1-CD 3.3Å; E151-K154 WeakPolarHBondContact OE1-CD 3.46Å; E151-K154 IonicContact OE1-NZ 3.51Å; E151-K154 PolarHBondContact OE1-NZ 2.98Å; E151-R155 WeakPolarHBondContact O-CB 3.36Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 3.18Å
152	A	86.4	Confident	74.2	Confident	5 Å²	5	73.3 Å²	73.3	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-44.6	173.5	0	0	0	0	0	111.4	V136 T139 T141 V148 A149 R155 A156	V136-A152 HydrophobicContact CB-CB 3.73Å; V136-A152 HydrophobicContact CG1-CB 3.84Å; V136-A152 VanDerWaalsContact CG1-O 3.28Å; V136-A152 WeakPolarHBondContact CG1-O 3.42Å; V136-A152 HydrophobicContact CG2-CB 4.33Å; T139-A152 HydrophobicContact CG2-CB 3.76Å; T141-A152 HydrophobicContact CG2-CB 4.48Å; V148-A152 WeakPolarHBondContact O-CB 3.3Å; V148-A152 PolarHBondContact O-N 2.83Å; A149-A152 PolarHBondContact O-N 3.04Å; A152-R155 PolarHBondContact O-N 3.47Å; A152-A156 PolarHBondContact O-N 3.13Å
153	L	87.9	Confident	71.6	Confident	18 Å²	18	76.8 Å²	76.8	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-66.9	-40.3	177	-73	171.2	0	0	0	112.2	L91 F93 I95 I133 V136 A149 V150 E151 R155 A156 F171	L91-L153 HydrophobicContact CD1-CB 4.46Å; L91-L153 HydrophobicContact CD1-CD2 4.05Å; F93-L153 HydrophobicContact CE2-CD1 3.95Å; F93-L153 HydrophobicContact CE2-CD2 4.36Å; F93-L153 HydrophobicContact CZ-CD1 4.08Å; F93-L153 HydrophobicContact CZ-CD2 3.71Å; I95-L153 HydrophobicContact CD1-CD1 3.73Å; I95-L153 HydrophobicContact CG1-CD1 4.23Å; I95-L153 HydrophobicContact CG2-CD1 4.02Å; I133-L153 HydrophobicContact CD1-CD1 4.39Å; V136-L153 HydrophobicContact CG1-CD2 3.88Å; V136-L153 HydrophobicContact CG1-CG 4.26Å; V136-L153 HydrophobicContact CG2-CD2 3.74Å; V136-L153 HydrophobicContact CG2-CG 4.01Å; A149-L153 WeakPolarHBondContact O-CG 3.23Å; A149-L153 PolarHBondContact O-N 3.11Å; V150-L153 PolarHBondContact O-N 3.22Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.46Å; L153-R155 PolarHBondContact O-N 2.91Å; L153-A156 WeakPolarHBondContact O-CB 3.25Å; L153-A156 PolarHBondContact O-N 3.05Å; L153-F171 HydrophobicContact CD2-CD1 4.45Å; L153-F171 HydrophobicContact CD2-CE1 4.37Å
154	K	83.7	Confident	68.7	Low	123 Å²	123	80.3 Å²	80.3	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-62	-42.2	175.5	-75.9	175.4	-175.4	170	0	111.9	V150 E151 A156	V150-K154 HydrophobicContact CG1-CD 4.21Å; V150-K154 WeakPolarHBondContact O-CG 3.14Å; V150-K154 PolarHBondContact O-N 3.41Å; E151-K154 PolarHBondContact O-N 3.2Å; E151-K154 VanDerWaalsContact OE1-CD 3.3Å; E151-K154 WeakPolarHBondContact OE1-CD 3.46Å; E151-K154 IonicContact OE1-NZ 3.51Å; E151-K154 PolarHBondContact OE1-NZ 2.98Å; K154-A156 VanDerWaalsContact C-N 3.26Å; K154-A156 PolarHBondContact O-N 3.45Å
155	R	79	Confident	66.5	Low	190 Å²	190	86 Å²	86	72%	0.717	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.8	178.9	-71.9	-179	-169.6	-152.7	1.6	114.4	E151 A152 L153 G157 K169	E151-R155 WeakPolarHBondContact O-CB 3.36Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 3.18Å; A152-R155 PolarHBondContact O-N 3.47Å; L153-R155 PolarHBondContact O-N 2.91Å; R155-G157 VanDerWaalsContact C-N 3.3Å; R155-G157 PolarHBondContact O-N 3.09Å; R155-K169 PolarHBondContact O-NZ 3.48Å; R155-K169 VanDerWaalsContact O-NZ 3.17Å
156	A	71.1	Confident	63.8	Low	8 Å²	8	90.1 Å²	90.1	7%	0.066	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.5	-175.1	0	0	0	0	0	114.4	V136 N137 A152 L153 K154 K169 F171	V136-A156 HydrophobicContact CG1-CB 4.39Å; N137-A156 WeakPolarHBondContact ND2-CA 3.49Å; N137-A156 WeakPolarHBondContact ND2-CB 3.34Å; A152-A156 PolarHBondContact O-N 3.13Å; L153-A156 WeakPolarHBondContact O-CB 3.25Å; L153-A156 PolarHBondContact O-N 3.05Å; K154-A156 VanDerWaalsContact C-N 3.26Å; K154-A156 PolarHBondContact O-N 3.45Å; A156-K169 WeakPolarHBondContact O-CD 3.23Å; A156-K169 PolarHBondContact O-NZ 3.07Å; A156-F171 HydrophobicContact CB-CE1 3.6Å; A156-F171 HydrophobicContact CB-CZ 4.03Å
157	G	64.1	Low	61.7	Low	32 Å²	32	97.2 Å²	97.2	33%	0.33	51%	0.507	S	S	.	.			trans	79.2	-164.4	-179.1	0	0	0	0	0	113.3	R155	R155-G157 VanDerWaalsContact C-N 3.3Å; R155-G157 PolarHBondContact O-N 3.09Å
158	N	57.6	Low	59.2	Low	97 Å²	97	98.5 Å²	98.5	52%	0.519	51%	0.508	S	S	.	.	S	Bend	trans	-109.7	-41	-158.8	-75	4.4	0	0	0	118.8	E85 K86	E85-N158 WeakPolarHBondContact CA-O 3.41Å; E85-N158 WeakPolarHBondContact CB-O 3.38Å; K86-N158 WeakPolarHBondContact CB-OD1 3.3Å; K86-N158 WeakPolarHBondContact CD-OD1 3.4Å
159	V	50.3	Low	57.3	Low	113 Å²	113	100.9 Å²	100.9	69%	0.685	51%	0.514	S	S	*	.			trans	-160.9	159.3	-162.2	165.4	0	0	0	0	115	E85	E85-V159 HydrophobicContact CB-CG2 4.01Å; E85-V159 HydrophobicContact CG-CB 4.33Å; E85-V159 HydrophobicContact CG-CG2 3.71Å; E85-V159 WeakPolarHBondContact OE1-CG1 3.31Å; E85-V159 WeakPolarHBondContact OE1-CG2 3.41Å
160	V	32.5	Very low	56	Low	82 Å²	82	101.8 Å²	101.8	50%	0.497	52%	0.519	S	S	.	.			trans	-91.2	144.9	-156.6	-176.2	0	0	0	0	119.7	V83	V83-V160 HydrophobicContact CG1-CG2 3.5Å; V83-V160 VanDerWaalsContact CG1-CG2 3.5Å
161	K	30.9	Very low	55.1	Low	203 Å²	203	100.5 Å²	100.5	88%	0.883	51%	0.51	S	S	*	.			trans	-174.5	133.6	135.3	-112.2	175.6	-177.6	174.9	0	114.3
162	L	25.7	Very low	54.7	Low	130 Å²	130	99 Å²	99	68%	0.681	50%	0.503	S	S	*	.			trans	-81.6	121	176.2	-81.9	149.1	0	0	0	112.6	L168	L162-L168 HydrophobicContact CB-CD1 4.48Å; L162-L168 HydrophobicContact CD2-CD1 3.52Å; L162-L168 HydrophobicContact CD2-CD2 3.52Å; L162-L168 HydrophobicContact CD2-CG 4.15Å; L162-L168 HydrophobicContact CG-CD1 3.9Å; L162-L168 HydrophobicContact CG-CD2 3.84Å; L162-L168 HydrophobicContact CG-CG 4.45Å
163	V	30.2	Very low	54.2	Low	138 Å²	138	98.9 Å²	98.9	84%	0.836	50%	0.502	S	S	*	.			trans	-155.7	133.1	140.4	-168	0	0	0	0	108.3	D165	V163-D165 PolarHBondContact O-N 2.75Å
164	N	28.6	Very low	54.1	Low	154 Å²	154	100.8 Å²	100.8	82%	0.824	51%	0.508	S	S	*	.	S	Bend	trans	-4.4	95.3	168.8	-122.2	3.7	0	0	0	117.7
165	D	40.4	Very low	53.9	Low	145 Å²	145	95.9 Å²	95.9	78%	0.775	49%	0.486	S	S	*	.	S	Bend	trans	168.8	75.1	144.6	-98.8	-18.6	0	0	0	108.2	V163 K167	V163-D165 PolarHBondContact O-N 2.75Å; D165-K167 VanDerWaalsContact C-N 3.29Å; D165-K167 PolarHBondContact O-N 2.94Å
166	N	34.3	Very low	53.4	Low	164 Å²	164	95 Å²	95	88%	0.877	48%	0.482	S	S	*	.	S	Bend	trans	40.8	21.5	155.7	-67.6	-15.3	0	0	0	121.9
167	K	46.5	Very low	52.8	Low	196 Å²	196	97.2 Å²	97.2	85%	0.852	50%	0.495	S	S	*	.			trans	-123.1	58	167.6	-76.2	-174.1	178.4	175.9	0	112.4	D165	D165-K167 VanDerWaalsContact C-N 3.29Å; D165-K167 PolarHBondContact O-N 2.94Å
168	L	38.7	Very low	52	Low	91 Å²	91	105.1 Å²	105.1	48%	0.476	52%	0.515	S	S	.	.			trans	-84.1	138.7	157.1	-111.1	82.8	0	0	0	110	L162	L162-L168 HydrophobicContact CB-CD1 4.48Å; L162-L168 HydrophobicContact CD2-CD1 3.52Å; L162-L168 HydrophobicContact CD2-CD2 3.52Å; L162-L168 HydrophobicContact CD2-CG 4.15Å; L162-L168 HydrophobicContact CG-CD1 3.9Å; L162-L168 HydrophobicContact CG-CD2 3.84Å; L162-L168 HydrophobicContact CG-CG 4.45Å
169	K	50.7	Low	51	Low	112 Å²	112	105.8 Å²	105.8	49%	0.487	52%	0.519	S	S	.	.			trans	-112.6	94.4	-179.7	-77.1	-162.3	-177.3	-175.3	0	108.1	N137 R155 A156	N137-K169 HydrophobicContact CB-CB 4.12Å; N137-K169 HydrophobicContact CB-CD 4.46Å; N137-K169 HydrophobicContact CB-CG 3.96Å; N137-K169 VanDerWaalsContact CG-CB 3.47Å; N137-K169 WeakPolarHBondContact OD1-CA 3.34Å; N137-K169 WeakPolarHBondContact OD1-CB 3.45Å; R155-K169 PolarHBondContact O-NZ 3.48Å; R155-K169 VanDerWaalsContact O-NZ 3.17Å; A156-K169 WeakPolarHBondContact O-CD 3.23Å; A156-K169 PolarHBondContact O-NZ 3.07Å
170	T	61.4	Low	50.3	Low	20 Å²	20	105.5 Å²	105.5	12%	0.123	52%	0.522	C	S	.	.			trans	-118.3	147.3	176.2	32	0	0	0	0	110	V83 N137	V83-T170 HydrophobicContact CG2-CG2 3.37Å; N137-T170 VanDerWaalsContact CA-O 3.23Å; N137-T170 WeakPolarHBondContact CA-O 3.44Å; N137-T170 PolarHBondContact N-O 3.33Å; N137-T170 PolarHBondContact OD1-N 3.38Å
171	F	70.4	Confident	50.1	Low	12 Å²	12	110.9 Å²	110.9	5%	0.053	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.9	167.1	-30.9	-60.1	0	0	0	108.9	I82 L84 L91 R135 V136 L153 A156	I82-F171 PolarHBondContact N-O 2.88Å; I82-F171 WeakPolarHBondContact O-CD2 3.41Å; I82-F171 PolarHBondContact O-N 2.96Å; L84-F171 HydrophobicContact CB-CE2 4.08Å; L84-F171 HydrophobicContact CD1-CE2 4.27Å; L84-F171 HydrophobicContact CG-CE2 4.2Å; L91-F171 HydrophobicContact CD1-CZ 4.21Å; L91-F171 HydrophobicContact CD2-CZ 4.36Å; R135-F171 CarbonylContact O-C 3.57Å; R135-F171 WeakPolarHBondContact O-CA 3.13Å; V136-F171 HydrophobicContact CB-CD1 4.18Å; V136-F171 HydrophobicContact CG1-CD1 3.64Å; V136-F171 HydrophobicContact CG1-CE1 3.8Å; V136-F171 HydrophobicContact CG2-CD1 4.34Å; L153-F171 HydrophobicContact CD2-CD1 4.45Å; L153-F171 HydrophobicContact CD2-CE1 4.37Å; A156-F171 HydrophobicContact CB-CE1 3.6Å; A156-F171 HydrophobicContact CB-CZ 4.03Å
172	H	77.4	Confident	50.2	Low	47 Å²	47	106 Å²	106	22%	0.218	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.4	174.5	-65.5	-93	0	0	0	108.6	D81 L134 R135	D81-H172 VanDerWaalsContact CG-CE1 3.48Å; D81-H172 IonicContact OD1-CE1 3.37Å; D81-H172 PolarHBondContact OD1-CE1 3.22Å; D81-H172 IonicContact OD1-CG 3.03Å; D81-H172 IonicContact OD1-ND1 3.82Å; D81-H172 PolarHBondContact OD1-ND1 3.43Å; D81-H172 IonicContact OD2-CE1 3.5Å; D81-H172 PolarHBondContact OD2-CE1 2.78Å; D81-H172 IonicContact OD2-ND1 3.11Å; L134-H172 HydrophobicContact CB-CB 4.41Å; L134-H172 PolarHBondContact N-O 3.33Å; R135-H172 HydrophobicContact CB-CB 4.07Å; R135-H172 PolarHBondContact N-O 2.76Å; R135-H172 PolarHBondContact NE-CD2 2.88Å; R135-H172 VanDerWaalsContact NE-CD2 3.29Å; R135-H172 PolarHBondContact NH2-NE2 3.47Å; R135-H172 PolarHBondContact O-N 2.84Å
173	I	77.6	Confident	50.4	Low	2 Å²	2	108.1 Å²	108.1	1%	0.01	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.8	177.4	61.9	154.7	0	0	0	112.1	Y79 D80 I82 L127 D131 I132 I133	Y79-I173 VanDerWaalsContact CA-O 3.31Å; Y79-I173 WeakPolarHBondContact CA-O 3.36Å; D80-I173 HydrophobicContact CB-CD1 4.1Å; D80-I173 HydrophobicContact CB-CG1 3.85Å; D80-I173 PolarHBondContact N-O 2.93Å; D80-I173 VanDerWaalsContact N-O 3.13Å; D80-I173 WeakPolarHBondContact O-CG1 3.31Å; D80-I173 PolarHBondContact O-N 3.27Å; I82-I173 HydrophobicContact CD1-CD1 3.48Å; I82-I173 VanDerWaalsContact CD1-CD1 3.48Å; I82-I173 HydrophobicContact CD1-CG1 4Å; I82-I173 HydrophobicContact CG1-CD1 4.32Å; I82-I173 HydrophobicContact CG1-CG1 4.38Å; L127-I173 HydrophobicContact CD1-CD1 4.24Å; L127-I173 HydrophobicContact CD1-CG2 3.88Å; D131-I173 HydrophobicContact CB-CB 4.46Å; D131-I173 HydrophobicContact CB-CD1 4.07Å; D131-I173 VanDerWaalsContact OD2-CD1 3.23Å; D131-I173 WeakPolarHBondContact OD2-CD1 3.26Å; I132-I173 CarbonylContact O-C 3.56Å; I132-I173 WeakPolarHBondContact O-CA 3.42Å; I133-I173 HydrophobicContact CG1-CG2 4.35Å
174	R	85.1	Confident	50.6	Low	57 Å²	57	108.2 Å²	108.2	22%	0.215	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.9	171	-162.4	-175.3	84.7	-178.2	2.4	109.7	W77 E78 Y79 I132 L134	W77-R174 HydrophobicContact CB-CG 3.97Å; W77-R174 HydrophobicContact CD2-CG 4.06Å; W77-R174 VanDerWaalsContact CD2-NE 3.26Å; W77-R174 HydrophobicContact CE3-CG 3.63Å; W77-R174 HydrophobicContact CG-CG 4.21Å; W77-R174 HydrophobicContact CZ3-CG 4.42Å; E78-R174 CarbonylContact O-C 3.53Å; E78-R174 WeakPolarHBondContact O-CA 3.38Å; Y79-R174 HydrophobicContact CD1-CB 4.3Å; Y79-R174 HydrophobicContact CD1-CG 4.12Å; Y79-R174 HydrophobicContact CE1-CB 4.15Å; Y79-R174 HydrophobicContact CE1-CG 3.68Å; Y79-R174 HydrophobicContact CE2-CG 4.29Å; Y79-R174 WeakPolarHBondContact OH-CD 3.15Å; I132-R174 HydrophobicContact CB-CB 4.28Å; I132-R174 PolarHBondContact N-O 3.31Å; I132-R174 PolarHBondContact O-N 2.87Å; L134-R174 HydrophobicContact CD1-CB 3.81Å; L134-R174 HydrophobicContact CD2-CB 4.21Å; L134-R174 HydrophobicContact CG-CB 4Å
175	R	80.3	Confident	50.9	Low	21 Å²	21	109.7 Å²	109.7	8%	0.079	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.1	-180	176.5	-177.1	-62	140.5	4.4	110.8	W77 E78 R126 R128 D131 V177	W77-R175 CarbonylContact C-O 3.51Å; W77-R175 VanDerWaalsContact CA-O 3.26Å; W77-R175 WeakPolarHBondContact CA-O 3.5Å; E78-R175 HydrophobicContact CB-CB 4.49Å; E78-R175 PolarHBondContact N-O 3.18Å; E78-R175 PolarHBondContact O-N 2.84Å; E78-R175 IonicContact OE2-NH1 3.5Å; E78-R175 PolarHBondContact OE2-NH1 3.45Å; R126-R175 PolarHBondContact O-NH2 3.11Å; R128-R175 VanDerWaalsContact CD-CZ 3.49Å; D131-R175 WeakPolarHBondContact OD1-CB 3.24Å; D131-R175 WeakPolarHBondContact OD1-CG 3.46Å; D131-R175 IonicContact OD1-CZ 3.49Å; D131-R175 IonicContact OD1-NE 3.35Å; D131-R175 PolarHBondContact OD1-NE 2.76Å; D131-R175 IonicContact OD1-NH2 3.29Å; D131-R175 PolarHBondContact OD1-NH2 3.12Å; D131-R175 IonicContact OD2-CZ 3.04Å; D131-R175 IonicContact OD2-NE 3.33Å; D131-R175 IonicContact OD2-NH2 3.46Å; D131-R175 PolarHBondContact OD2-NH2 3.42Å; R175-V177 PolarHBondContact O-N 3.5Å
176	R	67.5	Low	50.3	Low	171 Å²	171	105.7 Å²	105.7	65%	0.645	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	123	173	-150.8	176.2	89.2	164.2	7.2	109.4	H76 W77 R178	H76-R176 CarbonylContact O-C 3.51Å; H76-R176 VanDerWaalsContact O-CA 3.32Å; H76-R176 WeakPolarHBondContact O-CA 2.83Å; H76-R176 WeakPolarHBondContact O-CG 3Å; W77-R176 HydrophobicContact CD2-CB 4.38Å; W77-R176 HydrophobicContact CD2-CG 4.28Å; W77-R176 VanDerWaalsContact CE3-CA 3.5Å; W77-R176 HydrophobicContact CE3-CB 3.91Å; W77-R176 HydrophobicContact CE3-CG 4.3Å; W77-R176 HydrophobicContact CH2-CB 3.98Å; W77-R176 HydrophobicContact CH2-CG 4.15Å; W77-R176 HydrophobicContact CZ2-CB 4.42Å; W77-R176 HydrophobicContact CZ2-CG 4.1Å; W77-R176 HydrophobicContact CZ3-CB 3.72Å; W77-R176 HydrophobicContact CZ3-CG 4.27Å; R176-R178 PolarHBondContact O-N 3.36Å; R176-R178 VanDerWaalsContact O-N 3.08Å
177	V	58.6	Low	50.3	Low	55 Å²	55	104.4 Å²	104.4	33%	0.333	53%	0.529	S	S	.	.			trans	-61.1	114.6	172.9	-178.9	0	0	0	0	106.5	H76 E78 R175 D179	H76-V177 HydrophobicContact CB-CB 4Å; H76-V177 PolarHBondContact O-N 2.93Å; E78-V177 HydrophobicContact CB-CG2 4.07Å; R175-V177 PolarHBondContact O-N 3.5Å; V177-D179 PolarHBondContact O-N 3.19Å
178	R	47.1	Very low	49.6	Very low	197 Å²	197	99.9 Å²	99.9	74%	0.743	52%	0.522	S	S	*	.			trans	-84.6	107.7	165.6	-64.9	-175.5	-150	175.5	4.5	104.9	R176 S180	R176-R178 PolarHBondContact O-N 3.36Å; R176-R178 VanDerWaalsContact O-N 3.08Å; R178-S180 PolarHBondContact O-N 3.38Å; R178-S180 VanDerWaalsContact O-N 3.08Å
179	D	37.4	Very low	49.2	Very low	112 Å²	112	105.8 Å²	105.8	60%	0.599	54%	0.544	S	S	*	.			trans	-54.9	121.9	170.5	-67.6	-28	0	0	0	108.2	H76 V177 E181	H76-D179 IonicContact CE1-OD1 2.72Å; H76-D179 PolarHBondContact CE1-OD1 2.73Å; H76-D179 IonicContact CE1-OD2 3.43Å; H76-D179 PolarHBondContact CE1-OD2 3.15Å; H76-D179 IonicContact ND1-OD1 3.4Å; H76-D179 PolarHBondContact ND1-OD1 2.81Å; H76-D179 IonicContact ND1-OD2 3.51Å; H76-D179 PolarHBondContact ND1-OD2 2.84Å; H76-D179 IonicContact NE2-OD2 2.63Å; V177-D179 PolarHBondContact O-N 3.19Å; D179-E181 PolarHBondContact O-N 3.05Å
180	S	34.8	Very low	48.7	Very low	107 Å²	107	105.3 Å²	105.3	75%	0.748	56%	0.555	S	S	*	*			trans	-55.3	124.7	178.1	-50.9	0	0	0	0	108.9	R178 S182	R178-S180 PolarHBondContact O-N 3.38Å; R178-S180 VanDerWaalsContact O-N 3.08Å; S180-S182 PolarHBondContact O-N 2.94Å
181	E	29.7	Very low	48.5	Very low	194 Å²	194	107 Å²	107	91%	0.907	57%	0.568	S	S	*	*	S	Bend	trans	26.4	87.8	151.6	-63	-176.8	150	0	0	117.5	D179	D179-E181 PolarHBondContact O-N 3.05Å
182	S	32.2	Very low	48.9	Very low	101 Å²	101	114.6 Å²	114.6	71%	0.706	60%	0.596	S	S	*	*			trans	-167.9	119.3	144.1	56.9	0	0	0	0	111.6	S180	S180-S182 PolarHBondContact O-N 2.94Å
183	H	30.5	Very low	49.4	Very low	174 Å²	174	116.8 Å²	116.8	81%	0.806	61%	0.609	S	S	*	*			trans	44.4	124	136.8	-66.6	-67.1	0	0	0	121.2
184	L	33.7	Very low	50	Low	140 Å²	140	118.8 Å²	118.8	73%	0.733	62%	0.618	S	S	*	*			trans	80.1	111.7	145.4	-85.9	78.5	0	0	0	119.7
185	H	34.1	Very low	50.3	Low	186 Å²	186	124.8 Å²	124.8	86%	0.861	64%	0.64	S	S	*	*			trans	57	110.8	135	-64.9	-63.1	0	0	0	121.2
186	G	29.3	Very low	51	Low	61 Å²	61	123.8 Å²	123.8	63%	0.629	64%	0.637	S	S	*	*			trans	165.3	127.9	154.1	0	0	0	0	0	111.1	S188	G186-S188 PolarHBondContact O-N 3.22Å
187	P	33.6	Very low	52.2	Low	137 Å²	137	118.9 Å²	118.9	89%	0.89	62%	0.621	S	S	*	*			trans	-81.8	113.5	-139.6	32.1	-33.9	0	0	0	113.7
188	S	31.7	Very low	53.9	Low	101 Å²	101	116.3 Å²	116.3	71%	0.706	61%	0.606	S	S	*	*			trans	-98.7	136.3	162.3	-53.5	0	0	0	0	108.2	G186 S190	G186-S188 PolarHBondContact O-N 3.22Å; S188-S190 VanDerWaalsContact C-N 3.27Å; S188-S190 PolarHBondContact O-N 2.88Å
189	F	31.1	Very low	56	Low	215 Å²	215	113.7 Å²	113.7	94%	0.943	60%	0.602	S	S	*	*			trans	-60.3	82	175.6	-74.8	-99.4	0	0	0	111.2
190	S	38.8	Very low	58.6	Low	101 Å²	101	110.9 Å²	110.9	71%	0.706	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-100	118.4	-179	67.3	0	0	0	0	110.5	S188 R192	S188-S190 VanDerWaalsContact C-N 3.27Å; S188-S190 PolarHBondContact O-N 2.88Å; S190-R192 PolarHBondContact O-N 3.32Å
191	S	56.6	Low	61	Low	56 Å²	56	107.6 Å²	107.6	39%	0.392	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-53.1	128.1	161.5	-47.6	0	0	0	0	109.3	Q279	S191-Q279 PolarHBondContact OG-NE2 2.89Å
192	R	79.7	Confident	63.6	Low	171 Å²	171	106.8 Å²	106.8	65%	0.645	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-80.4	124	-176.9	-171.7	-179.3	-177.9	-176.3	-4.4	109.7	S190 E194 K280	S190-R192 PolarHBondContact O-N 3.32Å; R192-E194 HydrophobicContact CG-CG 4.21Å; R192-E194 IonicContact CZ-OE1 3.56Å; R192-E194 IonicContact NE-OE1 3.15Å; R192-E194 PolarHBondContact NE-OE1 3.38Å; R192-E194 VanDerWaalsContact NE-OE1 3.1Å; R192-E194 IonicContact NH1-OE1 3.93Å; R192-E194 PolarHBondContact NH1-OE1 3.12Å; R192-E194 IonicContact NH2-OE1 2.68Å; R192-E194 PolarHBondContact NH2-OE1 3.21Å; R192-K280 HydrophobicContact CB-CB 4.4Å; R192-K280 WeakPolarHBondContact O-CB 3.21Å; R192-K280 WeakPolarHBondContact O-CG 3.29Å; R192-K280 PolarHBondContact O-N 2.82Å
193	I	87.6	Confident	65.9	Low	94 Å²	94	107.9 Å²	107.9	48%	0.482	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.7	129.5	171.2	-59.5	173.7	0	0	0	108.6	L248 L277 V278 Q279	I193-L248 HydrophobicContact CD1-CD1 3.82Å; I193-L248 HydrophobicContact CG1-CD1 4.06Å; I193-L248 HydrophobicContact CG2-CD1 4.08Å; I193-L277 HydrophobicContact CG2-CD1 3.68Å; I193-L277 HydrophobicContact CG2-CD2 4.38Å; I193-L277 HydrophobicContact CG2-CG 3.81Å; I193-V278 CarbonylContact C-O 3.49Å; I193-V278 WeakPolarHBondContact CA-O 3.31Å; I193-Q279 HydrophobicContact CG1-CB 4.34Å; I193-Q279 HydrophobicContact CG1-CG 4.45Å
194	E	90	Very high	68.7	Low	44 Å²	44	101 Å²	101	21%	0.206	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.2	178.3	-69.8	-170.2	169.1	0	0	111.4	R192 V278 K280	R192-E194 HydrophobicContact CG-CG 4.21Å; R192-E194 IonicContact CZ-OE1 3.56Å; R192-E194 IonicContact NE-OE1 3.15Å; R192-E194 PolarHBondContact NE-OE1 3.38Å; R192-E194 VanDerWaalsContact NE-OE1 3.1Å; R192-E194 IonicContact NH1-OE1 3.93Å; R192-E194 PolarHBondContact NH1-OE1 3.12Å; R192-E194 IonicContact NH2-OE1 2.68Å; R192-E194 PolarHBondContact NH2-OE1 3.21Å; E194-V278 PolarHBondContact N-O 3.09Å; E194-V278 PolarHBondContact O-N 2.98Å; E194-K280 HydrophobicContact CB-CD 4.46Å; E194-K280 HydrophobicContact CB-CG 4.29Å; E194-K280 HydrophobicContact CG-CD 4.41Å; E194-K280 HydrophobicContact CG-CG 3.91Å
195	R	92.9	Very high	71.5	Confident	182 Å²	182	95.2 Å²	95.2	69%	0.687	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.5	171.3	-175.6	179.9	178	124.4	-0.2	108.3	V275 L276 L277	R195-V275 HydrophobicContact CG-CG1 3.61Å; R195-V275 VanDerWaalsContact NE-CG1 3.29Å; R195-L276 CarbonylContact C-O 3.52Å; R195-L276 WeakPolarHBondContact CA-O 3.27Å; R195-L277 HydrophobicContact CB-CD1 4.49Å
196	I	93.7	Very high	74.3	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.2	-179	-58	-179.5	0	0	0	108.2	L198 R240 L241 V275 L276 V278	I196-L198 HydrophobicContact CG2-CD2 3.93Å; I196-L198 HydrophobicContact CG2-CG 4.05Å; I196-R240 HydrophobicContact CD1-CB 3.82Å; I196-R240 HydrophobicContact CG1-CB 4.16Å; I196-R240 HydrophobicContact CG2-CB 4.34Å; I196-L241 HydrophobicContact CD1-CB 4.11Å; I196-L241 HydrophobicContact CD1-CD1 3.93Å; I196-V275 CarbonylContact O-C 3.53Å; I196-V275 WeakPolarHBondContact O-CA 3.44Å; I196-L276 PolarHBondContact N-O 3.41Å; I196-L276 PolarHBondContact O-N 3.11Å; I196-V278 HydrophobicContact CD1-CB 4.25Å; I196-V278 HydrophobicContact CD1-CG2 3.99Å; I196-V278 HydrophobicContact CG1-CG2 4.26Å
197	E	93.9	Very high	77.5	Confident	68 Å²	68	84.7 Å²	84.7	32%	0.318	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.7	178.2	-177.9	159	-128	0	0	109	R240 R273 V274 V275	E197-R240 PolarHBondContact O-NH2 3.41Å; E197-R273 HydrophobicContact CG-CG 4.18Å; E197-R273 IonicContact OE1-CZ 3.72Å; E197-R273 IonicContact OE1-NE 3.88Å; E197-R273 PolarHBondContact OE1-NE 3.37Å; E197-R273 IonicContact OE1-NH2 3.87Å; E197-R273 PolarHBondContact OE1-NH2 3.2Å; E197-R273 IonicContact OE2-CZ 3.19Å; E197-R273 IonicContact OE2-NE 3.01Å; E197-R273 IonicContact OE2-NH2 2.94Å; E197-R273 PolarHBondContact OE2-NH2 3.47Å; E197-V274 WeakPolarHBondContact CA-O 3.23Å; E197-V275 HydrophobicContact CG-CG2 4.38Å
198	L	93.5	Very high	80.4	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.01	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.7	-178.8	-62.5	-179.2	0	0	0	110.1	I196 L205 F207 A235 D238 V274 L276	I196-L198 HydrophobicContact CG2-CD2 3.93Å; I196-L198 HydrophobicContact CG2-CG 4.05Å; L198-L205 HydrophobicContact CB-CD2 4.01Å; L198-L205 HydrophobicContact CD1-CD2 4.37Å; L198-F207 HydrophobicContact CD1-CD1 4.23Å; L198-F207 HydrophobicContact CD1-CE1 3.86Å; L198-A235 HydrophobicContact CD1-CB 3.92Å; L198-D238 HydrophobicContact CD2-CB 3.34Å; L198-V274 PolarHBondContact N-O 3.1Å; L198-V274 PolarHBondContact O-N 3.4Å; L198-L276 HydrophobicContact CD1-CD1 3.93Å
199	Q	91.4	Very high	83.4	Confident	142 Å²	142	76.9 Å²	76.9	66%	0.664	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	121	168.4	-169.2	151.8	0.1	0	0	109	G201 A234 D272	Q199-G201 PolarHBondContact O-N 3.31Å; Q199-A234 WeakPolarHBondContact O-CB 3.23Å; Q199-D272 CarbonylContact C-O 3.55Å; Q199-D272 WeakPolarHBondContact CA-O 3.39Å
200	K	90.9	Very high	86.3	Confident	53 Å²	53	67.6 Å²	67.6	23%	0.23	35%	0.351	C	S	.	.			trans	-55.5	123.2	-179.5	-72	-176.4	179.7	-179.9	0	109.6	L205 K268 T270 A271 D272 V274	K200-L205 HydrophobicContact CG-CD2 3.74Å; K200-L205 HydrophobicContact CG-CG 4.05Å; K200-K268 PolarHBondContact NZ-O 2.81Å; K200-T270 WeakPolarHBondContact CE-OG1 3.08Å; K200-T270 PolarHBondContact NZ-O 3.45Å; K200-T270 PolarHBondContact NZ-OG1 3.48Å; K200-A271 WeakPolarHBondContact CD-O 3.32Å; K200-A271 VanDerWaalsContact CE-O 3.31Å; K200-A271 WeakPolarHBondContact CE-O 3.13Å; K200-D272 PolarHBondContact N-O 3.42Å; K200-V274 HydrophobicContact CD-CG2 4.44Å; K200-V274 HydrophobicContact CG-CG2 4.18Å
201	G	86.1	Confident	88.8	Confident	37 Å²	37	62.9 Å²	62.9	38%	0.381	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-94.3	-170.1	172.2	0	0	0	0	0	111.6	Q199 K203 G204	Q199-G201 PolarHBondContact O-N 3.31Å; G201-K203 PolarHBondContact O-N 3.46Å; G201-G204 PolarHBondContact N-O 2.62Å; G201-G204 WeakPolarHBondContact O-CA 3.4Å; G201-G204 PolarHBondContact O-N 2.89Å
202	N	83.4	Confident	90.3	Very high	178 Å²	178	60.2 Å²	60.2	95%	0.952	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.3	177.8	-58.2	0.6	0	0	0	112.9
203	K	81.6	Confident	90.4	Very high	124 Å²	124	55.4 Å²	55.4	54%	0.539	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	23.5	175.1	-57.5	-175	-176.3	-178.4	0	112.7	G201 I230 D231	G201-K203 PolarHBondContact O-N 3.46Å; K203-I230 HydrophobicContact CD-CG2 3.99Å; K203-D231 PolarHBondContact NZ-O 3.42Å
204	G	89.2	Confident	89.8	Confident	28 Å²	28	53.3 Å²	53.3	29%	0.289	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	67.4	-140.4	-174.8	0	0	0	0	0	112.3	G201 G206	G201-G204 PolarHBondContact N-O 2.62Å; G201-G204 WeakPolarHBondContact O-CA 3.4Å; G201-G204 PolarHBondContact O-N 2.89Å; G204-G206 VanDerWaalsContact C-N 3.27Å; G204-G206 PolarHBondContact O-N 2.91Å
205	L	92.4	Very high	89.3	Confident	20 Å²	20	54.7 Å²	54.7	11%	0.105	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16	179.3	-69.7	171.8	0	0	0	113.9	L198 K200 F207 A235 L267 V274	L198-L205 HydrophobicContact CB-CD2 4.01Å; L198-L205 HydrophobicContact CD1-CD2 4.37Å; K200-L205 HydrophobicContact CG-CD2 3.74Å; K200-L205 HydrophobicContact CG-CG 4.05Å; L205-F207 HydrophobicContact CB-CD1 3.91Å; L205-F207 HydrophobicContact CB-CE1 3.55Å; L205-F207 HydrophobicContact CB-CZ 4.3Å; L205-F207 HydrophobicContact CD1-CE1 4.12Å; L205-F207 HydrophobicContact CD1-CZ 4.17Å; L205-F207 HydrophobicContact CG-CE1 4.35Å; L205-A235 WeakPolarHBondContact O-CB 3.23Å; L205-A235 PolarHBondContact O-N 3.07Å; L205-L267 HydrophobicContact CD1-CD2 3.79Å; L205-V274 HydrophobicContact CD1-CG1 4.29Å; L205-V274 HydrophobicContact CD2-CB 3.77Å; L205-V274 HydrophobicContact CD2-CG1 4.25Å; L205-V274 HydrophobicContact CD2-CG2 3.67Å
206	G	93.8	Very high	88.9	Confident	2 Å²	2	50 Å²	50	2%	0.021	29%	0.285	C	S	.	.	S	Bend	trans	78.5	25.3	172.8	0	0	0	0	0	116	G204 I230	G204-G206 VanDerWaalsContact C-N 3.27Å; G204-G206 PolarHBondContact O-N 2.91Å; G206-I230 WeakPolarHBondContact O-CB 3.24Å; G206-I230 PolarHBondContact O-N 2.96Å
207	F	95.7	Very high	88.4	Confident	23 Å²	23	54 Å²	54	10%	0.101	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.7	172.4	64	-91.2	0	0	0	111.8	L198 L205 I209 V226 K228 I229 A235 L241 L247 L267 L276	L198-F207 HydrophobicContact CD1-CD1 4.23Å; L198-F207 HydrophobicContact CD1-CE1 3.86Å; L205-F207 HydrophobicContact CB-CD1 3.91Å; L205-F207 HydrophobicContact CB-CE1 3.55Å; L205-F207 HydrophobicContact CB-CZ 4.3Å; L205-F207 HydrophobicContact CD1-CE1 4.12Å; L205-F207 HydrophobicContact CD1-CZ 4.17Å; L205-F207 HydrophobicContact CG-CE1 4.35Å; F207-I209 HydrophobicContact CD2-CG2 3.8Å; F207-I209 HydrophobicContact CE2-CG2 3.56Å; F207-V226 HydrophobicContact CB-CG1 4.09Å; F207-V226 HydrophobicContact CD2-CG1 4.44Å; F207-V226 HydrophobicContact CD2-CG2 4.23Å; F207-K228 CarbonylContact C-O 3.38Å; F207-K228 WeakPolarHBondContact CA-O 3.29Å; F207-K228 WeakPolarHBondContact CB-O 3.37Å; F207-I229 HydrophobicContact CB-CD1 3.78Å; F207-A235 HydrophobicContact CB-CB 4.21Å; F207-A235 HydrophobicContact CD1-CB 3.78Å; F207-A235 HydrophobicContact CG-CB 4.46Å; F207-L241 HydrophobicContact CB-CD2 4.02Å; F207-L241 HydrophobicContact CD1-CD2 3.38Å; F207-L241 HydrophobicContact CD2-CD2 4.07Å; F207-L241 HydrophobicContact CE1-CD2 3.69Å; F207-L241 HydrophobicContact CE2-CD2 4.39Å; F207-L241 HydrophobicContact CG-CD2 3.56Å; F207-L241 HydrophobicContact CZ-CD2 4.2Å; F207-L247 HydrophobicContact CE2-CD1 3.65Å; F207-L247 HydrophobicContact CZ-CD1 4.11Å; F207-L267 HydrophobicContact CE2-CD1 4.33Å; F207-L267 HydrophobicContact CE2-CD2 4.28Å; F207-L267 HydrophobicContact CZ-CD2 3.8Å; F207-L276 HydrophobicContact CE1-CD1 3.68Å; F207-L276 HydrophobicContact CZ-CD1 3.65Å
208	S	95	Very high	87.6	Confident	48 Å²	48	53.5 Å²	53.5	34%	0.336	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.7	173.3	-60.5	0	0	0	0	110.4	V226 T227 K228	S208-V226 CarbonylContact O-C 3.51Å; S208-V226 WeakPolarHBondContact O-CA 3.49Å; S208-T227 PolarHBondContact O-N 3.33Å; S208-T227 PolarHBondContact O-OG1 2.88Å; S208-K228 PolarHBondContact N-O 3.46Å
209	I	94.9	Very high	86	Confident	26 Å²	26	57.5 Å²	57.5	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	154.5	175.4	58.6	159.1	0	0	0	111.7	F207 I224 Y225 L247 A263 V264 L267	F207-I209 HydrophobicContact CD2-CG2 3.8Å; F207-I209 HydrophobicContact CE2-CG2 3.56Å; I209-I224 HydrophobicContact CB-CG2 3.79Å; I209-I224 HydrophobicContact CD1-CG2 3.63Å; I209-I224 HydrophobicContact CG1-CG2 4.31Å; I209-I224 HydrophobicContact CG2-CG2 3.96Å; I209-Y225 CarbonylContact C-O 3.48Å; I209-Y225 WeakPolarHBondContact CA-O 3.43Å; I209-L247 HydrophobicContact CG2-CD1 3.57Å; I209-A263 HydrophobicContact CD1-CB 3.95Å; I209-V264 HydrophobicContact CD1-CG2 3.84Å; I209-V264 HydrophobicContact CG1-CG2 4.31Å; I209-L267 HydrophobicContact CD1-CD1 3.54Å; I209-L267 HydrophobicContact CG1-CD1 4.17Å; I209-L267 HydrophobicContact CG2-CD1 4.02Å
210	A	91.3	Very high	85.3	Confident	21 Å²	21	58.1 Å²	58.1	17%	0.174	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	168.1	164.8	0	0	0	0	0	109.5	H217 I224 Y225 T227	A210-H217 HydrophobicContact CB-CB 3.79Å; A210-I224 CarbonylContact O-C 3.59Å; A210-I224 WeakPolarHBondContact O-CA 3.43Å; A210-Y225 PolarHBondContact N-O 2.95Å; A210-Y225 PolarHBondContact O-N 3.33Å; A210-T227 HydrophobicContact CB-CG2 3.36Å
211	G	91.5	Very high	84.8	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.6	-176.9	-179.7	0	0	0	0	0	113	N215 G223 I224 H260	G211-N215 CarbonylContact C-O 3.51Å; G211-N215 WeakPolarHBondContact CA-O 3.2Å; G211-G223 CarbonylContact C-O 3.51Å; G211-G223 VanDerWaalsContact CA-O 3.26Å; G211-G223 WeakPolarHBondContact CA-O 3.23Å; G211-I224 WeakPolarHBondContact O-CD1 3.44Å; G211-H260 VanDerWaalsContact O-CB 3.31Å; G211-H260 WeakPolarHBondContact O-CB 3.48Å; G211-H260 PolarHBondContact O-ND1 3.25Å
212	G	88.7	Confident	84.8	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.328	C	S	.	.			trans	114.1	164.6	-174.2	0	0	0	0	0	112.4	G214 N215 E216 S222 G223 V258	G212-G214 PolarHBondContact O-N 2.94Å; G212-N215 CarbonylContact O-C 3.5Å; G212-N215 PolarHBondContact O-N 2.68Å; G212-E216 PolarHBondContact O-N 3.48Å; G212-S222 WeakPolarHBondContact CA-O 3.5Å; G212-G223 PolarHBondContact N-O 2.95Å; G212-G223 VanDerWaalsContact N-O 3.11Å; G212-V258 CarbonylContact C-O 3.56Å; G212-V258 WeakPolarHBondContact CA-O 3.48Å
213	V	80.7	Confident	85.2	Confident	70 Å²	70	48.6 Å²	48.6	42%	0.424	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-60.1	125.9	-179.1	177.6	0	0	0	0	110.1	N215 N257 V258	V213-N215 VanDerWaalsContact C-N 3.27Å; V213-N215 PolarHBondContact O-N 2.95Å; V213-N257 HydrophobicContact CG2-CB 4.08Å; V213-N257 VanDerWaalsContact CG2-O 3.23Å; V213-N257 WeakPolarHBondContact CG2-O 3.34Å; V213-V258 PolarHBondContact N-O 3.04Å
214	G	75.8	Confident	85.8	Confident	50 Å²	50	42.7 Å²	42.7	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-2.2	-176.8	0	0	0	0	0	115.1	G212 R716	G212-G214 PolarHBondContact O-N 2.94Å; G214-R716 PolarHBondContact O-NH1 2.92Å; G214-R716 PolarHBondContact O-NH2 3.18Å
215	N	79.8	Confident	86.1	Confident	73 Å²	73	42.6 Å²	42.6	39%	0.39	25%	0.249	S	C	.	.	S	Bend	trans	-147.4	54.2	177.7	-162.2	28.9	0	0	0	111.7	G211 G212 V213 H260	G211-N215 CarbonylContact C-O 3.51Å; G211-N215 WeakPolarHBondContact CA-O 3.2Å; G212-N215 CarbonylContact O-C 3.5Å; G212-N215 PolarHBondContact O-N 2.68Å; V213-N215 VanDerWaalsContact C-N 3.27Å; V213-N215 PolarHBondContact O-N 2.95Å; N215-H260 HydrophobicContact CB-CB 4.39Å
216	E	83.4	Confident	86.3	Confident	84 Å²	84	41.6 Å²	41.6	39%	0.393	24%	0.244	S	C	.	.			trans	-62.1	134.3	-174.8	-54	-171.1	150.8	0	0	111.9	G212 N220 S222	G212-E216 PolarHBondContact O-N 3.48Å; E216-N220 VanDerWaalsContact OE2-CA 3.31Å; E216-N220 WeakPolarHBondContact OE2-CA 3.26Å; E216-N220 PolarHBondContact OE2-N 3.06Å; E216-S222 PolarHBondContact OE1-OG 3.35Å
217	H	82.7	Confident	86.2	Confident	85 Å²	85	43.9 Å²	43.9	39%	0.394	26%	0.258	S	S	.	.	S	Bend	trans	-92.6	-35.4	177.5	178.6	61	0	0	0	112	A210 Y225	A210-H217 HydrophobicContact CB-CB 3.79Å; H217-Y225 HydrophobicContact CB-CD2 4.26Å; H217-Y225 AromaticContact CD2-CG 4Å
218	V	77.5	Confident	86.1	Confident	56 Å²	56	48.8 Å²	48.8	34%	0.339	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-106.3	128.5	170.9	175.1	0	0	0	0	106.4	N220 D221 Y225	V218-N220 PolarHBondContact O-N 3.4Å; V218-D221 HydrophobicContact CB-CB 4.03Å; V218-D221 HydrophobicContact CG1-CB 4.12Å; V218-D221 PolarHBondContact O-N 3.48Å; V218-Y225 HydrophobicContact CB-CE2 4.02Å; V218-Y225 HydrophobicContact CG2-CD1 4.26Å; V218-Y225 HydrophobicContact CG2-CD2 4.07Å; V218-Y225 HydrophobicContact CG2-CE1 3.88Å; V218-Y225 HydrophobicContact CG2-CE2 3.7Å; V218-Y225 HydrophobicContact CG2-CG 4.33Å
219	P	60.6	Low	86	Confident	86 Å²	86	48 Å²	48	56%	0.558	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	130.6	-177.3	-26	33.7	0	0	0	112.1	D221	P219-D221 PolarHBondContact O-N 3.16Å
220	N	75.7	Confident	85.8	Confident	156 Å²	156	49.3 Å²	49.3	83%	0.834	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	16	-177.1	-53.6	-50	0	0	0	114.9	E216 V218	E216-N220 VanDerWaalsContact OE2-CA 3.31Å; E216-N220 WeakPolarHBondContact OE2-CA 3.26Å; E216-N220 PolarHBondContact OE2-N 3.06Å; V218-N220 PolarHBondContact O-N 3.4Å
221	D	82	Confident	85.7	Confident	44 Å²	44	53.8 Å²	53.8	24%	0.235	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-123.3	106.4	171.4	-165	-28.5	0	0	0	110.6	V218 P219 G223 Y225 K246	V218-D221 HydrophobicContact CB-CB 4.03Å; V218-D221 HydrophobicContact CG1-CB 4.12Å; V218-D221 PolarHBondContact O-N 3.48Å; P219-D221 PolarHBondContact O-N 3.16Å; D221-G223 PolarHBondContact O-N 3.44Å; D221-G223 WeakPolarHBondContact OD1-CA 3.5Å; D221-G223 PolarHBondContact OD1-N 3.05Å; D221-Y225 PolarHBondContact OD2-OH 2.97Å; D221-K246 IonicContact OD1-NZ 3.66Å; D221-K246 PolarHBondContact OD1-NZ 3.06Å; D221-K246 IonicContact OD2-NZ 3.99Å; D221-K246 PolarHBondContact OD2-NZ 2.91Å
222	S	86	Confident	85.6	Confident	21 Å²	21	56.3 Å²	56.3	15%	0.147	32%	0.324	C	S	.	.			trans	-73	16.2	174.2	-74.1	0	0	0	0	114.1	G212 E216	G212-S222 WeakPolarHBondContact CA-O 3.5Å; E216-S222 PolarHBondContact OE1-OG 3.35Å
223	G	90.3	Very high	85.7	Confident	3 Å²	3	56.4 Å²	56.4	3%	0.031	33%	0.325	C	S	.	.			trans	-70.4	161.5	175.9	0	0	0	0	0	114.7	G211 G212 D221	G211-G223 CarbonylContact C-O 3.51Å; G211-G223 VanDerWaalsContact CA-O 3.26Å; G211-G223 WeakPolarHBondContact CA-O 3.23Å; G212-G223 PolarHBondContact N-O 2.95Å; G212-G223 VanDerWaalsContact N-O 3.11Å; D221-G223 PolarHBondContact O-N 3.44Å; D221-G223 WeakPolarHBondContact OD1-CA 3.5Å; D221-G223 PolarHBondContact OD1-N 3.05Å
224	I	95.4	Very high	86.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.1	173.6	-55.7	-61.5	0	0	0	108.8	I209 A210 G211 K246 L247 L255 V258 A263	I209-I224 HydrophobicContact CB-CG2 3.79Å; I209-I224 HydrophobicContact CD1-CG2 3.63Å; I209-I224 HydrophobicContact CG1-CG2 4.31Å; I209-I224 HydrophobicContact CG2-CG2 3.96Å; A210-I224 CarbonylContact O-C 3.59Å; A210-I224 WeakPolarHBondContact O-CA 3.43Å; G211-I224 WeakPolarHBondContact O-CD1 3.44Å; I224-K246 CarbonylContact O-C 3.58Å; I224-K246 WeakPolarHBondContact O-CA 3.33Å; I224-L247 HydrophobicContact CB-CB 4.38Å; I224-L247 HydrophobicContact CG2-CB 4.31Å; I224-L247 HydrophobicContact CG2-CD1 4.21Å; I224-L247 PolarHBondContact O-N 3.4Å; I224-L255 HydrophobicContact CG1-CB 4.17Å; I224-V258 HydrophobicContact CD1-CG2 4.29Å; I224-V258 HydrophobicContact CG1-CG2 4.2Å; I224-A263 HydrophobicContact CD1-CB 3.5Å; I224-A263 VanDerWaalsContact CD1-CB 3.5Å; I224-A263 HydrophobicContact CG1-CB 3.66Å; I224-A263 HydrophobicContact CG2-CB 4.27Å
225	Y	95.6	Very high	87.3	Confident	25 Å²	25	51.3 Å²	51.3	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.3	-174.6	-70.7	-93.2	0	0	0	111.9	I209 A210 H217 V218 D221 T227 D245 K246	I209-Y225 CarbonylContact C-O 3.48Å; I209-Y225 WeakPolarHBondContact CA-O 3.43Å; A210-Y225 PolarHBondContact N-O 2.95Å; A210-Y225 PolarHBondContact O-N 3.33Å; H217-Y225 HydrophobicContact CB-CD2 4.26Å; H217-Y225 AromaticContact CD2-CG 4Å; V218-Y225 HydrophobicContact CB-CE2 4.02Å; V218-Y225 HydrophobicContact CG2-CD1 4.26Å; V218-Y225 HydrophobicContact CG2-CD2 4.07Å; V218-Y225 HydrophobicContact CG2-CE1 3.88Å; V218-Y225 HydrophobicContact CG2-CE2 3.7Å; V218-Y225 HydrophobicContact CG2-CG 4.33Å; D221-Y225 PolarHBondContact OD2-OH 2.97Å; Y225-T227 PolarHBondContact O-N 3.15Å; Y225-D245 WeakPolarHBondContact CA-O 3.35Å; Y225-K246 HydrophobicContact CD1-CB 3.94Å; Y225-K246 HydrophobicContact CD1-CG 4.45Å; Y225-K246 HydrophobicContact CE1-CB 3.71Å; Y225-K246 HydrophobicContact CE1-CD 4.15Å; Y225-K246 HydrophobicContact CE1-CG 4.08Å; Y225-K246 HydrophobicContact CE2-CD 4.41Å; Y225-K246 HydrophobicContact CE2-CG 4.44Å
226	V	95.2	Very high	88	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.3	172.3	-179.1	0	0	0	0	109.4	F207 S208 I229 L241 G244 D245 L247	F207-V226 HydrophobicContact CB-CG1 4.09Å; F207-V226 HydrophobicContact CD2-CG1 4.44Å; F207-V226 HydrophobicContact CD2-CG2 4.23Å; S208-V226 CarbonylContact O-C 3.51Å; S208-V226 WeakPolarHBondContact O-CA 3.49Å; V226-I229 HydrophobicContact CG1-CD1 3.71Å; V226-I229 HydrophobicContact CG1-CG1 4.5Å; V226-L241 HydrophobicContact CG1-CD2 4.42Å; V226-L241 HydrophobicContact CG2-CD1 3.98Å; V226-L241 HydrophobicContact CG2-CD2 3.93Å; V226-L241 HydrophobicContact CG2-CG 4.01Å; V226-G244 PolarHBondContact O-N 3.22Å; V226-D245 HydrophobicContact CG2-CB 4.35Å; V226-D245 PolarHBondContact N-O 3.46Å; V226-L247 HydrophobicContact CG2-CD1 4.41Å; V226-L247 HydrophobicContact CG2-CD2 4Å; V226-L247 HydrophobicContact CG2-CG 4.1Å
227	T	92.2	Very high	88.5	Confident	50 Å²	50	53.7 Å²	53.7	31%	0.307	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-20.1	-178	52.4	0	0	0	0	114	S208 A210 Y225 V243	S208-T227 PolarHBondContact O-N 3.33Å; S208-T227 PolarHBondContact O-OG1 2.88Å; A210-T227 HydrophobicContact CB-CG2 3.36Å; Y225-T227 PolarHBondContact O-N 3.15Å; T227-V243 WeakPolarHBondContact O-CG1 3.18Å
228	K	93.6	Very high	89	Confident	126 Å²	126	52.2 Å²	52.2	55%	0.548	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	139.8	179.2	-172.6	171.4	-178.3	172.4	0	109.9	F207 S208	F207-K228 CarbonylContact C-O 3.38Å; F207-K228 WeakPolarHBondContact CA-O 3.29Å; F207-K228 WeakPolarHBondContact CB-O 3.37Å; S208-K228 PolarHBondContact N-O 3.46Å
229	I	93.3	Very high	89.7	Confident	31 Å²	31	51.7 Å²	51.7	16%	0.159	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.2	163.9	-59.8	-60.5	0	0	0	107.5	F207 V226 A235 Q236 L241 V243	F207-I229 HydrophobicContact CB-CD1 3.78Å; V226-I229 HydrophobicContact CG1-CD1 3.71Å; V226-I229 HydrophobicContact CG1-CG1 4.5Å; I229-A235 HydrophobicContact CD1-CB 4.14Å; I229-Q236 HydrophobicContact CG2-CB 3.56Å; I229-Q236 HydrophobicContact CG2-CG 4Å; I229-L241 HydrophobicContact CD1-CB 4.35Å; I229-L241 HydrophobicContact CD1-CD2 4.11Å; I229-L241 HydrophobicContact CD1-CG 4.17Å; I229-V243 HydrophobicContact CG1-CG2 4.01Å
230	I	90.1	Very high	91.3	Very high	54 Å²	54	52.4 Å²	52.4	28%	0.277	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-88.4	130	-175.5	-60	176.3	0	0	0	109.6	K203 G206 G232 G233	K203-I230 HydrophobicContact CD-CG2 3.99Å; G206-I230 WeakPolarHBondContact O-CB 3.24Å; G206-I230 PolarHBondContact O-N 2.96Å; I230-G232 PolarHBondContact O-N 2.89Å; I230-G233 WeakPolarHBondContact O-CA 3.26Å; I230-G233 PolarHBondContact O-N 3.48Å
231	D	89.6	Confident	92.2	Very high	115 Å²	115	45.2 Å²	45.2	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	127.2	178.2	-67.2	-43.8	0	0	0	112.8	K203 G233 Q236	K203-D231 PolarHBondContact NZ-O 3.42Å; D231-G233 PolarHBondContact O-N 3.45Å; D231-Q236 PolarHBondContact OD1-NE2 2.83Å
232	G	88.7	Confident	92.7	Very high	53 Å²	53	48 Å²	48	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	12.6	-172.3	0	0	0	0	0	114.5	I230	I230-G232 PolarHBondContact O-N 2.89Å
233	G	91.2	Very high	93	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	28%	0.284	C	S	.	.	S	Bend	trans	-83.1	162.7	175.6	0	0	0	0	0	112.9	I230 D231 A235 Q236 V237	I230-G233 WeakPolarHBondContact O-CA 3.26Å; I230-G233 PolarHBondContact O-N 3.48Å; D231-G233 PolarHBondContact O-N 3.45Å; G233-A235 VanDerWaalsContact C-N 3.32Å; G233-A235 PolarHBondContact O-N 2.91Å; G233-Q236 PolarHBondContact O-N 3.5Å; G233-Q236 VanDerWaalsContact O-N 3.07Å; G233-V237 WeakPolarHBondContact O-CG2 3.19Å; G233-V237 PolarHBondContact O-N 3Å
234	A	94.7	Very high	93	Very high	14 Å²	14	51.4 Å²	51.4	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-41	-176.5	0	0	0	0	0	113.8	Q199 V237 D238	Q199-A234 WeakPolarHBondContact O-CB 3.23Å; A234-V237 PolarHBondContact O-N 3.29Å; A234-D238 WeakPolarHBondContact O-CB 3.38Å; A234-D238 PolarHBondContact O-N 2.9Å
235	A	95.5	Very high	92.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-35.6	176.5	0	0	0	0	0	114.1	L198 L205 F207 I229 G233 G239 L241	L198-A235 HydrophobicContact CD1-CB 3.92Å; L205-A235 WeakPolarHBondContact O-CB 3.23Å; L205-A235 PolarHBondContact O-N 3.07Å; F207-A235 HydrophobicContact CB-CB 4.21Å; F207-A235 HydrophobicContact CD1-CB 3.78Å; F207-A235 HydrophobicContact CG-CB 4.46Å; I229-A235 HydrophobicContact CD1-CB 4.14Å; G233-A235 VanDerWaalsContact C-N 3.32Å; G233-A235 PolarHBondContact O-N 2.91Å; A235-G239 PolarHBondContact O-N 2.77Å; A235-L241 HydrophobicContact CB-CB 4.29Å; A235-L241 HydrophobicContact CB-CD2 3.97Å
236	Q	95.1	Very high	92.9	Very high	86 Å²	86	52 Å²	52	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-70.8	-41.1	175.2	-161.9	-173.6	35.7	0	0	111.3	I229 D231 G233 D238 G239	I229-Q236 HydrophobicContact CG2-CB 3.56Å; I229-Q236 HydrophobicContact CG2-CG 4Å; D231-Q236 PolarHBondContact OD1-NE2 2.83Å; G233-Q236 PolarHBondContact O-N 3.5Å; G233-Q236 VanDerWaalsContact O-N 3.07Å; Q236-D238 VanDerWaalsContact C-N 3.33Å; Q236-D238 PolarHBondContact O-N 3.3Å; Q236-G239 PolarHBondContact O-N 3.33Å
237	V	93	Very high	92.9	Very high	120 Å²	120	52 Å²	52	73%	0.727	30%	0.295	S	S	*	.	H	α-helix	trans	-63.7	-39.1	178.5	173.4	0	0	0	0	111.2	G233 A234	G233-V237 WeakPolarHBondContact O-CG2 3.19Å; G233-V237 PolarHBondContact O-N 3Å; A234-V237 PolarHBondContact O-N 3.29Å
238	D	93.9	Very high	93	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	28%	0.284	S	S	.	.	H	α-helix	trans	-72	-36.4	173.4	-177.5	-92.9	0	0	0	112.6	L198 A234 Q236 R240	L198-D238 HydrophobicContact CD2-CB 3.34Å; A234-D238 WeakPolarHBondContact O-CB 3.38Å; A234-D238 PolarHBondContact O-N 2.9Å; Q236-D238 VanDerWaalsContact C-N 3.33Å; Q236-D238 PolarHBondContact O-N 3.3Å; D238-R240 PolarHBondContact O-N 3.28Å; D238-R240 VanDerWaalsContact O-N 3.15Å; D238-R240 WeakPolarHBondContact OD1-CB 3.18Å; D238-R240 WeakPolarHBondContact OD1-CG 3.49Å; D238-R240 IonicContact OD1-CZ 2.9Å; D238-R240 PolarHBondContact OD1-N 3.16Å; D238-R240 IonicContact OD1-NE 3.67Å; D238-R240 PolarHBondContact OD1-NE 2.8Å; D238-R240 IonicContact OD1-NH2 3.74Å; D238-R240 PolarHBondContact OD1-NH2 2.78Å; D238-R240 IonicContact OD2-CZ 3.84Å; D238-R240 IonicContact OD2-NE 3.42Å; D238-R240 PolarHBondContact OD2-NE 2.91Å; D238-R240 IonicContact OD2-NH2 2.74Å; D238-R240 PolarHBondContact OD2-NH2 3.4Å
239	G	92.3	Very high	93	Very high	46 Å²	46	45.2 Å²	45.2	47%	0.474	27%	0.265	S	S	.	.			trans	77.1	-9.6	170.9	0	0	0	0	0	116.1	A235 Q236	A235-G239 PolarHBondContact O-N 2.77Å; Q236-G239 PolarHBondContact O-N 3.33Å
240	R	94.5	Very high	93	Very high	101 Å²	101	43.9 Å²	43.9	38%	0.381	26%	0.258	S	S	.	.			trans	-79.7	-29.2	-179.2	-64.4	177.3	-71.1	177.2	-5.6	113.5	I196 E197 D238 K280	I196-R240 HydrophobicContact CD1-CB 3.82Å; I196-R240 HydrophobicContact CG1-CB 4.16Å; I196-R240 HydrophobicContact CG2-CB 4.34Å; E197-R240 PolarHBondContact O-NH2 3.41Å; D238-R240 PolarHBondContact O-N 3.28Å; D238-R240 VanDerWaalsContact O-N 3.15Å; D238-R240 WeakPolarHBondContact OD1-CB 3.18Å; D238-R240 WeakPolarHBondContact OD1-CG 3.49Å; D238-R240 IonicContact OD1-CZ 2.9Å; D238-R240 PolarHBondContact OD1-N 3.16Å; D238-R240 IonicContact OD1-NE 3.67Å; D238-R240 PolarHBondContact OD1-NE 2.8Å; D238-R240 IonicContact OD1-NH2 3.74Å; D238-R240 PolarHBondContact OD1-NH2 2.78Å; D238-R240 IonicContact OD2-CZ 3.84Å; D238-R240 IonicContact OD2-NE 3.42Å; D238-R240 PolarHBondContact OD2-NE 2.91Å; D238-R240 IonicContact OD2-NH2 2.74Å; D238-R240 PolarHBondContact OD2-NH2 3.4Å; R240-K280 PolarHBondContact O-NZ 3.19Å
241	L	95	Very high	92.8	Very high	4 Å²	4	43 Å²	43	2%	0.021	26%	0.263	C	S	.	.			trans	-84.5	129	178.9	-166.6	72.9	0	0	0	110.1	I196 F207 V226 I229 A235 D245 L247 L276 V278	I196-L241 HydrophobicContact CD1-CB 4.11Å; I196-L241 HydrophobicContact CD1-CD1 3.93Å; F207-L241 HydrophobicContact CB-CD2 4.02Å; F207-L241 HydrophobicContact CD1-CD2 3.38Å; F207-L241 HydrophobicContact CD2-CD2 4.07Å; F207-L241 HydrophobicContact CE1-CD2 3.69Å; F207-L241 HydrophobicContact CE2-CD2 4.39Å; F207-L241 HydrophobicContact CG-CD2 3.56Å; F207-L241 HydrophobicContact CZ-CD2 4.2Å; V226-L241 HydrophobicContact CG1-CD2 4.42Å; V226-L241 HydrophobicContact CG2-CD1 3.98Å; V226-L241 HydrophobicContact CG2-CD2 3.93Å; V226-L241 HydrophobicContact CG2-CG 4.01Å; I229-L241 HydrophobicContact CD1-CB 4.35Å; I229-L241 HydrophobicContact CD1-CD2 4.11Å; I229-L241 HydrophobicContact CD1-CG 4.17Å; A235-L241 HydrophobicContact CB-CB 4.29Å; A235-L241 HydrophobicContact CB-CD2 3.97Å; L241-D245 HydrophobicContact CD1-CB 4.27Å; L241-L247 HydrophobicContact CD1-CD2 4.08Å; L241-L276 HydrophobicContact CD2-CD1 4.32Å; L241-V278 HydrophobicContact CD1-CB 4.46Å; L241-V278 HydrophobicContact CD1-CG1 3.83Å; L241-V278 HydrophobicContact CD1-CG2 3.87Å
242	Q	92.8	Very high	92.5	Very high	102 Å²	102	45.9 Å²	45.9	48%	0.477	28%	0.278	S	S	.	.			trans	-121	157.8	-178.4	-66.6	179.4	4	0	0	111.3	G244 D245	Q242-G244 PolarHBondContact O-N 2.91Å; Q242-D245 PolarHBondContact N-OD2 2.84Å; Q242-D245 WeakPolarHBondContact O-CB 3.45Å; Q242-D245 PolarHBondContact O-N 2.85Å
243	V	91.2	Very high	92.2	Very high	79 Å²	79	46.7 Å²	46.7	48%	0.479	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	133.6	170.4	178.3	0	0	0	0	108.8	T227 I229	T227-V243 WeakPolarHBondContact O-CG1 3.18Å; I229-V243 HydrophobicContact CG1-CG2 4.01Å
244	G	89.7	Confident	92	Very high	18 Å²	18	49.1 Å²	49.1	19%	0.186	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-7.6	-177.5	0	0	0	0	0	115.2	V226 Q242 Q281	V226-G244 PolarHBondContact O-N 3.22Å; Q242-G244 PolarHBondContact O-N 2.91Å; G244-Q281 VanDerWaalsContact CA-OE1 3.25Å
245	D	94.2	Very high	91.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.3	139.4	169.8	-76.1	-16.5	0	0	0	111.3	Y225 V226 L241 Q242 V278 K280 Q281	Y225-D245 WeakPolarHBondContact CA-O 3.35Å; V226-D245 HydrophobicContact CG2-CB 4.35Å; V226-D245 PolarHBondContact N-O 3.46Å; L241-D245 HydrophobicContact CD1-CB 4.27Å; Q242-D245 PolarHBondContact N-OD2 2.84Å; Q242-D245 WeakPolarHBondContact O-CB 3.45Å; Q242-D245 PolarHBondContact O-N 2.85Å; D245-V278 HydrophobicContact CB-CG1 3.52Å; D245-K280 WeakPolarHBondContact OD1-CA 3.45Å; D245-K280 IonicContact OD1-NZ 2.72Å; D245-K280 PolarHBondContact OD1-NZ 2.78Å; D245-K280 IonicContact OD2-NZ 3.3Å; D245-K280 PolarHBondContact OD2-NZ 3.01Å; D245-Q281 PolarHBondContact OD1-N 3.09Å
246	K	94.9	Very high	91.4	Very high	36 Å²	36	54.6 Å²	54.6	16%	0.157	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.6	177.8	-179	177.5	-177	160.1	0	110.7	D221 I224 Y225 L248 V278 Q279	D221-K246 IonicContact OD1-NZ 3.66Å; D221-K246 PolarHBondContact OD1-NZ 3.06Å; D221-K246 IonicContact OD2-NZ 3.99Å; D221-K246 PolarHBondContact OD2-NZ 2.91Å; I224-K246 CarbonylContact O-C 3.58Å; I224-K246 WeakPolarHBondContact O-CA 3.33Å; Y225-K246 HydrophobicContact CD1-CB 3.94Å; Y225-K246 HydrophobicContact CD1-CG 4.45Å; Y225-K246 HydrophobicContact CE1-CB 3.71Å; Y225-K246 HydrophobicContact CE1-CD 4.15Å; Y225-K246 HydrophobicContact CE1-CG 4.08Å; Y225-K246 HydrophobicContact CE2-CD 4.41Å; Y225-K246 HydrophobicContact CE2-CG 4.44Å; K246-L248 HydrophobicContact CD-CD2 4.24Å; K246-L248 HydrophobicContact CG-CD2 4.19Å; K246-L248 PolarHBondContact O-N 3Å; K246-V278 CarbonylContact O-C 3.6Å; K246-V278 WeakPolarHBondContact O-CA 3.48Å; K246-Q279 HydrophobicContact CB-CB 4.24Å; K246-Q279 PolarHBondContact N-O 3.22Å; K246-Q279 PolarHBondContact O-N 2.88Å
247	L	95.7	Very high	90.7	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.3	175.5	-56.4	-178.5	0	0	0	110	F207 I209 I224 V226 L241 L255 L267 L276 V278	F207-L247 HydrophobicContact CE2-CD1 3.65Å; F207-L247 HydrophobicContact CZ-CD1 4.11Å; I209-L247 HydrophobicContact CG2-CD1 3.57Å; I224-L247 HydrophobicContact CB-CB 4.38Å; I224-L247 HydrophobicContact CG2-CB 4.31Å; I224-L247 HydrophobicContact CG2-CD1 4.21Å; I224-L247 PolarHBondContact O-N 3.4Å; V226-L247 HydrophobicContact CG2-CD1 4.41Å; V226-L247 HydrophobicContact CG2-CD2 4Å; V226-L247 HydrophobicContact CG2-CG 4.1Å; L241-L247 HydrophobicContact CD1-CD2 4.08Å; L247-L255 HydrophobicContact CB-CD1 3.9Å; L247-L267 HydrophobicContact CD1-CD1 4.35Å; L247-L276 HydrophobicContact CD2-CD1 4.21Å; L247-V278 HydrophobicContact CD2-CG1 4.35Å; L247-V278 HydrophobicContact CD2-CG2 3.72Å
248	L	93.5	Very high	90.4	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-32	178.4	-58.1	-179.7	0	0	0	112.1	I193 K246 L255 L277 Q279	I193-L248 HydrophobicContact CD1-CD1 3.82Å; I193-L248 HydrophobicContact CG1-CD1 4.06Å; I193-L248 HydrophobicContact CG2-CD1 4.08Å; K246-L248 HydrophobicContact CD-CD2 4.24Å; K246-L248 HydrophobicContact CG-CD2 4.19Å; K246-L248 PolarHBondContact O-N 3Å; L248-L255 PolarHBondContact O-N 2.97Å; L248-L277 HydrophobicContact CB-CB 4.33Å; L248-L277 HydrophobicContact CB-CD2 4.16Å; L248-L277 HydrophobicContact CB-CG 4.29Å; L248-L277 HydrophobicContact CD1-CD2 4.36Å; L248-L277 HydrophobicContact CD1-CG 4.45Å; L248-L277 PolarHBondContact N-O 2.78Å; L248-Q279 HydrophobicContact CD1-CB 4.08Å; L248-Q279 HydrophobicContact CD2-CB 4.41Å; L248-Q279 HydrophobicContact CG-CB 4.23Å
249	A	93.5	Very high	90.1	Very high	19 Å²	19	50.8 Å²	50.8	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	156	177.9	0	0	0	0	0	112.3	C253 L276 L277	A249-C253 CarbonylContact C-O 3.41Å; A249-C253 VanDerWaalsContact CA-O 3.29Å; A249-C253 WeakPolarHBondContact CA-O 3.4Å; A249-C253 WeakPolarHBondContact CB-O 3.44Å; A249-L276 WeakPolarHBondContact O-CA 3.04Å; A249-L277 HydrophobicContact CB-CB 3.9Å; A249-L277 PolarHBondContact N-O 2.84Å; A249-L277 PolarHBondContact O-N 2.76Å
250	V	93.4	Very high	90	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.2	168.8	59.5	0	0	0	0	110	N252 C253 L255 A266 L267 T270 V274 V275 L276	V250-N252 PolarHBondContact O-N 3.19Å; V250-C253 HydrophobicContact CG1-CB 4.27Å; V250-C253 PolarHBondContact N-O 2.65Å; V250-C253 WeakPolarHBondContact O-CB 3.16Å; V250-C253 PolarHBondContact O-N 3.17Å; V250-L255 HydrophobicContact CB-CD1 4.14Å; V250-L255 HydrophobicContact CG1-CD1 3.93Å; V250-L255 HydrophobicContact CG1-CD2 3.92Å; V250-L255 HydrophobicContact CG1-CG 4.06Å; V250-A266 HydrophobicContact CG1-CB 3.58Å; V250-L267 HydrophobicContact CB-CD2 4.12Å; V250-L267 HydrophobicContact CG1-CG 4.44Å; V250-L267 HydrophobicContact CG2-CD2 3.82Å; V250-L267 HydrophobicContact CG2-CG 4.44Å; V250-T270 HydrophobicContact CG2-CG2 3.41Å; V250-T270 VanDerWaalsContact CG2-CG2 3.41Å; V250-V274 HydrophobicContact CG2-CG1 3.58Å; V250-V275 CarbonylContact C-O 3.56Å; V250-V275 WeakPolarHBondContact CA-O 3.46Å; V250-L276 HydrophobicContact CB-CD2 3.92Å; V250-L276 HydrophobicContact CG2-CD2 3.73Å
251	G	87.7	Confident	89.9	Confident	37 Å²	37	51.8 Å²	51.8	38%	0.381	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-116.3	-170.9	0	0	0	0	0	110.7	V275	G251-V275 PolarHBondContact N-O 3.1Å
252	N	81.8	Confident	89.7	Confident	174 Å²	174	55.3 Å²	55.3	93%	0.93	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	6	175.3	-64.3	-4.2	0	0	0	112.5	V250	V250-N252 PolarHBondContact O-N 3.19Å
253	C	83.4	Confident	89.7	Confident	71 Å²	71	50.5 Å²	50.5	48%	0.48	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	116	-179	-60.9	0	0	0	0	110	A249 V250 A266	A249-C253 CarbonylContact C-O 3.41Å; A249-C253 VanDerWaalsContact CA-O 3.29Å; A249-C253 WeakPolarHBondContact CA-O 3.4Å; A249-C253 WeakPolarHBondContact CB-O 3.44Å; V250-C253 HydrophobicContact CG1-CB 4.27Å; V250-C253 PolarHBondContact N-O 2.65Å; V250-C253 WeakPolarHBondContact O-CB 3.16Å; V250-C253 PolarHBondContact O-N 3.17Å; C253-A266 HydrophobicContact CB-CB 4.28Å
254	G	87.2	Confident	89.7	Confident	53 Å²	53	48.6 Å²	48.6	55%	0.546	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.7	170.4	0	0	0	0	0	111.3
255	L	91.4	Very high	89.8	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	30%	0.304	C	S	.	.			trans	-110.7	10.4	179.6	-64.1	-178.8	0	0	0	112.4	I224 L247 L248 V250 V258 A263 A266	I224-L255 HydrophobicContact CG1-CB 4.17Å; L247-L255 HydrophobicContact CB-CD1 3.9Å; L248-L255 PolarHBondContact O-N 2.97Å; V250-L255 HydrophobicContact CB-CD1 4.14Å; V250-L255 HydrophobicContact CG1-CD1 3.93Å; V250-L255 HydrophobicContact CG1-CD2 3.92Å; V250-L255 HydrophobicContact CG1-CG 4.06Å; L255-V258 HydrophobicContact CB-CG2 4.42Å; L255-V258 HydrophobicContact CD2-CG2 4.21Å; L255-V258 WeakPolarHBondContact O-CG2 3.47Å; L255-A263 HydrophobicContact CD2-CB 3.87Å; L255-A266 HydrophobicContact CD2-CB 4.13Å
256	E	85.2	Confident	89.8	Confident	127 Å²	127	51.1 Å²	51.1	59%	0.593	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	129.1	174.9	-62.8	-175.6	155	0	0	110.7	V258	E256-V258 PolarHBondContact O-N 3.35Å
257	N	81.1	Confident	89.7	Confident	121 Å²	121	50.1 Å²	50.1	65%	0.647	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.9	177.8	-54.2	-52.4	0	0	0	113.9	V213	V213-N257 HydrophobicContact CG2-CB 4.08Å; V213-N257 VanDerWaalsContact CG2-O 3.23Å; V213-N257 WeakPolarHBondContact CG2-O 3.34Å
258	V	86.2	Confident	89.5	Confident	25 Å²	25	57.7 Å²	57.7	15%	0.152	34%	0.34	C	S	.	.			trans	-99.3	151.2	172.5	-56.1	0	0	0	0	110.2	G212 V213 I224 L255 E256 T262 A263	G212-V258 CarbonylContact C-O 3.56Å; G212-V258 WeakPolarHBondContact CA-O 3.48Å; V213-V258 PolarHBondContact N-O 3.04Å; I224-V258 HydrophobicContact CD1-CG2 4.29Å; I224-V258 HydrophobicContact CG1-CG2 4.2Å; L255-V258 HydrophobicContact CB-CG2 4.42Å; L255-V258 HydrophobicContact CD2-CG2 4.21Å; L255-V258 WeakPolarHBondContact O-CG2 3.47Å; E256-V258 PolarHBondContact O-N 3.35Å; V258-T262 HydrophobicContact CB-CG2 4.17Å; V258-A263 HydrophobicContact CG2-CB 3.86Å
259	A	88.4	Confident	89.2	Confident	34 Å²	34	61.2 Å²	61.2	28%	0.281	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-62.8	151	169.3	0	0	0	0	0	110.5	E261 T262 A263	A259-E261 PolarHBondContact O-N 3.09Å; A259-T262 WeakPolarHBondContact O-CA 3.48Å; A259-T262 WeakPolarHBondContact O-CB 3.4Å; A259-T262 PolarHBondContact O-N 3.32Å; A259-A263 PolarHBondContact O-N 3.48Å; A259-A263 VanDerWaalsContact O-N 3.12Å
260	H	89.3	Confident	88.9	Confident	38 Å²	38	61.7 Å²	61.7	18%	0.176	37%	0.372	C	S	.	.	H	α-helix	trans	-52.9	-44	-178.6	-175.7	76	0	0	0	112.2	G211 N215 T262 A263 V264	G211-H260 VanDerWaalsContact O-CB 3.31Å; G211-H260 WeakPolarHBondContact O-CB 3.48Å; G211-H260 PolarHBondContact O-ND1 3.25Å; N215-H260 HydrophobicContact CB-CB 4.39Å; H260-T262 VanDerWaalsContact C-N 3.27Å; H260-T262 PolarHBondContact O-N 3.32Å; H260-A263 PolarHBondContact O-N 2.94Å; H260-V264 WeakPolarHBondContact O-CG2 3.4Å; H260-V264 PolarHBondContact O-N 2.87Å
261	E	91.9	Very high	88.6	Confident	129 Å²	129	65.1 Å²	65.1	60%	0.603	40%	0.4	S	S	*	.	H	α-helix	trans	-64	-34.2	179.8	-59.8	73.6	-159.4	0	0	111.7	A259 V264 A265	A259-E261 PolarHBondContact O-N 3.09Å; E261-V264 PolarHBondContact O-N 3.1Å; E261-A265 VanDerWaalsContact O-CB 3.25Å; E261-A265 WeakPolarHBondContact O-CB 3.25Å; E261-A265 PolarHBondContact O-N 3.48Å
262	T	90.5	Very high	88.6	Confident	79 Å²	79	68.8 Å²	68.8	49%	0.485	41%	0.412	S	S	.	.	H	α-helix	trans	-69	-41.4	177	-57.2	0	0	0	0	110.6	V258 A259 H260 A265 A266	V258-T262 HydrophobicContact CB-CG2 4.17Å; A259-T262 WeakPolarHBondContact O-CA 3.48Å; A259-T262 WeakPolarHBondContact O-CB 3.4Å; A259-T262 PolarHBondContact O-N 3.32Å; H260-T262 VanDerWaalsContact C-N 3.27Å; H260-T262 PolarHBondContact O-N 3.32Å; T262-A265 PolarHBondContact O-N 3.05Å; T262-A266 WeakPolarHBondContact O-CB 3.44Å; T262-A266 PolarHBondContact O-N 3.5Å
263	A	93.6	Very high	89	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-44.3	174.2	0	0	0	0	0	112.1	I209 I224 L255 V258 A259 H260 A266 L267	I209-A263 HydrophobicContact CD1-CB 3.95Å; I224-A263 HydrophobicContact CD1-CB 3.5Å; I224-A263 VanDerWaalsContact CD1-CB 3.5Å; I224-A263 HydrophobicContact CG1-CB 3.66Å; I224-A263 HydrophobicContact CG2-CB 4.27Å; L255-A263 HydrophobicContact CD2-CB 3.87Å; V258-A263 HydrophobicContact CG2-CB 3.86Å; A259-A263 PolarHBondContact O-N 3.48Å; A259-A263 VanDerWaalsContact O-N 3.12Å; H260-A263 PolarHBondContact O-N 2.94Å; A263-A266 PolarHBondContact O-N 3.46Å; A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 WeakPolarHBondContact O-CG 3.35Å; A263-L267 PolarHBondContact O-N 3.33Å
264	V	92.3	Very high	89.4	Confident	39 Å²	39	65 Å²	65	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-61.8	-44.5	175.5	173.2	0	0	0	0	111	I209 H260 E261 L267 K268	I209-V264 HydrophobicContact CD1-CG2 3.84Å; I209-V264 HydrophobicContact CG1-CG2 4.31Å; H260-V264 WeakPolarHBondContact O-CG2 3.4Å; H260-V264 PolarHBondContact O-N 2.87Å; E261-V264 PolarHBondContact O-N 3.1Å; V264-L267 PolarHBondContact O-N 2.81Å; V264-K268 HydrophobicContact CG1-CD 4Å; V264-K268 HydrophobicContact CG1-CG 4.42Å; V264-K268 WeakPolarHBondContact O-CB 3.37Å; V264-K268 WeakPolarHBondContact O-CG 3.21Å; V264-K268 PolarHBondContact O-N 3.31Å
265	A	91.9	Very high	89.7	Confident	56 Å²	56	63.7 Å²	63.7	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-44.8	177	0	0	0	0	0	111.4	E261 T262 K268 A269	E261-A265 VanDerWaalsContact O-CB 3.25Å; E261-A265 WeakPolarHBondContact O-CB 3.25Å; E261-A265 PolarHBondContact O-N 3.48Å; T262-A265 PolarHBondContact O-N 3.05Å; A265-K268 PolarHBondContact O-N 2.87Å; A265-A269 VanDerWaalsContact O-CB 3.23Å; A265-A269 WeakPolarHBondContact O-CB 3.26Å; A265-A269 PolarHBondContact O-N 2.95Å
266	A	92.6	Very high	89.9	Confident	17 Å²	17	63.6 Å²	63.6	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-43.4	177.2	0	0	0	0	0	112.2	V250 C253 L255 T262 A263 T270	V250-A266 HydrophobicContact CG1-CB 3.58Å; C253-A266 HydrophobicContact CB-CB 4.28Å; L255-A266 HydrophobicContact CD2-CB 4.13Å; T262-A266 WeakPolarHBondContact O-CB 3.44Å; T262-A266 PolarHBondContact O-N 3.5Å; A263-A266 PolarHBondContact O-N 3.46Å; A266-T270 VanDerWaalsContact O-CG2 3.25Å; A266-T270 WeakPolarHBondContact O-CG2 3.43Å
267	L	93.9	Very high	90.3	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-40	175	-77.2	162.1	0	0	0	112.4	L205 F207 I209 L247 V250 A263 V264 T270 L276	L205-L267 HydrophobicContact CD1-CD2 3.79Å; F207-L267 HydrophobicContact CE2-CD1 4.33Å; F207-L267 HydrophobicContact CE2-CD2 4.28Å; F207-L267 HydrophobicContact CZ-CD2 3.8Å; I209-L267 HydrophobicContact CD1-CD1 3.54Å; I209-L267 HydrophobicContact CG1-CD1 4.17Å; I209-L267 HydrophobicContact CG2-CD1 4.02Å; L247-L267 HydrophobicContact CD1-CD1 4.35Å; V250-L267 HydrophobicContact CB-CD2 4.12Å; V250-L267 HydrophobicContact CG1-CG 4.44Å; V250-L267 HydrophobicContact CG2-CD2 3.82Å; V250-L267 HydrophobicContact CG2-CG 4.44Å; A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 WeakPolarHBondContact O-CG 3.35Å; A263-L267 PolarHBondContact O-N 3.33Å; V264-L267 PolarHBondContact O-N 2.81Å; L267-T270 PolarHBondContact O-OG1 2.92Å; L267-L276 HydrophobicContact CD2-CD2 3.89Å
268	K	90.7	Very high	91	Very high	159 Å²	159	55 Å²	55	69%	0.691	31%	0.313	S	S	*	.	H	α-helix	trans	-71.3	-38.5	178.8	-75.8	-178.7	177.4	-179.8	0	112.8	K200 V264 A265 T270	K200-K268 PolarHBondContact NZ-O 2.81Å; V264-K268 HydrophobicContact CG1-CD 4Å; V264-K268 HydrophobicContact CG1-CG 4.42Å; V264-K268 WeakPolarHBondContact O-CB 3.37Å; V264-K268 WeakPolarHBondContact O-CG 3.21Å; V264-K268 PolarHBondContact O-N 3.31Å; A265-K268 PolarHBondContact O-N 2.87Å; K268-T270 PolarHBondContact O-N 3.39Å
269	A	88.4	Confident	91.2	Very high	88 Å²	88	56.7 Å²	56.7	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.4	-176	0	0	0	0	0	114.8	A265	A265-A269 VanDerWaalsContact O-CB 3.23Å; A265-A269 WeakPolarHBondContact O-CB 3.26Å; A265-A269 PolarHBondContact O-N 2.95Å
270	T	86.3	Confident	91.3	Very high	30 Å²	30	56.4 Å²	56.4	18%	0.184	31%	0.312	C	S	.	.	S	Bend	trans	-69.4	153.8	177.7	55.8	0	0	0	0	112.6	K200 V250 A266 L267 K268 V274	K200-T270 WeakPolarHBondContact CE-OG1 3.08Å; K200-T270 PolarHBondContact NZ-O 3.45Å; K200-T270 PolarHBondContact NZ-OG1 3.48Å; V250-T270 HydrophobicContact CG2-CG2 3.41Å; V250-T270 VanDerWaalsContact CG2-CG2 3.41Å; A266-T270 VanDerWaalsContact O-CG2 3.25Å; A266-T270 WeakPolarHBondContact O-CG2 3.43Å; L267-T270 PolarHBondContact O-OG1 2.92Å; K268-T270 PolarHBondContact O-N 3.39Å; T270-V274 HydrophobicContact CG2-CG1 3.8Å; T270-V274 HydrophobicContact CG2-CG2 4.3Å; T270-V274 WeakPolarHBondContact OG1-CG2 3.28Å
271	A	87.2	Confident	90.4	Very high	73 Å²	73	60.2 Å²	60.2	60%	0.603	33%	0.329	S	S	*	.			trans	-71.6	-172.5	172.6	0	0	0	0	0	111.7	K200 R273 V274	K200-A271 WeakPolarHBondContact CD-O 3.32Å; K200-A271 VanDerWaalsContact CE-O 3.31Å; K200-A271 WeakPolarHBondContact CE-O 3.13Å; A271-R273 PolarHBondContact O-N 3.31Å; A271-V274 VanDerWaalsContact O-CG2 3.24Å; A271-V274 WeakPolarHBondContact O-CG2 3.39Å
272	D	87.6	Confident	88.5	Confident	115 Å²	115	59.9 Å²	59.9	62%	0.615	33%	0.33	S	S	*	.	S	Bend	trans	-60.5	-32.9	178.9	-69.8	-16.7	0	0	0	112.8	Q199 K200	Q199-D272 CarbonylContact C-O 3.55Å; Q199-D272 WeakPolarHBondContact CA-O 3.39Å; K200-D272 PolarHBondContact N-O 3.42Å
273	R	90.5	Very high	86.2	Confident	164 Å²	164	61.1 Å²	61.1	62%	0.619	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.4	175.8	-170.3	173.7	174.2	-169.5	-3.1	109.6	E197 A271	E197-R273 HydrophobicContact CG-CG 4.18Å; E197-R273 IonicContact OE1-CZ 3.72Å; E197-R273 IonicContact OE1-NE 3.88Å; E197-R273 PolarHBondContact OE1-NE 3.37Å; E197-R273 IonicContact OE1-NH2 3.87Å; E197-R273 PolarHBondContact OE1-NH2 3.2Å; E197-R273 IonicContact OE2-CZ 3.19Å; E197-R273 IonicContact OE2-NE 3.01Å; E197-R273 IonicContact OE2-NH2 2.94Å; E197-R273 PolarHBondContact OE2-NH2 3.47Å; A271-R273 PolarHBondContact O-N 3.31Å
274	V	91.7	Very high	83.2	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.8	-173.2	-172.3	0	0	0	0	110	E197 L198 K200 L205 V250 T270 A271 L276	E197-V274 WeakPolarHBondContact CA-O 3.23Å; L198-V274 PolarHBondContact N-O 3.1Å; L198-V274 PolarHBondContact O-N 3.4Å; K200-V274 HydrophobicContact CD-CG2 4.44Å; K200-V274 HydrophobicContact CG-CG2 4.18Å; L205-V274 HydrophobicContact CD1-CG1 4.29Å; L205-V274 HydrophobicContact CD2-CB 3.77Å; L205-V274 HydrophobicContact CD2-CG1 4.25Å; L205-V274 HydrophobicContact CD2-CG2 3.67Å; V250-V274 HydrophobicContact CG2-CG1 3.58Å; T270-V274 HydrophobicContact CG2-CG1 3.8Å; T270-V274 HydrophobicContact CG2-CG2 4.3Å; T270-V274 WeakPolarHBondContact OG1-CG2 3.28Å; A271-V274 VanDerWaalsContact O-CG2 3.24Å; A271-V274 WeakPolarHBondContact O-CG2 3.39Å; V274-L276 HydrophobicContact CG1-CD2 4.01Å
275	V	92.8	Very high	80.3	Confident	25 Å²	25	68 Å²	68	15%	0.152	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.4	173.8	-179.5	0	0	0	0	108.3	R195 I196 E197 V250 G251	R195-V275 HydrophobicContact CG-CG1 3.61Å; R195-V275 VanDerWaalsContact NE-CG1 3.29Å; I196-V275 CarbonylContact O-C 3.53Å; I196-V275 WeakPolarHBondContact O-CA 3.44Å; E197-V275 HydrophobicContact CG-CG2 4.38Å; V250-V275 CarbonylContact C-O 3.56Å; V250-V275 WeakPolarHBondContact CA-O 3.46Å; G251-V275 PolarHBondContact N-O 3.1Å
276	L	95.7	Very high	77.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.2	172.3	-55.8	177.9	0	0	0	109.3	R195 I196 L198 F207 L241 L247 A249 V250 L267 V274 V278	R195-L276 CarbonylContact C-O 3.52Å; R195-L276 WeakPolarHBondContact CA-O 3.27Å; I196-L276 PolarHBondContact N-O 3.41Å; I196-L276 PolarHBondContact O-N 3.11Å; L198-L276 HydrophobicContact CD1-CD1 3.93Å; F207-L276 HydrophobicContact CE1-CD1 3.68Å; F207-L276 HydrophobicContact CZ-CD1 3.65Å; L241-L276 HydrophobicContact CD2-CD1 4.32Å; L247-L276 HydrophobicContact CD2-CD1 4.21Å; A249-L276 WeakPolarHBondContact O-CA 3.04Å; V250-L276 HydrophobicContact CB-CD2 3.92Å; V250-L276 HydrophobicContact CG2-CD2 3.73Å; L267-L276 HydrophobicContact CD2-CD2 3.89Å; V274-L276 HydrophobicContact CG1-CD2 4.01Å; L276-V278 HydrophobicContact CB-CG2 3.68Å
277	L	94.2	Very high	74.2	Confident	68 Å²	68	80.3 Å²	80.3	36%	0.356	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.1	163.9	-167.4	70.7	0	0	0	107.7	I193 R195 L248 A249	I193-L277 HydrophobicContact CG2-CD1 3.68Å; I193-L277 HydrophobicContact CG2-CD2 4.38Å; I193-L277 HydrophobicContact CG2-CG 3.81Å; R195-L277 HydrophobicContact CB-CD1 4.49Å; L248-L277 HydrophobicContact CB-CB 4.33Å; L248-L277 HydrophobicContact CB-CD2 4.16Å; L248-L277 HydrophobicContact CB-CG 4.29Å; L248-L277 HydrophobicContact CD1-CD2 4.36Å; L248-L277 HydrophobicContact CD1-CG 4.45Å; L248-L277 PolarHBondContact N-O 2.78Å; A249-L277 HydrophobicContact CB-CB 3.9Å; A249-L277 PolarHBondContact N-O 2.84Å; A249-L277 PolarHBondContact O-N 2.76Å
278	V	95	Very high	71.3	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.8	-165.1	-173.9	0	0	0	0	109.9	I193 E194 I196 L241 D245 K246 L247 L276	I193-V278 CarbonylContact C-O 3.49Å; I193-V278 WeakPolarHBondContact CA-O 3.31Å; E194-V278 PolarHBondContact N-O 3.09Å; E194-V278 PolarHBondContact O-N 2.98Å; I196-V278 HydrophobicContact CD1-CB 4.25Å; I196-V278 HydrophobicContact CD1-CG2 3.99Å; I196-V278 HydrophobicContact CG1-CG2 4.26Å; L241-V278 HydrophobicContact CD1-CB 4.46Å; L241-V278 HydrophobicContact CD1-CG1 3.83Å; L241-V278 HydrophobicContact CD1-CG2 3.87Å; D245-V278 HydrophobicContact CB-CG1 3.52Å; K246-V278 CarbonylContact O-C 3.6Å; K246-V278 WeakPolarHBondContact O-CA 3.48Å; L247-V278 HydrophobicContact CD2-CG1 4.35Å; L247-V278 HydrophobicContact CD2-CG2 3.72Å; L276-V278 HydrophobicContact CB-CG2 3.68Å
279	Q	91.4	Very high	68.3	Low	59 Å²	59	83.9 Å²	83.9	28%	0.276	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.6	168.8	-178.8	175.8	-7.8	0	0	108.8	S191 I193 K246 L248	S191-Q279 PolarHBondContact OG-NE2 2.89Å; I193-Q279 HydrophobicContact CG1-CB 4.34Å; I193-Q279 HydrophobicContact CG1-CG 4.45Å; K246-Q279 HydrophobicContact CB-CB 4.24Å; K246-Q279 PolarHBondContact N-O 3.22Å; K246-Q279 PolarHBondContact O-N 2.88Å; L248-Q279 HydrophobicContact CD1-CB 4.08Å; L248-Q279 HydrophobicContact CD2-CB 4.41Å; L248-Q279 HydrophobicContact CG-CB 4.23Å
280	K	89.2	Confident	65.7	Low	29 Å²	29	85.6 Å²	85.6	13%	0.126	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-71.8	135.4	-175.7	-61.4	-66.1	-68.2	160.2	0	110.8	R192 E194 R240 D245	R192-K280 HydrophobicContact CB-CB 4.4Å; R192-K280 WeakPolarHBondContact O-CB 3.21Å; R192-K280 WeakPolarHBondContact O-CG 3.29Å; R192-K280 PolarHBondContact O-N 2.82Å; E194-K280 HydrophobicContact CB-CD 4.46Å; E194-K280 HydrophobicContact CB-CG 4.29Å; E194-K280 HydrophobicContact CG-CD 4.41Å; E194-K280 HydrophobicContact CG-CG 3.91Å; R240-K280 PolarHBondContact O-NZ 3.19Å; D245-K280 WeakPolarHBondContact OD1-CA 3.45Å; D245-K280 IonicContact OD1-NZ 2.72Å; D245-K280 PolarHBondContact OD1-NZ 2.78Å; D245-K280 IonicContact OD2-NZ 3.3Å; D245-K280 PolarHBondContact OD2-NZ 3.01Å
281	Q	71.4	Confident	63.1	Low	117 Å²	117	89.6 Å²	89.6	55%	0.547	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-69.4	144.7	170.3	-157.1	-178.4	-9.1	0	0	109.8	G244 D245 P283	G244-Q281 VanDerWaalsContact CA-OE1 3.25Å; D245-Q281 PolarHBondContact OD1-N 3.09Å; Q281-P283 WeakPolarHBondContact O-CD 3.46Å
282	I	51.5	Low	60.3	Low	122 Å²	122	89.3 Å²	89.3	63%	0.626	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-64.3	122	174.6	-57.3	168.9	0	0	0	107.1	S284	I282-S284 PolarHBondContact O-N 2.6Å; I282-S284 VanDerWaalsContact O-N 3.15Å
283	P	42.4	Very low	57.6	Low	106 Å²	106	90.8 Å²	90.8	69%	0.688	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-67.5	116.8	175.7	20.5	-22.1	0	0	0	108.9	Q281 G285	Q281-P283 WeakPolarHBondContact O-CD 3.46Å; P283-G285 PolarHBondContact O-N 3.5Å
284	S	30.5	Very low	54.6	Low	133 Å²	133	87.7 Å²	87.7	93%	0.93	55%	0.545	S	S	*	.			trans	-69.1	79.1	158.5	-63	0	0	0	0	108	I282	I282-S284 PolarHBondContact O-N 2.6Å; I282-S284 VanDerWaalsContact O-N 3.15Å
285	G	31.2	Very low	51.9	Low	50 Å²	50	96.1 Å²	96.1	52%	0.515	59%	0.589	S	S	.	*			trans	-97.5	115.6	-174.7	0	0	0	0	0	113.5	P283	P283-G285 PolarHBondContact O-N 3.5Å
286	T	28	Very low	48.8	Very low	134 Å²	134	103 Å²	103	82%	0.822	62%	0.62	S	S	*	*				48	116.4	126	54.3	0	0	0	0	120.3
287	M	28.2	Very low	45.6	Very low	197 Å²	197	108.8 Å²	108.8	97%	0.97	66%	0.655	S	S	*	*			trans	-127.8	112.7	134.2	-88.9	-76.9	-167.3	0	0	107.4
288	A	33.1	Very low	42.6	Very low	91 Å²	91	111.4 Å²	111.4	75%	0.752	67%	0.674	S	S	*	*			trans	-79.6	146.4	173.5	0	0	0	0	0	110.6
289	D	27.4	Very low	39.4	Very low	158 Å²	158	115.7 Å²	115.7	85%	0.845	71%	0.709	S	S	*	*			trans	5	140.6	143.4	-118.4	-16.6	0	0	0	119.4
290	V	34.3	Very low	36.6	Very low	125 Å²	125	120.9 Å²	120.9	76%	0.758	74%	0.737	S	S	*	*			trans	153.8	119.2	135.9	166.1	0	0	0	0	111.2
291	S	33.1	Very low	33.9	Very low	114 Å²	114	124.8 Å²	124.8	80%	0.797	77%	0.766	S	S	*	*			trans	71.2	117.7	157.6	-56.4	0	0	0	0	117.4
292	G	28.2	Very low	31.9	Very low	66 Å²	66	126.4 Å²	126.4	68%	0.68	78%	0.778	S	S	*	*			cis	90.1	89.1	38.3	0	0	0	0	0	110.2
293	T	31.1	Very low	30.8	Very low	147 Å²	147	125 Å²	125	90%	0.902	78%	0.779	S	S	*	*			trans	171.3	132.9	133.8	28.8	0	0	0	0	112.5
294	S	26.9	Very low	30.4	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	79%	0.789	S	S	*	*			trans	-45.2	143.7	170.4	47.3	0	0	0	0	116.9
295	L	34.4	Very low	30.6	Very low	180 Å²	180	127.1 Å²	127.1	94%	0.942	78%	0.776	S	S	*	*			trans	-154.1	130.5	130.5	-121.4	121.9	0	0	0	111.1
296	E	27.3	Very low	30.6	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.794	80%	0.795	S	S	*	*			trans	-81.6	176.7	-175.5	-65.6	176.4	135.1	0	0	113.3
297	T	28.5	Very low	30.8	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	79%	0.791	S	S	*	*			trans	93.6	110	143.8	-22.6	0	0	0	0	116.8
298	V	32.3	Very low	30.9	Very low	124 Å²	124	125.9 Å²	125.9	75%	0.752	78%	0.782	S	S	*	*				172	120.2	90.7	170.3	0	0	0	0	108.2
299	A	27.7	Very low	30.8	Very low	89 Å²	89	126.5 Å²	126.5	74%	0.736	78%	0.781	S	S	*	*			trans	-88.9	145.5	164.3	0	0	0	0	0	110.1
300	L	31.8	Very low	31.1	Very low	168 Å²	168	124.3 Å²	124.3	88%	0.88	77%	0.774	S	S	*	*			trans	-149.5	150.7	151.2	-78.1	-176.1	0	0	0	111.4
301	P	33.4	Very low	31	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	78%	0.782	S	S	*	*			trans	-123.1	178.4	-148.8	34.9	-15	0	0	0	115.6
302	D	28.3	Very low	30.9	Very low	151 Å²	151	130.3 Å²	130.3	81%	0.807	79%	0.788	S	S	*	*			trans	4.6	136.2	159.3	-66.1	-25.2	0	0	0	120.6
303	S	29.6	Very low	31	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	79%	0.787	S	S	*	*				158.9	152.6	116.2	-66	0	0	0	0	112.8
304	F	34.1	Very low	31.1	Very low	205 Å²	205	136 Å²	136	90%	0.899	79%	0.787	S	S	*	*			trans	84.1	141.4	164.5	-52.8	-78	0	0	0	117.6
305	A	34	Very low	31.5	Very low	80 Å²	80	140.7 Å²	140.7	66%	0.661	80%	0.798	S	S	*	*			cis	177.3	136.9	-27.2	0	0	0	0	0	103.5
306	D	30.7	Very low	31.6	Very low	170 Å²	170	140.6 Å²	140.6	91%	0.909	79%	0.793	S	S	*	*			trans	56.6	132.4	147.8	-146.2	3.8	0	0	0	120.6
307	G	31.8	Very low	31.9	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	80%	0.796	S	S	*	*			trans	160.8	69.1	178.6	0	0	0	0	0	115.3
308	S	31.3	Very low	32.1	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	81%	0.805	S	S	*	*			trans	-53.7	152	164.3	-178.2	0	0	0	0	112.7
309	S	31.2	Very low	32.2	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	81%	0.811	S	S	*	*			trans	98.4	135.9	164.8	81.1	0	0	0	0	118.3
310	T	32.6	Very low	32.4	Very low	111 Å²	111	156.8 Å²	156.8	68%	0.681	82%	0.819	S	S	*	*			trans	96.6	53.7	165.8	-24.9	0	0	0	0	117.8
311	L	32.6	Very low	32.4	Very low	179 Å²	179	153 Å²	153	94%	0.937	81%	0.811	S	S	*	*			trans	-120.9	54.9	151.3	-75.9	170.9	0	0	0	109.8
312	M	31.2	Very low	32.3	Very low	187 Å²	187	156.8 Å²	156.8	92%	0.921	82%	0.822	S	S	*	*			trans	-132.9	63.5	167.6	-72.6	-158.1	104.8	0	0	109
313	S	30.9	Very low	32.5	Very low	95 Å²	95	152.7 Å²	152.7	66%	0.664	82%	0.816	S	S	*	*	S	Bend	trans	-168.1	49.5	171.8	50.3	0	0	0	0	111.7
314	R	33.5	Very low	32.6	Very low	238 Å²	238	154.5 Å²	154.5	90%	0.898	82%	0.823	S	S	*	*	S	Bend	trans	-147	2.1	166.1	-144.3	169.5	176.5	175	-2.2	115.9
315	Q	35.3	Very low	32.5	Very low	196 Å²	196	152.8 Å²	152.8	92%	0.916	82%	0.823	S	S	*	*	S	Bend	trans	-102.3	8	176.8	-78	-178.3	-20.9	0	0	114.1
316	Q	36.7	Very low	32.3	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	83%	0.826	S	S	*	*	S	Bend	trans	-117.4	2.9	-173.6	-138.3	167.1	-1.7	0	0	115.6
317	E	33.1	Very low	32.4	Very low	183 Å²	183	151.5 Å²	151.5	86%	0.855	82%	0.82	S	S	*	*	S	Bend	trans	-110.8	-1.5	-178.5	-74	-176.1	154.5	0	0	115.4
318	M	32.8	Very low	32.4	Very low	191 Å²	191	153.4 Å²	153.4	94%	0.941	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	6.6	177.2	-145.7	166.3	165.5	0	0	113.8
319	R	33.2	Very low	32.3	Very low	232 Å²	232	157.4 Å²	157.4	88%	0.875	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	11.8	-179.4	-80.7	-172.9	168.7	-176	-2.1	114.7
320	R	32.8	Very low	32.4	Very low	237 Å²	237	156.1 Å²	156.1	89%	0.894	82%	0.817	S	S	*	*	S	Bend	trans	-138.5	62.8	-177.1	-69	-175.1	177.2	164.3	-0.5	112.8
321	A	32.4	Very low	32.4	Very low	87 Å²	87	155.8 Å²	155.8	72%	0.719	82%	0.819	S	S	*	*	S	Bend	trans	-167.1	137.2	157.6	0	0	0	0	0	110.1
322	M	31.1	Very low	32.1	Very low	191 Å²	191	152.8 Å²	152.8	94%	0.941	81%	0.814	S	S	*	*			trans	85.4	84	173.6	-52.8	-161.4	-125.1	0	0	116.4
323	G	31.4	Very low	32.2	Very low	66 Å²	66	150.6 Å²	150.6	68%	0.68	80%	0.799	S	S	*	*			trans	-74.8	144.6	161.7	0	0	0	0	0	113.1
324	T	33	Very low	32.2	Very low	130 Å²	130	148.7 Å²	148.7	80%	0.798	79%	0.79	S	S	*	*			trans	31.2	117.7	131.5	59.1	0	0	0	0	120
325	D	30.9	Very low	32.3	Very low	168 Å²	168	142.4 Å²	142.4	90%	0.898	78%	0.78	S	S	*	*				-174.4	117.2	126.1	-82.8	-21.4	0	0	0	106
326	G	30.1	Very low	32.2	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	78%	0.776	S	S	*	*			cis	108.6	94.3	13.2	0	0	0	0	0	110.6
327	I	32.1	Very low	32.4	Very low	152 Å²	152	139.6 Å²	139.6	78%	0.779	76%	0.759	S	S	*	*			trans	-144.4	87.5	153	-53.5	-176.6	0	0	0	110.6	Y329	I327-Y329 HydrophobicContact CG2-CD2 3.63Å; I327-Y329 HydrophobicContact CG2-CE2 3.73Å
328	S	32.3	Very low	33.3	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	73%	0.732	S	S	*	*			trans	-86.9	119.7	154.8	166.7	0	0	0	0	108.2	A330	S328-A330 PolarHBondContact O-N 2.86Å
329	Y	29.2	Very low	34.8	Very low	195 Å²	195	131.4 Å²	131.4	77%	0.765	71%	0.713	S	S	*	*			trans	-88.7	90.5	163.6	-95	-95	0	0	0	108.1	I327	I327-Y329 HydrophobicContact CG2-CD2 3.63Å; I327-Y329 HydrophobicContact CG2-CE2 3.73Å
330	A	32.4	Very low	36.8	Very low	78 Å²	78	123 Å²	123	65%	0.645	69%	0.69	S	S	*	*	S	Bend	trans	171.6	125.3	138.9	0	0	0	0	0	111.5	S328	S328-A330 PolarHBondContact O-N 2.86Å
331	S	32.8	Very low	39.6	Very low	104 Å²	104	115.2 Å²	115.2	73%	0.727	67%	0.67	S	S	*	*			trans	72.2	95.3	167.6	80.4	0	0	0	0	117.1	F333	S331-F333 PolarHBondContact O-N 2.96Å
332	S	27.9	Very low	42.5	Very low	117 Å²	117	113.5 Å²	113.5	82%	0.818	65%	0.645	S	S	*	*			trans	-44.5	92	155.2	47.5	0	0	0	0	113.7
333	F	32.9	Very low	45.4	Very low	140 Å²	140	114.8 Å²	114.8	61%	0.614	64%	0.64	S	S	*	*			trans	-140.5	120	157.1	-86.4	-89.5	0	0	0	108.2	S331 Q337	S331-F333 PolarHBondContact O-N 2.96Å; F333-Q337 HydrophobicContact CD1-CB 4.26Å; F333-Q337 HydrophobicContact CD1-CG 4.43Å
334	A	29.9	Very low	48.3	Very low	56 Å²	56	112 Å²	112	46%	0.463	61%	0.609	S	S	.	*			trans	-55.7	148.5	-175.1	0	0	0	0	0	111.7	Y336 Q337	A334-Y336 PolarHBondContact O-N 3.16Å; A334-Q337 PolarHBondContact O-N 3.49Å
335	P	36.6	Very low	51.2	Low	106 Å²	106	107.8 Å²	107.8	69%	0.688	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-12	-176.1	19.7	-30.6	0	0	0	115
336	Y	32.9	Very low	54.1	Low	215 Å²	215	100.1 Å²	100.1	84%	0.843	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-25.6	171.2	-84.3	-90.6	0	0	0	114.4	A334	A334-Y336 PolarHBondContact O-N 3.16Å
337	Q	39.5	Very low	57.1	Low	99 Å²	99	101.2 Å²	101.2	46%	0.463	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-13.3	179.1	-91.5	161.5	-29.7	0	0	113.6	F333 A334 S340	F333-Q337 HydrophobicContact CD1-CB 4.26Å; F333-Q337 HydrophobicContact CD1-CG 4.43Å; A334-Q337 PolarHBondContact O-N 3.49Å; Q337-S340 PolarHBondContact O-OG 2.93Å
338	I	52.2	Low	59.8	Low	58 Å²	58	96 Å²	96	30%	0.297	51%	0.505	S	S	.	.	S	Bend	trans	-75.7	-28.5	-179.4	-59.7	174.8	0	0	0	111.3	R342 Y422	I338-R342 PolarHBondContact O-NH1 2.91Å; I338-Y422 HydrophobicContact CG2-CD1 3.88Å; I338-Y422 HydrophobicContact CG2-CG 4.48Å
339	R	64.7	Low	62.2	Low	144 Å²	144	91.7 Å²	91.7	54%	0.543	48%	0.478	S	S	.	.	S	Bend	trans	-86.3	-17.7	-179.7	-66	-171.9	-177.9	-116.8	-4.5	114.2	E425	R339-E425 IonicContact CZ-OE1 3.55Å; R339-E425 IonicContact CZ-OE2 2.78Å; R339-E425 IonicContact NH1-OE1 3.58Å; R339-E425 PolarHBondContact NH1-OE1 3.43Å; R339-E425 IonicContact NH1-OE2 3.66Å; R339-E425 PolarHBondContact NH1-OE2 2.9Å; R339-E425 IonicContact NH2-OE1 2.82Å; R339-E425 PolarHBondContact NH2-OE1 3.43Å; R339-E425 IonicContact NH2-OE2 3.61Å; R339-E425 PolarHBondContact NH2-OE2 3.43Å
340	S	76.5	Confident	64.7	Low	55 Å²	55	89.5 Å²	89.5	39%	0.385	49%	0.488	S	S	.	.	S	Bend	trans	-70	143.1	177.2	52.5	0	0	0	0	111	Q337 R342	Q337-S340 PolarHBondContact O-OG 2.93Å; S340-R342 WeakPolarHBondContact O-CG 3.41Å; S340-R342 PolarHBondContact O-N 3.31Å
341	P	90.7	Very high	66.8	Low	75 Å²	75	90 Å²	90	49%	0.487	49%	0.486	S	S	.	.			trans	-52	130.4	174.9	-27.6	35.2	0	0	0	112.5	L390 L419 A421	P341-L390 HydrophobicContact CB-CD1 4.01Å; P341-L390 HydrophobicContact CG-CD1 3.92Å; P341-L419 HydrophobicContact CB-CD1 3.8Å; P341-L419 HydrophobicContact CB-CD2 4.25Å; P341-L419 HydrophobicContact CB-CG 3.97Å; P341-A421 HydrophobicContact CG-CB 4.34Å
342	R	92.3	Very high	69.4	Low	50 Å²	50	86.2 Å²	86.2	19%	0.189	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130	-178.3	-57.4	-175.5	-64.8	-103.9	0.6	109.7	I338 S340 I344 D387 L419 A420	I338-R342 PolarHBondContact O-NH1 2.91Å; S340-R342 WeakPolarHBondContact O-CG 3.41Å; S340-R342 PolarHBondContact O-N 3.31Å; R342-I344 HydrophobicContact CB-CD1 4.48Å; R342-I344 HydrophobicContact CB-CG1 4.31Å; R342-D387 IonicContact CZ-OD1 2.77Å; R342-D387 IonicContact NH2-OD1 3.17Å; R342-D387 PolarHBondContact NH2-OD1 2.85Å; R342-D387 IonicContact NH2-OD2 3.45Å; R342-D387 PolarHBondContact NH2-OD2 2.64Å; R342-L419 WeakPolarHBondContact O-CA 3.19Å; R342-A420 PolarHBondContact N-O 3.17Å; R342-A420 PolarHBondContact O-N 3.38Å
343	R	92.9	Very high	72.3	Confident	219 Å²	219	81.6 Å²	81.6	83%	0.826	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.7	169.5	-75.7	-177.5	164.1	175.3	-4.7	109.3	M418 L419	R343-M418 CarbonylContact C-O 3.22Å; R343-M418 WeakPolarHBondContact CA-O 3.02Å; R343-L419 HydrophobicContact CG-CD1 3.73Å
344	I	92.7	Very high	74.8	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.8	-173.2	-62.3	172.4	0	0	0	107.9	R342 L346 L382 L383 Y417 M418 A420	R342-I344 HydrophobicContact CB-CD1 4.48Å; R342-I344 HydrophobicContact CB-CG1 4.31Å; I344-L346 HydrophobicContact CG2-CD2 4.2Å; I344-L346 HydrophobicContact CG2-CG 4.02Å; I344-L382 HydrophobicContact CD1-CB 4.32Å; I344-L382 VanDerWaalsContact CD1-O 3.3Å; I344-L382 WeakPolarHBondContact CD1-O 3.4Å; I344-L382 HydrophobicContact CG1-CB 4.23Å; I344-L382 HydrophobicContact CG2-CB 3.83Å; I344-L382 HydrophobicContact CG2-CD1 3.92Å; I344-L383 HydrophobicContact CD1-CD2 3.3Å; I344-L383 HydrophobicContact CD1-CG 4.06Å; I344-L383 HydrophobicContact CG2-CD2 4.49Å; I344-L383 HydrophobicContact CG2-CG 4.43Å; I344-Y417 CarbonylContact O-C 3.58Å; I344-Y417 WeakPolarHBondContact O-CA 3.32Å; I344-M418 HydrophobicContact CB-CB 4.44Å; I344-M418 HydrophobicContact CG2-CE 4.2Å; I344-M418 PolarHBondContact N-O 2.73Å; I344-M418 PolarHBondContact O-N 2.96Å; I344-A420 HydrophobicContact CD1-CB 3.83Å
345	S	93.3	Very high	77.6	Confident	43 Å²	43	73.8 Å²	73.8	30%	0.301	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.2	174.5	-169.9	0	0	0	0	110.1	K415 I416 Y417	S345-K415 WeakPolarHBondContact OG-CE 3.41Å; S345-I416 VanDerWaalsContact CA-O 3.3Å; S345-I416 WeakPolarHBondContact CA-O 3.43Å; S345-Y417 WeakPolarHBondContact OG-CE1 3.38Å
346	L	93	Very high	80.1	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.037	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.8	-179.9	-60.9	-174.4	0	0	0	110.4	I344 L353 V376 A377 S380 L382 L383 K415 I416 M418	I344-L346 HydrophobicContact CG2-CD2 4.2Å; I344-L346 HydrophobicContact CG2-CG 4.02Å; L346-L353 HydrophobicContact CB-CD2 3.93Å; L346-L353 HydrophobicContact CD1-CD2 4.48Å; L346-V376 HydrophobicContact CB-CG1 4.04Å; L346-V376 HydrophobicContact CD1-CG1 4.39Å; L346-V376 HydrophobicContact CD2-CG1 4.42Å; L346-A377 HydrophobicContact CD1-CB 4.18Å; L346-S380 WeakPolarHBondContact CD2-OG 3.37Å; L346-L382 HydrophobicContact CD2-CD1 4.41Å; L346-L383 HydrophobicContact CD1-CD1 3.73Å; L346-K415 WeakPolarHBondContact O-CA 3.14Å; L346-I416 PolarHBondContact N-O 3.18Å; L346-I416 PolarHBondContact O-N 2.79Å; L346-M418 HydrophobicContact CB-CE 4.4Å; L346-M418 HydrophobicContact CD1-CE 3.59Å; L346-M418 HydrophobicContact CG-CE 3.89Å
347	N	91.8	Very high	82.9	Confident	94 Å²	94	64.1 Å²	64.1	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.7	171	-65.5	-34.1	0	0	0	109	G349 V376 Q414 K415	N347-G349 PolarHBondContact O-N 3.32Å; N347-V376 WeakPolarHBondContact O-CG1 3.22Å; N347-Q414 CarbonylContact C-O 3.16Å; N347-Q414 VanDerWaalsContact CA-O 3.24Å; N347-Q414 WeakPolarHBondContact CA-O 3.34Å; N347-K415 WeakPolarHBondContact OD1-CB 3.22Å; N347-K415 VanDerWaalsContact OD1-CG 3.26Å; N347-K415 WeakPolarHBondContact OD1-CG 3.18Å
348	K	89.1	Confident	85.2	Confident	42 Å²	42	61.3 Å²	61.3	18%	0.183	33%	0.334	C	S	.	.			trans	-56.7	128.6	178	-71.8	177.8	173.9	171	0	110.6	L353 L409 K410 G412 Q414 I416	K348-L353 HydrophobicContact CG-CD2 3.78Å; K348-L353 HydrophobicContact CG-CG 4.12Å; K348-L409 VanDerWaalsContact CE-O 3.31Å; K348-L409 WeakPolarHBondContact CE-O 3.38Å; K348-L409 PolarHBondContact NZ-O 3.47Å; K348-K410 PolarHBondContact NZ-O 3.45Å; K348-G412 PolarHBondContact NZ-O 2.89Å; K348-Q414 PolarHBondContact N-O 3.19Å; K348-Q414 PolarHBondContact O-NE2 3.27Å; K348-I416 HydrophobicContact CD-CG1 4.45Å; K348-I416 HydrophobicContact CG-CG1 4.27Å
349	G	83.8	Confident	87.1	Confident	23 Å²	23	59 Å²	59	24%	0.237	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-89	-177.2	172.8	0	0	0	0	0	111.4	N347 S351 G352	N347-G349 PolarHBondContact O-N 3.32Å; G349-S351 PolarHBondContact O-N 2.78Å; G349-G352 PolarHBondContact N-O 3.41Å; G349-G352 PolarHBondContact O-N 3.28Å
350	P	80.4	Confident	88.2	Confident	148 Å²	148	52.7 Å²	52.7	96%	0.961	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.9	176.5	-21.6	31.7	0	0	0	113.1
351	S	76.1	Confident	88.5	Confident	88 Å²	88	56.1 Å²	56.1	62%	0.615	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	14.4	178.1	47.9	0	0	0	0	113.5	G349	G349-S351 PolarHBondContact O-N 2.78Å
352	G	87.6	Confident	88	Confident	26 Å²	26	59.3 Å²	59.3	27%	0.268	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	87.2	-144.4	-177.4	0	0	0	0	0	113.4	G349 V376	G349-G352 PolarHBondContact N-O 3.41Å; G349-G352 PolarHBondContact O-N 3.28Å; G352-V376 WeakPolarHBondContact O-CG2 3.37Å
353	L	89.5	Confident	87.4	Confident	19 Å²	19	60.6 Å²	60.6	10%	0.099	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-17.2	-176.3	-64.7	170.9	0	0	0	113.7	L346 K348 F355 V376 A377 L409 I416	L346-L353 HydrophobicContact CB-CD2 3.93Å; L346-L353 HydrophobicContact CD1-CD2 4.48Å; K348-L353 HydrophobicContact CG-CD2 3.78Å; K348-L353 HydrophobicContact CG-CG 4.12Å; L353-F355 HydrophobicContact CB-CD1 3.82Å; L353-F355 HydrophobicContact CB-CE1 3.51Å; L353-F355 HydrophobicContact CB-CZ 4.41Å; L353-F355 HydrophobicContact CD1-CE1 3.8Å; L353-F355 HydrophobicContact CD1-CZ 4.02Å; L353-F355 HydrophobicContact CG-CE1 4.26Å; L353-V376 WeakPolarHBondContact O-CB 3.46Å; L353-A377 VanDerWaalsContact O-CB 3.26Å; L353-A377 WeakPolarHBondContact O-CB 3.42Å; L353-A377 PolarHBondContact O-N 2.87Å; L353-L409 HydrophobicContact CD1-CD2 4.03Å; L353-I416 HydrophobicContact CD1-CG1 4.26Å; L353-I416 HydrophobicContact CD2-CB 4.43Å; L353-I416 HydrophobicContact CD2-CG1 4.15Å
354	G	85.7	Confident	87.1	Confident	8 Å²	8	52.5 Å²	52.5	8%	0.082	33%	0.328	C	S	.	.	S	Bend	trans	75.6	39.6	176.3	0	0	0	0	0	115.5	L372	G354-L372 WeakPolarHBondContact O-CB 3.43Å; G354-L372 PolarHBondContact O-N 3.14Å
355	F	87.3	Confident	87.1	Confident	25 Å²	25	52.5 Å²	52.5	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	158.2	170.1	65.8	-93.7	0	0	0	111.2	L353 I357 I368 Y370 I371 A377 L383 L389 L409 M418	L353-F355 HydrophobicContact CB-CD1 3.82Å; L353-F355 HydrophobicContact CB-CE1 3.51Å; L353-F355 HydrophobicContact CB-CZ 4.41Å; L353-F355 HydrophobicContact CD1-CE1 3.8Å; L353-F355 HydrophobicContact CD1-CZ 4.02Å; L353-F355 HydrophobicContact CG-CE1 4.26Å; F355-I357 HydrophobicContact CD2-CG2 3.99Å; F355-I357 HydrophobicContact CE2-CG2 3.68Å; F355-I368 HydrophobicContact CB-CG2 4.19Å; F355-I368 HydrophobicContact CD2-CD1 4.01Å; F355-I368 HydrophobicContact CD2-CG1 4.01Å; F355-I368 HydrophobicContact CD2-CG2 4.44Å; F355-I368 HydrophobicContact CE2-CD1 4.26Å; F355-I368 HydrophobicContact CE2-CG1 4.32Å; F355-I368 HydrophobicContact CG-CD1 4.35Å; F355-Y370 CarbonylContact C-O 3.55Å; F355-Y370 WeakPolarHBondContact CA-O 3.17Å; F355-Y370 VanDerWaalsContact CB-O 3.23Å; F355-Y370 WeakPolarHBondContact CB-O 3.23Å; F355-I371 HydrophobicContact CB-CG1 4.17Å; F355-A377 HydrophobicContact CB-CB 4.28Å; F355-A377 HydrophobicContact CD1-CB 3.76Å; F355-A377 HydrophobicContact CG-CB 4.48Å; F355-L383 HydrophobicContact CD1-CD1 3.82Å; F355-L383 HydrophobicContact CE1-CD1 3.71Å; F355-L383 HydrophobicContact CG-CD1 4.48Å; F355-L383 HydrophobicContact CZ-CD1 4.32Å; F355-L389 HydrophobicContact CE2-CD1 4.16Å; F355-L409 HydrophobicContact CE2-CD1 4.03Å; F355-L409 HydrophobicContact CZ-CD1 4.18Å; F355-L409 HydrophobicContact CZ-CD2 3.91Å; F355-M418 HydrophobicContact CE1-CE 4.21Å; F355-M418 HydrophobicContact CE1-SD 4.42Å; F355-M418 HydrophobicContact CZ-CE 4.38Å; F355-M418 HydrophobicContact CZ-SD 4.01Å
356	N	89.7	Confident	87.2	Confident	93 Å²	93	50.5 Å²	50.5	50%	0.497	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	151.3	174.8	-63.4	-10.7	0	0	0	110.7	I368 S369 Y370	N356-I368 WeakPolarHBondContact O-CA 3.23Å; N356-S369 PolarHBondContact O-N 2.97Å; N356-S369 VanDerWaalsContact O-N 3.1Å; N356-Y370 PolarHBondContact N-O 2.81Å
357	I	91.3	Very high	87.3	Confident	24 Å²	24	50.7 Å²	50.7	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.6	174.8	60.8	166.9	0	0	0	111.1	F355 I366 Y367 L389 H402 A405 A406 L409	F355-I357 HydrophobicContact CD2-CG2 3.99Å; F355-I357 HydrophobicContact CE2-CG2 3.68Å; I357-I366 HydrophobicContact CB-CG2 4.03Å; I357-I366 HydrophobicContact CD1-CG2 4.06Å; I357-I366 HydrophobicContact CG2-CG2 4.21Å; I357-Y367 CarbonylContact C-O 3.58Å; I357-Y367 WeakPolarHBondContact CA-O 3.34Å; I357-L389 HydrophobicContact CG2-CD1 3.82Å; I357-H402 PolarHBondContact O-CE1 3.49Å; I357-A405 HydrophobicContact CD1-CB 3.93Å; I357-A406 HydrophobicContact CD1-CB 4.37Å; I357-L409 HydrophobicContact CD1-CD1 4.1Å; I357-L409 HydrophobicContact CG2-CD1 4.07Å
358	V	89.4	Confident	87.2	Confident	40 Å²	40	46.2 Å²	46.2	24%	0.242	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	167	173.2	-66.2	0	0	0	0	109.9	I366 Y367 Y427 F430	V358-I366 WeakPolarHBondContact O-CA 3.15Å; V358-Y367 PolarHBondContact N-O 3.4Å; V358-Y367 PolarHBondContact O-N 3.5Å; V358-Y427 HydrophobicContact CG2-CE2 3.86Å; V358-F430 HydrophobicContact CB-CE1 3.94Å; V358-F430 HydrophobicContact CB-CZ 4.31Å; V358-F430 HydrophobicContact CG2-CD1 4.25Å; V358-F430 HydrophobicContact CG2-CE1 3.59Å; V358-F430 HydrophobicContact CG2-CZ 4.37Å
359	G	90.4	Very high	87	Confident	9 Å²	9	45.2 Å²	45.2	9%	0.093	29%	0.29	C	S	.	.			trans	86.7	-166.4	-177.9	0	0	0	0	0	112.9	G365 H402	G359-G365 WeakPolarHBondContact CA-O 3.37Å; G359-H402 WeakPolarHBondContact O-CB 3.5Å; G359-H402 PolarHBondContact O-ND1 2.77Å
360	G	88.5	Confident	86.8	Confident	13 Å²	13	48 Å²	48	13%	0.134	29%	0.294	C	S	.	.			trans	90.8	4	-172.4	0	0	0	0	0	114.4	E364 G365 A400 T401	G360-E364 WeakPolarHBondContact CA-O 3.35Å; G360-E364 PolarHBondContact N-O 3.06Å; G360-E364 VanDerWaalsContact N-O 3.13Å; G360-G365 PolarHBondContact N-O 2.86Å; G360-A400 WeakPolarHBondContact CA-O 3.37Å; G360-T401 WeakPolarHBondContact O-CA 3.42Å
361	E	83.3	Confident	86.6	Confident	127 Å²	127	42.5 Å²	42.5	59%	0.593	26%	0.256	S	S	*	.	S	Bend	trans	-106.9	147.1	173.5	-65.5	-179.9	174.5	0	0	109.8	G363 E364	E361-G363 PolarHBondContact O-N 2.87Å; E361-G363 VanDerWaalsContact O-N 3.07Å; E361-E364 VanDerWaalsContact O-CB 3.25Å; E361-E364 WeakPolarHBondContact O-CB 3.39Å; E361-E364 WeakPolarHBondContact O-CG 3.33Å; E361-E364 PolarHBondContact O-N 3.19Å
362	D	79.9	Confident	86.4	Confident	142 Å²	142	41.5 Å²	41.5	76%	0.759	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	30.8	175.6	-60.5	-29.7	0	0	0	116.3	E364	D362-E364 VanDerWaalsContact C-N 3.28Å; D362-E364 PolarHBondContact O-N 3.24Å
363	G	79.9	Confident	85.3	Confident	76 Å²	76	44.6 Å²	44.6	78%	0.784	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	8.1	-178.9	0	0	0	0	0	114.5	E361	E361-G363 PolarHBondContact O-N 2.87Å; E361-G363 VanDerWaalsContact O-N 3.07Å
364	E	87.4	Confident	84.6	Confident	50 Å²	50	46.7 Å²	46.7	23%	0.234	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.6	140.5	171.3	-62	-65.7	161.2	0	0	110.7	G360 E361 D362 F430 K433	G360-E364 WeakPolarHBondContact CA-O 3.35Å; G360-E364 PolarHBondContact N-O 3.06Å; G360-E364 VanDerWaalsContact N-O 3.13Å; E361-E364 VanDerWaalsContact O-CB 3.25Å; E361-E364 WeakPolarHBondContact O-CB 3.39Å; E361-E364 WeakPolarHBondContact O-CG 3.33Å; E361-E364 PolarHBondContact O-N 3.19Å; D362-E364 VanDerWaalsContact C-N 3.28Å; D362-E364 PolarHBondContact O-N 3.24Å; E364-F430 HydrophobicContact CB-CD2 3.88Å; E364-F430 HydrophobicContact CB-CE2 3.98Å; E364-F430 HydrophobicContact CG-CD2 3.77Å; E364-F430 HydrophobicContact CG-CE2 4.02Å; E364-K433 WeakPolarHBondContact OE1-CD 3.34Å; E364-K433 IonicContact OE1-NZ 3.36Å; E364-K433 PolarHBondContact OE1-NZ 3.26Å
365	G	91.9	Very high	84.3	Confident	6 Å²	6	46.5 Å²	46.5	6%	0.062	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.7	167	176.5	0	0	0	0	0	113.5	G359 G360 Y367	G359-G365 WeakPolarHBondContact CA-O 3.37Å; G360-G365 PolarHBondContact N-O 2.86Å; G365-Y367 WeakPolarHBondContact O-CD2 3.47Å; G365-Y367 VanDerWaalsContact O-CE2 3.23Å; G365-Y367 WeakPolarHBondContact O-CE2 3.46Å
366	I	95.7	Very high	84.3	Confident	0 Å²	0	47 Å²	47	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.2	172	-55.1	-65.9	0	0	0	109.5	I357 V358 Q388 L389 A405	I357-I366 HydrophobicContact CB-CG2 4.03Å; I357-I366 HydrophobicContact CD1-CG2 4.06Å; I357-I366 HydrophobicContact CG2-CG2 4.21Å; V358-I366 WeakPolarHBondContact O-CA 3.15Å; I366-Q388 CarbonylContact O-C 3.51Å; I366-Q388 VanDerWaalsContact O-CA 3.3Å; I366-Q388 WeakPolarHBondContact O-CA 3.45Å; I366-Q388 WeakPolarHBondContact O-CG 3.29Å; I366-L389 HydrophobicContact CB-CB 4.44Å; I366-L389 HydrophobicContact CG2-CB 4.24Å; I366-L389 HydrophobicContact CG2-CD1 4.19Å; I366-L389 PolarHBondContact O-N 2.94Å; I366-A405 HydrophobicContact CB-CB 4.44Å; I366-A405 HydrophobicContact CD1-CB 3.67Å; I366-A405 HydrophobicContact CG1-CB 3.72Å; I366-A405 HydrophobicContact CG2-CB 3.96Å
367	Y	94.2	Very high	84.2	Confident	11 Å²	11	42.5 Å²	42.5	4%	0.043	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.6	-177.5	-58.8	-85.2	0	0	0	112.6	I357 V358 G365 S369 D387 Q388 D426 Y427 F430	I357-Y367 CarbonylContact C-O 3.58Å; I357-Y367 WeakPolarHBondContact CA-O 3.34Å; V358-Y367 PolarHBondContact N-O 3.4Å; V358-Y367 PolarHBondContact O-N 3.5Å; G365-Y367 WeakPolarHBondContact O-CD2 3.47Å; G365-Y367 VanDerWaalsContact O-CE2 3.23Å; G365-Y367 WeakPolarHBondContact O-CE2 3.46Å; Y367-S369 PolarHBondContact O-N 2.8Å; Y367-D387 CarbonylContact C-O 3.49Å; Y367-D387 WeakPolarHBondContact CA-O 3.48Å; Y367-Q388 HydrophobicContact CD1-CB 3.82Å; Y367-Q388 HydrophobicContact CD1-CG 4.14Å; Y367-Q388 HydrophobicContact CE1-CB 3.76Å; Y367-Q388 HydrophobicContact CE1-CG 3.9Å; Y367-D426 HydrophobicContact CE1-CB 4.13Å; Y367-D426 WeakPolarHBondContact OH-CB 3.33Å; Y367-Y427 VanDerWaalsContact CB-CD2 3.43Å; Y367-Y427 HydrophobicContact CD1-CD2 4.08Å; Y367-Y427 HydrophobicContact CD2-CD2 4.29Å; Y367-Y427 AromaticContact CG-CD2 3.69Å; Y367-Y427 HydrophobicContact CG-CD2 3.69Å; Y367-F430 HydrophobicContact CD2-CD1 4.5Å; Y367-F430 HydrophobicContact CD2-CG 4.43Å; Y367-F430 HydrophobicContact CE2-CB 4.31Å; Y367-F430 HydrophobicContact CE2-CG 4.39Å
368	I	90.2	Very high	83.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.1	168	-62	-175.3	0	0	0	109.3	F355 N356 I371 L383 K385 G386 D387 L389	F355-I368 HydrophobicContact CB-CG2 4.19Å; F355-I368 HydrophobicContact CD2-CD1 4.01Å; F355-I368 HydrophobicContact CD2-CG1 4.01Å; F355-I368 HydrophobicContact CD2-CG2 4.44Å; F355-I368 HydrophobicContact CE2-CD1 4.26Å; F355-I368 HydrophobicContact CE2-CG1 4.32Å; F355-I368 HydrophobicContact CG-CD1 4.35Å; N356-I368 WeakPolarHBondContact O-CA 3.23Å; I368-I371 HydrophobicContact CG2-CD1 4.39Å; I368-I371 HydrophobicContact CG2-CG1 3.83Å; I368-L383 HydrophobicContact CD1-CB 3.95Å; I368-L383 HydrophobicContact CD1-CD1 3.83Å; I368-L383 HydrophobicContact CD1-CD2 3.67Å; I368-L383 HydrophobicContact CD1-CG 4.03Å; I368-K385 WeakPolarHBondContact O-CA 3.3Å; I368-G386 PolarHBondContact O-N 3.33Å; I368-D387 HydrophobicContact CD1-CB 4.19Å; I368-D387 HydrophobicContact CG1-CB 4.43Å; I368-D387 PolarHBondContact N-O 2.74Å; I368-L389 HydrophobicContact CD1-CD2 4.24Å; I368-L389 HydrophobicContact CG1-CD2 4.42Å; I368-L389 HydrophobicContact CG1-CG 4.4Å
369	S	84.9	Confident	83.6	Confident	22 Å²	22	48.6 Å²	48.6	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-29.6	178.1	55.6	0	0	0	0	113.3	N356 Y367 K385 Y427	N356-S369 PolarHBondContact O-N 2.97Å; N356-S369 VanDerWaalsContact O-N 3.1Å; Y367-S369 PolarHBondContact O-N 2.8Å; S369-K385 WeakPolarHBondContact O-CD 3.23Å; S369-K385 VanDerWaalsContact O-CE 3.23Å; S369-K385 WeakPolarHBondContact O-CE 3.41Å; S369-K385 WeakPolarHBondContact O-CG 3.5Å; S369-Y427 WeakPolarHBondContact CA-OH 3.15Å
370	Y	80.3	Confident	83.5	Confident	82 Å²	82	50 Å²	50	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.1	-174.3	178	-97.7	0	0	0	111.1	F355 N356 L372 P373	F355-Y370 CarbonylContact C-O 3.55Å; F355-Y370 WeakPolarHBondContact CA-O 3.17Å; F355-Y370 VanDerWaalsContact CB-O 3.23Å; F355-Y370 WeakPolarHBondContact CB-O 3.23Å; N356-Y370 PolarHBondContact N-O 2.81Å; Y370-L372 VanDerWaalsContact CE1-CA 3.49Å; Y370-L372 HydrophobicContact CE1-CB 4.04Å; Y370-L372 HydrophobicContact CE1-CD1 4.16Å; Y370-P373 WeakPolarHBondContact OH-CD 3.3Å
371	I	74.6	Confident	83.4	Confident	31 Å²	31	51.7 Å²	51.7	16%	0.159	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.5	171.7	-64.1	-177.9	0	0	0	107.1	F355 I368 P373 A377 D378 L383 R384	F355-I371 HydrophobicContact CB-CG1 4.17Å; I368-I371 HydrophobicContact CG2-CD1 4.39Å; I368-I371 HydrophobicContact CG2-CG1 3.83Å; I371-P373 VanDerWaalsContact O-CD 3.29Å; I371-P373 WeakPolarHBondContact O-CD 3.24Å; I371-A377 HydrophobicContact CG2-CB 4.1Å; I371-D378 HydrophobicContact CG2-CB 3.77Å; I371-L383 VanDerWaalsContact CD1-C 3.41Å; I371-L383 HydrophobicContact CD1-CB 4.01Å; I371-L383 WeakPolarHBondContact CD1-O 3.41Å; I371-R384 VanDerWaalsContact CD1-CA 3.47Å
372	L	72.1	Confident	83.7	Confident	68 Å²	68	49.5 Å²	49.5	36%	0.356	32%	0.317	S	S	.	.			trans	-72.2	116.9	-178.7	-179.2	68.8	0	0	0	110.1	G354 Y370 G374 G375 D378	G354-L372 WeakPolarHBondContact O-CB 3.43Å; G354-L372 PolarHBondContact O-N 3.14Å; Y370-L372 VanDerWaalsContact CE1-CA 3.49Å; Y370-L372 HydrophobicContact CE1-CB 4.04Å; Y370-L372 HydrophobicContact CE1-CD1 4.16Å; L372-G374 PolarHBondContact O-N 2.94Å; L372-G375 WeakPolarHBondContact O-CA 3.3Å; L372-G375 PolarHBondContact O-N 3.18Å; L372-D378 VanDerWaalsContact O-CB 3.29Å; L372-D378 WeakPolarHBondContact O-CB 3.36Å
373	P	65.7	Low	84.2	Confident	91 Å²	91	43 Å²	43	59%	0.591	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	132.4	175.7	-25.9	35.8	0	0	0	111.8	Y370 I371 G375 D378	Y370-P373 WeakPolarHBondContact OH-CD 3.3Å; I371-P373 VanDerWaalsContact O-CD 3.29Å; I371-P373 WeakPolarHBondContact O-CD 3.24Å; P373-G375 PolarHBondContact O-N 2.82Å; P373-D378 WeakPolarHBondContact CA-OD2 3.16Å
374	G	74	Confident	84.6	Confident	62 Å²	62	44.7 Å²	44.7	64%	0.639	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	-3.5	-174.2	0	0	0	0	0	115.2	L372 D378	L372-G374 PolarHBondContact O-N 2.94Å; G374-D378 PolarHBondContact N-OD2 3.2Å
375	G	79.2	Confident	84.5	Confident	5 Å²	5	47.4 Å²	47.4	5%	0.052	28%	0.276	C	S	.	.	S	Bend	trans	-73.7	171.5	173.9	0	0	0	0	0	113.1	L372 P373 A377 D378 V379	L372-G375 WeakPolarHBondContact O-CA 3.3Å; L372-G375 PolarHBondContact O-N 3.18Å; P373-G375 PolarHBondContact O-N 2.82Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.22Å; G375-D378 PolarHBondContact O-N 2.82Å; G375-V379 VanDerWaalsContact O-CG2 3.32Å; G375-V379 WeakPolarHBondContact O-CG2 3.15Å; G375-V379 PolarHBondContact O-N 2.99Å
376	V	87.9	Confident	84.3	Confident	34 Å²	34	47.2 Å²	47.2	21%	0.206	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-43.9	-177.5	171.8	0	0	0	0	112.6	L346 N347 G352 L353 S380	L346-V376 HydrophobicContact CB-CG1 4.04Å; L346-V376 HydrophobicContact CD1-CG1 4.39Å; L346-V376 HydrophobicContact CD2-CG1 4.42Å; N347-V376 WeakPolarHBondContact O-CG1 3.22Å; G352-V376 WeakPolarHBondContact O-CG2 3.37Å; L353-V376 WeakPolarHBondContact O-CB 3.46Å; V376-S380 WeakPolarHBondContact O-CB 3.26Å; V376-S380 PolarHBondContact O-N 2.75Å
377	A	86.4	Confident	84.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-41.9	179	0	0	0	0	0	112.5	L346 L353 F355 I371 G375 S380 G381 L383	L346-A377 HydrophobicContact CD1-CB 4.18Å; L353-A377 VanDerWaalsContact O-CB 3.26Å; L353-A377 WeakPolarHBondContact O-CB 3.42Å; L353-A377 PolarHBondContact O-N 2.87Å; F355-A377 HydrophobicContact CB-CB 4.28Å; F355-A377 HydrophobicContact CD1-CB 3.76Å; F355-A377 HydrophobicContact CG-CB 4.48Å; I371-A377 HydrophobicContact CG2-CB 4.1Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 3.22Å; A377-S380 PolarHBondContact O-N 2.95Å; A377-S380 PolarHBondContact O-OG 2.78Å; A377-G381 PolarHBondContact O-N 3.5Å; A377-L383 HydrophobicContact CB-CD1 3.99Å
378	D	84.6	Confident	84.3	Confident	78 Å²	78	47.3 Å²	47.3	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-53	176.5	-175.2	38.3	0	0	0	111.3	I371 L372 P373 G374 G375 S380 G381	I371-D378 HydrophobicContact CG2-CB 3.77Å; L372-D378 VanDerWaalsContact O-CB 3.29Å; L372-D378 WeakPolarHBondContact O-CB 3.36Å; P373-D378 WeakPolarHBondContact CA-OD2 3.16Å; G374-D378 PolarHBondContact N-OD2 3.2Å; G375-D378 PolarHBondContact O-N 2.82Å; D378-S380 PolarHBondContact O-N 3.32Å; D378-S380 VanDerWaalsContact O-N 3.15Å; D378-G381 PolarHBondContact O-N 2.69Å
379	V	84.7	Confident	84.6	Confident	113 Å²	113	47.3 Å²	47.3	69%	0.685	28%	0.275	S	S	*	.	H	α-helix	trans	-59.6	-31.7	179.3	175	0	0	0	0	111.9	G375 G381	G375-V379 VanDerWaalsContact O-CG2 3.32Å; G375-V379 WeakPolarHBondContact O-CG2 3.15Å; G375-V379 PolarHBondContact O-N 2.99Å; V379-G381 VanDerWaalsContact C-N 3.35Å
380	S	87.7	Confident	85.1	Confident	39 Å²	39	46.6 Å²	46.6	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-69.3	-31.4	175.9	81.2	0	0	0	0	113.4	L346 V376 A377 D378 L382	L346-S380 WeakPolarHBondContact CD2-OG 3.37Å; V376-S380 WeakPolarHBondContact O-CB 3.26Å; V376-S380 PolarHBondContact O-N 2.75Å; A377-S380 PolarHBondContact O-N 2.95Å; A377-S380 PolarHBondContact O-OG 2.78Å; D378-S380 PolarHBondContact O-N 3.32Å; D378-S380 VanDerWaalsContact O-N 3.15Å; S380-L382 WeakPolarHBondContact O-CG 3.32Å; S380-L382 PolarHBondContact O-N 2.69Å; S380-L382 VanDerWaalsContact O-N 3.11Å; S380-L382 PolarHBondContact OG-N 2.79Å; S380-L382 VanDerWaalsContact OG-N 3.15Å
381	G	86.6	Confident	85.8	Confident	49 Å²	49	45.4 Å²	45.4	51%	0.505	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	7.6	-170.9	0	0	0	0	0	115.3	A377 D378 V379	A377-G381 PolarHBondContact O-N 3.5Å; D378-G381 PolarHBondContact O-N 2.69Å; V379-G381 VanDerWaalsContact C-N 3.35Å
382	L	89.9	Confident	86.8	Confident	80 Å²	80	44 Å²	44	42%	0.419	26%	0.259	S	S	.	.			trans	-87.1	-22.8	-173.2	-61.4	-179.2	0	0	0	113.6	I344 L346 S380	I344-L382 HydrophobicContact CD1-CB 4.32Å; I344-L382 VanDerWaalsContact CD1-O 3.3Å; I344-L382 WeakPolarHBondContact CD1-O 3.4Å; I344-L382 HydrophobicContact CG1-CB 4.23Å; I344-L382 HydrophobicContact CG2-CB 3.83Å; I344-L382 HydrophobicContact CG2-CD1 3.92Å; L346-L382 HydrophobicContact CD2-CD1 4.41Å; S380-L382 WeakPolarHBondContact O-CG 3.32Å; S380-L382 PolarHBondContact O-N 2.69Å; S380-L382 VanDerWaalsContact O-N 3.11Å; S380-L382 PolarHBondContact OG-N 2.79Å; S380-L382 VanDerWaalsContact OG-N 3.15Å
383	L	90.6	Very high	87.8	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	26%	0.256	C	S	.	.			trans	-110.3	153	179.8	-68.2	173.7	0	0	0	110.9	I344 L346 F355 I368 I371 A377 D387 M418 A420	I344-L383 HydrophobicContact CD1-CD2 3.3Å; I344-L383 HydrophobicContact CD1-CG 4.06Å; I344-L383 HydrophobicContact CG2-CD2 4.49Å; I344-L383 HydrophobicContact CG2-CG 4.43Å; L346-L383 HydrophobicContact CD1-CD1 3.73Å; F355-L383 HydrophobicContact CD1-CD1 3.82Å; F355-L383 HydrophobicContact CE1-CD1 3.71Å; F355-L383 HydrophobicContact CG-CD1 4.48Å; F355-L383 HydrophobicContact CZ-CD1 4.32Å; I368-L383 HydrophobicContact CD1-CB 3.95Å; I368-L383 HydrophobicContact CD1-CD1 3.83Å; I368-L383 HydrophobicContact CD1-CD2 3.67Å; I368-L383 HydrophobicContact CD1-CG 4.03Å; I371-L383 VanDerWaalsContact CD1-C 3.41Å; I371-L383 HydrophobicContact CD1-CB 4.01Å; I371-L383 WeakPolarHBondContact CD1-O 3.41Å; A377-L383 HydrophobicContact CB-CD1 3.99Å; L383-D387 WeakPolarHBondContact CA-OD2 3.15Å; L383-M418 HydrophobicContact CD1-CE 3.87Å; L383-A420 HydrophobicContact CD2-CB 4.07Å
384	R	87.8	Confident	89	Confident	110 Å²	110	41.8 Å²	41.8	42%	0.415	26%	0.257	S	S	.	.			trans	-139.6	152.3	177.6	-59.3	177.8	-172.3	155.9	1.8	110.9	I371 G386 D387 Y422	I371-R384 VanDerWaalsContact CD1-CA 3.47Å; R384-G386 PolarHBondContact O-N 2.98Å; R384-D387 PolarHBondContact N-OD2 3.04Å; R384-D387 WeakPolarHBondContact O-CB 3.32Å; R384-D387 PolarHBondContact O-N 3.27Å; R384-Y422 HydrophobicContact CB-CD2 4.29Å; R384-Y422 HydrophobicContact CB-CE2 4.24Å
385	K	86.1	Confident	89.9	Confident	108 Å²	108	42.9 Å²	42.9	47%	0.47	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	130.6	165.2	178.8	174.3	-178.9	174.1	0	109.2	I368 S369 Y422 Y427 E431	I368-K385 WeakPolarHBondContact O-CA 3.3Å; S369-K385 WeakPolarHBondContact O-CD 3.23Å; S369-K385 VanDerWaalsContact O-CE 3.23Å; S369-K385 WeakPolarHBondContact O-CE 3.41Å; S369-K385 WeakPolarHBondContact O-CG 3.5Å; K385-Y422 WeakPolarHBondContact O-CE2 3.26Å; K385-Y427 HydrophobicContact CD-CE1 4.47Å; K385-Y427 VanDerWaalsContact CE-CE1 3.47Å; K385-Y427 WeakPolarHBondContact CE-OH 3.42Å; K385-Y427 HydrophobicContact CG-CE1 4.12Å; K385-E431 IonicContact NZ-OE1 3.47Å; K385-E431 PolarHBondContact NZ-OE1 3.01Å
386	G	86.8	Confident	90.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	4.7	-174.5	0	0	0	0	0	115.4	I368 R384 R423	I368-G386 PolarHBondContact O-N 3.33Å; R384-G386 PolarHBondContact O-N 2.98Å; G386-R423 CarbonylContact O-C 3.19Å; G386-R423 PolarHBondContact O-N 3.39Å
387	D	94.3	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.9	164.1	-82.5	-18.9	0	0	0	110.1	R342 Y367 I368 L383 R384 A420 Y422	R342-D387 IonicContact CZ-OD1 2.77Å; R342-D387 IonicContact NH2-OD1 3.17Å; R342-D387 PolarHBondContact NH2-OD1 2.85Å; R342-D387 IonicContact NH2-OD2 3.45Å; R342-D387 PolarHBondContact NH2-OD2 2.64Å; Y367-D387 CarbonylContact C-O 3.49Å; Y367-D387 WeakPolarHBondContact CA-O 3.48Å; I368-D387 HydrophobicContact CD1-CB 4.19Å; I368-D387 HydrophobicContact CG1-CB 4.43Å; I368-D387 PolarHBondContact N-O 2.74Å; L383-D387 WeakPolarHBondContact CA-OD2 3.15Å; R384-D387 PolarHBondContact N-OD2 3.04Å; R384-D387 WeakPolarHBondContact O-CB 3.32Å; R384-D387 PolarHBondContact O-N 3.27Å; D387-A420 HydrophobicContact CB-CB 4.36Å; D387-Y422 WeakPolarHBondContact OD1-CA 3.32Å; D387-Y422 WeakPolarHBondContact OD1-CB 3.18Å; D387-Y422 WeakPolarHBondContact OD1-CD2 3.38Å; D387-Y422 PolarHBondContact OD1-N 3.13Å
388	Q	95.8	Very high	91.3	Very high	13 Å²	13	51.5 Å²	51.5	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.4	166.9	-169.3	-176	7.3	0	0	109.5	I366 Y367 L390 A420 A421 R423	I366-Q388 CarbonylContact O-C 3.51Å; I366-Q388 VanDerWaalsContact O-CA 3.3Å; I366-Q388 WeakPolarHBondContact O-CA 3.45Å; I366-Q388 WeakPolarHBondContact O-CG 3.29Å; Y367-Q388 HydrophobicContact CD1-CB 3.82Å; Y367-Q388 HydrophobicContact CD1-CG 4.14Å; Y367-Q388 HydrophobicContact CE1-CB 3.76Å; Y367-Q388 HydrophobicContact CE1-CG 3.9Å; Q388-L390 HydrophobicContact CG-CD2 4.1Å; Q388-A420 CarbonylContact O-C 3.5Å; Q388-A420 VanDerWaalsContact O-CA 3.28Å; Q388-A420 WeakPolarHBondContact O-CA 3.41Å; Q388-A421 PolarHBondContact N-O 2.79Å; Q388-A421 PolarHBondContact O-N 3.35Å; Q388-R423 HydrophobicContact CB-CG 4.44Å
389	L	96.1	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.8	171.6	-62.1	-178.4	0	0	0	109.4	F355 I357 I366 I368 L397 L409 M418 A420	F355-L389 HydrophobicContact CE2-CD1 4.16Å; I357-L389 HydrophobicContact CG2-CD1 3.82Å; I366-L389 HydrophobicContact CB-CB 4.44Å; I366-L389 HydrophobicContact CG2-CB 4.24Å; I366-L389 HydrophobicContact CG2-CD1 4.19Å; I366-L389 PolarHBondContact O-N 2.94Å; I368-L389 HydrophobicContact CD1-CD2 4.24Å; I368-L389 HydrophobicContact CG1-CD2 4.42Å; I368-L389 HydrophobicContact CG1-CG 4.4Å; L389-L397 HydrophobicContact CB-CD1 4.13Å; L389-L409 HydrophobicContact CD1-CD1 4.1Å; L389-M418 HydrophobicContact CD2-SD 4.37Å; L389-A420 HydrophobicContact CD2-CB 4.01Å
390	L	96.1	Very high	91.9	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-29.6	-178	-56.1	178.7	0	0	0	112.3	P341 Q388 L397 R398 L419 A421	P341-L390 HydrophobicContact CB-CD1 4.01Å; P341-L390 HydrophobicContact CG-CD1 3.92Å; Q388-L390 HydrophobicContact CG-CD2 4.1Å; L390-L397 PolarHBondContact O-N 2.63Å; L390-R398 HydrophobicContact CD2-CG 4.13Å; L390-L419 WeakPolarHBondContact CA-O 3.5Å; L390-L419 HydrophobicContact CB-CB 4.34Å; L390-L419 HydrophobicContact CB-CD2 4.15Å; L390-L419 HydrophobicContact CB-CG 4.28Å; L390-L419 WeakPolarHBondContact CB-O 3.25Å; L390-L419 HydrophobicContact CD1-CD2 4.3Å; L390-L419 HydrophobicContact CD1-CG 4.38Å; L390-L419 PolarHBondContact N-O 3.42Å; L390-A421 HydrophobicContact CD1-CB 3.86Å; L390-A421 HydrophobicContact CG-CB 4.46Å
391	E	95.9	Very high	92.1	Very high	58 Å²	58	50.7 Å²	50.7	27%	0.271	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.7	-179	-166.7	-168.1	124.2	0	0	109.9	G394 I395 M418 L419	E391-G394 WeakPolarHBondContact OE1-CA 3.49Å; E391-G394 PolarHBondContact OE1-N 2.86Å; E391-I395 CarbonylContact C-O 3.59Å; E391-I395 WeakPolarHBondContact CA-O 3.48Å; E391-I395 WeakPolarHBondContact CG-O 3.31Å; E391-M418 CarbonylContact O-C 3.51Å; E391-M418 VanDerWaalsContact O-CA 3.23Å; E391-M418 WeakPolarHBondContact O-CA 3.38Å; E391-L419 HydrophobicContact CB-CB 3.63Å; E391-L419 HydrophobicContact CB-CD2 4.46Å; E391-L419 PolarHBondContact N-O 2.92Å; E391-L419 PolarHBondContact O-N 3.08Å
392	V	95.4	Very high	92.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	120	170	175.6	0	0	0	0	109.2	G394 I395 L397 A408 L409 I416 Y417 M418	V392-G394 VanDerWaalsContact C-N 3.26Å; V392-G394 PolarHBondContact O-N 2.95Å; V392-I395 PolarHBondContact N-O 2.75Å; V392-I395 VanDerWaalsContact O-CB 3.26Å; V392-I395 WeakPolarHBondContact O-CB 3.42Å; V392-I395 PolarHBondContact O-N 2.78Å; V392-L397 HydrophobicContact CB-CD1 4.1Å; V392-L397 HydrophobicContact CG2-CD1 3.4Å; V392-L397 HydrophobicContact CG2-CG 4.27Å; V392-A408 HydrophobicContact CB-CB 4.16Å; V392-A408 HydrophobicContact CG1-CB 4.25Å; V392-A408 WeakPolarHBondContact CG1-O 3.34Å; V392-L409 HydrophobicContact CG1-CD2 4.01Å; V392-L409 HydrophobicContact CG1-CG 4.48Å; V392-L409 HydrophobicContact CG2-CD2 3.72Å; V392-L409 HydrophobicContact CG2-CG 4.2Å; V392-I416 HydrophobicContact CG1-CG2 3.86Å; V392-Y417 CarbonylContact C-O 3.41Å; V392-Y417 WeakPolarHBondContact CA-O 3.37Å; V392-M418 HydrophobicContact CG2-CG 4.05Å; V392-M418 HydrophobicContact CG2-SD 4.48Å
393	N	92.2	Very high	92.3	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	39.8	-179.5	-63.4	-35	0	0	0	114.2	I395 G412 I416 Y417	N393-I395 VanDerWaalsContact C-N 3.28Å; N393-I395 PolarHBondContact O-N 2.75Å; N393-G412 WeakPolarHBondContact ND2-CA 3.23Å; N393-I416 WeakPolarHBondContact ND2-CD1 3.39Å; N393-Y417 PolarHBondContact N-O 3.12Å; N393-Y417 PolarHBondContact OD1-N 3.01Å
394	G	90.5	Very high	92.5	Very high	58 Å²	58	58.4 Å²	58.4	60%	0.598	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-7	-176.7	0	0	0	0	0	114.9	E391 V392	E391-G394 WeakPolarHBondContact OE1-CA 3.49Å; E391-G394 PolarHBondContact OE1-N 2.86Å; V392-G394 VanDerWaalsContact C-N 3.26Å; V392-G394 PolarHBondContact O-N 2.95Å
395	I	93.4	Very high	92.7	Very high	84 Å²	84	53.2 Å²	53.2	43%	0.431	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.3	175.8	-55.2	172.3	0	0	0	108.2	E391 V392 N393 L397 A408	E391-I395 CarbonylContact C-O 3.59Å; E391-I395 WeakPolarHBondContact CA-O 3.48Å; E391-I395 WeakPolarHBondContact CG-O 3.31Å; V392-I395 PolarHBondContact N-O 2.75Å; V392-I395 VanDerWaalsContact O-CB 3.26Å; V392-I395 WeakPolarHBondContact O-CB 3.42Å; V392-I395 PolarHBondContact O-N 2.78Å; N393-I395 VanDerWaalsContact C-N 3.28Å; N393-I395 PolarHBondContact O-N 2.75Å; I395-L397 HydrophobicContact CG2-CD2 4.23Å; I395-A408 HydrophobicContact CD1-CB 4.02Å
396	D	94.8	Very high	93	Very high	90 Å²	90	49 Å²	49	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.6	175.1	-168.9	-11.3	0	0	0	110.2	R398	D396-R398 WeakPolarHBondContact OD1-CB 3.32Å; D396-R398 WeakPolarHBondContact OD1-CD 3.47Å; D396-R398 WeakPolarHBondContact OD1-CG 3.36Å; D396-R398 PolarHBondContact OD1-N 2.69Å; D396-R398 IonicContact OD1-NE 3.49Å; D396-R398 PolarHBondContact OD1-NE 3.17Å; D396-R398 IonicContact OD2-NE 2.83Å
397	L	95.2	Very high	93.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.279	C	S	.	.			trans	-109.4	3	-178.3	-63.6	-169	0	0	0	113.8	L389 L390 V392 I395 N399 A400 A405 A408	L389-L397 HydrophobicContact CB-CD1 4.13Å; L390-L397 PolarHBondContact O-N 2.63Å; V392-L397 HydrophobicContact CB-CD1 4.1Å; V392-L397 HydrophobicContact CG2-CD1 3.4Å; V392-L397 HydrophobicContact CG2-CG 4.27Å; I395-L397 HydrophobicContact CG2-CD2 4.23Å; L397-N399 PolarHBondContact O-N 2.73Å; L397-N399 VanDerWaalsContact O-N 3.11Å; L397-A400 HydrophobicContact CB-CB 4.26Å; L397-A400 HydrophobicContact CD2-CB 3.75Å; L397-A400 PolarHBondContact O-N 2.72Å; L397-A405 HydrophobicContact CD1-CB 4.09Å; L397-A405 HydrophobicContact CD2-CB 4.28Å; L397-A408 HydrophobicContact CD2-CB 4.12Å
398	R	92.8	Very high	93.2	Very high	129 Å²	129	51.6 Å²	51.6	49%	0.487	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.6	-174.4	-69.6	167.1	-153.9	-171.5	6.3	113.9	L390 D396	L390-R398 HydrophobicContact CD2-CG 4.13Å; D396-R398 WeakPolarHBondContact OD1-CB 3.32Å; D396-R398 WeakPolarHBondContact OD1-CD 3.47Å; D396-R398 WeakPolarHBondContact OD1-CG 3.36Å; D396-R398 PolarHBondContact OD1-N 2.69Å; D396-R398 IonicContact OD1-NE 3.49Å; D396-R398 PolarHBondContact OD1-NE 3.17Å; D396-R398 IonicContact OD2-NE 2.83Å
399	N	90.4	Very high	93.1	Very high	154 Å²	154	51.8 Å²	51.8	82%	0.824	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	19	179.6	-57.1	-34.3	0	0	0	112	L397	L397-N399 PolarHBondContact O-N 2.73Å; L397-N399 VanDerWaalsContact O-N 3.11Å
400	A	91.6	Very high	92.7	Very high	8 Å²	8	59.5 Å²	59.5	7%	0.066	32%	0.315	C	S	.	.			trans	-77.2	148.8	-178.4	0	0	0	0	0	110.9	G360 L397 E404	G360-A400 WeakPolarHBondContact CA-O 3.37Å; L397-A400 HydrophobicContact CB-CB 4.26Å; L397-A400 HydrophobicContact CD2-CB 3.75Å; L397-A400 PolarHBondContact O-N 2.72Å; A400-E404 WeakPolarHBondContact CA-OE2 3.41Å; A400-E404 HydrophobicContact CB-CB 4.05Å
401	T	92.9	Very high	91.9	Very high	52 Å²	52	63.3 Å²	63.3	32%	0.319	34%	0.343	S	S	.	.			trans	-70	165.5	169.9	83.4	0	0	0	0	111.3	G360 E403 E404 A405	G360-T401 WeakPolarHBondContact O-CA 3.42Å; T401-E403 WeakPolarHBondContact CB-OE2 3.49Å; T401-E403 PolarHBondContact O-N 3.4Å; T401-E403 PolarHBondContact OG1-N 2.82Å; T401-E403 PolarHBondContact OG1-OE2 2.72Å; T401-E404 HydrophobicContact CG2-CG 4.47Å; T401-E404 PolarHBondContact N-OE2 3.33Å; T401-E404 PolarHBondContact O-N 3.35Å; T401-E404 PolarHBondContact OG1-N 3.17Å; T401-A405 WeakPolarHBondContact O-CB 3.45Å; T401-A405 PolarHBondContact O-N 2.83Å
402	H	87.8	Confident	90.6	Very high	65 Å²	65	61.2 Å²	61.2	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-53.5	-45.3	173.3	-173.6	84	0	0	0	111.6	I357 G359 A405 A406	I357-H402 PolarHBondContact O-CE1 3.49Å; G359-H402 WeakPolarHBondContact O-CB 3.5Å; G359-H402 PolarHBondContact O-ND1 2.77Å; H402-A405 PolarHBondContact O-N 3.2Å; H402-A406 WeakPolarHBondContact O-CB 3.33Å; H402-A406 PolarHBondContact O-N 2.84Å
403	E	92.6	Very high	89.8	Confident	124 Å²	124	63.8 Å²	63.8	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-43.2	179.6	-61.7	73	-158	0	0	112	T401 A406 A407	T401-E403 WeakPolarHBondContact CB-OE2 3.49Å; T401-E403 PolarHBondContact O-N 3.4Å; T401-E403 PolarHBondContact OG1-N 2.82Å; T401-E403 PolarHBondContact OG1-OE2 2.72Å; E403-A406 PolarHBondContact O-N 2.9Å; E403-A407 VanDerWaalsContact O-CB 3.23Å; E403-A407 WeakPolarHBondContact O-CB 3.26Å; E403-A407 PolarHBondContact O-N 2.84Å
404	E	93.1	Very high	89.6	Confident	109 Å²	109	67.5 Å²	67.5	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-42.9	178	-70.7	177.3	154.8	0	0	111.4	A400 T401 A407 A408	A400-E404 WeakPolarHBondContact CA-OE2 3.41Å; A400-E404 HydrophobicContact CB-CB 4.05Å; T401-E404 HydrophobicContact CG2-CG 4.47Å; T401-E404 PolarHBondContact N-OE2 3.33Å; T401-E404 PolarHBondContact O-N 3.35Å; T401-E404 PolarHBondContact OG1-N 3.17Å; E404-A407 PolarHBondContact O-N 2.79Å; E404-A408 WeakPolarHBondContact O-CB 3.19Å; E404-A408 PolarHBondContact O-N 3.15Å
405	A	93.8	Very high	89.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175.8	0	0	0	0	0	112.1	I357 I366 L397 T401 H402 A407 A408 L409	I357-A405 HydrophobicContact CD1-CB 3.93Å; I366-A405 HydrophobicContact CB-CB 4.44Å; I366-A405 HydrophobicContact CD1-CB 3.67Å; I366-A405 HydrophobicContact CG1-CB 3.72Å; I366-A405 HydrophobicContact CG2-CB 3.96Å; L397-A405 HydrophobicContact CD1-CB 4.09Å; L397-A405 HydrophobicContact CD2-CB 4.28Å; T401-A405 WeakPolarHBondContact O-CB 3.45Å; T401-A405 PolarHBondContact O-N 2.83Å; H402-A405 PolarHBondContact O-N 3.2Å; A405-A407 VanDerWaalsContact C-N 3.32Å; A405-A407 PolarHBondContact O-N 2.72Å; A405-A408 PolarHBondContact O-N 3.17Å; A405-L409 WeakPolarHBondContact O-CG 3.49Å; A405-L409 PolarHBondContact O-N 2.99Å
406	A	92.2	Very high	89.6	Confident	20 Å²	20	65.5 Å²	65.5	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-40.7	174.6	0	0	0	0	0	111.5	I357 H402 E403 L409 K410	I357-A406 HydrophobicContact CD1-CB 4.37Å; H402-A406 WeakPolarHBondContact O-CB 3.33Å; H402-A406 PolarHBondContact O-N 2.84Å; E403-A406 PolarHBondContact O-N 2.9Å; A406-L409 PolarHBondContact O-N 2.69Å; A406-K410 WeakPolarHBondContact O-CB 3.43Å; A406-K410 VanDerWaalsContact O-CG 3.23Å; A406-K410 WeakPolarHBondContact O-CG 3.41Å; A406-K410 PolarHBondContact O-N 2.89Å
407	A	92.5	Very high	89.6	Confident	51 Å²	51	67.1 Å²	67.1	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-42.6	175.8	0	0	0	0	0	111.7	E403 E404 A405 L409 K410 S411	E403-A407 VanDerWaalsContact O-CB 3.23Å; E403-A407 WeakPolarHBondContact O-CB 3.26Å; E403-A407 PolarHBondContact O-N 2.84Å; E404-A407 PolarHBondContact O-N 2.79Å; A405-A407 VanDerWaalsContact C-N 3.32Å; A405-A407 PolarHBondContact O-N 2.72Å; A407-L409 PolarHBondContact O-N 2.78Å; A407-K410 PolarHBondContact O-N 3.16Å; A407-S411 WeakPolarHBondContact O-CB 3.49Å; A407-S411 PolarHBondContact O-N 2.82Å; A407-S411 PolarHBondContact O-OG 2.91Å
408	A	93.1	Very high	89.5	Confident	5 Å²	5	67.3 Å²	67.3	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-40.5	176.8	0	0	0	0	0	112.7	V392 I395 L397 E404 A405 K410 S411	V392-A408 HydrophobicContact CB-CB 4.16Å; V392-A408 HydrophobicContact CG1-CB 4.25Å; V392-A408 WeakPolarHBondContact CG1-O 3.34Å; I395-A408 HydrophobicContact CD1-CB 4.02Å; L397-A408 HydrophobicContact CD2-CB 4.12Å; E404-A408 WeakPolarHBondContact O-CB 3.19Å; E404-A408 PolarHBondContact O-N 3.15Å; A405-A408 PolarHBondContact O-N 3.17Å; A408-K410 VanDerWaalsContact C-N 3.34Å; A408-S411 PolarHBondContact O-OG 2.63Å
409	L	92	Very high	89.7	Confident	17 Å²	17	62.3 Å²	62.3	9%	0.089	34%	0.335	C	S	.	.	H	α-helix	trans	-67.7	-33.8	174.8	-71.3	168.1	0	0	0	112.2	K348 L353 F355 I357 L389 V392 A405 A406 A407 M418	K348-L409 VanDerWaalsContact CE-O 3.31Å; K348-L409 WeakPolarHBondContact CE-O 3.38Å; K348-L409 PolarHBondContact NZ-O 3.47Å; L353-L409 HydrophobicContact CD1-CD2 4.03Å; F355-L409 HydrophobicContact CE2-CD1 4.03Å; F355-L409 HydrophobicContact CZ-CD1 4.18Å; F355-L409 HydrophobicContact CZ-CD2 3.91Å; I357-L409 HydrophobicContact CD1-CD1 4.1Å; I357-L409 HydrophobicContact CG2-CD1 4.07Å; L389-L409 HydrophobicContact CD1-CD1 4.1Å; V392-L409 HydrophobicContact CG1-CD2 4.01Å; V392-L409 HydrophobicContact CG1-CG 4.48Å; V392-L409 HydrophobicContact CG2-CD2 3.72Å; V392-L409 HydrophobicContact CG2-CG 4.2Å; A405-L409 WeakPolarHBondContact O-CG 3.49Å; A405-L409 PolarHBondContact O-N 2.99Å; A406-L409 PolarHBondContact O-N 2.69Å; A407-L409 PolarHBondContact O-N 2.78Å; L409-M418 HydrophobicContact CD2-SD 3.7Å
410	K	88.3	Confident	89.9	Confident	161 Å²	161	55 Å²	55	70%	0.7	30%	0.295	S	S	*	.	H	α-helix	trans	-78.7	-38.2	178.1	-73.9	173.1	-176.3	175.7	0	113.1	K348 A406 A407 A408 G412	K348-K410 PolarHBondContact NZ-O 3.45Å; A406-K410 WeakPolarHBondContact O-CB 3.43Å; A406-K410 VanDerWaalsContact O-CG 3.23Å; A406-K410 WeakPolarHBondContact O-CG 3.41Å; A406-K410 PolarHBondContact O-N 2.89Å; A407-K410 PolarHBondContact O-N 3.16Å; A408-K410 VanDerWaalsContact C-N 3.34Å; K410-G412 VanDerWaalsContact C-N 3.35Å; K410-G412 PolarHBondContact O-N 3.38Å
411	S	79.8	Confident	90	Very high	88 Å²	88	54.6 Å²	54.6	62%	0.615	29%	0.293	S	S	*	.	H	α-helix	trans	-77.5	-11.7	-170.5	65.4	0	0	0	0	115.2	A407 A408	A407-S411 WeakPolarHBondContact O-CB 3.49Å; A407-S411 PolarHBondContact O-N 2.82Å; A407-S411 PolarHBondContact O-OG 2.91Å; A408-S411 PolarHBondContact O-OG 2.63Å
412	G	69.2	Low	89.9	Confident	13 Å²	13	55.4 Å²	55.4	13%	0.134	29%	0.29	C	S	.	.	S	Bend	trans	-75.6	151	171.2	0	0	0	0	0	113	K348 N393 K410 I416	K348-G412 PolarHBondContact NZ-O 2.89Å; N393-G412 WeakPolarHBondContact ND2-CA 3.23Å; K410-G412 VanDerWaalsContact C-N 3.35Å; K410-G412 PolarHBondContact O-N 3.38Å; G412-I416 VanDerWaalsContact CA-CD1 3.44Å
413	G	78	Confident	90	Very high	55 Å²	55	56.7 Å²	56.7	57%	0.567	29%	0.292	S	S	*	.			trans	-64.7	-155.1	175.1	0	0	0	0	0	113.4	K415	G413-K415 PolarHBondContact O-N 3.14Å; G413-K415 VanDerWaalsContact O-N 3.12Å
414	Q	87.2	Confident	89.4	Confident	134 Å²	134	52 Å²	52	63%	0.626	27%	0.273	S	S	*	.	S	Bend	trans	-59.9	-28.6	-176.7	-167.7	62.4	6.7	0	0	113.4	N347 K348	N347-Q414 CarbonylContact C-O 3.16Å; N347-Q414 VanDerWaalsContact CA-O 3.24Å; N347-Q414 WeakPolarHBondContact CA-O 3.34Å; K348-Q414 PolarHBondContact N-O 3.19Å; K348-Q414 PolarHBondContact O-NE2 3.27Å
415	K	90.8	Very high	88.9	Confident	99 Å²	99	51.1 Å²	51.1	43%	0.43	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128	-179.4	-171.4	167.3	-178.3	-175.2	0	110.2	S345 L346 N347 G413 Y417	S345-K415 WeakPolarHBondContact OG-CE 3.41Å; L346-K415 WeakPolarHBondContact O-CA 3.14Å; N347-K415 WeakPolarHBondContact OD1-CB 3.22Å; N347-K415 VanDerWaalsContact OD1-CG 3.26Å; N347-K415 WeakPolarHBondContact OD1-CG 3.18Å; G413-K415 PolarHBondContact O-N 3.14Å; G413-K415 VanDerWaalsContact O-N 3.12Å; K415-Y417 HydrophobicContact CD-CE2 4.48Å; K415-Y417 WeakPolarHBondContact CD-OH 3.34Å; K415-Y417 WeakPolarHBondContact CE-OH 3.12Å; K415-Y417 HydrophobicContact CG-CE2 4.23Å; K415-Y417 PolarHBondContact NZ-OH 2.96Å
416	I	93.4	Very high	88.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.9	180	-56.4	-62.2	0	0	0	108.8	S345 L346 K348 L353 V392 N393 G412 M418	S345-I416 VanDerWaalsContact CA-O 3.3Å; S345-I416 WeakPolarHBondContact CA-O 3.43Å; L346-I416 PolarHBondContact N-O 3.18Å; L346-I416 PolarHBondContact O-N 2.79Å; K348-I416 HydrophobicContact CD-CG1 4.45Å; K348-I416 HydrophobicContact CG-CG1 4.27Å; L353-I416 HydrophobicContact CD1-CG1 4.26Å; L353-I416 HydrophobicContact CD2-CB 4.43Å; L353-I416 HydrophobicContact CD2-CG1 4.15Å; V392-I416 HydrophobicContact CG1-CG2 3.86Å; N393-I416 WeakPolarHBondContact ND2-CD1 3.39Å; G412-I416 VanDerWaalsContact CA-CD1 3.44Å; I416-M418 HydrophobicContact CG2-CG 3.76Å; I416-M418 HydrophobicContact CG2-SD 4.18Å
417	Y	94	Very high	88.3	Confident	124 Å²	124	52.4 Å²	52.4	49%	0.486	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.6	172.8	-61.3	-83.9	0	0	0	108.9	I344 S345 V392 N393 K415	I344-Y417 CarbonylContact O-C 3.58Å; I344-Y417 WeakPolarHBondContact O-CA 3.32Å; S345-Y417 WeakPolarHBondContact OG-CE1 3.38Å; V392-Y417 CarbonylContact C-O 3.41Å; V392-Y417 WeakPolarHBondContact CA-O 3.37Å; N393-Y417 PolarHBondContact N-O 3.12Å; N393-Y417 PolarHBondContact OD1-N 3.01Å; K415-Y417 HydrophobicContact CD-CE2 4.48Å; K415-Y417 WeakPolarHBondContact CD-OH 3.34Å; K415-Y417 WeakPolarHBondContact CE-OH 3.12Å; K415-Y417 HydrophobicContact CG-CE2 4.23Å; K415-Y417 PolarHBondContact NZ-OH 2.96Å
418	M	94.7	Very high	87.6	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148	-177.6	-55.7	-175.3	-85	0	0	110.4	R343 I344 L346 F355 L383 L389 E391 V392 L409 I416	R343-M418 CarbonylContact C-O 3.22Å; R343-M418 WeakPolarHBondContact CA-O 3.02Å; I344-M418 HydrophobicContact CB-CB 4.44Å; I344-M418 HydrophobicContact CG2-CE 4.2Å; I344-M418 PolarHBondContact N-O 2.73Å; I344-M418 PolarHBondContact O-N 2.96Å; L346-M418 HydrophobicContact CB-CE 4.4Å; L346-M418 HydrophobicContact CD1-CE 3.59Å; L346-M418 HydrophobicContact CG-CE 3.89Å; F355-M418 HydrophobicContact CE1-CE 4.21Å; F355-M418 HydrophobicContact CE1-SD 4.42Å; F355-M418 HydrophobicContact CZ-CE 4.38Å; F355-M418 HydrophobicContact CZ-SD 4.01Å; L383-M418 HydrophobicContact CD1-CE 3.87Å; L389-M418 HydrophobicContact CD2-SD 4.37Å; E391-M418 CarbonylContact O-C 3.51Å; E391-M418 VanDerWaalsContact O-CA 3.23Å; E391-M418 WeakPolarHBondContact O-CA 3.38Å; V392-M418 HydrophobicContact CG2-CG 4.05Å; V392-M418 HydrophobicContact CG2-SD 4.48Å; L409-M418 HydrophobicContact CD2-SD 3.7Å; I416-M418 HydrophobicContact CG2-CG 3.76Å; I416-M418 HydrophobicContact CG2-SD 4.18Å
419	L	95.7	Very high	87.1	Confident	24 Å²	24	61.5 Å²	61.5	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.2	163.8	-170.7	70.2	0	0	0	107.3	P341 R342 R343 L390 E391	P341-L419 HydrophobicContact CB-CD1 3.8Å; P341-L419 HydrophobicContact CB-CD2 4.25Å; P341-L419 HydrophobicContact CB-CG 3.97Å; R342-L419 WeakPolarHBondContact O-CA 3.19Å; R343-L419 HydrophobicContact CG-CD1 3.73Å; L390-L419 WeakPolarHBondContact CA-O 3.5Å; L390-L419 HydrophobicContact CB-CB 4.34Å; L390-L419 HydrophobicContact CB-CD2 4.15Å; L390-L419 HydrophobicContact CB-CG 4.28Å; L390-L419 WeakPolarHBondContact CB-O 3.25Å; L390-L419 HydrophobicContact CD1-CD2 4.3Å; L390-L419 HydrophobicContact CD1-CG 4.38Å; L390-L419 PolarHBondContact N-O 3.42Å; E391-L419 HydrophobicContact CB-CB 3.63Å; E391-L419 HydrophobicContact CB-CD2 4.46Å; E391-L419 PolarHBondContact N-O 2.92Å; E391-L419 PolarHBondContact O-N 3.08Å
420	A	95	Very high	86.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143	-179.6	0	0	0	0	0	110.8	R342 I344 L383 D387 Q388 L389	R342-A420 PolarHBondContact N-O 3.17Å; R342-A420 PolarHBondContact O-N 3.38Å; I344-A420 HydrophobicContact CD1-CB 3.83Å; L383-A420 HydrophobicContact CD2-CB 4.07Å; D387-A420 HydrophobicContact CB-CB 4.36Å; Q388-A420 CarbonylContact O-C 3.5Å; Q388-A420 VanDerWaalsContact O-CA 3.28Å; Q388-A420 WeakPolarHBondContact O-CA 3.41Å; L389-A420 HydrophobicContact CD2-CB 4.01Å
421	A	93.4	Very high	86.3	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.2	175.2	0	0	0	0	0	110	P341 Q388 L390 R423	P341-A421 HydrophobicContact CG-CB 4.34Å; Q388-A421 PolarHBondContact N-O 2.79Å; Q388-A421 PolarHBondContact O-N 3.35Å; L390-A421 HydrophobicContact CD1-CB 3.86Å; L390-A421 HydrophobicContact CG-CB 4.46Å; A421-R423 HydrophobicContact CB-CG 4.36Å; A421-R423 PolarHBondContact O-N 2.77Å
422	Y	91.9	Very high	86.1	Confident	69 Å²	69	56.3 Å²	56.3	27%	0.271	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	111.2	178.5	-174.4	-122.1	0	0	0	110.3	I338 R384 K385 D387 P424	I338-Y422 HydrophobicContact CG2-CD1 3.88Å; I338-Y422 HydrophobicContact CG2-CG 4.48Å; R384-Y422 HydrophobicContact CB-CD2 4.29Å; R384-Y422 HydrophobicContact CB-CE2 4.24Å; K385-Y422 WeakPolarHBondContact O-CE2 3.26Å; D387-Y422 WeakPolarHBondContact OD1-CA 3.32Å; D387-Y422 WeakPolarHBondContact OD1-CB 3.18Å; D387-Y422 WeakPolarHBondContact OD1-CD2 3.38Å; D387-Y422 PolarHBondContact OD1-N 3.13Å; Y422-P424 HydrophobicContact CD1-CG 4.1Å; Y422-P424 HydrophobicContact CE1-CB 4.2Å; Y422-P424 HydrophobicContact CE1-CG 3.58Å; Y422-P424 HydrophobicContact CE2-CB 4.25Å; Y422-P424 HydrophobicContact CE2-CG 4.38Å
423	R	88.6	Confident	86.7	Confident	91 Å²	91	59 Å²	59	34%	0.343	29%	0.291	S	S	.	.			trans	-130.4	66.2	-176.3	-60.9	-146.4	-172	152	8.6	111.4	G386 Q388 A421 E425 D426 Y427	G386-R423 CarbonylContact O-C 3.19Å; G386-R423 PolarHBondContact O-N 3.39Å; Q388-R423 HydrophobicContact CB-CG 4.44Å; A421-R423 HydrophobicContact CB-CG 4.36Å; A421-R423 PolarHBondContact O-N 2.77Å; R423-E425 VanDerWaalsContact C-N 3.29Å; R423-E425 PolarHBondContact O-N 3.45Å; R423-D426 HydrophobicContact CB-CB 4.1Å; R423-D426 WeakPolarHBondContact CD-OD2 3.37Å; R423-D426 IonicContact NH1-OD2 3.73Å; R423-D426 PolarHBondContact O-N 3.24Å; R423-Y427 WeakPolarHBondContact O-CB 3.47Å; R423-Y427 PolarHBondContact O-N 3.28Å
424	P	80.1	Confident	86.6	Confident	26 Å²	26	59.9 Å²	59.9	17%	0.169	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-35.2	-176.3	27.3	-35.1	0	0	0	112.3	Y422 C428	Y422-P424 HydrophobicContact CD1-CG 4.1Å; Y422-P424 HydrophobicContact CE1-CB 4.2Å; Y422-P424 HydrophobicContact CE1-CG 3.58Å; Y422-P424 HydrophobicContact CE2-CB 4.25Å; Y422-P424 HydrophobicContact CE2-CG 4.38Å; P424-C428 WeakPolarHBondContact O-CB 2.92Å; P424-C428 PolarHBondContact O-N 3.45Å; P424-C428 PolarHBondContact O-SG 3.26Å
425	E	82.8	Confident	85.7	Confident	91 Å²	91	57 Å²	57	43%	0.425	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-37	179.4	-61.1	84.4	-171.3	0	0	112.8	R339 R423 R429	R339-E425 IonicContact CZ-OE1 3.55Å; R339-E425 IonicContact CZ-OE2 2.78Å; R339-E425 IonicContact NH1-OE1 3.58Å; R339-E425 PolarHBondContact NH1-OE1 3.43Å; R339-E425 IonicContact NH1-OE2 3.66Å; R339-E425 PolarHBondContact NH1-OE2 2.9Å; R339-E425 IonicContact NH2-OE1 2.82Å; R339-E425 PolarHBondContact NH2-OE1 3.43Å; R339-E425 IonicContact NH2-OE2 3.61Å; R339-E425 PolarHBondContact NH2-OE2 3.43Å; R423-E425 VanDerWaalsContact C-N 3.29Å; R423-E425 PolarHBondContact O-N 3.45Å; E425-R429 WeakPolarHBondContact O-CG 3.17Å; E425-R429 PolarHBondContact O-N 3.15Å
426	D	86.7	Confident	84.9	Confident	37 Å²	37	58.7 Å²	58.7	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-70.8	-44.3	177.3	-64.3	-21.3	0	0	0	110.4	Y367 R423 C428 R429 F430	Y367-D426 HydrophobicContact CE1-CB 4.13Å; Y367-D426 WeakPolarHBondContact OH-CB 3.33Å; R423-D426 HydrophobicContact CB-CB 4.1Å; R423-D426 WeakPolarHBondContact CD-OD2 3.37Å; R423-D426 IonicContact NH1-OD2 3.73Å; R423-D426 PolarHBondContact O-N 3.24Å; D426-C428 PolarHBondContact O-N 3.43Å; D426-R429 PolarHBondContact O-N 3.01Å; D426-R429 IonicContact OD1-CZ 2.77Å; D426-R429 IonicContact OD1-NE 2.77Å; D426-R429 IonicContact OD1-NH2 3.43Å; D426-R429 PolarHBondContact OD1-NH2 2.86Å; D426-F430 PolarHBondContact O-N 3.42Å
427	Y	87.6	Confident	84	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-43.1	176	179.7	-105.3	0	0	0	112.6	V358 Y367 S369 K385 R423 R429 F430 E431	V358-Y427 HydrophobicContact CG2-CE2 3.86Å; Y367-Y427 VanDerWaalsContact CB-CD2 3.43Å; Y367-Y427 HydrophobicContact CD1-CD2 4.08Å; Y367-Y427 HydrophobicContact CD2-CD2 4.29Å; Y367-Y427 AromaticContact CG-CD2 3.69Å; Y367-Y427 HydrophobicContact CG-CD2 3.69Å; S369-Y427 WeakPolarHBondContact CA-OH 3.15Å; K385-Y427 HydrophobicContact CD-CE1 4.47Å; K385-Y427 VanDerWaalsContact CE-CE1 3.47Å; K385-Y427 WeakPolarHBondContact CE-OH 3.42Å; K385-Y427 HydrophobicContact CG-CE1 4.12Å; R423-Y427 WeakPolarHBondContact O-CB 3.47Å; R423-Y427 PolarHBondContact O-N 3.28Å; Y427-R429 VanDerWaalsContact C-N 3.31Å; Y427-R429 PolarHBondContact O-N 2.83Å; Y427-F430 WeakPolarHBondContact O-CB 3.36Å; Y427-F430 PolarHBondContact O-N 3.35Å; Y427-E431 HydrophobicContact CD1-CG 4.42Å; Y427-E431 HydrophobicContact CE1-CG 3.81Å; Y427-E431 VanDerWaalsContact CE1-OE1 3.26Å; Y427-E431 WeakPolarHBondContact CE1-OE1 3.32Å; Y427-E431 WeakPolarHBondContact CE1-OE2 3.42Å; Y427-E431 HydrophobicContact CE2-CG 4.21Å; Y427-E431 PolarHBondContact O-N 2.99Å; Y427-E431 VanDerWaalsContact OH-CD 3.27Å; Y427-E431 PolarHBondContact OH-OE1 3.37Å
428	C	76.2	Confident	82.6	Confident	73 Å²	73	62 Å²	62	49%	0.493	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-36.2	175.5	-72.2	0	0	0	0	112.7	P424 D426 A432	P424-C428 WeakPolarHBondContact O-CB 2.92Å; P424-C428 PolarHBondContact O-N 3.45Å; P424-C428 PolarHBondContact O-SG 3.26Å; D426-C428 PolarHBondContact O-N 3.43Å; C428-A432 WeakPolarHBondContact O-CB 3.33Å; C428-A432 PolarHBondContact O-N 3.42Å; C428-A432 VanDerWaalsContact O-N 3.09Å
429	R	83.3	Confident	81.1	Confident	174 Å²	174	65 Å²	65	66%	0.657	31%	0.311	S	S	*	.	H	α-helix	trans	-66.4	-39.9	174	-75	-172	-71.1	-175.1	1	111.8	E425 D426 Y427 A432 K433	E425-R429 WeakPolarHBondContact O-CG 3.17Å; E425-R429 PolarHBondContact O-N 3.15Å; D426-R429 PolarHBondContact O-N 3.01Å; D426-R429 IonicContact OD1-CZ 2.77Å; D426-R429 IonicContact OD1-NE 2.77Å; D426-R429 IonicContact OD1-NH2 3.43Å; D426-R429 PolarHBondContact OD1-NH2 2.86Å; Y427-R429 VanDerWaalsContact C-N 3.31Å; Y427-R429 PolarHBondContact O-N 2.83Å; R429-A432 PolarHBondContact O-N 3Å; R429-K433 PolarHBondContact O-N 3.32Å
430	F	84	Confident	79.8	Confident	18 Å²	18	67.1 Å²	67.1	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-49.5	174.3	171	-96.8	0	0	0	111.8	V358 E364 Y367 D426 Y427 A432 K433 I434	V358-F430 HydrophobicContact CB-CE1 3.94Å; V358-F430 HydrophobicContact CB-CZ 4.31Å; V358-F430 HydrophobicContact CG2-CD1 4.25Å; V358-F430 HydrophobicContact CG2-CE1 3.59Å; V358-F430 HydrophobicContact CG2-CZ 4.37Å; E364-F430 HydrophobicContact CB-CD2 3.88Å; E364-F430 HydrophobicContact CB-CE2 3.98Å; E364-F430 HydrophobicContact CG-CD2 3.77Å; E364-F430 HydrophobicContact CG-CE2 4.02Å; Y367-F430 HydrophobicContact CD2-CD1 4.5Å; Y367-F430 HydrophobicContact CD2-CG 4.43Å; Y367-F430 HydrophobicContact CE2-CB 4.31Å; Y367-F430 HydrophobicContact CE2-CG 4.39Å; D426-F430 PolarHBondContact O-N 3.42Å; Y427-F430 WeakPolarHBondContact O-CB 3.36Å; Y427-F430 PolarHBondContact O-N 3.35Å; F430-A432 VanDerWaalsContact C-N 3.3Å; F430-A432 PolarHBondContact O-N 3Å; F430-K433 PolarHBondContact O-N 2.66Å; F430-K433 VanDerWaalsContact O-N 3.16Å; F430-I434 HydrophobicContact CD2-CG1 4.39Å; F430-I434 HydrophobicContact CE1-CG1 4Å; F430-I434 HydrophobicContact CE2-CD1 4.02Å; F430-I434 HydrophobicContact CE2-CG1 3.88Å; F430-I434 HydrophobicContact CZ-CD1 4Å; F430-I434 HydrophobicContact CZ-CG1 3.66Å; F430-I434 WeakPolarHBondContact O-CG1 3.31Å; F430-I434 PolarHBondContact O-N 3.05Å
431	E	80.8	Confident	78	Confident	78 Å²	78	74 Å²	74	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-57.6	-42.8	177	-77.3	-173.3	139.2	0	0	111.6	K385 Y427 K433 I434 E435	K385-E431 IonicContact NZ-OE1 3.47Å; K385-E431 PolarHBondContact NZ-OE1 3.01Å; Y427-E431 HydrophobicContact CD1-CG 4.42Å; Y427-E431 HydrophobicContact CE1-CG 3.81Å; Y427-E431 VanDerWaalsContact CE1-OE1 3.26Å; Y427-E431 WeakPolarHBondContact CE1-OE1 3.32Å; Y427-E431 WeakPolarHBondContact CE1-OE2 3.42Å; Y427-E431 HydrophobicContact CE2-CG 4.21Å; Y427-E431 PolarHBondContact O-N 2.99Å; Y427-E431 VanDerWaalsContact OH-CD 3.27Å; Y427-E431 PolarHBondContact OH-OE1 3.37Å; E431-K433 PolarHBondContact O-N 3.28Å; E431-I434 PolarHBondContact O-N 2.98Å; E431-E435 WeakPolarHBondContact O-CB 3.34Å; E431-E435 PolarHBondContact O-N 3.12Å
432	A	74.4	Confident	75.9	Confident	62 Å²	62	77 Å²	77	51%	0.512	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-39.5	177.3	0	0	0	0	0	113.1	C428 R429 F430 E435 E436	C428-A432 WeakPolarHBondContact O-CB 3.33Å; C428-A432 PolarHBondContact O-N 3.42Å; C428-A432 VanDerWaalsContact O-N 3.09Å; R429-A432 PolarHBondContact O-N 3Å; F430-A432 VanDerWaalsContact C-N 3.3Å; F430-A432 PolarHBondContact O-N 3Å; A432-E435 PolarHBondContact O-N 2.95Å; A432-E436 PolarHBondContact O-N 3.21Å
433	K	82.1	Confident	73.9	Confident	69 Å²	69	80.1 Å²	80.1	30%	0.3	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-43.5	177.8	-174.7	-170.8	-176.9	-167.8	0	111.9	E364 R429 F430 E431 E435 E436 L437	E364-K433 WeakPolarHBondContact OE1-CD 3.34Å; E364-K433 IonicContact OE1-NZ 3.36Å; E364-K433 PolarHBondContact OE1-NZ 3.26Å; R429-K433 PolarHBondContact O-N 3.32Å; F430-K433 PolarHBondContact O-N 2.66Å; F430-K433 VanDerWaalsContact O-N 3.16Å; E431-K433 PolarHBondContact O-N 3.28Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E436 PolarHBondContact O-N 2.82Å; K433-L437 HydrophobicContact CG-CD1 4.34Å; K433-L437 WeakPolarHBondContact O-CG 3.21Å; K433-L437 PolarHBondContact O-N 2.9Å
434	I	75.9	Confident	72.1	Confident	73 Å²	73	83.5 Å²	83.5	37%	0.374	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-41.2	176.6	-65.7	-62.8	0	0	0	110.5	F430 E431 L437 R438	F430-I434 HydrophobicContact CD2-CG1 4.39Å; F430-I434 HydrophobicContact CE1-CG1 4Å; F430-I434 HydrophobicContact CE2-CD1 4.02Å; F430-I434 HydrophobicContact CE2-CG1 3.88Å; F430-I434 HydrophobicContact CZ-CD1 4Å; F430-I434 HydrophobicContact CZ-CG1 3.66Å; F430-I434 WeakPolarHBondContact O-CG1 3.31Å; F430-I434 PolarHBondContact O-N 3.05Å; E431-I434 PolarHBondContact O-N 2.98Å; I434-L437 PolarHBondContact O-N 3.45Å; I434-R438 VanDerWaalsContact O-CB 3.3Å; I434-R438 WeakPolarHBondContact O-CB 3.4Å; I434-R438 PolarHBondContact O-N 2.96Å
435	E	68.9	Low	70.3	Confident	73 Å²	73	85.9 Å²	85.9	34%	0.341	43%	0.433	S	S	.	.	H	α-helix	trans	-64.9	-40.4	176.6	-169.8	58.6	-151.3	0	0	112	E431 A432 K433 R438 N439	E431-E435 WeakPolarHBondContact O-CB 3.34Å; E431-E435 PolarHBondContact O-N 3.12Å; A432-E435 PolarHBondContact O-N 2.95Å; K433-E435 VanDerWaalsContact C-N 3.31Å; E435-R438 PolarHBondContact O-N 3.29Å; E435-N439 WeakPolarHBondContact O-CB 3.03Å; E435-N439 VanDerWaalsContact O-CG 3.32Å; E435-N439 PolarHBondContact O-N 3.5Å; E435-N439 PolarHBondContact O-ND2 2.86Å; E435-N439 PolarHBondContact OE1-ND2 2.8Å
436	E	72.9	Confident	68	Low	136 Å²	136	86.4 Å²	86.4	64%	0.636	45%	0.447	S	S	*	.	H	α-helix	trans	-63.2	-46.9	174.6	-172.6	173.9	-163.6	0	0	111.9	A432 K433 R438 N439 V440	A432-E436 PolarHBondContact O-N 3.21Å; K433-E436 PolarHBondContact O-N 2.82Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 2.85Å; E436-N439 PolarHBondContact O-N 3.17Å; E436-N439 VanDerWaalsContact O-N 3.16Å; E436-V440 WeakPolarHBondContact O-CG2 3.42Å; E436-V440 PolarHBondContact O-N 2.52Å
437	L	74.8	Confident	65.4	Low	85 Å²	85	91.1 Å²	91.1	45%	0.445	48%	0.479	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.6	-74	169.8	0	0	0	112	K433 I434 N439 V440 M441	K433-L437 HydrophobicContact CG-CD1 4.34Å; K433-L437 WeakPolarHBondContact O-CG 3.21Å; K433-L437 PolarHBondContact O-N 2.9Å; I434-L437 PolarHBondContact O-N 3.45Å; L437-N439 VanDerWaalsContact C-N 3.32Å; L437-N439 PolarHBondContact O-N 2.85Å; L437-V440 PolarHBondContact O-N 2.77Å; L437-M441 WeakPolarHBondContact O-CG 3.35Å; L437-M441 PolarHBondContact O-N 3.34Å
438	R	64.8	Low	62.9	Low	109 Å²	109	98.2 Å²	98.2	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-44.1	174.6	-167.8	-178.5	-166.5	151	13	110.8	I434 E435 E436 M441 I442 C488	I434-R438 VanDerWaalsContact O-CB 3.3Å; I434-R438 WeakPolarHBondContact O-CB 3.4Å; I434-R438 PolarHBondContact O-N 2.96Å; E435-R438 PolarHBondContact O-N 3.29Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 2.85Å; R438-M441 PolarHBondContact O-N 3.11Å; R438-I442 HydrophobicContact CG-CD1 4.11Å; R438-I442 WeakPolarHBondContact O-CD1 3.48Å; R438-I442 WeakPolarHBondContact O-CG1 3.35Å; R438-I442 PolarHBondContact O-N 2.85Å; R438-I442 VanDerWaalsContact O-N 3.13Å; R438-C488 PolarHBondContact NH2-SG 3.46Å
439	N	63.8	Low	61	Low	66 Å²	66	100.1 Å²	100.1	35%	0.353	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-40.7	177	-76	-47.8	0	0	0	112.5	E435 E436 L437 I442 D443	E435-N439 WeakPolarHBondContact O-CB 3.03Å; E435-N439 VanDerWaalsContact O-CG 3.32Å; E435-N439 PolarHBondContact O-N 3.5Å; E435-N439 PolarHBondContact O-ND2 2.86Å; E435-N439 PolarHBondContact OE1-ND2 2.8Å; E436-N439 PolarHBondContact O-N 3.17Å; E436-N439 VanDerWaalsContact O-N 3.16Å; L437-N439 VanDerWaalsContact C-N 3.32Å; L437-N439 PolarHBondContact O-N 2.85Å; N439-I442 PolarHBondContact O-N 2.88Å; N439-D443 PolarHBondContact O-N 3.5Å
440	V	67	Low	59.4	Low	69 Å²	69	99 Å²	99	42%	0.418	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-39.7	176.2	174.4	0	0	0	0	112.1	E436 L437 I442 D443 Q444	E436-V440 WeakPolarHBondContact O-CG2 3.42Å; E436-V440 PolarHBondContact O-N 2.52Å; L437-V440 PolarHBondContact O-N 2.77Å; V440-I442 VanDerWaalsContact C-N 3.3Å; V440-I442 PolarHBondContact O-N 3.4Å; V440-D443 PolarHBondContact O-N 3.44Å; V440-Q444 PolarHBondContact O-N 3.36Å
441	M	57.4	Low	58.3	Low	146 Å²	146	107.2 Å²	107.2	72%	0.719	55%	0.55	S	S	*	*	H	α-helix	trans	-66.2	-32.3	177.2	-77.1	-171.7	165.5	0	0	112.7	L437 R438	L437-M441 WeakPolarHBondContact O-CG 3.35Å; L437-M441 PolarHBondContact O-N 3.34Å; R438-M441 PolarHBondContact O-N 3.11Å
442	I	50.1	Low	58.3	Low	63 Å²	63	109.6 Å²	109.6	32%	0.323	56%	0.562	S	S	.	*	H	α-helix	trans	-74.6	-29.3	175.9	-58.3	159	0	0	0	111.3	R438 N439 V440 S445	R438-I442 HydrophobicContact CG-CD1 4.11Å; R438-I442 WeakPolarHBondContact O-CD1 3.48Å; R438-I442 WeakPolarHBondContact O-CG1 3.35Å; R438-I442 PolarHBondContact O-N 2.85Å; R438-I442 VanDerWaalsContact O-N 3.13Å; N439-I442 PolarHBondContact O-N 2.88Å; V440-I442 VanDerWaalsContact C-N 3.3Å; V440-I442 PolarHBondContact O-N 3.4Å; I442-S445 PolarHBondContact O-OG 3.27Å
443	D	49.2	Very low	58.9	Low	135 Å²	135	109 Å²	109	72%	0.722	55%	0.549	S	S	*	.	H	α-helix	trans	-77.6	-20.3	178.2	-101.1	8.8	0	0	0	114.2	N439 V440	N439-D443 PolarHBondContact O-N 3.5Å; V440-D443 PolarHBondContact O-N 3.44Å
444	Q	50.7	Low	59.3	Low	162 Å²	162	106.6 Å²	106.6	76%	0.757	54%	0.539	S	S	*	.	S	Bend	trans	-88.8	-9.7	-179.1	-70.2	-175.2	9.9	0	0	114.4	V440	V440-Q444 PolarHBondContact O-N 3.36Å
445	S	41.7	Very low	60	Low	76 Å²	76	103.1 Å²	103.1	53%	0.531	52%	0.521	S	S	.	.	S	Bend	trans	-96.3	95.9	170.5	55.4	0	0	0	0	110.1	I442	I442-S445 PolarHBondContact O-OG 3.27Å
446	S	34.5	Very low	61.1	Low	102 Å²	102	100.5 Å²	100.5	71%	0.713	51%	0.508	S	S	*	.			trans	34	128.9	161.7	-54.4	0	0	0	0	118.5	Q448	S446-Q448 VanDerWaalsContact C-N 3.28Å; S446-Q448 PolarHBondContact O-N 2.77Å
447	P	33.4	Very low	61.9	Low	135 Å²	135	94 Å²	94	88%	0.877	48%	0.478	S	S	*	.			trans	-72.3	81.1	-178.5	33.4	-34.3	0	0	0	110.8
448	Q	34	Very low	62.5	Low	159 Å²	159	90.4 Å²	90.4	74%	0.743	46%	0.459	S	S	*	.			trans	-82.5	129.3	145.2	-66.6	-150.2	5.6	0	0	106	S446 R450	S446-Q448 VanDerWaalsContact C-N 3.28Å; S446-Q448 PolarHBondContact O-N 2.77Å; Q448-R450 PolarHBondContact O-N 2.79Å
449	P	36.9	Very low	63.5	Low	113 Å²	113	87.4 Å²	87.4	73%	0.734	45%	0.449	S	S	*	.			trans	-54.3	119.9	171.7	24	-30.8	0	0	0	106.6	R451	P449-R451 PolarHBondContact O-N 3.28Å
450	R	49.3	Very low	64.4	Low	150 Å²	150	86.9 Å²	86.9	57%	0.566	45%	0.446	S	S	*	.			trans	-53	111.3	173.4	-69.7	-170.2	-165	178.6	9.7	105.6	Q448 E452	Q448-R450 PolarHBondContact O-N 2.79Å; R450-E452 PolarHBondContact O-N 2.76Å
451	R	61.4	Low	65.1	Low	190 Å²	190	84.6 Å²	84.6	72%	0.717	43%	0.43	S	S	*	.			trans	-61.9	122.3	178.8	-74.1	-175.5	177.9	-177.1	-0.7	107	P449 L453 E778	P449-R451 PolarHBondContact O-N 3.28Å; R451-L453 PolarHBondContact O-N 2.68Å; R451-E778 IonicContact CZ-OE1 2.71Å; R451-E778 IonicContact NH1-OE1 2.91Å; R451-E778 PolarHBondContact NH1-OE1 3.41Å
452	E	80.4	Confident	66.2	Low	129 Å²	129	80.7 Å²	80.7	60%	0.603	41%	0.412	S	S	*	.			trans	-64.4	126.4	176.3	-65.2	-180	168.6	0	0	108.9	R450 F454	R450-E452 PolarHBondContact O-N 2.76Å; E452-F454 HydrophobicContact CB-CD2 4.09Å; E452-F454 HydrophobicContact CB-CE2 3.43Å; E452-F454 VanDerWaalsContact CB-CE2 3.43Å; E452-F454 HydrophobicContact CB-CZ 4.08Å; E452-F454 HydrophobicContact CG-CE2 4.39Å; E452-F454 VanDerWaalsContact OE2-CE2 3.22Å; E452-F454 WeakPolarHBondContact OE2-CE2 3.4Å; E452-F454 VanDerWaalsContact OE2-CZ 3.29Å; E452-F454 WeakPolarHBondContact OE2-CZ 3.36Å
453	L	87.9	Confident	67.5	Low	48 Å²	48	78.7 Å²	78.7	25%	0.251	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.8	178.1	176.8	60.4	0	0	0	109.3	R451 V455 V484 L780	R451-L453 PolarHBondContact O-N 2.68Å; L453-V455 HydrophobicContact CD1-CG1 4.32Å; L453-V455 HydrophobicContact CG-CG1 4.34Å; L453-V484 HydrophobicContact CB-CB 4.2Å; L453-V484 HydrophobicContact CD2-CB 3.9Å; L453-V484 HydrophobicContact CD2-CG1 4.09Å; L453-V484 HydrophobicContact CD2-CG2 4.28Å; L453-V484 HydrophobicContact CG-CB 4.02Å; L453-V484 HydrophobicContact CG-CG2 4.32Å; L453-V484 PolarHBondContact O-N 3.02Å; L453-L780 HydrophobicContact CD1-CD2 3.93Å; L453-L780 HydrophobicContact CD2-CD2 3.96Å; L453-L780 HydrophobicContact CG-CD2 4.41Å
454	F	90.5	Very high	68.7	Low	20 Å²	20	77.2 Å²	77.2	9%	0.088	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137	171.3	-63.9	-86.3	0	0	0	110.5	E452 I481 L482 H483 P574 V575 W773	E452-F454 HydrophobicContact CB-CD2 4.09Å; E452-F454 HydrophobicContact CB-CE2 3.43Å; E452-F454 VanDerWaalsContact CB-CE2 3.43Å; E452-F454 HydrophobicContact CB-CZ 4.08Å; E452-F454 HydrophobicContact CG-CE2 4.39Å; E452-F454 VanDerWaalsContact OE2-CE2 3.22Å; E452-F454 WeakPolarHBondContact OE2-CE2 3.4Å; E452-F454 VanDerWaalsContact OE2-CZ 3.29Å; E452-F454 WeakPolarHBondContact OE2-CZ 3.36Å; F454-I481 HydrophobicContact CB-CG2 4.4Å; F454-I481 HydrophobicContact CD1-CG2 4.21Å; F454-L482 WeakPolarHBondContact CA-O 3.38Å; F454-H483 HydrophobicContact CD1-CB 3.81Å; F454-H483 HydrophobicContact CE1-CB 3.57Å; F454-H483 AromaticContact CE1-CD2 3.99Å; F454-H483 AromaticContact CE1-CG 3.61Å; F454-H483 HydrophobicContact CZ-CB 4.46Å; F454-P574 WeakPolarHBondContact O-CA 3.13Å; F454-V575 HydrophobicContact CB-CG2 4Å; F454-V575 PolarHBondContact O-N 3.01Å; F454-W773 HydrophobicContact CB-CE3 4.36Å; F454-W773 HydrophobicContact CB-CH2 3.84Å; F454-W773 HydrophobicContact CB-CZ3 3.45Å; F454-W773 VanDerWaalsContact CB-CZ3 3.45Å; F454-W773 AromaticContact CD1-CH2 3.48Å; F454-W773 HydrophobicContact CD1-CH2 3.48Å; F454-W773 VanDerWaalsContact CD1-CH2 3.48Å; F454-W773 HydrophobicContact CD1-CZ2 4.35Å; F454-W773 HydrophobicContact CD1-CZ3 4.05Å; F454-W773 AromaticContact CD2-CH2 3.83Å; F454-W773 HydrophobicContact CD2-CH2 3.83Å; F454-W773 AromaticContact CD2-CZ3 3.9Å; F454-W773 HydrophobicContact CD2-CZ3 3.9Å; F454-W773 AromaticContact CE1-CH2 3.92Å; F454-W773 HydrophobicContact CE1-CH2 3.92Å; F454-W773 HydrophobicContact CE2-CH2 4.23Å; F454-W773 AromaticContact CG-CH2 3.43Å; F454-W773 HydrophobicContact CG-CH2 3.43Å; F454-W773 VanDerWaalsContact CG-CH2 3.43Å; F454-W773 AromaticContact CG-CZ3 3.54Å; F454-W773 HydrophobicContact CG-CZ3 3.54Å; F454-W773 HydrophobicContact CZ-CH2 4.28Å
455	V	90.9	Very high	69.8	Low	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.4	174.7	-57.3	0	0	0	0	110.8	L453 I481 L482 V484 Y572 L573 L780	L453-V455 HydrophobicContact CD1-CG1 4.32Å; L453-V455 HydrophobicContact CG-CG1 4.34Å; V455-I481 CarbonylContact O-C 2.99Å; V455-I481 WeakPolarHBondContact O-CA 3.44Å; V455-L482 HydrophobicContact CG2-CB 3.82Å; V455-L482 HydrophobicContact CG2-CD1 4.35Å; V455-L482 HydrophobicContact CG2-CG 4.44Å; V455-L482 PolarHBondContact N-O 3.28Å; V455-L482 PolarHBondContact O-N 3.01Å; V455-V484 HydrophobicContact CG1-CG2 4.2Å; V455-V484 HydrophobicContact CG2-CG2 3.94Å; V455-Y572 HydrophobicContact CG2-CD1 3.99Å; V455-Y572 HydrophobicContact CG2-CG 4.26Å; V455-L573 CarbonylContact C-O 3.46Å; V455-L573 VanDerWaalsContact CA-O 3.3Å; V455-L573 WeakPolarHBondContact CA-O 3.33Å; V455-L780 HydrophobicContact CG1-CD1 4.33Å; V455-L780 HydrophobicContact CG1-CD2 3.71Å
456	R	90.6	Very high	71.2	Confident	17 Å²	17	75.5 Å²	75.5	6%	0.064	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.8	165.6	-179.2	-179.6	-65.9	153.4	5.9	108.9	L458 D480 I481 Y572 L573 V575 W773	R456-L458 HydrophobicContact CG-CD2 4.26Å; R456-D480 WeakPolarHBondContact CA-O 3.23Å; R456-I481 HydrophobicContact CB-CD1 3.88Å; R456-I481 HydrophobicContact CG-CD1 4.11Å; R456-Y572 WeakPolarHBondContact O-CA 3.46Å; R456-L573 HydrophobicContact CB-CB 4.42Å; R456-L573 PolarHBondContact N-O 3.25Å; R456-L573 PolarHBondContact O-N 2.95Å; R456-V575 HydrophobicContact CB-CG1 3.96Å; R456-V575 HydrophobicContact CB-CG2 4.5Å; R456-W773 VanDerWaalsContact NH2-CB 3.27Å; R456-W773 PolarHBondContact NH2-O 3.29Å
457	A	89.9	Confident	72.7	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.3	170.6	0	0	0	0	0	110.2	F476 G479 D480 L482	A457-F476 HydrophobicContact CB-CD2 3.34Å; A457-F476 HydrophobicContact CB-CE2 3.54Å; A457-F476 HydrophobicContact CB-CG 4.28Å; A457-G479 PolarHBondContact O-N 2.69Å; A457-D480 PolarHBondContact N-O 3.47Å; A457-L482 HydrophobicContact CB-CD1 4.39Å
458	L	88.5	Confident	74.2	Confident	10 Å²	10	72.7 Å²	72.7	5%	0.052	37%	0.373	C	S	.	.	S	Bend	trans	-104.4	22.4	174.9	-55.8	178.9	0	0	0	112.1	R456 Y478 L570 S571 L573 D739	R456-L458 HydrophobicContact CG-CD2 4.26Å; L458-Y478 HydrophobicContact CB-CD2 4.48Å; L458-Y478 HydrophobicContact CB-CE2 4Å; L458-Y478 HydrophobicContact CD2-CE2 4.12Å; L458-Y478 WeakPolarHBondContact O-CD2 3.06Å; L458-Y478 WeakPolarHBondContact O-CE2 3.39Å; L458-L570 HydrophobicContact CB-CB 3.84Å; L458-L570 HydrophobicContact CD1-CD2 4.18Å; L458-L570 WeakPolarHBondContact O-CB 3.26Å; L458-S571 VanDerWaalsContact CB-O 3.29Å; L458-S571 WeakPolarHBondContact CB-O 3.35Å; L458-S571 PolarHBondContact N-O 2.88Å; L458-L573 HydrophobicContact CD1-CB 3.99Å; L458-L573 HydrophobicContact CD2-CB 4.44Å; L458-L573 HydrophobicContact CG-CB 4.23Å; L458-D739 HydrophobicContact CD1-CB 3.97Å
459	F	84.8	Confident	75.8	Confident	45 Å²	45	66.7 Å²	66.7	20%	0.197	35%	0.346	C	S	.	.	S	Bend	trans	-156	163.9	176.5	64.5	-79.9	0	0	0	110.4	F476 N477 Y478 V515 S571 Y572	F459-F476 HydrophobicContact CD2-CE2 4.11Å; F459-F476 HydrophobicContact CD2-CZ 4.5Å; F459-F476 HydrophobicContact CE1-CE2 4.24Å; F459-F476 HydrophobicContact CE1-CZ 4.4Å; F459-F476 AromaticContact CE2-CE2 3.75Å; F459-F476 HydrophobicContact CE2-CE2 3.75Å; F459-F476 AromaticContact CE2-CZ 3.71Å; F459-F476 HydrophobicContact CE2-CZ 3.71Å; F459-F476 AromaticContact CZ-CE2 3.82Å; F459-F476 HydrophobicContact CZ-CE2 3.82Å; F459-F476 AromaticContact CZ-CZ 3.65Å; F459-F476 HydrophobicContact CZ-CZ 3.65Å; F459-N477 CarbonylContact O-C 3.58Å; F459-Y478 PolarHBondContact O-N 3.4Å; F459-V515 HydrophobicContact CE1-CG2 4.35Å; F459-V515 HydrophobicContact CE2-CG2 4.43Å; F459-V515 HydrophobicContact CZ-CG2 3.8Å; F459-S571 WeakPolarHBondContact CD1-O 3.37Å; F459-Y572 HydrophobicContact CE1-CD1 4.16Å; F459-Y572 AromaticContact CE1-CE1 3.71Å; F459-Y572 HydrophobicContact CE1-CE1 3.71Å; F459-Y572 HydrophobicContact CE1-CE2 4.28Å; F459-Y572 AromaticContact CE1-CZ 3.78Å; F459-Y572 AromaticContact CZ-CE1 3.85Å; F459-Y572 HydrophobicContact CZ-CE1 3.85Å; F459-Y572 HydrophobicContact CZ-CE2 4.29Å; F459-Y572 AromaticContact CZ-CZ 3.61Å; F459-Y572 WeakPolarHBondContact CZ-OH 3.05Å
460	D	83.1	Confident	77.1	Confident	56 Å²	56	64.4 Å²	64.4	30%	0.299	33%	0.331	S	S	.	.			trans	-88	137.3	171.1	-61.5	-22.1	0	0	0	109.9	N477 Y478 R747	D460-N477 WeakPolarHBondContact OD1-CA 3.17Å; D460-Y478 PolarHBondContact OD1-N 3.19Å; D460-R747 IonicContact OD2-CZ 3.92Å; D460-R747 IonicContact OD2-NE 2.87Å; D460-R747 PolarHBondContact OD2-NE 2.94Å; D460-R747 IonicContact OD2-NH2 2.75Å; D460-R747 PolarHBondContact OD2-NH2 2.87Å
461	Y	82.2	Confident	78.1	Confident	21 Å²	21	60.8 Å²	60.8	8%	0.082	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-127.1	120.2	173.8	-179.1	-113	0	0	0	111.1	P463 D466 L469 L474 F476 L513	Y461-P463 HydrophobicContact CE1-CB 3.89Å; Y461-D466 HydrophobicContact CE2-CB 4.23Å; Y461-D466 WeakPolarHBondContact CE2-OD2 3.09Å; Y461-D466 PolarHBondContact OH-OD2 2.92Å; Y461-L469 WeakPolarHBondContact OH-CD2 3.44Å; Y461-L474 VanDerWaalsContact CD1-O 3.26Å; Y461-L474 WeakPolarHBondContact CD1-O 3.48Å; Y461-F476 VanDerWaalsContact CB-CE1 3.42Å; Y461-F476 VanDerWaalsContact CB-CE2 3.48Å; Y461-F476 HydrophobicContact CD1-CD1 4.16Å; Y461-F476 AromaticContact CD1-CE1 3.54Å; Y461-F476 HydrophobicContact CD1-CE1 3.54Å; Y461-F476 HydrophobicContact CD1-CZ 4.09Å; Y461-F476 AromaticContact CG-CE1 3.78Å; Y461-F476 HydrophobicContact CG-CE1 3.78Å; Y461-F476 AromaticContact CG-CZ 3.84Å; Y461-F476 HydrophobicContact CG-CZ 3.84Å; Y461-F476 PolarHBondContact N-O 2.87Å; Y461-F476 PolarHBondContact O-N 2.72Å; Y461-L513 HydrophobicContact CE2-CB 4.3Å; Y461-L513 HydrophobicContact CE2-CD2 4.35Å
462	D	80.6	Confident	78.6	Confident	63 Å²	63	60.7 Å²	60.7	34%	0.337	33%	0.328	S	S	.	.			trans	-108.7	102.8	174	-178.1	-5.1	0	0	0	109.2	T464 K465	D462-T464 PolarHBondContact O-N 3.15Å; D462-T464 VanDerWaalsContact O-N 3.09Å; D462-T464 WeakPolarHBondContact OD1-CB 3.13Å; D462-T464 WeakPolarHBondContact OD1-CG2 3.46Å; D462-T464 PolarHBondContact OD1-N 2.95Å; D462-T464 PolarHBondContact OD1-OG1 3.24Å; D462-T464 PolarHBondContact OD2-OG1 2.94Å; D462-K465 HydrophobicContact CB-CD 4.14Å; D462-K465 HydrophobicContact CB-CG 4.12Å; D462-K465 PolarHBondContact O-N 2.68Å; D462-K465 WeakPolarHBondContact OD2-CE 3.02Å
463	P	76.8	Confident	78.4	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.143	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-63.9	-15.9	-177.9	26.9	-35.8	0	0	0	112.9	Y461 K465 D466 L469 A475	Y461-P463 HydrophobicContact CE1-CB 3.89Å; P463-K465 PolarHBondContact O-N 3.15Å; P463-D466 PolarHBondContact O-N 3.44Å; P463-L469 HydrophobicContact CB-CD1 3.56Å; P463-L469 VanDerWaalsContact O-CD1 3.22Å; P463-L469 WeakPolarHBondContact O-CD1 3.1Å; P463-A475 HydrophobicContact CG-CB 3.92Å
464	T	74.3	Confident	78.2	Confident	104 Å²	104	53.4 Å²	53.4	64%	0.638	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17.4	175.7	72	0	0	0	0	112.9	D462	D462-T464 PolarHBondContact O-N 3.15Å; D462-T464 VanDerWaalsContact O-N 3.09Å; D462-T464 WeakPolarHBondContact OD1-CB 3.13Å; D462-T464 WeakPolarHBondContact OD1-CG2 3.46Å; D462-T464 PolarHBondContact OD1-N 2.95Å; D462-T464 PolarHBondContact OD1-OG1 3.24Å; D462-T464 PolarHBondContact OD2-OG1 2.94Å
465	K	73.7	Confident	78	Confident	159 Å²	159	55.2 Å²	55.2	69%	0.691	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-92.2	-3.8	177.3	-57.5	-173.6	-178.5	-172	0	113.1	D462 P463	D462-K465 HydrophobicContact CB-CD 4.14Å; D462-K465 HydrophobicContact CB-CG 4.12Å; D462-K465 PolarHBondContact O-N 2.68Å; D462-K465 WeakPolarHBondContact OD2-CE 3.02Å; P463-K465 PolarHBondContact O-N 3.15Å
466	D	71.6	Confident	77.9	Confident	43 Å²	43	55.3 Å²	55.3	23%	0.23	32%	0.315	C	S	.	.			trans	-111.8	107.8	-173.5	-167.2	-18.4	0	0	0	111.4	Y461 P463 G468 L469 W492	Y461-D466 HydrophobicContact CE2-CB 4.23Å; Y461-D466 WeakPolarHBondContact CE2-OD2 3.09Å; Y461-D466 PolarHBondContact OH-OD2 2.92Å; P463-D466 PolarHBondContact O-N 3.44Å; D466-G468 VanDerWaalsContact C-N 3.28Å; D466-G468 PolarHBondContact O-N 3.19Å; D466-G468 PolarHBondContact OD1-N 3.1Å; D466-L469 HydrophobicContact CB-CD1 4.06Å; D466-L469 HydrophobicContact CB-CG 4.25Å; D466-W492 WeakPolarHBondContact OD2-CH2 3.43Å
467	S	65.5	Low	77.6	Confident	133 Å²	133	58.8 Å²	58.8	93%	0.93	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.9	178.8	57	0	0	0	0	114
468	G	66.3	Low	77.5	Confident	45 Å²	45	60 Å²	60	46%	0.464	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.6	-175.7	0	0	0	0	0	114.7	D466 W492	D466-G468 VanDerWaalsContact C-N 3.28Å; D466-G468 PolarHBondContact O-N 3.19Å; D466-G468 PolarHBondContact OD1-N 3.1Å; G468-W492 WeakPolarHBondContact O-CZ2 3.47Å
469	L	66.8	Low	77.4	Confident	33 Å²	33	60.4 Å²	60.4	17%	0.173	35%	0.346	C	S	.	.			trans	-60.9	129.9	-174.2	-81.5	161.8	0	0	0	112.7	Y461 P463 D466 S471 G473 W492	Y461-L469 WeakPolarHBondContact OH-CD2 3.44Å; P463-L469 HydrophobicContact CB-CD1 3.56Å; P463-L469 VanDerWaalsContact O-CD1 3.22Å; P463-L469 WeakPolarHBondContact O-CD1 3.1Å; D466-L469 HydrophobicContact CB-CD1 4.06Å; D466-L469 HydrophobicContact CB-CG 4.25Å; L469-S471 PolarHBondContact O-N 3.31Å; L469-G473 VanDerWaalsContact CD2-CA 3.46Å; L469-W492 HydrophobicContact CD2-CE3 3.98Å; L469-W492 HydrophobicContact CD2-CH2 3.78Å; L469-W492 HydrophobicContact CD2-CZ3 3.37Å; L469-W492 HydrophobicContact CG-CH2 3.97Å; L469-W492 HydrophobicContact CG-CZ3 4.08Å
470	P	65.2	Low	77.6	Confident	65 Å²	65	59.8 Å²	59.8	42%	0.422	35%	0.345	S	S	.	.	S	Bend	trans	-66.9	-27.3	176.5	-17.4	28.1	0	0	0	112.7	W492 Y511	P470-W492 VanDerWaalsContact CD-CD2 3.47Å; P470-W492 VanDerWaalsContact CD-CE2 3.45Å; P470-W492 HydrophobicContact CG-CB 4.15Å; P470-W492 HydrophobicContact CG-CD2 3.87Å; P470-W492 HydrophobicContact CG-CG 3.5Å; P470-W492 VanDerWaalsContact CG-CG 3.5Å; P470-Y511 HydrophobicContact CB-CD2 4.01Å; P470-Y511 HydrophobicContact CB-CE1 4.4Å; P470-Y511 HydrophobicContact CB-CE2 3.69Å; P470-Y511 HydrophobicContact CB-CG 4.49Å; P470-Y511 HydrophobicContact CG-CD1 4.27Å; P470-Y511 HydrophobicContact CG-CD2 4.17Å; P470-Y511 HydrophobicContact CG-CE1 4.3Å; P470-Y511 HydrophobicContact CG-CE2 4.23Å; P470-Y511 HydrophobicContact CG-CG 4.18Å
471	S	70.1	Confident	77.9	Confident	74 Å²	74	57.9 Å²	57.9	52%	0.517	34%	0.335	S	S	.	.	S	Bend	trans	-152.9	-124.3	172.9	80.5	0	0	0	0	111.8	L469 Y511	L469-S471 PolarHBondContact O-N 3.31Å; S471-Y511 WeakPolarHBondContact OG-CD2 3.33Å; S471-Y511 WeakPolarHBondContact OG-CE2 3.26Å
472	R	71.7	Confident	78.3	Confident	188 Å²	188	56.9 Å²	56.9	71%	0.709	33%	0.331	S	S	*	.			trans	-81.3	130	170.5	-71.1	-177.2	176.2	-175.1	-1.7	109.9	L510 Y511	R472-L510 HydrophobicContact CB-CD2 3.47Å; R472-L510 VanDerWaalsContact CB-CD2 3.47Å; R472-Y511 PolarHBondContact O-N 3.2Å; R472-Y511 VanDerWaalsContact O-N 3.1Å
473	G	76.2	Confident	78.7	Confident	11 Å²	11	55 Å²	55	11%	0.113	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-89.8	150.9	173	0	0	0	0	0	112.5	L469 Y511	L469-G473 VanDerWaalsContact CD2-CA 3.46Å; G473-Y511 WeakPolarHBondContact CA-O 3.32Å
474	L	83.6	Confident	79.2	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	32%	0.316	C	S	.	.			trans	-82.5	110.4	176.7	-175.1	58.7	0	0	0	109.8	Y461 F476 L482 A495 K497 L510 Y511	Y461-L474 VanDerWaalsContact CD1-O 3.26Å; Y461-L474 WeakPolarHBondContact CD1-O 3.48Å; L474-F476 WeakPolarHBondContact O-CD1 3.42Å; L474-L482 HydrophobicContact CD2-CD2 3.97Å; L474-A495 HydrophobicContact CD2-CB 4.01Å; L474-K497 HydrophobicContact CD1-CB 4.23Å; L474-L510 HydrophobicContact CB-CB 3.67Å; L474-L510 HydrophobicContact CB-CD1 4.36Å; L474-L510 HydrophobicContact CD1-CB 4.25Å; L474-L510 HydrophobicContact CD1-CD1 3.93Å; L474-L510 HydrophobicContact CD1-CG 4.48Å; L474-L510 HydrophobicContact CG-CB 4.49Å; L474-Y511 PolarHBondContact N-O 3.01Å
475	A	86.1	Confident	79.6	Confident	57 Å²	57	51.8 Å²	51.8	47%	0.471	30%	0.3	S	S	.	.			trans	-72.4	133.7	172.6	0	0	0	0	0	111.1	P463	P463-A475 HydrophobicContact CG-CB 3.92Å
476	F	87.3	Confident	79.7	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.013	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-149.6	158.9	175.3	57.8	-95.1	0	0	0	111.4	A457 F459 Y461 L474 D480 L482 L512 Y572	A457-F476 HydrophobicContact CB-CD2 3.34Å; A457-F476 HydrophobicContact CB-CE2 3.54Å; A457-F476 HydrophobicContact CB-CG 4.28Å; F459-F476 HydrophobicContact CD2-CE2 4.11Å; F459-F476 HydrophobicContact CD2-CZ 4.5Å; F459-F476 HydrophobicContact CE1-CE2 4.24Å; F459-F476 HydrophobicContact CE1-CZ 4.4Å; F459-F476 AromaticContact CE2-CE2 3.75Å; F459-F476 HydrophobicContact CE2-CE2 3.75Å; F459-F476 AromaticContact CE2-CZ 3.71Å; F459-F476 HydrophobicContact CE2-CZ 3.71Å; F459-F476 AromaticContact CZ-CE2 3.82Å; F459-F476 HydrophobicContact CZ-CE2 3.82Å; F459-F476 AromaticContact CZ-CZ 3.65Å; F459-F476 HydrophobicContact CZ-CZ 3.65Å; Y461-F476 VanDerWaalsContact CB-CE1 3.42Å; Y461-F476 VanDerWaalsContact CB-CE2 3.48Å; Y461-F476 HydrophobicContact CD1-CD1 4.16Å; Y461-F476 AromaticContact CD1-CE1 3.54Å; Y461-F476 HydrophobicContact CD1-CE1 3.54Å; Y461-F476 HydrophobicContact CD1-CZ 4.09Å; Y461-F476 AromaticContact CG-CE1 3.78Å; Y461-F476 HydrophobicContact CG-CE1 3.78Å; Y461-F476 AromaticContact CG-CZ 3.84Å; Y461-F476 HydrophobicContact CG-CZ 3.84Å; Y461-F476 PolarHBondContact N-O 2.87Å; Y461-F476 PolarHBondContact O-N 2.72Å; L474-F476 WeakPolarHBondContact O-CD1 3.42Å; F476-D480 WeakPolarHBondContact CA-OD2 3.05Å; F476-D480 HydrophobicContact CB-CB 4.1Å; F476-L482 HydrophobicContact CB-CD2 4.08Å; F476-L482 HydrophobicContact CD1-CD1 3.92Å; F476-L482 HydrophobicContact CD1-CD2 4.44Å; F476-L482 HydrophobicContact CD2-CD1 4.48Å; F476-L482 HydrophobicContact CE1-CD1 4.14Å; F476-L482 HydrophobicContact CG-CD1 4.11Å; F476-L482 HydrophobicContact CG-CD2 4.35Å; F476-L482 HydrophobicContact CZ-CD1 4.46Å; F476-L512 HydrophobicContact CD1-CD1 3.93Å; F476-L512 HydrophobicContact CE1-CD1 3.16Å; F476-L512 HydrophobicContact CZ-CD1 3.74Å; F476-Y572 HydrophobicContact CE2-CE1 4.19Å; F476-Y572 AromaticContact CZ-CE1 3.83Å; F476-Y572 HydrophobicContact CZ-CE1 3.83Å; F476-Y572 WeakPolarHBondContact CZ-OH 3.45Å
477	N	85.9	Confident	80	Confident	90 Å²	90	45.6 Å²	45.6	48%	0.481	28%	0.28	S	S	.	.			trans	-110.2	164.3	174.5	-56.2	-58	0	0	0	110	F459 D460 G479 D480	F459-N477 CarbonylContact O-C 3.58Å; D460-N477 WeakPolarHBondContact OD1-CA 3.17Å; N477-G479 PolarHBondContact O-N 2.81Å; N477-D480 PolarHBondContact N-OD2 2.79Å; N477-D480 VanDerWaalsContact O-CB 3.31Å; N477-D480 WeakPolarHBondContact O-CB 3.31Å; N477-D480 PolarHBondContact O-N 3.43Å; N477-D480 VanDerWaalsContact O-N 3.1Å
478	Y	86.4	Confident	80.3	Confident	25 Å²	25	42 Å²	42	10%	0.098	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	131.2	168.5	-178.3	-75.2	0	0	0	111	L458 F459 D460 D480 G738 F741 L744	L458-Y478 HydrophobicContact CB-CD2 4.48Å; L458-Y478 HydrophobicContact CB-CE2 4Å; L458-Y478 HydrophobicContact CD2-CE2 4.12Å; L458-Y478 WeakPolarHBondContact O-CD2 3.06Å; L458-Y478 WeakPolarHBondContact O-CE2 3.39Å; F459-Y478 PolarHBondContact O-N 3.4Å; D460-Y478 PolarHBondContact OD1-N 3.19Å; Y478-D480 VanDerWaalsContact C-N 3.34Å; Y478-G738 PolarHBondContact OH-O 3.37Å; Y478-F741 HydrophobicContact CE1-CB 4.35Å; Y478-F741 WeakPolarHBondContact OH-CB 3.38Å; Y478-F741 PolarHBondContact OH-O 3.01Å; Y478-L744 HydrophobicContact CD1-CB 3.36Å; Y478-L744 HydrophobicContact CD1-CD2 4.01Å; Y478-L744 HydrophobicContact CD1-CG 4.34Å; Y478-L744 HydrophobicContact CD2-CB 4.31Å; Y478-L744 HydrophobicContact CD2-CD2 3.37Å; Y478-L744 HydrophobicContact CD2-CG 4.49Å; Y478-L744 HydrophobicContact CE1-CB 3.71Å; Y478-L744 HydrophobicContact CE1-CD2 4.4Å; Y478-L744 HydrophobicContact CE2-CD2 3.81Å; Y478-L744 HydrophobicContact CG-CB 3.76Å; Y478-L744 HydrophobicContact CG-CD2 3.52Å; Y478-L744 HydrophobicContact CG-CG 4.29Å
479	G	87	Confident	80.4	Confident	19 Å²	19	43.5 Å²	43.5	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-11.1	177.9	0	0	0	0	0	114.9	A457 N477	A457-G479 PolarHBondContact O-N 2.69Å; N477-G479 PolarHBondContact O-N 2.81Å
480	D	88.2	Confident	80.4	Confident	32 Å²	32	47.5 Å²	47.5	17%	0.171	27%	0.274	C	S	.	.			trans	-61.8	143.1	175.6	-78.3	-32.6	0	0	0	111.2	R456 A457 F476 N477 Y478 L482 K497	R456-D480 WeakPolarHBondContact CA-O 3.23Å; A457-D480 PolarHBondContact N-O 3.47Å; F476-D480 WeakPolarHBondContact CA-OD2 3.05Å; F476-D480 HydrophobicContact CB-CB 4.1Å; N477-D480 PolarHBondContact N-OD2 2.79Å; N477-D480 VanDerWaalsContact O-CB 3.31Å; N477-D480 WeakPolarHBondContact O-CB 3.31Å; N477-D480 PolarHBondContact O-N 3.43Å; N477-D480 VanDerWaalsContact O-N 3.1Å; Y478-D480 VanDerWaalsContact C-N 3.34Å; D480-L482 HydrophobicContact CB-CD2 4.44Å; D480-K497 WeakPolarHBondContact OD1-CE 3.25Å; D480-K497 IonicContact OD1-NZ 2.65Å; D480-K497 PolarHBondContact OD1-NZ 2.93Å; D480-K497 VanDerWaalsContact OD2-CE 3.23Å; D480-K497 WeakPolarHBondContact OD2-CE 3.35Å; D480-K497 IonicContact OD2-NZ 3.66Å; D480-K497 PolarHBondContact OD2-NZ 3.34Å
481	I	90.1	Very high	80.5	Confident	16 Å²	16	49.5 Å²	49.5	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.6	176.4	-52.2	-60	0	0	0	109.1	F454 V455 R456 R498 V575 W773	F454-I481 HydrophobicContact CB-CG2 4.4Å; F454-I481 HydrophobicContact CD1-CG2 4.21Å; V455-I481 CarbonylContact O-C 2.99Å; V455-I481 WeakPolarHBondContact O-CA 3.44Å; R456-I481 HydrophobicContact CB-CD1 3.88Å; R456-I481 HydrophobicContact CG-CD1 4.11Å; I481-R498 HydrophobicContact CB-CB 4.39Å; I481-R498 HydrophobicContact CG2-CB 4.45Å; I481-R498 PolarHBondContact O-N 2.89Å; I481-V575 HydrophobicContact CD1-CG2 4.28Å; I481-W773 HydrophobicContact CD1-CB 4.01Å; I481-W773 HydrophobicContact CD1-CD2 4.17Å; I481-W773 HydrophobicContact CD1-CG 3.78Å; I481-W773 HydrophobicContact CG1-CD2 4.16Å; I481-W773 HydrophobicContact CG1-CG 3.94Å; I481-W773 HydrophobicContact CG2-CD2 4.03Å; I481-W773 HydrophobicContact CG2-CE3 4.28Å; I481-W773 HydrophobicContact CG2-CH2 3.96Å; I481-W773 HydrophobicContact CG2-CZ2 3.73Å; I481-W773 HydrophobicContact CG2-CZ3 4.24Å
482	L	90.3	Very high	80.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.8	-177.7	-48.1	178.5	0	0	0	108.9	F454 V455 A457 L474 F476 D480 A495 R496 K497 L512 Y572	F454-L482 WeakPolarHBondContact CA-O 3.38Å; V455-L482 HydrophobicContact CG2-CB 3.82Å; V455-L482 HydrophobicContact CG2-CD1 4.35Å; V455-L482 HydrophobicContact CG2-CG 4.44Å; V455-L482 PolarHBondContact N-O 3.28Å; V455-L482 PolarHBondContact O-N 3.01Å; A457-L482 HydrophobicContact CB-CD1 4.39Å; L474-L482 HydrophobicContact CD2-CD2 3.97Å; F476-L482 HydrophobicContact CB-CD2 4.08Å; F476-L482 HydrophobicContact CD1-CD1 3.92Å; F476-L482 HydrophobicContact CD1-CD2 4.44Å; F476-L482 HydrophobicContact CD2-CD1 4.48Å; F476-L482 HydrophobicContact CE1-CD1 4.14Å; F476-L482 HydrophobicContact CG-CD1 4.11Å; F476-L482 HydrophobicContact CG-CD2 4.35Å; F476-L482 HydrophobicContact CZ-CD1 4.46Å; D480-L482 HydrophobicContact CB-CD2 4.44Å; L482-A495 HydrophobicContact CB-CB 4.47Å; L482-R496 CarbonylContact C-O 3.47Å; L482-R496 WeakPolarHBondContact CA-O 3.43Å; L482-K497 HydrophobicContact CD2-CB 4.19Å; L482-K497 HydrophobicContact CD2-CG 4.33Å; L482-L512 HydrophobicContact CD1-CD1 3.57Å; L482-L512 HydrophobicContact CD1-CD2 3.92Å; L482-L512 HydrophobicContact CD1-CG 4.42Å; L482-Y572 HydrophobicContact CD1-CD1 4.43Å; L482-Y572 HydrophobicContact CD1-CE1 4.01Å
483	H	89.9	Confident	81.1	Confident	22 Å²	22	38.5 Å²	38.5	10%	0.102	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	109.6	169.6	-176.4	-169.6	0	0	0	108.1	F454 T485 A495 R496 E504	F454-H483 HydrophobicContact CD1-CB 3.81Å; F454-H483 HydrophobicContact CE1-CB 3.57Å; F454-H483 AromaticContact CE1-CD2 3.99Å; F454-H483 AromaticContact CE1-CG 3.61Å; F454-H483 HydrophobicContact CZ-CB 4.46Å; H483-T485 PolarHBondContact O-N 3.14Å; H483-A495 CarbonylContact O-C 3.48Å; H483-A495 WeakPolarHBondContact O-CA 3.25Å; H483-A495 WeakPolarHBondContact O-CB 3.36Å; H483-R496 PolarHBondContact N-O 2.92Å; H483-R496 PolarHBondContact O-N 3.28Å; H483-E504 IonicContact CE1-OE1 2.57Å; H483-E504 IonicContact CG-OE1 2.88Å; H483-E504 IonicContact ND1-OE1 2.85Å; H483-E504 PolarHBondContact ND1-OE1 2.96Å
484	V	86.9	Confident	81.2	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108	177.4	-177.5	0	0	0	0	108.3	L453 V455 A487 W493 L512	L453-V484 HydrophobicContact CB-CB 4.2Å; L453-V484 HydrophobicContact CD2-CB 3.9Å; L453-V484 HydrophobicContact CD2-CG1 4.09Å; L453-V484 HydrophobicContact CD2-CG2 4.28Å; L453-V484 HydrophobicContact CG-CB 4.02Å; L453-V484 HydrophobicContact CG-CG2 4.32Å; L453-V484 PolarHBondContact O-N 3.02Å; V455-V484 HydrophobicContact CG1-CG2 4.2Å; V455-V484 HydrophobicContact CG2-CG2 3.94Å; V484-A487 HydrophobicContact CG1-CB 4Å; V484-W493 HydrophobicContact CG1-CB 4.16Å; V484-W493 HydrophobicContact CG1-CD2 4.28Å; V484-W493 HydrophobicContact CG1-CE3 4.24Å; V484-W493 HydrophobicContact CG1-CG 4.29Å; V484-W493 HydrophobicContact CG2-CE3 4.02Å; V484-W493 HydrophobicContact CG2-CZ3 4.47Å; V484-L512 HydrophobicContact CG2-CD2 4.2Å
485	T	82.7	Confident	81.3	Confident	51 Å²	51	40 Å²	40	31%	0.313	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-24.5	-175.4	58.3	0	0	0	0	112.2	H483 Q494 R496 F509	H483-T485 PolarHBondContact O-N 3.14Å; T485-Q494 PolarHBondContact N-O 3.33Å; T485-Q494 PolarHBondContact OG1-O 3.24Å; T485-Q494 VanDerWaalsContact OG1-O 3.14Å; T485-R496 HydrophobicContact CG2-CG 4.49Å; T485-F509 HydrophobicContact CG2-CD1 4.23Å; T485-F509 HydrophobicContact CG2-CE1 3.84Å; T485-F509 WeakPolarHBondContact OG1-CD1 3.43Å; T485-F509 WeakPolarHBondContact OG1-CE1 3.29Å
486	N	75.9	Confident	81.3	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	115.7	176.1	-170.4	-12.8	0	0	0	110.2	C488 W493 Q494	N486-C488 WeakPolarHBondContact OD1-CB 3.22Å; N486-C488 PolarHBondContact OD1-N 3.02Å; N486-C488 PolarHBondContact OD1-SG 3.01Å; N486-W493 CarbonylContact O-C 3.54Å; N486-W493 WeakPolarHBondContact O-CA 3.4Å; N486-Q494 HydrophobicContact CB-CB 3.92Å; N486-Q494 HydrophobicContact CB-CG 4.17Å; N486-Q494 PolarHBondContact N-O 2.88Å; N486-Q494 PolarHBondContact O-N 2.67Å
487	A	78	Confident	81.3	Confident	45 Å²	45	42 Å²	42	37%	0.372	23%	0.225	S	C	.	.			trans	-109.2	19.3	177.4	0	0	0	0	0	112.7	V484 D489 W493	V484-A487 HydrophobicContact CG1-CB 4Å; A487-D489 VanDerWaalsContact C-N 3.34Å; A487-D489 PolarHBondContact O-N 2.92Å; A487-W493 HydrophobicContact CB-CD2 4.4Å; A487-W493 HydrophobicContact CB-CG 4.23Å
488	C	70.7	Confident	81.2	Confident	59 Å²	59	40.4 Å²	40.4	40%	0.399	21%	0.212	S	C	.	.			trans	-74.5	-21.4	-171.2	-70.4	0	0	0	0	115	R438 N486	R438-C488 PolarHBondContact NH2-SG 3.46Å; N486-C488 WeakPolarHBondContact OD1-CB 3.22Å; N486-C488 PolarHBondContact OD1-N 3.02Å; N486-C488 PolarHBondContact OD1-SG 3.01Å
489	D	68.9	Low	80.7	Confident	75 Å²	75	42.2 Å²	42.2	40%	0.401	22%	0.224	S	C	.	.	S	Bend	trans	-91.4	134.2	175	-175.7	-53.5	0	0	0	108.6	A487 E491 W492	A487-D489 VanDerWaalsContact C-N 3.34Å; A487-D489 PolarHBondContact O-N 2.92Å; D489-E491 VanDerWaalsContact C-N 3.27Å; D489-E491 PolarHBondContact O-N 3.22Å; D489-E491 WeakPolarHBondContact OD1-CA 3.28Å; D489-E491 PolarHBondContact OD1-N 3.28Å; D489-W492 WeakPolarHBondContact CB-O 3.49Å; D489-W492 PolarHBondContact OD1-N 3.34Å
490	D	66.7	Low	79.7	Confident	118 Å²	118	50.9 Å²	50.9	63%	0.631	25%	0.25	S	S	*	.	S	Bend	trans	-77.1	-10.4	-175.6	-82.4	-35.8	0	0	0	114.1	K514	D490-K514 WeakPolarHBondContact O-CD 3.08Å; D490-K514 IonicContact OD1-NZ 3.47Å; D490-K514 PolarHBondContact OD1-NZ 3.25Å
491	E	67	Low	78.6	Confident	107 Å²	107	55 Å²	55	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-114.6	-31.5	176.4	-66.1	-173.5	170.1	0	0	111.8	D489 K514	D489-E491 VanDerWaalsContact C-N 3.27Å; D489-E491 PolarHBondContact O-N 3.22Å; D489-E491 WeakPolarHBondContact OD1-CA 3.28Å; D489-E491 PolarHBondContact OD1-N 3.28Å; E491-K514 WeakPolarHBondContact O-CB 3.41Å; E491-K514 PolarHBondContact O-N 3.17Å
492	W	73.5	Confident	77.2	Confident	17 Å²	17	56.1 Å²	56.1	6%	0.064	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	99.3	-169.9	-58.1	99.5	0	0	0	113.9	D466 G468 L469 P470 D489 Y511 L512 L513	D466-W492 WeakPolarHBondContact OD2-CH2 3.43Å; G468-W492 WeakPolarHBondContact O-CZ2 3.47Å; L469-W492 HydrophobicContact CD2-CE3 3.98Å; L469-W492 HydrophobicContact CD2-CH2 3.78Å; L469-W492 HydrophobicContact CD2-CZ3 3.37Å; L469-W492 HydrophobicContact CG-CH2 3.97Å; L469-W492 HydrophobicContact CG-CZ3 4.08Å; P470-W492 VanDerWaalsContact CD-CD2 3.47Å; P470-W492 VanDerWaalsContact CD-CE2 3.45Å; P470-W492 HydrophobicContact CG-CB 4.15Å; P470-W492 HydrophobicContact CG-CD2 3.87Å; P470-W492 HydrophobicContact CG-CG 3.5Å; P470-W492 VanDerWaalsContact CG-CG 3.5Å; D489-W492 WeakPolarHBondContact CB-O 3.49Å; D489-W492 PolarHBondContact OD1-N 3.34Å; W492-Y511 HydrophobicContact CB-CD1 3.52Å; W492-Y511 HydrophobicContact CB-CE1 4.17Å; W492-Y511 HydrophobicContact CB-CG 4.22Å; W492-Y511 HydrophobicContact CG-CD1 4.37Å; W492-L512 CarbonylContact C-O 3.29Å; W492-L512 WeakPolarHBondContact CA-O 3.48Å; W492-L513 HydrophobicContact CE3-CB 4.34Å; W492-L513 HydrophobicContact CE3-CD1 4.32Å; W492-L513 HydrophobicContact CH2-CB 4.46Å; W492-L513 HydrophobicContact CH2-CD1 3.66Å; W492-L513 HydrophobicContact CZ2-CD1 4.08Å; W492-L513 HydrophobicContact CZ3-CB 3.81Å; W492-L513 HydrophobicContact CZ3-CD1 3.76Å; W492-L513 HydrophobicContact CZ3-CG 4.41Å
493	W	82.1	Confident	75.8	Confident	13 Å²	13	59.2 Å²	59.2	5%	0.049	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	149.7	169.7	-66.3	-8.1	0	0	0	110.7	V484 N486 A487 Y511 L512 K514 Y572 L780	V484-W493 HydrophobicContact CG1-CB 4.16Å; V484-W493 HydrophobicContact CG1-CD2 4.28Å; V484-W493 HydrophobicContact CG1-CE3 4.24Å; V484-W493 HydrophobicContact CG1-CG 4.29Å; V484-W493 HydrophobicContact CG2-CE3 4.02Å; V484-W493 HydrophobicContact CG2-CZ3 4.47Å; N486-W493 CarbonylContact O-C 3.54Å; N486-W493 WeakPolarHBondContact O-CA 3.4Å; A487-W493 HydrophobicContact CB-CD2 4.4Å; A487-W493 HydrophobicContact CB-CG 4.23Å; W493-Y511 CarbonylContact O-C 3.52Å; W493-Y511 WeakPolarHBondContact O-CA 3.21Å; W493-L512 HydrophobicContact CB-CB 4.02Å; W493-L512 HydrophobicContact CB-CD2 4.22Å; W493-L512 HydrophobicContact CB-CG 4.38Å; W493-L512 HydrophobicContact CE3-CD2 3.97Å; W493-L512 PolarHBondContact N-O 3.47Å; W493-L512 WeakPolarHBondContact O-CB 3.31Å; W493-L512 PolarHBondContact O-N 2.82Å; W493-K514 HydrophobicContact CD2-CB 4.47Å; W493-K514 HydrophobicContact CD2-CG 4.3Å; W493-K514 HydrophobicContact CH2-CG 4.45Å; W493-K514 HydrophobicContact CZ2-CD 4.05Å; W493-K514 HydrophobicContact CZ2-CG 3.7Å; W493-Y572 AromaticContact CZ3-CD2 3.96Å; W493-Y572 HydrophobicContact CZ3-CD2 3.96Å; W493-Y572 HydrophobicContact CZ3-CE2 4.42Å; W493-L780 HydrophobicContact CH2-CD1 4.26Å; W493-L780 HydrophobicContact CH2-CD2 3.9Å; W493-L780 HydrophobicContact CH2-CG 4.48Å; W493-L780 HydrophobicContact CZ3-CD2 4.26Å
494	Q	78.8	Confident	74.3	Confident	56 Å²	56	61.5 Å²	61.5	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.6	165.2	-57.3	176	-10.4	0	0	108	T485 N486 F509 L510 Y511	T485-Q494 PolarHBondContact N-O 3.33Å; T485-Q494 PolarHBondContact OG1-O 3.24Å; T485-Q494 VanDerWaalsContact OG1-O 3.14Å; N486-Q494 HydrophobicContact CB-CB 3.92Å; N486-Q494 HydrophobicContact CB-CG 4.17Å; N486-Q494 PolarHBondContact N-O 2.88Å; N486-Q494 PolarHBondContact O-N 2.67Å; Q494-F509 HydrophobicContact CB-CB 4.34Å; Q494-L510 WeakPolarHBondContact CA-O 2.99Å; Q494-Y511 HydrophobicContact CG-CD1 4.33Å; Q494-Y511 HydrophobicContact CG-CE1 4.27Å
495	A	85.9	Confident	73.1	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.5	-178.6	0	0	0	0	0	112	L474 L482 H483 L510 L512	L474-A495 HydrophobicContact CD2-CB 4.01Å; L482-A495 HydrophobicContact CB-CB 4.47Å; H483-A495 CarbonylContact O-C 3.48Å; H483-A495 WeakPolarHBondContact O-CA 3.25Å; H483-A495 WeakPolarHBondContact O-CB 3.36Å; A495-L510 PolarHBondContact N-O 2.78Å; A495-L510 VanDerWaalsContact N-O 3.11Å; A495-L510 PolarHBondContact O-N 3.2Å; A495-L512 HydrophobicContact CB-CB 4.09Å; A495-L512 HydrophobicContact CB-CD2 3.71Å; A495-L512 HydrophobicContact CB-CG 4.46Å
496	R	85.3	Confident	71.4	Confident	58 Å²	58	66.5 Å²	66.5	22%	0.219	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.9	169.5	-62.6	177	179.1	-138.7	-5.4	108.8	L482 H483 T485 E504 F509	L482-R496 CarbonylContact C-O 3.47Å; L482-R496 WeakPolarHBondContact CA-O 3.43Å; H483-R496 PolarHBondContact N-O 2.92Å; H483-R496 PolarHBondContact O-N 3.28Å; T485-R496 HydrophobicContact CG2-CG 4.49Å; R496-E504 VanDerWaalsContact CD-OE2 3.24Å; R496-E504 WeakPolarHBondContact CD-OE2 3.23Å; R496-E504 IonicContact NH1-OE2 2.7Å; R496-F509 HydrophobicContact CG-CD1 4.47Å
497	K	86.7	Confident	70.1	Confident	44 Å²	44	68.3 Å²	68.3	19%	0.191	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.3	170.5	-178.4	172.2	169.8	167.6	0	108.6	L474 D480 L482 D505	L474-K497 HydrophobicContact CD1-CB 4.23Å; D480-K497 WeakPolarHBondContact OD1-CE 3.25Å; D480-K497 IonicContact OD1-NZ 2.65Å; D480-K497 PolarHBondContact OD1-NZ 2.93Å; D480-K497 VanDerWaalsContact OD2-CE 3.23Å; D480-K497 WeakPolarHBondContact OD2-CE 3.35Å; D480-K497 IonicContact OD2-NZ 3.66Å; D480-K497 PolarHBondContact OD2-NZ 3.34Å; L482-K497 HydrophobicContact CD2-CB 4.19Å; L482-K497 HydrophobicContact CD2-CG 4.33Å; K497-D505 PolarHBondContact O-N 3.4Å; K497-D505 VanDerWaalsContact O-N 3.16Å
498	R	83.7	Confident	68.7	Low	55 Å²	55	72.2 Å²	72.2	21%	0.208	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-79.7	123.6	173	-161.1	176.3	-179.6	167.4	-8.8	108.7	I481 Q577	I481-R498 HydrophobicContact CB-CB 4.39Å; I481-R498 HydrophobicContact CG2-CB 4.45Å; I481-R498 PolarHBondContact O-N 2.89Å; R498-Q577 VanDerWaalsContact NH1-CD 3.27Å; R498-Q577 VanDerWaalsContact NH1-OE1 3.14Å; R498-Q577 VanDerWaalsContact NH2-OE1 3.12Å
499	L	75.9	Confident	68.1	Low	64 Å²	64	74.2 Å²	74.2	34%	0.335	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-79.5	164	177	-59.3	176.7	0	0	0	110.6	D501 G502 T503 D505	L499-D501 VanDerWaalsContact C-N 3.29Å; L499-D501 PolarHBondContact O-N 3.47Å; L499-G502 PolarHBondContact O-N 2.97Å; L499-G502 VanDerWaalsContact O-N 3.08Å; L499-T503 WeakPolarHBondContact CA-O 3.31Å; L499-T503 VanDerWaalsContact CB-O 3.25Å; L499-T503 WeakPolarHBondContact CB-O 3.4Å; L499-T503 PolarHBondContact N-O 3.27Å; L499-D505 HydrophobicContact CD1-CB 4.16Å; L499-D505 HydrophobicContact CD2-CB 4.21Å; L499-D505 HydrophobicContact CG-CB 4.1Å
500	R	66.6	Low	67.5	Low	200 Å²	200	71.6 Å²	71.6	76%	0.755	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.4	-169.8	-62.8	170.5	172.5	-150.3	-18.5	113.5	G502 E766	R500-G502 PolarHBondContact O-N 2.88Å; R500-E766 IonicContact CZ-OE1 3.57Å; R500-E766 VanDerWaalsContact CZ-OE1 3.3Å; R500-E766 IonicContact CZ-OE2 2.59Å; R500-E766 IonicContact NH1-OE1 3.56Å; R500-E766 PolarHBondContact NH1-OE1 3.34Å; R500-E766 IonicContact NH1-OE2 2.94Å; R500-E766 IonicContact NH2-OE1 3.05Å; R500-E766 PolarHBondContact NH2-OE1 3.38Å; R500-E766 IonicContact NH2-OE2 3.48Å; R500-E766 PolarHBondContact NH2-OE2 2.84Å; R500-E766 VanDerWaalsContact NH2-OE2 3.15Å
501	D	64.7	Low	66.9	Low	118 Å²	118	68.6 Å²	68.6	63%	0.631	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	3.5	176.1	62.2	-4.8	0	0	0	112.8	L499 T503	L499-D501 VanDerWaalsContact C-N 3.29Å; L499-D501 PolarHBondContact O-N 3.47Å; D501-T503 VanDerWaalsContact CG-OG1 3.23Å; D501-T503 PolarHBondContact O-N 2.97Å; D501-T503 VanDerWaalsContact OD1-CB 3.3Å; D501-T503 WeakPolarHBondContact OD1-CB 3.38Å; D501-T503 WeakPolarHBondContact OD1-CG2 3.44Å; D501-T503 PolarHBondContact OD1-N 3.21Å; D501-T503 PolarHBondContact OD1-OG1 2.86Å; D501-T503 WeakPolarHBondContact OD2-CG2 3.48Å; D501-T503 PolarHBondContact OD2-OG1 3.35Å
502	G	61.8	Low	66.5	Low	40 Å²	40	63.5 Å²	63.5	41%	0.412	32%	0.322	S	S	.	.	S	Bend	trans	82.6	-4.7	-176	0	0	0	0	0	113.6	L499 R500	L499-G502 PolarHBondContact O-N 2.97Å; L499-G502 VanDerWaalsContact O-N 3.08Å; R500-G502 PolarHBondContact O-N 2.88Å
503	T	59.8	Low	65.8	Low	66 Å²	66	65.1 Å²	65.1	41%	0.405	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72.5	149.9	170.1	69.8	0	0	0	0	109.7	L499 D501	L499-T503 WeakPolarHBondContact CA-O 3.31Å; L499-T503 VanDerWaalsContact CB-O 3.25Å; L499-T503 WeakPolarHBondContact CB-O 3.4Å; L499-T503 PolarHBondContact N-O 3.27Å; D501-T503 VanDerWaalsContact CG-OG1 3.23Å; D501-T503 PolarHBondContact O-N 2.97Å; D501-T503 VanDerWaalsContact OD1-CB 3.3Å; D501-T503 WeakPolarHBondContact OD1-CB 3.38Å; D501-T503 WeakPolarHBondContact OD1-CG2 3.44Å; D501-T503 PolarHBondContact OD1-N 3.21Å; D501-T503 PolarHBondContact OD1-OG1 2.86Å; D501-T503 WeakPolarHBondContact OD2-CG2 3.48Å; D501-T503 PolarHBondContact OD2-OG1 3.35Å
504	E	59.8	Low	64.7	Low	69 Å²	69	66.6 Å²	66.6	32%	0.322	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-86.7	140.7	167.8	-62.8	-172	155.9	0	0	108.2	H483 R496 S506	H483-E504 IonicContact CE1-OE1 2.57Å; H483-E504 IonicContact CG-OE1 2.88Å; H483-E504 IonicContact ND1-OE1 2.85Å; H483-E504 PolarHBondContact ND1-OE1 2.96Å; R496-E504 VanDerWaalsContact CD-OE2 3.24Å; R496-E504 WeakPolarHBondContact CD-OE2 3.23Å; R496-E504 IonicContact NH1-OE2 2.7Å; E504-S506 PolarHBondContact O-N 3.32Å; E504-S506 VanDerWaalsContact O-N 3.09Å
505	D	60	Low	63.6	Low	52 Å²	52	66 Å²	66	28%	0.278	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-55.5	122	171.4	-168.3	-22.6	0	0	0	108.6	K497 L499 T507	K497-D505 PolarHBondContact O-N 3.4Å; K497-D505 VanDerWaalsContact O-N 3.16Å; L499-D505 HydrophobicContact CD1-CB 4.16Å; L499-D505 HydrophobicContact CD2-CB 4.21Å; L499-D505 HydrophobicContact CG-CB 4.1Å; D505-T507 PolarHBondContact O-N 3.29Å; D505-T507 WeakPolarHBondContact OD1-CB 3.42Å; D505-T507 PolarHBondContact OD1-N 3.29Å; D505-T507 PolarHBondContact OD1-OG1 2.93Å
506	S	47.8	Very low	61.4	Low	113 Å²	113	71.2 Å²	71.2	79%	0.79	37%	0.366	S	S	*	.			trans	-62.9	-3.5	-178.4	60.9	0	0	0	0	114	E504 N508	E504-S506 PolarHBondContact O-N 3.32Å; E504-S506 VanDerWaalsContact O-N 3.09Å; S506-N508 PolarHBondContact O-N 2.71Å
507	T	49.6	Very low	59	Low	64 Å²	64	71 Å²	71	39%	0.393	37%	0.369	S	S	.	.	S	Bend	trans	-68.3	126.2	177	-47.8	0	0	0	0	110.7	D505 L510	D505-T507 PolarHBondContact O-N 3.29Å; D505-T507 WeakPolarHBondContact OD1-CB 3.42Å; D505-T507 PolarHBondContact OD1-N 3.29Å; D505-T507 PolarHBondContact OD1-OG1 2.93Å; T507-L510 HydrophobicContact CG2-CD1 4.26Å
508	N	48.4	Very low	56.2	Low	127 Å²	127	72.7 Å²	72.7	68%	0.679	39%	0.386	S	S	*	.			trans	-44.3	148.7	-178.4	-68.1	-37.3	0	0	0	113.3	S506 L510	S506-N508 PolarHBondContact O-N 2.71Å; N508-L510 WeakPolarHBondContact O-CD2 3.24Å; N508-L510 WeakPolarHBondContact O-CG 3.25Å; N508-L510 PolarHBondContact O-N 3.38Å; N508-L510 VanDerWaalsContact O-N 3.09Å
509	F	56.2	Low	53.5	Low	101 Å²	101	78.7 Å²	78.7	44%	0.443	41%	0.414	S	S	.	.			trans	-36.3	113.7	173.2	-57.1	-82	0	0	0	112.6	T485 Q494 R496	T485-F509 HydrophobicContact CG2-CD1 4.23Å; T485-F509 HydrophobicContact CG2-CE1 3.84Å; T485-F509 WeakPolarHBondContact OG1-CD1 3.43Å; T485-F509 WeakPolarHBondContact OG1-CE1 3.29Å; Q494-F509 HydrophobicContact CB-CB 4.34Å; R496-F509 HydrophobicContact CG-CD1 4.47Å
510	L	57.1	Low	51	Low	21 Å²	21	81.4 Å²	81.4	11%	0.11	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.4	-177.9	-65.5	-171.6	0	0	0	110	R472 L474 Q494 A495 T507 N508	R472-L510 HydrophobicContact CB-CD2 3.47Å; R472-L510 VanDerWaalsContact CB-CD2 3.47Å; L474-L510 HydrophobicContact CB-CB 3.67Å; L474-L510 HydrophobicContact CB-CD1 4.36Å; L474-L510 HydrophobicContact CD1-CB 4.25Å; L474-L510 HydrophobicContact CD1-CD1 3.93Å; L474-L510 HydrophobicContact CD1-CG 4.48Å; L474-L510 HydrophobicContact CG-CB 4.49Å; Q494-L510 WeakPolarHBondContact CA-O 2.99Å; A495-L510 PolarHBondContact N-O 2.78Å; A495-L510 VanDerWaalsContact N-O 3.11Å; A495-L510 PolarHBondContact O-N 3.2Å; T507-L510 HydrophobicContact CG2-CD1 4.26Å; N508-L510 WeakPolarHBondContact O-CD2 3.24Å; N508-L510 WeakPolarHBondContact O-CG 3.25Å; N508-L510 PolarHBondContact O-N 3.38Å; N508-L510 VanDerWaalsContact O-N 3.09Å
511	Y	54.7	Low	49	Very low	55 Å²	55	79.1 Å²	79.1	22%	0.216	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133	179.8	-69.3	-71.2	0	0	0	110.7	P470 S471 R472 G473 L474 W492 W493 Q494	P470-Y511 HydrophobicContact CB-CD2 4.01Å; P470-Y511 HydrophobicContact CB-CE1 4.4Å; P470-Y511 HydrophobicContact CB-CE2 3.69Å; P470-Y511 HydrophobicContact CB-CG 4.49Å; P470-Y511 HydrophobicContact CG-CD1 4.27Å; P470-Y511 HydrophobicContact CG-CD2 4.17Å; P470-Y511 HydrophobicContact CG-CE1 4.3Å; P470-Y511 HydrophobicContact CG-CE2 4.23Å; P470-Y511 HydrophobicContact CG-CG 4.18Å; S471-Y511 WeakPolarHBondContact OG-CD2 3.33Å; S471-Y511 WeakPolarHBondContact OG-CE2 3.26Å; R472-Y511 PolarHBondContact O-N 3.2Å; R472-Y511 VanDerWaalsContact O-N 3.1Å; G473-Y511 WeakPolarHBondContact CA-O 3.32Å; L474-Y511 PolarHBondContact N-O 3.01Å; W492-Y511 HydrophobicContact CB-CD1 3.52Å; W492-Y511 HydrophobicContact CB-CE1 4.17Å; W492-Y511 HydrophobicContact CB-CG 4.22Å; W492-Y511 HydrophobicContact CG-CD1 4.37Å; W493-Y511 CarbonylContact O-C 3.52Å; W493-Y511 WeakPolarHBondContact O-CA 3.21Å; Q494-Y511 HydrophobicContact CG-CD1 4.33Å; Q494-Y511 HydrophobicContact CG-CE1 4.27Å
512	L	58	Low	47.1	Very low	0 Å²	0	82 Å²	82	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.8	-179.1	175.6	66.3	0	0	0	106.6	F476 L482 V484 W492 W493 A495 K514 Y572	F476-L512 HydrophobicContact CD1-CD1 3.93Å; F476-L512 HydrophobicContact CE1-CD1 3.16Å; F476-L512 HydrophobicContact CZ-CD1 3.74Å; L482-L512 HydrophobicContact CD1-CD1 3.57Å; L482-L512 HydrophobicContact CD1-CD2 3.92Å; L482-L512 HydrophobicContact CD1-CG 4.42Å; V484-L512 HydrophobicContact CG2-CD2 4.2Å; W492-L512 CarbonylContact C-O 3.29Å; W492-L512 WeakPolarHBondContact CA-O 3.48Å; W493-L512 HydrophobicContact CB-CB 4.02Å; W493-L512 HydrophobicContact CB-CD2 4.22Å; W493-L512 HydrophobicContact CB-CG 4.38Å; W493-L512 HydrophobicContact CE3-CD2 3.97Å; W493-L512 PolarHBondContact N-O 3.47Å; W493-L512 WeakPolarHBondContact O-CB 3.31Å; W493-L512 PolarHBondContact O-N 2.82Å; A495-L512 HydrophobicContact CB-CB 4.09Å; A495-L512 HydrophobicContact CB-CD2 3.71Å; A495-L512 HydrophobicContact CB-CG 4.46Å; L512-K514 PolarHBondContact O-N 2.9Å; L512-Y572 HydrophobicContact CD1-CE1 3.83Å; L512-Y572 WeakPolarHBondContact CD1-OH 3.33Å; L512-Y572 HydrophobicContact CD2-CE1 4.3Å; L512-Y572 HydrophobicContact CG-CE1 4.32Å; L512-Y572 WeakPolarHBondContact CG-OH 3.44Å
513	L	58	Low	45.3	Very low	50 Å²	50	83.4 Å²	83.4	26%	0.262	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	120	-179.6	-179.4	67.3	0	0	0	109.6	Y461 W492 V515 Y572	Y461-L513 HydrophobicContact CE2-CB 4.3Å; Y461-L513 HydrophobicContact CE2-CD2 4.35Å; W492-L513 HydrophobicContact CE3-CB 4.34Å; W492-L513 HydrophobicContact CE3-CD1 4.32Å; W492-L513 HydrophobicContact CH2-CB 4.46Å; W492-L513 HydrophobicContact CH2-CD1 3.66Å; W492-L513 HydrophobicContact CZ2-CD1 4.08Å; W492-L513 HydrophobicContact CZ3-CB 3.81Å; W492-L513 HydrophobicContact CZ3-CD1 3.76Å; W492-L513 HydrophobicContact CZ3-CG 4.41Å; L513-V515 HydrophobicContact CD2-CG2 3.89Å; L513-V515 HydrophobicContact CG-CG2 4.05Å; L513-V515 PolarHBondContact O-N 3.05Å; L513-Y572 WeakPolarHBondContact O-CE2 3.46Å; L513-Y572 PolarHBondContact O-OH 2.89Å
514	K	59.6	Low	43.8	Very low	45 Å²	45	85.1 Å²	85.1	20%	0.196	47%	0.467	C	S	.	.			trans	-73.9	94.2	170	-168.6	-173.4	-168.6	180	0	108	D490 E491 W493 L512 L516	D490-K514 WeakPolarHBondContact O-CD 3.08Å; D490-K514 IonicContact OD1-NZ 3.47Å; D490-K514 PolarHBondContact OD1-NZ 3.25Å; E491-K514 WeakPolarHBondContact O-CB 3.41Å; E491-K514 PolarHBondContact O-N 3.17Å; W493-K514 HydrophobicContact CD2-CB 4.47Å; W493-K514 HydrophobicContact CD2-CG 4.3Å; W493-K514 HydrophobicContact CH2-CG 4.45Å; W493-K514 HydrophobicContact CZ2-CD 4.05Å; W493-K514 HydrophobicContact CZ2-CG 3.7Å; L512-K514 PolarHBondContact O-N 2.9Å; K514-L516 HydrophobicContact CD-CD1 3.67Å; K514-L516 HydrophobicContact CD-CG 4.08Å; K514-L516 HydrophobicContact CG-CD1 4.26Å; K514-L516 HydrophobicContact CG-CG 4.22Å; K514-L516 PolarHBondContact O-N 2.82Å
515	V	55.3	Low	42.2	Very low	43 Å²	43	87 Å²	87	26%	0.261	49%	0.488	S	S	.	.			trans	-76.6	84	169.2	-175.2	0	0	0	0	107.5	F459 L513 I517	F459-V515 HydrophobicContact CE1-CG2 4.35Å; F459-V515 HydrophobicContact CE2-CG2 4.43Å; F459-V515 HydrophobicContact CZ-CG2 3.8Å; L513-V515 HydrophobicContact CD2-CG2 3.89Å; L513-V515 HydrophobicContact CG-CG2 4.05Å; L513-V515 PolarHBondContact O-N 3.05Å; V515-I517 PolarHBondContact O-N 3.43Å; V515-I517 VanDerWaalsContact O-N 3.08Å
516	L	40.3	Very low	40.7	Very low	111 Å²	111	95 Å²	95	58%	0.581	51%	0.514	S	S	*	.			trans	-68.8	100.9	171.7	-106.1	152.5	0	0	0	108.3	K514 S518	K514-L516 HydrophobicContact CD-CD1 3.67Å; K514-L516 HydrophobicContact CD-CG 4.08Å; K514-L516 HydrophobicContact CG-CD1 4.26Å; K514-L516 HydrophobicContact CG-CG 4.22Å; K514-L516 PolarHBondContact O-N 2.82Å; L516-S518 VanDerWaalsContact C-N 3.34Å; L516-S518 PolarHBondContact O-N 3.41Å; L516-S518 VanDerWaalsContact O-N 3.1Å
517	I	35.8	Very low	39.6	Very low	54 Å²	54	98.4 Å²	98.4	28%	0.277	52%	0.517	S	S	.	.			trans	-68.7	105.6	153.1	-55.6	168.2	0	0	0	104.4	V515 F519 I569 S571	V515-I517 PolarHBondContact O-N 3.43Å; V515-I517 VanDerWaalsContact O-N 3.08Å; I517-F519 VanDerWaalsContact C-N 3.3Å; I517-F519 PolarHBondContact O-N 3.05Å; I517-I569 WeakPolarHBondContact CD1-O 3.36Å; I517-S571 WeakPolarHBondContact CD1-OG 3.18Å
518	S	26.3	Very low	38.6	Very low	79 Å²	79	101 Å²	101	55%	0.552	54%	0.536	S	S	*	.			trans	-59.1	102.1	162.2	55.2	0	0	0	0	107	L516 L520	L516-S518 VanDerWaalsContact C-N 3.34Å; L516-S518 PolarHBondContact O-N 3.41Å; L516-S518 VanDerWaalsContact O-N 3.1Å; S518-L520 PolarHBondContact O-N 3.24Å
519	F	27	Very low	37.4	Very low	180 Å²	180	99.5 Å²	99.5	79%	0.789	54%	0.535	S	S	*	.			trans	-61.8	80.5	154.7	-80.4	-81.7	0	0	0	106.3	I517 N521	I517-F519 VanDerWaalsContact C-N 3.3Å; I517-F519 PolarHBondContact O-N 3.05Å; F519-N521 PolarHBondContact O-N 2.92Å
520	L	24.6	Very low	36.1	Very low	122 Å²	122	101.9 Å²	101.9	64%	0.639	55%	0.551	S	S	*	*			trans	-74.5	65.9	166.7	-78	166.3	0	0	0	108.1	S518 F522	S518-L520 PolarHBondContact O-N 3.24Å; L520-F522 HydrophobicContact CD2-CD2 3.44Å; L520-F522 VanDerWaalsContact CD2-CD2 3.44Å; L520-F522 HydrophobicContact CD2-CE2 3.99Å; L520-F522 HydrophobicContact CD2-CG 4.46Å; L520-F522 PolarHBondContact O-N 3.1Å
521	N	25	Very low	34.7	Very low	152 Å²	152	105.7 Å²	105.7	81%	0.813	58%	0.579	S	S	*	*			trans	-71.6	71	142.3	-86.8	-26.5	0	0	0	106.6	F519 G523	F519-N521 PolarHBondContact O-N 2.92Å; N521-G523 VanDerWaalsContact C-N 3.28Å; N521-G523 PolarHBondContact O-N 3.26Å
522	F	24	Very low	33.3	Very low	179 Å²	179	111.8 Å²	111.8	79%	0.785	61%	0.61	S	S	*	*			trans	-68.9	99.2	164.2	-127.5	-100.3	0	0	0	106.2	L520 S524	L520-F522 HydrophobicContact CD2-CD2 3.44Å; L520-F522 VanDerWaalsContact CD2-CD2 3.44Å; L520-F522 HydrophobicContact CD2-CE2 3.99Å; L520-F522 HydrophobicContact CD2-CG 4.46Å; L520-F522 PolarHBondContact O-N 3.1Å; F522-S524 VanDerWaalsContact C-N 3.29Å; F522-S524 PolarHBondContact O-N 2.97Å
523	G	24.9	Very low	32	Very low	68 Å²	68	121.9 Å²	121.9	70%	0.701	65%	0.653	S	S	*	*			trans	-53.1	96.3	168.7	0	0	0	0	0	109	N521 S525	N521-G523 VanDerWaalsContact C-N 3.28Å; N521-G523 PolarHBondContact O-N 3.26Å; G523-S525 PolarHBondContact O-N 3.4Å
524	S	26.9	Very low	30.6	Very low	102 Å²	102	128 Å²	128	71%	0.713	68%	0.68	S	S	*	*			trans	-70.7	92.2	161.8	-174.4	0	0	0	0	106.5	F522 R526	F522-S524 VanDerWaalsContact C-N 3.29Å; F522-S524 PolarHBondContact O-N 2.97Å; S524-R526 PolarHBondContact O-N 2.82Å
525	S	27.1	Very low	29	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	71%	0.713	S	S	*	*			trans	-36.4	100.5	159.6	-176.9	0	0	0	0	110.4	G523	G523-S525 PolarHBondContact O-N 3.4Å
526	R	27.8	Very low	27.6	Very low	221 Å²	221	136.4 Å²	136.4	83%	0.834	73%	0.731	S	S	*	*			trans	-136.9	94.4	158.5	-80.1	-169.2	175.2	178.9	-0.1	107.1	S524 P528	S524-R526 PolarHBondContact O-N 2.82Å; R526-P528 WeakPolarHBondContact O-CD 3.39Å
527	Q	25.3	Very low	27	Very low	183 Å²	183	136.6 Å²	136.6	86%	0.855	74%	0.742	S	S	*	*			trans	-47.9	142.2	161.7	-71.7	-179.1	-17.7	0	0	109.9
528	P	28.3	Very low	26.8	Very low	120 Å²	120	144 Å²	144	78%	0.779	77%	0.772	S	S	*	*			trans	-127	117	132.3	24.5	-7.6	0	0	0	109.3	R526	R526-P528 WeakPolarHBondContact O-CD 3.39Å
529	S	23.6	Very low	27	Very low	95 Å²	95	149.4 Å²	149.4	66%	0.664	79%	0.785	S	S	*	*			trans	-49.4	140.1	157.2	52.8	0	0	0	0	111.1
530	I	28.5	Very low	27.2	Very low	151 Å²	151	149.9 Å²	149.9	77%	0.774	79%	0.79	S	S	*	*				160.2	107.1	123.8	-80	158.2	0	0	0	110.3
531	S	27.1	Very low	27.5	Very low	101 Å²	101	151.5 Å²	151.5	71%	0.706	80%	0.799	S	S	*	*			trans	32.8	121.7	144.4	67.3	0	0	0	0	121.8
532	E	25.6	Very low	27.6	Very low	183 Å²	183	149 Å²	149	86%	0.855	79%	0.794	S	S	*	*			trans	1.9	126	133.5	-63.2	178.6	161	0	0	117.7
533	K	31.6	Very low	27.7	Very low	211 Å²	211	149 Å²	149	92%	0.917	80%	0.8	S	S	*	*				-164.4	135.3	128.9	-104.1	162.1	-166.6	-178.3	0	112.3
534	H	27.2	Very low	27.8	Very low	179 Å²	179	150.9 Å²	150.9	83%	0.829	80%	0.803	S	S	*	*			trans	-64.6	167.5	-179.1	-75	-96.5	0	0	0	115.4
535	F	26.2	Very low	27.8	Very low	203 Å²	203	157.5 Å²	157.5	89%	0.89	81%	0.812	S	S	*	*			trans	113.6	120.4	133.6	-124.7	-92.4	0	0	0	116.3
536	G	26	Very low	27.9	Very low	62 Å²	62	161 Å²	161	64%	0.639	81%	0.814	S	S	*	*			trans	-73.5	163.2	-179.1	0	0	0	0	0	114
537	S	28.4	Very low	28.2	Very low	115 Å²	115	153.9 Å²	153.9	80%	0.804	79%	0.789	S	S	*	*			trans	-179.5	140.5	137.2	43	0	0	0	0	110	K539	S537-K539 PolarHBondContact O-N 2.83Å
538	K	31.2	Very low	28.6	Very low	209 Å²	209	152 Å²	152	91%	0.909	79%	0.793	S	S	*	*			trans	-44.9	124.8	174.4	-66.7	170.5	174.1	174.5	0	111.9
539	K	30.8	Very low	29	Very low	192 Å²	192	152.2 Å²	152.2	84%	0.835	78%	0.782	S	S	*	*			trans	-141.8	118.4	151.9	-72.3	-166.4	-178.9	174.8	0	111.6	S537	S537-K539 PolarHBondContact O-N 2.83Å
540	Q	31.8	Very low	29.6	Very low	191 Å²	191	153 Å²	153	89%	0.893	78%	0.777	S	S	*	*			trans	-52.6	119.7	164.6	179.1	-167	-12.5	0	0	111.5
541	L	29.5	Very low	29.6	Very low	155 Å²	155	151.9 Å²	151.9	81%	0.812	77%	0.766	S	S	*	*			trans	-148.7	96	163.2	-72	176.6	0	0	0	107.1
542	S	27.2	Very low	29.7	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	76%	0.758	S	S	*	*				85.3	109.6	101.9	75.7	0	0	0	0	113.6
543	L	26.2	Very low	30.3	Very low	177 Å²	177	151.5 Å²	151.5	93%	0.927	76%	0.759	S	S	*	*			trans	-25.4	146.1	164.3	-73.5	110.8	0	0	0	116.7
544	S	26.6	Very low	30.4	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	75%	0.752	S	S	*	*			trans	100.4	115.5	170.9	-171	0	0	0	0	115.4
545	R	28.7	Very low	30.6	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	74%	0.741	S	S	*	*			trans	108.2	75.1	179.8	-65.5	177.7	-89.5	-175.4	-9.6	114.4
546	K	28.1	Very low	31	Very low	184 Å²	184	142.9 Å²	142.9	80%	0.8	72%	0.72	S	S	*	*			trans	-140.3	104.8	166.9	-72.1	-174.3	177.8	-176.6	0	109.1
547	F	33.6	Very low	31.4	Very low	70 Å²	70	146 Å²	146	31%	0.307	72%	0.718	S	S	.	*			trans	154.3	93.3	149.1	-74.3	-50.6	0	0	0	108.5	F549 M550	F547-F549 HydrophobicContact CB-CD1 3.77Å; F547-F549 HydrophobicContact CB-CE1 3.72Å; F547-F549 HydrophobicContact CB-CZ 4.45Å; F547-F549 AromaticContact CD1-CD1 3.82Å; F547-F549 HydrophobicContact CD1-CD1 3.82Å; F547-F549 AromaticContact CD1-CE1 3.28Å; F547-F549 HydrophobicContact CD1-CE1 3.28Å; F547-F549 HydrophobicContact CD1-CZ 4.28Å; F547-F549 HydrophobicContact CD2-CE1 4.24Å; F547-F549 AromaticContact CE1-CE1 3.93Å; F547-F549 HydrophobicContact CE1-CE1 3.93Å; F547-F549 HydrophobicContact CG-CD1 4Å; F547-F549 AromaticContact CG-CE1 3.47Å; F547-F549 HydrophobicContact CG-CE1 3.47Å; F547-F549 VanDerWaalsContact CG-CE1 3.47Å; F547-F549 HydrophobicContact CG-CZ 4.19Å; F547-F549 PolarHBondContact O-N 3.41Å; F547-M550 HydrophobicContact CB-CG 4.36Å; F547-M550 HydrophobicContact CB-SD 4.12Å; F547-M550 HydrophobicContact CD2-SD 4.03Å; F547-M550 HydrophobicContact CG-SD 4.46Å; F547-M550 PolarHBondContact O-N 3.2Å
548	P	33.5	Very low	31.6	Very low	145 Å²	145	147.3 Å²	147.3	94%	0.942	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-0.5	174.3	-17.8	31.1	0	0	0	114.4
549	F	37.8	Very low	31.7	Very low	123 Å²	123	143.4 Å²	143.4	54%	0.539	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	-2.9	176.6	80.8	-97.4	0	0	0	113.9	F547	F547-F549 HydrophobicContact CB-CD1 3.77Å; F547-F549 HydrophobicContact CB-CE1 3.72Å; F547-F549 HydrophobicContact CB-CZ 4.45Å; F547-F549 AromaticContact CD1-CD1 3.82Å; F547-F549 HydrophobicContact CD1-CD1 3.82Å; F547-F549 AromaticContact CD1-CE1 3.28Å; F547-F549 HydrophobicContact CD1-CE1 3.28Å; F547-F549 HydrophobicContact CD1-CZ 4.28Å; F547-F549 HydrophobicContact CD2-CE1 4.24Å; F547-F549 AromaticContact CE1-CE1 3.93Å; F547-F549 HydrophobicContact CE1-CE1 3.93Å; F547-F549 HydrophobicContact CG-CD1 4Å; F547-F549 AromaticContact CG-CE1 3.47Å; F547-F549 HydrophobicContact CG-CE1 3.47Å; F547-F549 VanDerWaalsContact CG-CE1 3.47Å; F547-F549 HydrophobicContact CG-CZ 4.19Å; F547-F549 PolarHBondContact O-N 3.41Å
550	M	35.3	Very low	32.1	Very low	113 Å²	113	140 Å²	140	56%	0.557	69%	0.686	S	S	*	*			trans	-105	77.3	176.1	-74.4	170.5	69.8	0	0	110.4	F547	F547-M550 HydrophobicContact CB-CG 4.36Å; F547-M550 HydrophobicContact CB-SD 4.12Å; F547-M550 HydrophobicContact CD2-SD 4.03Å; F547-M550 HydrophobicContact CG-SD 4.46Å; F547-M550 PolarHBondContact O-N 3.2Å
551	K	28.8	Very low	32.3	Very low	127 Å²	127	137.9 Å²	137.9	55%	0.552	68%	0.676	S	S	*	*			trans	-129.7	131.3	156.1	-81.1	-173	179	175.9	0	108.3	L556	K551-L556 HydrophobicContact CB-CD1 4.41Å
552	S	29.4	Very low	32.4	Very low	77 Å²	77	137.4 Å²	137.4	54%	0.538	68%	0.675	S	S	.	*			trans	-44	140	178.6	46.6	0	0	0	0	111.6	E554 R555	S552-E554 PolarHBondContact O-N 2.89Å; S552-R555 PolarHBondContact O-N 3.36Å; S552-R555 VanDerWaalsContact O-N 3.13Å
553	K	37.4	Very low	32.7	Very low	199 Å²	199	140 Å²	140	87%	0.865	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	0.9	178	-156	177.1	178.1	-177.2	0	115.5
554	E	34.5	Very low	33	Very low	165 Å²	165	143.1 Å²	143.1	77%	0.771	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-15.8	-174.8	-76.3	164.7	154.4	0	0	113.9	S552	S552-E554 PolarHBondContact O-N 2.89Å
555	R	31	Very low	33.6	Very low	160 Å²	160	144.9 Å²	144.9	60%	0.604	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-11.3	-176.3	-153.8	172.5	178.6	-177.6	1.2	115	S552	S552-R555 PolarHBondContact O-N 3.36Å; S552-R555 VanDerWaalsContact O-N 3.13Å
556	L	34.8	Very low	34.1	Very low	86 Å²	86	140.8 Å²	140.8	45%	0.45	67%	0.671	S	S	.	*	S	Bend	trans	-84.3	-18.5	171.5	-78.1	158.5	0	0	0	112.1	K551 I560	K551-L556 HydrophobicContact CB-CD1 4.41Å; L556-I560 HydrophobicContact CB-CD1 4.29Å; L556-I560 WeakPolarHBondContact O-CB 3.23Å; L556-I560 VanDerWaalsContact O-CD1 3.25Å; L556-I560 WeakPolarHBondContact O-CD1 3.07Å; L556-I560 WeakPolarHBondContact O-CG1 3.35Å; L556-I560 PolarHBondContact O-N 2.86Å
557	Q	34.1	Very low	35	Very low	129 Å²	129	138.9 Å²	138.9	60%	0.603	67%	0.67	S	S	*	*	H	α-helix	trans	-70	-33.5	179.4	-147.4	85.9	22.7	0	0	112	E561	Q557-E561 WeakPolarHBondContact O-CG 3.37Å
558	E	33.5	Very low	36	Very low	141 Å²	141	141.6 Å²	141.6	66%	0.659	68%	0.679	S	S	*	*	H	α-helix	trans	-88.1	-19.5	-176.3	-69.3	-179.2	162.2	0	0	114.7
559	E	32.7	Very low	37.5	Very low	127 Å²	127	139.3 Å²	139.3	59%	0.593	66%	0.658	S	S	*	*	H	α-helix	trans	-92.7	-20.4	177.1	-75.2	176.6	176.9	0	0	112.4
560	I	39.6	Very low	39.2	Very low	122 Å²	122	135.2 Å²	135.2	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-86.4	-20.9	178.1	-65.3	172.3	0	0	0	112	L556 N562	L556-I560 HydrophobicContact CB-CD1 4.29Å; L556-I560 WeakPolarHBondContact O-CB 3.23Å; L556-I560 VanDerWaalsContact O-CD1 3.25Å; L556-I560 WeakPolarHBondContact O-CD1 3.07Å; L556-I560 WeakPolarHBondContact O-CG1 3.35Å; L556-I560 PolarHBondContact O-N 2.86Å; I560-N562 PolarHBondContact O-N 2.92Å
561	E	35.6	Very low	41.4	Very low	146 Å²	146	130.7 Å²	130.7	68%	0.682	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-10.5	177.4	-79.6	176	178.5	0	0	114.3	Q557	Q557-E561 WeakPolarHBondContact O-CG 3.37Å
562	N	31.1	Very low	44.2	Very low	145 Å²	145	125.2 Å²	125.2	78%	0.775	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-1.4	-173.8	-79.9	-51.7	0	0	0	116	I560	I560-N562 PolarHBondContact O-N 2.92Å
563	E	34.2	Very low	47	Very low	154 Å²	154	123 Å²	123	72%	0.72	58%	0.578	S	S	*	*			trans	-110.5	88.6	166.7	-73.1	-171.9	169.3	0	0	108.5	L565	E563-L565 PolarHBondContact O-N 2.89Å
564	R	33.6	Very low	49.5	Very low	244 Å²	244	114.2 Å²	114.2	92%	0.921	54%	0.542	S	S	*	.			trans	-59.8	88.4	161.5	-86.2	179.5	159	171.4	-6.4	107.7	D566	R564-D566 PolarHBondContact O-N 3.08Å; R564-D566 VanDerWaalsContact O-N 3.11Å
565	L	38.3	Very low	52.2	Low	145 Å²	145	106.7 Å²	106.7	76%	0.759	51%	0.507	S	S	*	.			trans	-61.1	108.7	165.3	-78.2	156.2	0	0	0	106.3	E563	E563-L565 PolarHBondContact O-N 2.89Å
566	D	38.2	Very low	55.1	Low	154 Å²	154	103.5 Å²	103.5	82%	0.824	50%	0.499	S	S	*	.			trans	-40.1	139.4	175.5	-69.3	-48.3	0	0	0	111.4	R564 Y568	R564-D566 PolarHBondContact O-N 3.08Å; R564-D566 VanDerWaalsContact O-N 3.11Å; D566-Y568 PolarHBondContact O-N 3.5Å
567	D	48	Very low	57.7	Low	145 Å²	145	103.7 Å²	103.7	78%	0.775	50%	0.497	S	S	*	.			trans	-41.4	98.5	-172.5	-75.7	-36.6	0	0	0	112.5	I569	D567-I569 VanDerWaalsContact C-N 3.34Å; D567-I569 HydrophobicContact CB-CG1 4.24Å; D567-I569 PolarHBondContact O-N 3.03Å
568	Y	54.5	Low	60.4	Low	127 Å²	127	99.8 Å²	99.8	50%	0.498	48%	0.479	S	S	.	.			trans	-71.3	92.9	171.7	-175.7	-97.8	0	0	0	108	D566 L570	D566-Y568 PolarHBondContact O-N 3.5Å; Y568-L570 HydrophobicContact CD1-CD2 4.48Å; Y568-L570 HydrophobicContact CE1-CD2 3.87Å
569	I	64.9	Low	63.2	Low	97 Å²	97	101 Å²	101	50%	0.497	48%	0.479	S	S	.	.			trans	-84.9	126.1	179.7	-63.5	167.5	0	0	0	108.3	I517 D567 S571	I517-I569 WeakPolarHBondContact CD1-O 3.36Å; D567-I569 VanDerWaalsContact C-N 3.34Å; D567-I569 HydrophobicContact CB-CG1 4.24Å; D567-I569 PolarHBondContact O-N 3.03Å; I569-S571 PolarHBondContact O-N 3.07Å
570	L	74.3	Confident	66	Low	37 Å²	37	95.3 Å²	95.3	19%	0.194	45%	0.453	C	S	.	.			trans	-67.9	127.4	172.1	-65.5	172.3	0	0	0	109.9	L458 Y568	L458-L570 HydrophobicContact CB-CB 3.84Å; L458-L570 HydrophobicContact CD1-CD2 4.18Å; L458-L570 WeakPolarHBondContact O-CB 3.26Å; Y568-L570 HydrophobicContact CD1-CD2 4.48Å; Y568-L570 HydrophobicContact CE1-CD2 3.87Å
571	S	81.7	Confident	68.4	Low	18 Å²	18	96.5 Å²	96.5	13%	0.126	46%	0.46	C	S	.	.			trans	-124.7	-118	-179.3	66.6	0	0	0	0	111.8	L458 F459 I517 I569	L458-S571 VanDerWaalsContact CB-O 3.29Å; L458-S571 WeakPolarHBondContact CB-O 3.35Å; L458-S571 PolarHBondContact N-O 2.88Å; F459-S571 WeakPolarHBondContact CD1-O 3.37Å; I517-S571 WeakPolarHBondContact CD1-OG 3.18Å; I569-S571 PolarHBondContact O-N 3.07Å
572	Y	86.2	Confident	71.2	Confident	11 Å²	11	92.1 Å²	92.1	4%	0.043	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.5	177.7	-57.8	-68.6	0	0	0	109.8	V455 R456 F459 F476 L482 W493 L512 L513 L780	V455-Y572 HydrophobicContact CG2-CD1 3.99Å; V455-Y572 HydrophobicContact CG2-CG 4.26Å; R456-Y572 WeakPolarHBondContact O-CA 3.46Å; F459-Y572 HydrophobicContact CE1-CD1 4.16Å; F459-Y572 AromaticContact CE1-CE1 3.71Å; F459-Y572 HydrophobicContact CE1-CE1 3.71Å; F459-Y572 HydrophobicContact CE1-CE2 4.28Å; F459-Y572 AromaticContact CE1-CZ 3.78Å; F459-Y572 AromaticContact CZ-CE1 3.85Å; F459-Y572 HydrophobicContact CZ-CE1 3.85Å; F459-Y572 HydrophobicContact CZ-CE2 4.29Å; F459-Y572 AromaticContact CZ-CZ 3.61Å; F459-Y572 WeakPolarHBondContact CZ-OH 3.05Å; F476-Y572 HydrophobicContact CE2-CE1 4.19Å; F476-Y572 AromaticContact CZ-CE1 3.83Å; F476-Y572 HydrophobicContact CZ-CE1 3.83Å; F476-Y572 WeakPolarHBondContact CZ-OH 3.45Å; L482-Y572 HydrophobicContact CD1-CD1 4.43Å; L482-Y572 HydrophobicContact CD1-CE1 4.01Å; W493-Y572 AromaticContact CZ3-CD2 3.96Å; W493-Y572 HydrophobicContact CZ3-CD2 3.96Å; W493-Y572 HydrophobicContact CZ3-CE2 4.42Å; L512-Y572 HydrophobicContact CD1-CE1 3.83Å; L512-Y572 WeakPolarHBondContact CD1-OH 3.33Å; L512-Y572 HydrophobicContact CD2-CE1 4.3Å; L512-Y572 HydrophobicContact CG-CE1 4.32Å; L512-Y572 WeakPolarHBondContact CG-OH 3.44Å; L513-Y572 WeakPolarHBondContact O-CE2 3.46Å; L513-Y572 PolarHBondContact O-OH 2.89Å; Y572-L780 WeakPolarHBondContact O-CD1 3.4Å
573	L	87.9	Confident	74.2	Confident	30 Å²	30	87.7 Å²	87.7	16%	0.157	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.1	173.7	-176	66.3	0	0	0	108.9	V455 R456 L458 V575 P775	V455-L573 CarbonylContact C-O 3.46Å; V455-L573 VanDerWaalsContact CA-O 3.3Å; V455-L573 WeakPolarHBondContact CA-O 3.33Å; R456-L573 HydrophobicContact CB-CB 4.42Å; R456-L573 PolarHBondContact N-O 3.25Å; R456-L573 PolarHBondContact O-N 2.95Å; L458-L573 HydrophobicContact CD1-CB 3.99Å; L458-L573 HydrophobicContact CD2-CB 4.44Å; L458-L573 HydrophobicContact CG-CB 4.23Å; L573-V575 HydrophobicContact CG-CG1 4.42Å; L573-V575 PolarHBondContact O-N 3.25Å; L573-P775 HydrophobicContact CD1-CB 4.42Å; L573-P775 HydrophobicContact CD2-CB 4.22Å; L573-P775 HydrophobicContact CD2-CG 4.02Å; L573-P775 HydrophobicContact CG-CB 4.43Å
574	P	90.4	Very high	77.2	Confident	15 Å²	15	81 Å²	81	10%	0.097	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	135.6	173.3	23.2	-29.3	0	0	0	110.1	F454 S776 E778 L780	F454-P574 WeakPolarHBondContact O-CA 3.13Å; P574-S776 PolarHBondContact O-N 2.87Å; P574-E778 WeakPolarHBondContact CG-O 3.43Å; P574-L780 HydrophobicContact CB-CD2 4.3Å; P574-L780 HydrophobicContact CB-CG 4.12Å; P574-L780 HydrophobicContact CG-CD1 4.39Å; P574-L780 HydrophobicContact CG-CG 3.9Å
575	V	91.5	Very high	80.3	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154	-172.6	-70.2	0	0	0	0	112	F454 R456 I481 L573 W773 I774	F454-V575 HydrophobicContact CB-CG2 4Å; F454-V575 PolarHBondContact O-N 3.01Å; R456-V575 HydrophobicContact CB-CG1 3.96Å; R456-V575 HydrophobicContact CB-CG2 4.5Å; I481-V575 HydrophobicContact CD1-CG2 4.28Å; L573-V575 HydrophobicContact CG-CG1 4.42Å; L573-V575 PolarHBondContact O-N 3.25Å; V575-W773 HydrophobicContact CB-CB 4.4Å; V575-W773 HydrophobicContact CB-CE3 3.95Å; V575-W773 HydrophobicContact CG2-CD2 4.27Å; V575-W773 HydrophobicContact CG2-CE3 3.52Å; V575-W773 HydrophobicContact CG2-CZ3 4.05Å; V575-I774 CarbonylContact C-O 3.23Å; V575-I774 WeakPolarHBondContact CA-O 3.43Å; V575-I774 VanDerWaalsContact CB-O 3.26Å; V575-I774 WeakPolarHBondContact CB-O 3.21Å; V575-I774 WeakPolarHBondContact CG1-O 3.44Å
576	E	91.4	Very high	83.1	Confident	94 Å²	94	62.5 Å²	62.5	44%	0.439	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	157.6	172.8	63.4	-178.4	-173.9	0	0	111	W773 I774	E576-W773 WeakPolarHBondContact O-CA 3.46Å; E576-I774 HydrophobicContact CG-CD1 3.99Å; E576-I774 HydrophobicContact CG-CG1 3.77Å; E576-I774 PolarHBondContact N-O 2.73Å; E576-I774 PolarHBondContact O-N 2.9Å
577	Q	90.6	Very high	85.9	Confident	89 Å²	89	55.2 Å²	55.2	42%	0.416	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.2	175.9	-64.4	-163.5	-65.2	0	0	110.5	R498 V771 V772 W773	R498-Q577 VanDerWaalsContact NH1-CD 3.27Å; R498-Q577 VanDerWaalsContact NH1-OE1 3.14Å; R498-Q577 VanDerWaalsContact NH2-OE1 3.12Å; Q577-V771 HydrophobicContact CB-CG1 4.05Å; Q577-V771 HydrophobicContact CG-CG1 4.32Å; Q577-V772 CarbonylContact C-O 3.18Å; Q577-V772 WeakPolarHBondContact CA-O 3.35Å; Q577-W773 HydrophobicContact CG-CD2 3.88Å; Q577-W773 HydrophobicContact CG-CE3 3.73Å; Q577-W773 HydrophobicContact CG-CH2 3.36Å; Q577-W773 HydrophobicContact CG-CZ2 3.46Å; Q577-W773 VanDerWaalsContact CG-CZ2 3.46Å; Q577-W773 HydrophobicContact CG-CZ3 3.48Å; Q577-W773 VanDerWaalsContact CG-CZ3 3.48Å; Q577-W773 VanDerWaalsContact NE2-CZ2 3.3Å
578	Q	90.5	Very high	88.3	Confident	47 Å²	47	48.3 Å²	48.3	22%	0.22	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.5	172.5	-174.7	175.5	-5.5	0	0	110.3	L580 N690 V772 I774	Q578-L580 HydrophobicContact CG-CD2 4.16Å; Q578-N690 PolarHBondContact NE2-OD1 3.43Å; Q578-V772 HydrophobicContact CB-CG2 4.35Å; Q578-V772 PolarHBondContact N-O 2.87Å; Q578-V772 WeakPolarHBondContact O-CG2 3.31Å; Q578-V772 PolarHBondContact O-N 3.37Å; Q578-I774 HydrophobicContact CB-CD1 4.22Å; Q578-I774 HydrophobicContact CB-CG1 4.02Å; Q578-I774 HydrophobicContact CB-CG2 4.42Å
579	Y	92.3	Very high	90.2	Very high	166 Å²	166	42.7 Å²	42.7	65%	0.651	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.6	170.3	-171.4	-85.7	0	0	0	110	P770 V771	Y579-P770 CarbonylContact C-O 3.48Å; Y579-P770 WeakPolarHBondContact CA-O 3.33Å; Y579-P770 HydrophobicContact CD2-CB 4.23Å; Y579-P770 HydrophobicContact CE2-CB 3.69Å; Y579-P770 HydrophobicContact CE2-CG 4.22Å; Y579-V771 HydrophobicContact CD2-CG2 4.12Å
580	L	90.9	Very high	91.5	Very high	8 Å²	8	39 Å²	39	4%	0.042	19%	0.191	C	C	.	.			trans	-105.3	143.5	176	-54.3	-175	0	0	0	110.7	Q578 Y582 R584 F692 P770 V772	Q578-L580 HydrophobicContact CG-CD2 4.16Å; L580-Y582 HydrophobicContact CB-CD1 4.46Å; L580-Y582 HydrophobicContact CB-CE1 4.22Å; L580-Y582 HydrophobicContact CD1-CE1 4.47Å; L580-Y582 HydrophobicContact CD1-CE2 4.23Å; L580-Y582 HydrophobicContact CD2-CE1 3.96Å; L580-Y582 HydrophobicContact CG-CE1 4.44Å; L580-R584 HydrophobicContact CD1-CG 3.71Å; L580-F692 HydrophobicContact CD2-CD2 4.01Å; L580-P770 PolarHBondContact N-O 3.4Å; L580-V772 HydrophobicContact CD1-CB 4.3Å; L580-V772 HydrophobicContact CD1-CG1 3.62Å; L580-V772 HydrophobicContact CD1-CG2 3.68Å; L580-V772 HydrophobicContact CD2-CG2 4.03Å; L580-V772 HydrophobicContact CG-CG1 4.14Å; L580-V772 HydrophobicContact CG-CG2 3.69Å
581	N	91.1	Very high	92.1	Very high	148 Å²	148	37.4 Å²	37.4	79%	0.791	18%	0.183	S	C	*	.			trans	-113.5	21.5	178.2	65.7	-20.2	0	0	0	112.7
582	Y	93.4	Very high	92.4	Very high	54 Å²	54	38 Å²	38	21%	0.212	18%	0.184	C	C	.	.	S	Bend	trans	-141.1	157.1	-179.9	61.1	-94	0	0	0	110.7	L580 R584 N690 I691 F692	L580-Y582 HydrophobicContact CB-CD1 4.46Å; L580-Y582 HydrophobicContact CB-CE1 4.22Å; L580-Y582 HydrophobicContact CD1-CE1 4.47Å; L580-Y582 HydrophobicContact CD1-CE2 4.23Å; L580-Y582 HydrophobicContact CD2-CE1 3.96Å; L580-Y582 HydrophobicContact CG-CE1 4.44Å; Y582-R584 HydrophobicContact CE2-CG 4.32Å; Y582-N690 PolarHBondContact OH-O 3.32Å; Y582-I691 HydrophobicContact CE2-CG2 4.08Å; Y582-I691 VanDerWaalsContact OH-CA 3.32Å; Y582-I691 WeakPolarHBondContact OH-CA 3.29Å; Y582-F692 WeakPolarHBondContact OH-CD2 3.45Å; Y582-F692 PolarHBondContact OH-N 2.8Å
583	I	95.2	Very high	92.7	Very high	52 Å²	52	39.4 Å²	39.4	27%	0.267	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-76.6	125.9	172.4	-57.6	-58.6	0	0	0	109.7	A668 K672 H673	I583-A668 WeakPolarHBondContact O-CB 3.44Å; I583-K672 VanDerWaalsContact CG2-C 3.45Å; I583-K672 WeakPolarHBondContact CG2-O 3.38Å; I583-H673 HydrophobicContact CG2-CB 4.34Å; I583-H673 VanDerWaalsContact CG2-CE1 3.48Å; I583-H673 WeakPolarHBondContact CG2-CE1 3.46Å; I583-H673 WeakPolarHBondContact CG2-ND1 3.36Å
584	R	96.2	Very high	92.9	Very high	12 Å²	12	42 Å²	42	5%	0.045	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-70.8	136.1	-171.3	-62.1	172.9	68.1	-173.5	-1.3	111.5	L580 Y582 H673 F692 P693 I694 Q767	L580-R584 HydrophobicContact CD1-CG 3.71Å; Y582-R584 HydrophobicContact CE2-CG 4.32Å; R584-H673 PolarHBondContact O-ND1 2.96Å; R584-F692 PolarHBondContact NE-O 2.9Å; R584-F692 PolarHBondContact NH2-O 3.26Å; R584-P693 PolarHBondContact NH2-O 2.93Å; R584-I694 HydrophobicContact CB-CD1 4.18Å; R584-I694 HydrophobicContact CB-CG1 3.99Å; R584-Q767 WeakPolarHBondContact CD-O 3.48Å; R584-Q767 PolarHBondContact NH1-O 3.07Å
585	P	97.7	Very high	93	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.013	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-65	152.4	169.2	24.9	-30	0	0	0	111.2	V664 C674 L676 L686 I691 P693 I694	P585-V664 HydrophobicContact CB-CG1 3.9Å; P585-V664 HydrophobicContact CG-CG1 4.05Å; P585-C674 CarbonylContact C-O 3.55Å; P585-C674 VanDerWaalsContact CA-O 3.31Å; P585-C674 WeakPolarHBondContact CA-O 3.49Å; P585-C674 HydrophobicContact CB-CB 4.09Å; P585-L676 HydrophobicContact CB-CD1 3.92Å; P585-L676 HydrophobicContact CB-CG 4.5Å; P585-L686 HydrophobicContact CG-CD1 4.45Å; P585-I691 HydrophobicContact CG-CG2 3.64Å; P585-P693 HydrophobicContact CG-CB 4.03Å; P585-P693 CarbonylContact O-C 3.46Å; P585-P693 WeakPolarHBondContact O-CA 3.48Å; P585-I694 PolarHBondContact O-N 2.81Å
586	V	98.1	Very high	93.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.1	179.4	177.7	0	0	0	0	108.9	I588 F608 H673 C674 L676 I694 I764	V586-I588 HydrophobicContact CG1-CG1 4.13Å; V586-F608 HydrophobicContact CG2-CE1 4.42Å; V586-H673 HydrophobicContact CG2-CB 3.98Å; V586-C674 PolarHBondContact N-O 3.06Å; V586-L676 PolarHBondContact O-N 2.75Å; V586-I694 WeakPolarHBondContact CA-O 3.5Å; V586-I694 HydrophobicContact CG2-CB 4.35Å; V586-I694 HydrophobicContact CG2-CD1 4.38Å; V586-I764 HydrophobicContact CG1-CD1 3.86Å; V586-I764 HydrophobicContact CG1-CG1 4.12Å; V586-I764 HydrophobicContact CG2-CD1 4.24Å; V586-I764 HydrophobicContact CG2-CG1 4.18Å; V586-I764 HydrophobicContact CG2-CG2 4.19Å
587	V	97.8	Very high	93.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113	177	-174.9	0	0	0	0	108.1	L589 L676 V678 I683 P693 I694 A695 I696	V587-L589 HydrophobicContact CG1-CD1 4.46Å; V587-L589 HydrophobicContact CG1-CD2 4.32Å; V587-L589 HydrophobicContact CG1-CG 4.08Å; V587-L676 HydrophobicContact CG2-CB 4.17Å; V587-L676 HydrophobicContact CG2-CD1 4.1Å; V587-V678 HydrophobicContact CG1-CG2 3.96Å; V587-V678 HydrophobicContact CG2-CG2 4.35Å; V587-I683 HydrophobicContact CB-CG1 4.39Å; V587-I683 HydrophobicContact CG1-CD1 4.22Å; V587-I683 HydrophobicContact CG1-CG1 4.22Å; V587-I683 HydrophobicContact CG2-CG1 4.27Å; V587-P693 HydrophobicContact CG2-CB 3.88Å; V587-P693 HydrophobicContact CG2-CG 4.47Å; V587-I694 PolarHBondContact N-O 3.43Å; V587-A695 CarbonylContact O-C 3.54Å; V587-A695 WeakPolarHBondContact O-CA 3.33Å; V587-I696 PolarHBondContact O-N 2.82Å
588	I	96.6	Very high	93.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.7	174.5	-56	-178.3	0	0	0	108.8	V586 K593 L596 L600 I696 V698 V760	V586-I588 HydrophobicContact CG1-CG1 4.13Å; I588-K593 HydrophobicContact CB-CB 4.35Å; I588-K593 HydrophobicContact CG2-CB 3.92Å; I588-K593 WeakPolarHBondContact O-CB 3.33Å; I588-L596 HydrophobicContact CD1-CB 3.81Å; I588-L596 HydrophobicContact CG2-CB 4.5Å; I588-L596 HydrophobicContact CG2-CD1 3.97Å; I588-L600 HydrophobicContact CD1-CD1 3.74Å; I588-I696 WeakPolarHBondContact CA-O 3.19Å; I588-V698 HydrophobicContact CG2-CG2 4.28Å; I588-V760 HydrophobicContact CD1-CG1 3.77Å
589	L	95.3	Very high	93.8	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	157.6	-179.5	-67.6	167.2	0	0	0	110.2	V587 I683 I696 F697 V698 T733 F741	V587-L589 HydrophobicContact CG1-CD1 4.46Å; V587-L589 HydrophobicContact CG1-CD2 4.32Å; V587-L589 HydrophobicContact CG1-CG 4.08Å; L589-I683 HydrophobicContact CD1-CD1 3.69Å; L589-I696 PolarHBondContact N-O 2.76Å; L589-F697 HydrophobicContact CB-CD2 3.7Å; L589-F697 HydrophobicContact CB-CE2 4.39Å; L589-V698 PolarHBondContact O-N 2.9Å; L589-T733 HydrophobicContact CB-CG2 4.37Å; L589-T733 HydrophobicContact CD1-CG2 4.38Å; L589-F741 HydrophobicContact CD1-CD1 4.22Å; L589-F741 HydrophobicContact CD1-CE1 3.64Å
590	G	91.6	Very high	94	Very high	20 Å²	20	35.7 Å²	35.7	21%	0.206	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-148.5	178.1	0	0	0	0	0	113.5	V698	G590-V698 WeakPolarHBondContact CA-O 3.14Å
591	A	88.4	Confident	94.2	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	151.4	-176.3	0	0	0	0	0	112	K593 V698 P700 L711 W714 V726	A591-K593 PolarHBondContact O-N 2.6Å; A591-V698 HydrophobicContact CB-CG1 4.49Å; A591-V698 PolarHBondContact N-O 3.28Å; A591-V698 WeakPolarHBondContact O-CB 3.46Å; A591-P700 HydrophobicContact CB-CG 3.74Å; A591-L711 HydrophobicContact CB-CD2 3.77Å; A591-W714 HydrophobicContact CB-CE3 4.15Å; A591-W714 HydrophobicContact CB-CZ3 3.84Å; A591-V726 HydrophobicContact CB-CG1 4.13Å
592	L	87.7	Confident	94.5	Very high	30 Å²	30	34.3 Å²	34.3	16%	0.157	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	5.6	177.1	-57.4	172.6	0	0	0	116.3	D594 R595 L596 W714 I753 I756	L592-D594 PolarHBondContact O-N 2.92Å; L592-D594 VanDerWaalsContact O-N 3.11Å; L592-R595 PolarHBondContact O-N 3.33Å; L592-R595 VanDerWaalsContact O-N 3.14Å; L592-L596 HydrophobicContact CB-CD1 4.01Å; L592-L596 HydrophobicContact CB-CG 4.16Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 2.96Å; L592-W714 HydrophobicContact CD1-CB 3.87Å; L592-W714 HydrophobicContact CD1-CD2 4.01Å; L592-W714 HydrophobicContact CD1-CE3 3.75Å; L592-W714 HydrophobicContact CD1-CG 4.08Å; L592-W714 HydrophobicContact CD2-CB 4.09Å; L592-W714 HydrophobicContact CG-CB 4.31Å; L592-W714 HydrophobicContact CG-CE3 4.1Å; L592-I753 HydrophobicContact CD1-CB 4.48Å; L592-I753 HydrophobicContact CD1-CD1 3.78Å; L592-I753 HydrophobicContact CD1-CG1 3.75Å; L592-I753 HydrophobicContact CD2-CD1 4.06Å; L592-I753 HydrophobicContact CG-CD1 4.39Å; L592-I756 HydrophobicContact CD1-CD1 4.02Å
593	K	92.3	Very high	94.6	Very high	41 Å²	41	36.5 Å²	36.5	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-50.2	-42.5	-174.3	66.7	168.2	-167.4	126.2	0	113.6	I588 A591 L596 N597 D677	I588-K593 HydrophobicContact CB-CB 4.35Å; I588-K593 HydrophobicContact CG2-CB 3.92Å; I588-K593 WeakPolarHBondContact O-CB 3.33Å; A591-K593 PolarHBondContact O-N 2.6Å; K593-L596 PolarHBondContact O-N 3.4Å; K593-N597 WeakPolarHBondContact O-CB 3.39Å; K593-N597 PolarHBondContact O-N 3.48Å; K593-N597 PolarHBondContact O-ND2 3Å; K593-N597 PolarHBondContact O-OD1 3.16Å; K593-D677 IonicContact NZ-OD1 3.81Å; K593-D677 PolarHBondContact NZ-OD1 3.49Å
594	D	92.3	Very high	94.7	Very high	86 Å²	86	37.9 Å²	37.9	46%	0.46	20%	0.199	S	C	.	.	H	α-helix	trans	-67.7	-45.9	-174.4	-51.9	-40.9	0	0	0	110	L592 N597 D598	L592-D594 PolarHBondContact O-N 2.92Å; L592-D594 VanDerWaalsContact O-N 3.11Å; D594-N597 PolarHBondContact O-N 3.38Å; D594-D598 PolarHBondContact O-N 2.84Å
595	R	92	Very high	94.6	Very high	112 Å²	112	40.7 Å²	40.7	42%	0.423	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-42.2	176.4	-180	168.2	176.5	-168.4	-2.2	112.2	L592 N597 D598 D599 I753	L592-R595 PolarHBondContact O-N 3.33Å; L592-R595 VanDerWaalsContact O-N 3.14Å; R595-N597 VanDerWaalsContact C-N 3.34Å; R595-D598 PolarHBondContact O-N 2.96Å; R595-D599 WeakPolarHBondContact CG-OD2 3.38Å; R595-D599 IonicContact NE-OD2 2.85Å; R595-D599 VanDerWaalsContact O-CB 3.31Å; R595-D599 WeakPolarHBondContact O-CB 3.26Å; R595-D599 PolarHBondContact O-N 3.43Å; R595-I753 VanDerWaalsContact CD-CD1 3.44Å; R595-I753 HydrophobicContact CG-CD1 4.13Å
596	L	93.8	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-40.2	178.4	-67.3	167.8	0	0	0	111.4	I588 L592 K593 L600 V698 I756 Y757 V760	I588-L596 HydrophobicContact CD1-CB 3.81Å; I588-L596 HydrophobicContact CG2-CB 4.5Å; I588-L596 HydrophobicContact CG2-CD1 3.97Å; L592-L596 HydrophobicContact CB-CD1 4.01Å; L592-L596 HydrophobicContact CB-CG 4.16Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 2.96Å; K593-L596 PolarHBondContact O-N 3.4Å; L596-L600 WeakPolarHBondContact O-CB 3.3Å; L596-L600 VanDerWaalsContact O-CG 3.28Å; L596-L600 WeakPolarHBondContact O-CG 3.48Å; L596-L600 PolarHBondContact O-N 2.9Å; L596-V698 HydrophobicContact CD1-CG2 3.91Å; L596-I756 HydrophobicContact CD1-CG2 4.4Å; L596-Y757 HydrophobicContact CD2-CD2 3.75Å; L596-Y757 HydrophobicContact CD2-CG 4.36Å; L596-V760 HydrophobicContact CD1-CG2 4.22Å; L596-V760 HydrophobicContact CD2-CG2 4.46Å
597	N	96.4	Very high	94.5	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-50.7	174.6	-73.1	-11.3	0	0	0	110.9	K593 D594 R595 D599 L600 I601 V675	K593-N597 WeakPolarHBondContact O-CB 3.39Å; K593-N597 PolarHBondContact O-N 3.48Å; K593-N597 PolarHBondContact O-ND2 3Å; K593-N597 PolarHBondContact O-OD1 3.16Å; D594-N597 PolarHBondContact O-N 3.38Å; R595-N597 VanDerWaalsContact C-N 3.34Å; N597-D599 PolarHBondContact O-N 2.78Å; N597-L600 PolarHBondContact O-N 3.43Å; N597-I601 WeakPolarHBondContact O-CD1 3.2Å; N597-I601 WeakPolarHBondContact O-CG1 3.33Å; N597-I601 PolarHBondContact O-N 3.47Å; N597-I601 VanDerWaalsContact O-N 3.17Å; N597-V675 HydrophobicContact CB-CG1 3.8Å; N597-V675 WeakPolarHBondContact OD1-CG1 3.28Å
598	D	95.1	Very high	94.5	Very high	109 Å²	109	51.7 Å²	51.7	58%	0.583	28%	0.276	S	S	*	.	H	α-helix	trans	-59.4	-47	179	-71.5	-18.5	0	0	0	111.7	D594 R595 L600 I601 A602	D594-D598 PolarHBondContact O-N 2.84Å; R595-D598 PolarHBondContact O-N 2.96Å; D598-L600 PolarHBondContact O-N 3.45Å; D598-I601 PolarHBondContact O-N 3.42Å; D598-A602 VanDerWaalsContact O-CB 3.26Å; D598-A602 WeakPolarHBondContact O-CB 3.47Å; D598-A602 PolarHBondContact O-N 2.87Å
599	D	95.2	Very high	94.5	Very high	56 Å²	56	53.1 Å²	53.1	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-37.9	-179.3	-71.3	-17.7	0	0	0	111.3	R595 N597 E603 Y757	R595-D599 WeakPolarHBondContact CG-OD2 3.38Å; R595-D599 IonicContact NE-OD2 2.85Å; R595-D599 VanDerWaalsContact O-CB 3.31Å; R595-D599 WeakPolarHBondContact O-CB 3.26Å; R595-D599 PolarHBondContact O-N 3.43Å; N597-D599 PolarHBondContact O-N 2.78Å; D599-E603 WeakPolarHBondContact O-CB 3.44Å; D599-E603 PolarHBondContact O-N 3.45Å; D599-Y757 HydrophobicContact CB-CD2 4.23Å; D599-Y757 HydrophobicContact CB-CE2 3.63Å; D599-Y757 PolarHBondContact O-OH 2.99Å; D599-Y757 VanDerWaalsContact O-OH 3.04Å
600	L	96.5	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-46.9	175	-79.2	172.7	0	0	0	112.3	I588 L596 N597 D598 Y604 F608 Y757 V760 K761 I764	I588-L600 HydrophobicContact CD1-CD1 3.74Å; L596-L600 WeakPolarHBondContact O-CB 3.3Å; L596-L600 VanDerWaalsContact O-CG 3.28Å; L596-L600 WeakPolarHBondContact O-CG 3.48Å; L596-L600 PolarHBondContact O-N 2.9Å; N597-L600 PolarHBondContact O-N 3.43Å; D598-L600 PolarHBondContact O-N 3.45Å; L600-Y604 PolarHBondContact O-N 3.39Å; L600-Y604 VanDerWaalsContact O-N 3.13Å; L600-F608 HydrophobicContact CB-CG 4.48Å; L600-F608 HydrophobicContact CD2-CE1 4.42Å; L600-F608 HydrophobicContact CD2-CE2 4.26Å; L600-F608 HydrophobicContact CD2-CZ 4.09Å; L600-Y757 HydrophobicContact CD2-CE2 3.93Å; L600-Y757 HydrophobicContact CG-CE2 3.92Å; L600-V760 HydrophobicContact CD1-CG1 4.22Å; L600-K761 HydrophobicContact CD2-CG 3.96Å; L600-I764 HydrophobicContact CD1-CD1 3.75Å; L600-I764 HydrophobicContact CD2-CD1 4.12Å
601	I	96.3	Very high	94.8	Very high	45 Å²	45	56.3 Å²	56.3	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-40.9	-177.2	-63.7	156.3	0	0	0	110.7	N597 D598 F608 T610 V675	N597-I601 WeakPolarHBondContact O-CD1 3.2Å; N597-I601 WeakPolarHBondContact O-CG1 3.33Å; N597-I601 PolarHBondContact O-N 3.47Å; N597-I601 VanDerWaalsContact O-N 3.17Å; D598-I601 PolarHBondContact O-N 3.42Å; I601-F608 HydrophobicContact CG1-CB 4.46Å; I601-T610 HydrophobicContact CD1-CG2 3.45Å; I601-T610 VanDerWaalsContact CD1-CG2 3.45Å; I601-V675 HydrophobicContact CD1-CB 4.21Å; I601-V675 HydrophobicContact CD1-CG1 4.3Å; I601-V675 HydrophobicContact CG1-CB 4.31Å; I601-V675 HydrophobicContact CG1-CG2 4.18Å
602	A	96.4	Very high	95.1	Very high	82 Å²	82	57.8 Å²	57.8	68%	0.678	31%	0.311	S	S	*	.	H	α-helix	trans	-70.8	-39.8	-178.1	0	0	0	0	0	112.9	D598	D598-A602 VanDerWaalsContact O-CB 3.26Å; D598-A602 WeakPolarHBondContact O-CB 3.47Å; D598-A602 PolarHBondContact O-N 2.87Å
603	E	96	Very high	95.6	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-79.9	-31.7	-177.7	-167.3	175.2	139.7	0	0	112.3	D599 Y757 K761	D599-E603 WeakPolarHBondContact O-CB 3.44Å; D599-E603 PolarHBondContact O-N 3.45Å; E603-Y757 VanDerWaalsContact OE2-CE1 3.31Å; E603-Y757 WeakPolarHBondContact OE2-CE1 3.49Å; E603-Y757 PolarHBondContact OE2-OH 3.33Å; E603-K761 IonicContact OE1-NZ 3.4Å; E603-K761 PolarHBondContact OE1-NZ 3.11Å
604	Y	96	Very high	95.8	Very high	81 Å²	81	57.5 Å²	57.5	32%	0.318	31%	0.313	S	S	.	.			trans	-133.5	59.7	-173.4	-58.8	-78.6	0	0	0	113.4	L600 D606 N607 F608 K761	L600-Y604 PolarHBondContact O-N 3.39Å; L600-Y604 VanDerWaalsContact O-N 3.13Å; Y604-D606 PolarHBondContact O-N 2.96Å; Y604-D606 VanDerWaalsContact O-N 3.1Å; Y604-N607 PolarHBondContact O-N 3.18Å; Y604-F608 HydrophobicContact CD2-CE2 4.43Å; Y604-F608 HydrophobicContact CG-CE2 4.33Å; Y604-F608 WeakPolarHBondContact O-CD2 3.49Å; Y604-F608 PolarHBondContact O-N 3.29Å; Y604-K761 HydrophobicContact CD2-CD 4.39Å; Y604-K761 HydrophobicContact CE2-CD 3.48Å; Y604-K761 VanDerWaalsContact CE2-CD 3.48Å; Y604-K761 PolarHBondContact OH-NZ 2.84Å
605	P	95.9	Very high	96.1	Very high	70 Å²	70	53.4 Å²	53.4	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.9	-176.6	27.5	-36.8	0	0	0	114.1	K672	P605-K672 PolarHBondContact O-NZ 3.45Å
606	D	96.1	Very high	96.4	Very high	130 Å²	130	48.9 Å²	48.9	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-23.7	175.8	-67.9	-30.7	0	0	0	112.5	Y604 K672	Y604-D606 PolarHBondContact O-N 2.96Å; Y604-D606 VanDerWaalsContact O-N 3.1Å; D606-K672 WeakPolarHBondContact O-CE 3.39Å
607	N	96.5	Very high	96.5	Very high	86 Å²	86	50.1 Å²	50.1	46%	0.46	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-27.4	-177.4	-63.3	78.8	0	0	0	112.7	Y604 K672 H673	Y604-N607 PolarHBondContact O-N 3.18Å; N607-K672 CarbonylContact O-C 3.5Å; N607-K672 WeakPolarHBondContact O-CA 3.44Å; N607-H673 PolarHBondContact O-N 3.24Å
608	F	97.8	Very high	96.5	Very high	18 Å²	18	53.5 Å²	53.5	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.8	-173.7	-59.1	-88	0	0	0	111.3	V586 L600 I601 Y604 H673 V675 I764	V586-F608 HydrophobicContact CG2-CE1 4.42Å; L600-F608 HydrophobicContact CB-CG 4.48Å; L600-F608 HydrophobicContact CD2-CE1 4.42Å; L600-F608 HydrophobicContact CD2-CE2 4.26Å; L600-F608 HydrophobicContact CD2-CZ 4.09Å; I601-F608 HydrophobicContact CG1-CB 4.46Å; Y604-F608 HydrophobicContact CD2-CE2 4.43Å; Y604-F608 HydrophobicContact CG-CE2 4.33Å; Y604-F608 WeakPolarHBondContact O-CD2 3.49Å; Y604-F608 PolarHBondContact O-N 3.29Å; F608-H673 WeakPolarHBondContact CA-O 3.3Å; F608-H673 HydrophobicContact CD1-CB 3.54Å; F608-H673 HydrophobicContact CE1-CB 3.75Å; F608-H673 AromaticContact CE1-CD2 3.97Å; F608-H673 HydrophobicContact CG-CB 4.46Å; F608-V675 HydrophobicContact CB-CG2 3.96Å; F608-V675 HydrophobicContact CD1-CG2 3.68Å; F608-V675 HydrophobicContact CG-CG2 4.22Å; F608-I764 HydrophobicContact CE1-CD1 4.02Å; F608-I764 HydrophobicContact CE1-CG2 4.03Å; F608-I764 HydrophobicContact CZ-CD1 4.27Å; F608-I764 HydrophobicContact CZ-CG2 4.08Å
609	S	97	Very high	96.6	Very high	30 Å²	30	55.2 Å²	55.2	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.3	171.7	-173.4	0	0	0	0	110.1	H673 C674 V675	S609-H673 PolarHBondContact N-O 2.86Å; S609-C674 CarbonylContact O-C 3.49Å; S609-C674 VanDerWaalsContact O-CA 3.31Å; S609-C674 WeakPolarHBondContact O-CA 3.11Å; S609-V675 PolarHBondContact O-N 3.03Å
610	T	96.6	Very high	96.6	Very high	80 Å²	80	58.5 Å²	58.5	49%	0.491	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-82.5	156.6	162.9	54.7	0	0	0	0	110	I601	I601-T610 HydrophobicContact CD1-CG2 3.45Å; I601-T610 VanDerWaalsContact CD1-CG2 3.45Å
611	C	96	Very high	96.6	Very high	17 Å²	17	68 Å²	68	12%	0.115	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-87.7	156.6	167.1	58.5	0	0	0	0	111.6	P613 T659 A663 V667	C611-P613 WeakPolarHBondContact O-CD 3.27Å; C611-T659 WeakPolarHBondContact SG-CG2 3.5Å; C611-A663 HydrophobicContact CB-CB 4.06Å; C611-A663 VanDerWaalsContact CB-O 3.26Å; C611-A663 WeakPolarHBondContact CB-O 3.11Å; C611-V667 HydrophobicContact CB-CG2 3.99Å
612	V	96	Very high	96.5	Very high	33 Å²	33	72.3 Å²	72.3	20%	0.2	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-84.1	118.1	174.8	-179	0	0	0	0	109.8	R627 Y630 A663	V612-R627 WeakPolarHBondContact CG2-O 3.47Å; V612-Y630 HydrophobicContact CB-CD2 4.11Å; V612-Y630 HydrophobicContact CB-CE2 3.69Å; V612-Y630 HydrophobicContact CG1-CD2 3.83Å; V612-Y630 HydrophobicContact CG1-CE2 3.86Å; V612-Y630 WeakPolarHBondContact O-CD2 3.4Å; V612-A663 WeakPolarHBondContact O-CB 3.45Å
613	P	96.5	Very high	96.5	Very high	37 Å²	37	69 Å²	69	24%	0.24	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-75.7	163.4	179.2	30	-33.5	0	0	0	112.2	C611 Y629 Y630	C611-P613 WeakPolarHBondContact O-CD 3.27Å; P613-Y629 HydrophobicContact CB-CD1 4.22Å; P613-Y629 HydrophobicContact CB-CE1 4.27Å; P613-Y629 HydrophobicContact CG-CD1 3.62Å; P613-Y629 HydrophobicContact CG-CE1 3.53Å; P613-Y629 CarbonylContact O-C 3.54Å; P613-Y629 VanDerWaalsContact O-CA 3.22Å; P613-Y629 WeakPolarHBondContact O-CA 3.47Å; P613-Y630 PolarHBondContact O-N 3.43Å
614	H	97.8	Very high	96.5	Very high	28 Å²	28	67.2 Å²	67.2	13%	0.13	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	150.9	172.8	-65.3	48.7	0	0	0	110.8	Y630 V632 M637 F646 Y657 G658 S660	H614-Y630 CarbonylContact C-O 3.55Å; H614-Y630 WeakPolarHBondContact CA-O 3.42Å; H614-Y630 AromaticContact CE1-CD2 3.3Å; H614-Y630 WeakPolarHBondContact CE1-CD2 3.43Å; H614-Y630 AromaticContact CE1-CG 3.77Å; H614-Y630 AromaticContact ND1-CD2 3.61Å; H614-Y630 AromaticContact NE2-CD2 3.93Å; H614-Y630 AromaticContact NE2-CG 3.93Å; H614-V632 HydrophobicContact CB-CG2 4.27Å; H614-M637 HydrophobicContact CB-CE 3.93Å; H614-M637 HydrophobicContact CB-SD 4.5Å; H614-F646 HydrophobicContact CB-CE1 3.85Å; H614-F646 HydrophobicContact CB-CZ 3.83Å; H614-F646 AromaticContact CG-CZ 3.82Å; H614-Y657 WeakPolarHBondContact O-CA 3.31Å; H614-G658 PolarHBondContact N-O 2.93Å; H614-G658 PolarHBondContact O-N 3.25Å; H614-S660 PolarHBondContact CE1-OG 2.99Å
615	T	98.1	Very high	96.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147	169.9	-171.4	0	0	0	0	112.6	R617 Y629 Y630 F631 V632 L656 Y657	T615-R617 VanDerWaalsContact C-N 3.31Å; T615-R617 HydrophobicContact CG2-CB 4.18Å; T615-R617 WeakPolarHBondContact OG1-CB 3.37Å; T615-R617 PolarHBondContact OG1-N 2.8Å; T615-R617 VanDerWaalsContact OG1-N 3.12Å; T615-Y629 HydrophobicContact CG2-CD1 3.86Å; T615-Y629 HydrophobicContact CG2-CD2 4.34Å; T615-Y629 HydrophobicContact CG2-CG 3.68Å; T615-Y630 PolarHBondContact N-O 2.94Å; T615-F631 HydrophobicContact CG2-CD1 3.51Å; T615-F631 HydrophobicContact CG2-CE1 3.7Å; T615-F631 HydrophobicContact CG2-CG 4.44Å; T615-V632 WeakPolarHBondContact O-CG2 3.28Å; T615-V632 PolarHBondContact O-N 2.94Å; T615-L656 CarbonylContact C-O 3.52Å; T615-L656 WeakPolarHBondContact CA-O 3.4Å; T615-L656 PolarHBondContact OG1-O 3.26Å; T615-Y657 WeakPolarHBondContact OG1-CD1 3.43Å; T615-Y657 WeakPolarHBondContact OG1-CE1 3.45Å
616	S	97.8	Very high	96.5	Very high	17 Å²	17	65.9 Å²	65.9	12%	0.119	35%	0.348	C	S	.	.			trans	-85.3	-2.1	168.6	84.7	0	0	0	0	113.8	V632 N655 L656	S616-V632 WeakPolarHBondContact CA-O 3.4Å; S616-N655 WeakPolarHBondContact OG-CA 3.49Å; S616-L656 PolarHBondContact N-O 2.89Å; S616-L656 PolarHBondContact OG-N 3.33Å
617	R	97.2	Very high	96.3	Very high	25 Å²	25	66.5 Å²	66.5	9%	0.094	34%	0.341	C	S	.	.	S	Bend	trans	-71.6	143.8	179.6	-176.3	-176.4	53.4	89	-10.4	109.8	T615 R619 E623 F631 N655 Y657	T615-R617 VanDerWaalsContact C-N 3.31Å; T615-R617 HydrophobicContact CG2-CB 4.18Å; T615-R617 WeakPolarHBondContact OG1-CB 3.37Å; T615-R617 PolarHBondContact OG1-N 2.8Å; T615-R617 VanDerWaalsContact OG1-N 3.12Å; R617-R619 PolarHBondContact O-N 2.97Å; R617-E623 IonicContact CZ-OE1 3.32Å; R617-E623 IonicContact CZ-OE2 2.85Å; R617-E623 IonicContact NH1-OE1 2.82Å; R617-E623 IonicContact NH1-OE2 2.73Å; R617-E623 PolarHBondContact NH1-OE2 2.57Å; R617-E623 IonicContact NH2-OE1 3.14Å; R617-E623 PolarHBondContact NH2-OE1 3.06Å; R617-E623 IonicContact NH2-OE2 2.69Å; R617-E623 PolarHBondContact NH2-OE2 3.02Å; R617-F631 VanDerWaalsContact O-CD1 3.31Å; R617-F631 WeakPolarHBondContact O-CD1 3.31Å; R617-N655 WeakPolarHBondContact CA-OD1 3.42Å; R617-N655 HydrophobicContact CB-CB 3.9Å; R617-Y657 WeakPolarHBondContact CD-OH 3.46Å; R617-Y657 PolarHBondContact NE-OH 3.47Å
618	A	95.8	Very high	96.2	Very high	80 Å²	80	65 Å²	65	66%	0.661	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-59.5	136.3	169	0	0	0	0	0	111.8
619	R	97.1	Very high	96.2	Very high	144 Å²	144	67.3 Å²	67.3	54%	0.543	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-60.8	133.7	175.8	-175.2	175.1	74.4	110.3	-3.5	111.1	R617 E623 F631	R617-R619 PolarHBondContact O-N 2.97Å; R619-E623 WeakPolarHBondContact CD-O 3.48Å; R619-E623 HydrophobicContact CG-CB 3.97Å; R619-E623 PolarHBondContact NH1-O 2.9Å; R619-F631 HydrophobicContact CB-CD1 3.83Å; R619-F631 HydrophobicContact CB-CD2 3.88Å; R619-F631 HydrophobicContact CB-CE1 3.88Å; R619-F631 HydrophobicContact CB-CE2 3.96Å; R619-F631 HydrophobicContact CB-CG 3.82Å; R619-F631 HydrophobicContact CB-CZ 3.95Å; R619-F631 HydrophobicContact CG-CD1 4.46Å; R619-F631 HydrophobicContact CG-CD2 3.84Å; R619-F631 HydrophobicContact CG-CE1 4.19Å; R619-F631 HydrophobicContact CG-CE2 3.54Å; R619-F631 HydrophobicContact CG-CG 4.31Å; R619-F631 HydrophobicContact CG-CZ 3.72Å
620	R	96.2	Very high	96.2	Very high	125 Å²	125	69.2 Å²	69.2	47%	0.472	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-83.5	160.4	170.8	-66.2	162.9	-170.2	145.6	-8.6	110.7	H622 E623	R620-H622 PolarHBondContact O-N 3.4Å; R620-H622 VanDerWaalsContact O-N 3.16Å; R620-E623 HydrophobicContact CB-CG 4.07Å; R620-E623 WeakPolarHBondContact CB-OE2 3.45Å; R620-E623 IonicContact CZ-OE1 2.69Å; R620-E623 PolarHBondContact N-OE2 2.85Å; R620-E623 IonicContact NH1-OE1 2.64Å; R620-E623 PolarHBondContact NH1-OE1 2.83Å; R620-E623 PolarHBondContact O-N 3.29Å
621	E	94.8	Very high	96.3	Very high	200 Å²	200	67.3 Å²	67.3	94%	0.935	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.9	-176.1	-64.3	-179.3	170.6	0	0	114.4
622	H	95.2	Very high	96.3	Very high	136 Å²	136	68.2 Å²	68.2	63%	0.63	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.8	179.2	58.4	-90.1	0	0	0	114.1	R620	R620-H622 PolarHBondContact O-N 3.4Å; R620-H622 VanDerWaalsContact O-N 3.16Å
623	E	96.9	Very high	96.3	Very high	11 Å²	11	71 Å²	71	5%	0.051	35%	0.348	C	S	.	.			trans	-97	142.4	-176.9	-65.4	171	160.2	0	0	111.2	R617 R619 R620 D628 F631	R617-E623 IonicContact CZ-OE1 3.32Å; R617-E623 IonicContact CZ-OE2 2.85Å; R617-E623 IonicContact NH1-OE1 2.82Å; R617-E623 IonicContact NH1-OE2 2.73Å; R617-E623 PolarHBondContact NH1-OE2 2.57Å; R617-E623 IonicContact NH2-OE1 3.14Å; R617-E623 PolarHBondContact NH2-OE1 3.06Å; R617-E623 IonicContact NH2-OE2 2.69Å; R617-E623 PolarHBondContact NH2-OE2 3.02Å; R619-E623 WeakPolarHBondContact CD-O 3.48Å; R619-E623 HydrophobicContact CG-CB 3.97Å; R619-E623 PolarHBondContact NH1-O 2.9Å; R620-E623 HydrophobicContact CB-CG 4.07Å; R620-E623 WeakPolarHBondContact CB-OE2 3.45Å; R620-E623 IonicContact CZ-OE1 2.69Å; R620-E623 PolarHBondContact N-OE2 2.85Å; R620-E623 IonicContact NH1-OE1 2.64Å; R620-E623 PolarHBondContact NH1-OE1 2.83Å; R620-E623 PolarHBondContact O-N 3.29Å; E623-D628 VanDerWaalsContact CA-OD2 3.22Å; E623-D628 WeakPolarHBondContact CA-OD2 2.92Å; E623-D628 HydrophobicContact CB-CB 4.35Å; E623-D628 HydrophobicContact CG-CB 4.47Å; E623-F631 HydrophobicContact CB-CE2 4.23Å; E623-F631 HydrophobicContact CB-CZ 3.79Å; E623-F631 HydrophobicContact CG-CZ 4.45Å
624	V	96.1	Very high	96.3	Very high	64 Å²	64	73 Å²	73	39%	0.388	35%	0.351	S	S	.	.			trans	-113.5	124.9	-179.5	178.4	0	0	0	0	108.7	R627 D628	V624-R627 HydrophobicContact CB-CB 4.06Å; V624-R627 HydrophobicContact CG1-CB 4.11Å; V624-R627 PolarHBondContact O-N 3.06Å; V624-D628 PolarHBondContact N-OD2 3.43Å; V624-D628 PolarHBondContact O-N 2.96Å
625	D	96.6	Very high	96.3	Very high	92 Å²	92	77 Å²	77	49%	0.492	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-63.7	134.6	175.6	-172.4	47.9	0	0	0	110.6	R627 Y629 Y630 F631	D625-R627 PolarHBondContact O-N 2.88Å; D625-Y629 WeakPolarHBondContact CA-O 3.31Å; D625-Y630 WeakPolarHBondContact OD1-CA 3.48Å; D625-F631 HydrophobicContact CB-CD2 3.86Å; D625-F631 HydrophobicContact CB-CE2 4.47Å; D625-F631 WeakPolarHBondContact OD1-CD2 3.21Å; D625-F631 PolarHBondContact OD1-N 2.89Å
626	G	94	Very high	96.2	Very high	30 Å²	30	82.2 Å²	82.2	31%	0.309	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	0.8	-174.6	0	0	0	0	0	115.3	Y629	G626-Y629 PolarHBondContact N-O 2.9Å
627	R	93.3	Very high	96.1	Very high	144 Å²	144	81.4 Å²	81.4	54%	0.543	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-55.9	170.7	-174.3	-168.6	72.2	-163.5	-4.6	111.7	V612 V624 D625	V612-R627 WeakPolarHBondContact CG2-O 3.47Å; V624-R627 HydrophobicContact CB-CB 4.06Å; V624-R627 HydrophobicContact CG1-CB 4.11Å; V624-R627 PolarHBondContact O-N 3.06Å; D625-R627 PolarHBondContact O-N 2.88Å
628	D	94.2	Very high	96.1	Very high	53 Å²	53	82.3 Å²	82.3	28%	0.283	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-45.9	-176.2	-56.4	-51.5	0	0	0	110.2	E623 V624	E623-D628 VanDerWaalsContact CA-OD2 3.22Å; E623-D628 WeakPolarHBondContact CA-OD2 2.92Å; E623-D628 HydrophobicContact CB-CB 4.35Å; E623-D628 HydrophobicContact CG-CB 4.47Å; V624-D628 PolarHBondContact N-OD2 3.43Å; V624-D628 PolarHBondContact O-N 2.96Å
629	Y	97.3	Very high	96.2	Very high	68 Å²	68	83.9 Å²	83.9	27%	0.267	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-149.2	160	169.3	-67.8	-90	0	0	0	109.4	P613 T615 D625 G626 F631 Y657	P613-Y629 HydrophobicContact CB-CD1 4.22Å; P613-Y629 HydrophobicContact CB-CE1 4.27Å; P613-Y629 HydrophobicContact CG-CD1 3.62Å; P613-Y629 HydrophobicContact CG-CE1 3.53Å; P613-Y629 CarbonylContact O-C 3.54Å; P613-Y629 VanDerWaalsContact O-CA 3.22Å; P613-Y629 WeakPolarHBondContact O-CA 3.47Å; T615-Y629 HydrophobicContact CG2-CD1 3.86Å; T615-Y629 HydrophobicContact CG2-CD2 4.34Å; T615-Y629 HydrophobicContact CG2-CG 3.68Å; D625-Y629 WeakPolarHBondContact CA-O 3.31Å; G626-Y629 PolarHBondContact N-O 2.9Å; Y629-F631 HydrophobicContact CD2-CE1 4.31Å; Y629-F631 HydrophobicContact CD2-CZ 4.12Å; Y629-F631 HydrophobicContact CG-CE1 4.46Å; Y629-F631 HydrophobicContact CG-CZ 4.44Å; Y629-F631 WeakPolarHBondContact O-CD2 3.44Å; Y629-Y657 HydrophobicContact CD1-CD1 4.41Å; Y629-Y657 AromaticContact CE1-CD1 3.82Å; Y629-Y657 HydrophobicContact CE1-CD1 3.82Å; Y629-Y657 HydrophobicContact CE1-CE1 4.02Å
630	Y	97.2	Very high	96.1	Very high	69 Å²	69	79.1 Å²	79.1	27%	0.271	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	110.2	153.8	-66.5	-74.5	0	0	0	108.8	V612 P613 H614 T615 D625 V632	V612-Y630 HydrophobicContact CB-CD2 4.11Å; V612-Y630 HydrophobicContact CB-CE2 3.69Å; V612-Y630 HydrophobicContact CG1-CD2 3.83Å; V612-Y630 HydrophobicContact CG1-CE2 3.86Å; V612-Y630 WeakPolarHBondContact O-CD2 3.4Å; P613-Y630 PolarHBondContact O-N 3.43Å; H614-Y630 CarbonylContact C-O 3.55Å; H614-Y630 WeakPolarHBondContact CA-O 3.42Å; H614-Y630 AromaticContact CE1-CD2 3.3Å; H614-Y630 WeakPolarHBondContact CE1-CD2 3.43Å; H614-Y630 AromaticContact CE1-CG 3.77Å; H614-Y630 AromaticContact ND1-CD2 3.61Å; H614-Y630 AromaticContact NE2-CD2 3.93Å; H614-Y630 AromaticContact NE2-CG 3.93Å; T615-Y630 PolarHBondContact N-O 2.94Å; D625-Y630 WeakPolarHBondContact OD1-CA 3.48Å; Y630-V632 PolarHBondContact O-N 2.76Å
631	F	97.8	Very high	96	Very high	41 Å²	41	74.9 Å²	74.9	18%	0.18	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.7	-178.4	-63.3	-79.2	0	0	0	109.8	T615 R617 R619 E623 D625 Y629	T615-F631 HydrophobicContact CG2-CD1 3.51Å; T615-F631 HydrophobicContact CG2-CE1 3.7Å; T615-F631 HydrophobicContact CG2-CG 4.44Å; R617-F631 VanDerWaalsContact O-CD1 3.31Å; R617-F631 WeakPolarHBondContact O-CD1 3.31Å; R619-F631 HydrophobicContact CB-CD1 3.83Å; R619-F631 HydrophobicContact CB-CD2 3.88Å; R619-F631 HydrophobicContact CB-CE1 3.88Å; R619-F631 HydrophobicContact CB-CE2 3.96Å; R619-F631 HydrophobicContact CB-CG 3.82Å; R619-F631 HydrophobicContact CB-CZ 3.95Å; R619-F631 HydrophobicContact CG-CD1 4.46Å; R619-F631 HydrophobicContact CG-CD2 3.84Å; R619-F631 HydrophobicContact CG-CE1 4.19Å; R619-F631 HydrophobicContact CG-CE2 3.54Å; R619-F631 HydrophobicContact CG-CG 4.31Å; R619-F631 HydrophobicContact CG-CZ 3.72Å; E623-F631 HydrophobicContact CB-CE2 4.23Å; E623-F631 HydrophobicContact CB-CZ 3.79Å; E623-F631 HydrophobicContact CG-CZ 4.45Å; D625-F631 HydrophobicContact CB-CD2 3.86Å; D625-F631 HydrophobicContact CB-CE2 4.47Å; D625-F631 WeakPolarHBondContact OD1-CD2 3.21Å; D625-F631 PolarHBondContact OD1-N 2.89Å; Y629-F631 HydrophobicContact CD2-CE1 4.31Å; Y629-F631 HydrophobicContact CD2-CZ 4.12Å; Y629-F631 HydrophobicContact CG-CE1 4.46Å; Y629-F631 HydrophobicContact CG-CZ 4.44Å; Y629-F631 WeakPolarHBondContact O-CD2 3.44Å
632	V	96.6	Very high	96	Very high	36 Å²	36	70.6 Å²	70.6	22%	0.218	34%	0.344	C	S	.	.			trans	-113.9	155.5	-173.3	-68	0	0	0	0	112.1	H614 T615 S616 Y630 M637	H614-V632 HydrophobicContact CB-CG2 4.27Å; T615-V632 WeakPolarHBondContact O-CG2 3.28Å; T615-V632 PolarHBondContact O-N 2.94Å; S616-V632 WeakPolarHBondContact CA-O 3.4Å; Y630-V632 PolarHBondContact O-N 2.76Å; V632-M637 HydrophobicContact CG2-CB 3.82Å; V632-M637 HydrophobicContact CG2-CG 4.03Å; V632-M637 HydrophobicContact CG2-SD 3.76Å
633	N	96.1	Very high	96	Very high	92 Å²	92	68.6 Å²	68.6	49%	0.492	34%	0.338	S	S	.	.			trans	-65.6	139.9	172.3	-174.5	-62.5	0	0	0	109.9	D635 M636 M637	N633-D635 VanDerWaalsContact C-N 3.32Å; N633-D635 PolarHBondContact O-N 2.7Å; N633-D635 PolarHBondContact OD1-N 2.9Å; N633-M636 HydrophobicContact CB-CB 4.35Å; N633-M636 HydrophobicContact CB-CG 4.17Å; N633-M636 HydrophobicContact CB-SD 4.14Å; N633-M636 PolarHBondContact O-N 3.31Å; N633-M637 PolarHBondContact O-N 3.35Å
634	R	97.1	Very high	95.8	Very high	78 Å²	78	73.4 Å²	73.4	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-54.3	-45.6	179	-174.5	-176.5	170.8	88	13.1	112.6	M636 M637 E638 G654 L656	R634-M636 VanDerWaalsContact C-N 3.32Å; R634-M636 PolarHBondContact O-N 2.99Å; R634-M637 PolarHBondContact O-N 2.85Å; R634-E638 HydrophobicContact CG-CG 4.44Å; R634-E638 IonicContact CZ-OE1 2.74Å; R634-E638 IonicContact NE-OE1 3.53Å; R634-E638 PolarHBondContact NE-OE1 2.86Å; R634-E638 IonicContact NH2-OE1 2.94Å; R634-E638 PolarHBondContact NH2-OE1 3.35Å; R634-E638 WeakPolarHBondContact O-CG 3.47Å; R634-E638 PolarHBondContact O-N 3.04Å; R634-G654 PolarHBondContact NH1-O 2.96Å; R634-L656 HydrophobicContact CG-CD1 4.01Å; R634-L656 HydrophobicContact CG-CG 4.47Å
635	D	96.3	Very high	95.8	Very high	113 Å²	113	74.3 Å²	74.3	60%	0.604	36%	0.362	S	S	*	.	H	α-helix	trans	-64.9	-39.3	-177	-64.6	-22.5	0	0	0	111.2	N633 E638 Q639	N633-D635 VanDerWaalsContact C-N 3.32Å; N633-D635 PolarHBondContact O-N 2.7Å; N633-D635 PolarHBondContact OD1-N 2.9Å; D635-E638 PolarHBondContact O-N 3.06Å; D635-Q639 PolarHBondContact O-N 2.74Å
636	M	96	Very high	95.8	Very high	109 Å²	109	70.3 Å²	70.3	54%	0.537	34%	0.341	S	S	.	.	H	α-helix	trans	-64.6	-46.3	173.9	-69.2	178.7	63.3	0	0	111.1	N633 R634 E638 Q639 D640	N633-M636 HydrophobicContact CB-CB 4.35Å; N633-M636 HydrophobicContact CB-CG 4.17Å; N633-M636 HydrophobicContact CB-SD 4.14Å; N633-M636 PolarHBondContact O-N 3.31Å; R634-M636 VanDerWaalsContact C-N 3.32Å; R634-M636 PolarHBondContact O-N 2.99Å; M636-E638 VanDerWaalsContact C-N 3.32Å; M636-E638 PolarHBondContact O-N 2.89Å; M636-Q639 WeakPolarHBondContact O-CB 3.11Å; M636-Q639 PolarHBondContact O-N 2.85Å; M636-Q639 VanDerWaalsContact O-N 3.11Å; M636-D640 PolarHBondContact O-N 2.85Å
637	M	96.7	Very high	95.9	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-38.8	179.2	-166.5	171.4	-177.4	0	0	111.9	H614 V632 N633 R634 Q639 D640 I641 F646 L656 Y657	H614-M637 HydrophobicContact CB-CE 3.93Å; H614-M637 HydrophobicContact CB-SD 4.5Å; V632-M637 HydrophobicContact CG2-CB 3.82Å; V632-M637 HydrophobicContact CG2-CG 4.03Å; V632-M637 HydrophobicContact CG2-SD 3.76Å; N633-M637 PolarHBondContact O-N 3.35Å; R634-M637 PolarHBondContact O-N 2.85Å; M637-Q639 VanDerWaalsContact C-N 3.33Å; M637-Q639 PolarHBondContact O-N 2.81Å; M637-D640 PolarHBondContact O-N 3.27Å; M637-I641 HydrophobicContact CG-CD1 4.14Å; M637-I641 WeakPolarHBondContact O-CB 3.48Å; M637-I641 WeakPolarHBondContact O-CD1 3.47Å; M637-I641 WeakPolarHBondContact O-CG1 3.49Å; M637-I641 PolarHBondContact O-N 3.28Å; M637-F646 HydrophobicContact CE-CE1 3.87Å; M637-F646 HydrophobicContact CE-CZ 3.95Å; M637-F646 HydrophobicContact CG-CE2 4.39Å; M637-F646 HydrophobicContact CG-CZ 4.18Å; M637-L656 HydrophobicContact CB-CD1 4.29Å; M637-L656 HydrophobicContact CE-CB 3.99Å; M637-L656 HydrophobicContact CG-CB 4.32Å; M637-L656 HydrophobicContact CG-CD1 4.29Å; M637-L656 HydrophobicContact SD-CB 3.48Å; M637-L656 WeakPolarHBondContact SD-CB 3.13Å; M637-L656 HydrophobicContact SD-CD1 4.46Å; M637-Y657 VanDerWaalsContact CE-C 3.46Å
638	E	97	Very high	95.9	Very high	43 Å²	43	65.7 Å²	65.7	20%	0.201	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-39.1	173.4	-73.2	-175.9	-179.5	0	0	112.2	R634 D635 M636 Q642 L656	R634-E638 HydrophobicContact CG-CG 4.44Å; R634-E638 IonicContact CZ-OE1 2.74Å; R634-E638 IonicContact NE-OE1 3.53Å; R634-E638 PolarHBondContact NE-OE1 2.86Å; R634-E638 IonicContact NH2-OE1 2.94Å; R634-E638 PolarHBondContact NH2-OE1 3.35Å; R634-E638 WeakPolarHBondContact O-CG 3.47Å; R634-E638 PolarHBondContact O-N 3.04Å; D635-E638 PolarHBondContact O-N 3.06Å; M636-E638 VanDerWaalsContact C-N 3.32Å; M636-E638 PolarHBondContact O-N 2.89Å; E638-Q642 VanDerWaalsContact O-CG 3.26Å; E638-Q642 WeakPolarHBondContact O-CG 3.49Å; E638-Q642 PolarHBondContact O-N 2.88Å; E638-Q642 PolarHBondContact O-NE2 3.14Å; E638-L656 HydrophobicContact CG-CD1 3.56Å
639	Q	97	Very high	95.9	Very high	114 Å²	114	65.1 Å²	65.1	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-44.1	175	-174.6	172.9	17	0	0	111.6	D635 M636 M637 I641 Q642 N643	D635-Q639 PolarHBondContact O-N 2.74Å; M636-Q639 WeakPolarHBondContact O-CB 3.11Å; M636-Q639 PolarHBondContact O-N 2.85Å; M636-Q639 VanDerWaalsContact O-N 3.11Å; M637-Q639 VanDerWaalsContact C-N 3.33Å; M637-Q639 PolarHBondContact O-N 2.81Å; Q639-I641 VanDerWaalsContact C-N 3.35Å; Q639-I641 PolarHBondContact O-N 3.07Å; Q639-Q642 WeakPolarHBondContact O-CB 3.41Å; Q639-Q642 PolarHBondContact O-N 2.95Å; Q639-N643 WeakPolarHBondContact O-CB 3.33Å; Q639-N643 PolarHBondContact O-N 2.88Å; Q639-N643 PolarHBondContact O-ND2 3.13Å
640	D	96.8	Very high	95.6	Very high	43 Å²	43	63.7 Å²	63.7	23%	0.23	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-36	179.1	-69.4	-19.6	0	0	0	112.3	M636 M637 N643 H644 L645 F646	M636-D640 PolarHBondContact O-N 2.85Å; M637-D640 PolarHBondContact O-N 3.27Å; D640-N643 CarbonylContact O-C 3.58Å; D640-N643 PolarHBondContact O-N 3.48Å; D640-H644 PolarHBondContact O-N 2.73Å; D640-L645 HydrophobicContact CB-CB 4.32Å; D640-L645 HydrophobicContact CB-CD1 4.11Å; D640-L645 WeakPolarHBondContact O-CB 3.22Å; D640-L645 PolarHBondContact O-N 2.87Å; D640-F646 HydrophobicContact CB-CD2 4.13Å; D640-F646 HydrophobicContact CB-CE2 3.66Å
641	I	94.1	Very high	95.4	Very high	37 Å²	37	64.7 Å²	64.7	19%	0.19	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-44.1	171.3	-69.9	164.1	0	0	0	110.5	M637 Q639 N643 H644 F646 A649 L656	M637-I641 HydrophobicContact CG-CD1 4.14Å; M637-I641 WeakPolarHBondContact O-CB 3.48Å; M637-I641 WeakPolarHBondContact O-CD1 3.47Å; M637-I641 WeakPolarHBondContact O-CG1 3.49Å; M637-I641 PolarHBondContact O-N 3.28Å; Q639-I641 VanDerWaalsContact C-N 3.35Å; Q639-I641 PolarHBondContact O-N 3.07Å; I641-N643 VanDerWaalsContact C-N 3.29Å; I641-N643 PolarHBondContact O-N 2.69Å; I641-H644 PolarHBondContact O-N 3.31Å; I641-H644 VanDerWaalsContact O-N 3.15Å; I641-F646 HydrophobicContact CG1-CB 4.4Å; I641-F646 HydrophobicContact CG1-CD2 3.74Å; I641-F646 HydrophobicContact CG1-CE2 4.25Å; I641-F646 HydrophobicContact CG1-CG 4.07Å; I641-A649 HydrophobicContact CD1-CB 3.77Å; I641-A649 HydrophobicContact CG1-CB 3.94Å; I641-L656 HydrophobicContact CD1-CD1 4.27Å
642	Q	94.2	Very high	95.1	Very high	109 Å²	109	70 Å²	70	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-35.4	176.2	-73.9	170.4	42.3	0	0	112.1	E638 Q639 H644	E638-Q642 VanDerWaalsContact O-CG 3.26Å; E638-Q642 WeakPolarHBondContact O-CG 3.49Å; E638-Q642 PolarHBondContact O-N 2.88Å; E638-Q642 PolarHBondContact O-NE2 3.14Å; Q639-Q642 WeakPolarHBondContact O-CB 3.41Å; Q639-Q642 PolarHBondContact O-N 2.95Å; Q642-H644 PolarHBondContact O-N 2.93Å
643	N	94.9	Very high	94.9	Very high	94 Å²	94	74.1 Å²	74.1	50%	0.503	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	8.3	176.5	-66.8	-23.4	0	0	0	113.7	Q639 D640 I641 L645	Q639-N643 WeakPolarHBondContact O-CB 3.33Å; Q639-N643 PolarHBondContact O-N 2.88Å; Q639-N643 PolarHBondContact O-ND2 3.13Å; D640-N643 CarbonylContact O-C 3.58Å; D640-N643 PolarHBondContact O-N 3.48Å; I641-N643 VanDerWaalsContact C-N 3.29Å; I641-N643 PolarHBondContact O-N 2.69Å; N643-L645 VanDerWaalsContact C-N 3.26Å; N643-L645 HydrophobicContact CB-CD1 4.44Å; N643-L645 HydrophobicContact CB-CG 4.1Å; N643-L645 PolarHBondContact O-N 3.05Å
644	H	92.8	Very high	94.7	Very high	113 Å²	113	71.9 Å²	71.9	52%	0.523	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	31.5	178.3	-54.3	-38	0	0	0	114.4	D640 I641 Q642 F646 I661 R685	D640-H644 PolarHBondContact O-N 2.73Å; I641-H644 PolarHBondContact O-N 3.31Å; I641-H644 VanDerWaalsContact O-N 3.15Å; Q642-H644 PolarHBondContact O-N 2.93Å; H644-F646 VanDerWaalsContact C-N 3.28Å; H644-I661 VanDerWaalsContact O-CD1 3.3Å; H644-I661 WeakPolarHBondContact O-CD1 3.4Å; H644-R685 PolarHBondContact ND1-NH1 2.93Å
645	L	96.1	Very high	94.6	Very high	82 Å²	82	70.3 Å²	70.3	43%	0.429	37%	0.37	S	S	.	.			trans	-83.4	-4.2	177	-57.9	-176.2	0	0	0	113.4	D640 N643 S660 I661	D640-L645 HydrophobicContact CB-CB 4.32Å; D640-L645 HydrophobicContact CB-CD1 4.11Å; D640-L645 WeakPolarHBondContact O-CB 3.22Å; D640-L645 PolarHBondContact O-N 2.87Å; N643-L645 VanDerWaalsContact C-N 3.26Å; N643-L645 HydrophobicContact CB-CD1 4.44Å; N643-L645 HydrophobicContact CB-CG 4.1Å; N643-L645 PolarHBondContact O-N 3.05Å; L645-S660 CarbonylContact O-C 3.58Å; L645-S660 VanDerWaalsContact O-CA 3.3Å; L645-S660 WeakPolarHBondContact O-CA 3.44Å; L645-I661 PolarHBondContact O-N 3.16Å
646	F	96.6	Very high	94.7	Very high	9 Å²	9	65.4 Å²	65.4	4%	0.039	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.1	-179.7	-78.1	-94.5	0	0	0	111.8	H614 M637 D640 I641 H644 A649 T659	H614-F646 HydrophobicContact CB-CE1 3.85Å; H614-F646 HydrophobicContact CB-CZ 3.83Å; H614-F646 AromaticContact CG-CZ 3.82Å; M637-F646 HydrophobicContact CE-CE1 3.87Å; M637-F646 HydrophobicContact CE-CZ 3.95Å; M637-F646 HydrophobicContact CG-CE2 4.39Å; M637-F646 HydrophobicContact CG-CZ 4.18Å; D640-F646 HydrophobicContact CB-CD2 4.13Å; D640-F646 HydrophobicContact CB-CE2 3.66Å; I641-F646 HydrophobicContact CG1-CB 4.4Å; I641-F646 HydrophobicContact CG1-CD2 3.74Å; I641-F646 HydrophobicContact CG1-CE2 4.25Å; I641-F646 HydrophobicContact CG1-CG 4.07Å; H644-F646 VanDerWaalsContact C-N 3.28Å; F646-A649 HydrophobicContact CB-CB 4.35Å; F646-A649 HydrophobicContact CD1-CB 4.44Å; F646-T659 WeakPolarHBondContact CA-O 3.23Å; F646-T659 VanDerWaalsContact CD1-C 3.45Å; F646-T659 WeakPolarHBondContact CD1-O 3.16Å
647	I	95.4	Very high	94.7	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-32.2	173.1	64.5	170.4	0	0	0	111.3	T659 I661 V664 L676 V678 A682 R685 L686	I647-T659 HydrophobicContact CD1-CG2 3.79Å; I647-T659 HydrophobicContact CG1-CG2 3.95Å; I647-T659 WeakPolarHBondContact CG1-O 3.41Å; I647-T659 PolarHBondContact N-O 3.48Å; I647-I661 HydrophobicContact CG2-CG1 3.62Å; I647-V664 HydrophobicContact CD1-CG2 3.96Å; I647-L676 HydrophobicContact CD1-CD1 3.95Å; I647-L676 HydrophobicContact CD1-CD2 4.27Å; I647-V678 HydrophobicContact CD1-CG1 4.33Å; I647-A682 HydrophobicContact CB-CB 4.3Å; I647-A682 HydrophobicContact CD1-CB 4.32Å; I647-A682 HydrophobicContact CG1-CB 4.43Å; I647-R685 HydrophobicContact CB-CB 4.28Å; I647-R685 HydrophobicContact CG2-CB 4.44Å; I647-L686 HydrophobicContact CD1-CD1 4.48Å; I647-L686 HydrophobicContact CD1-CD2 4.43Å; I647-L686 HydrophobicContact CD1-CG 4.46Å; I647-L686 HydrophobicContact CG2-CD2 3.71Å; I647-L686 HydrophobicContact CG2-CG 3.89Å
648	E	93.5	Very high	94.6	Very high	70 Å²	70	62.9 Å²	62.9	33%	0.327	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	139.7	174.8	-164.7	171.8	88.9	0	0	108.7	G658 T659 V678 S679	E648-G658 CarbonylContact O-C 3.56Å; E648-G658 WeakPolarHBondContact O-CA 3.35Å; E648-T659 PolarHBondContact O-N 2.71Å; E648-V678 HydrophobicContact CB-CG1 4.44Å; E648-S679 WeakPolarHBondContact OE2-CB 3.37Å; E648-S679 PolarHBondContact OE2-N 2.9Å; E648-S679 PolarHBondContact OE2-OG 2.91Å
649	A	94.2	Very high	94.6	Very high	42 Å²	42	61.9 Å²	61.9	35%	0.347	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.4	174.8	0	0	0	0	0	110.4	I641 F646 Y657	I641-A649 HydrophobicContact CD1-CB 3.77Å; I641-A649 HydrophobicContact CG1-CB 3.94Å; F646-A649 HydrophobicContact CB-CB 4.35Å; F646-A649 HydrophobicContact CD1-CB 4.44Å; A649-Y657 CarbonylContact C-O 3.58Å; A649-Y657 VanDerWaalsContact CA-O 3.22Å; A649-Y657 WeakPolarHBondContact CA-O 3.45Å
650	G	90.8	Very high	94.6	Very high	37 Å²	37	57 Å²	57	38%	0.381	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	171.5	-179.4	0	0	0	0	0	112.1	L656 Y657	G650-L656 WeakPolarHBondContact O-CA 3.44Å; G650-Y657 PolarHBondContact N-O 2.98Å; G650-Y657 PolarHBondContact O-N 2.79Å
651	Q	94.1	Very high	94.6	Very high	91 Å²	91	55.9 Å²	55.9	43%	0.425	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.4	176.5	-170.1	175.1	22.5	0	0	110.1	G654 N655 L656	Q651-G654 PolarHBondContact NE2-O 3.32Å; Q651-N655 CarbonylContact C-O 3.55Å; Q651-N655 VanDerWaalsContact CA-O 3.32Å; Q651-N655 WeakPolarHBondContact CA-O 3.16Å; Q651-N655 WeakPolarHBondContact CG-O 3.49Å; Q651-L656 HydrophobicContact CB-CD2 4.11Å; Q651-L656 HydrophobicContact CG-CD2 4.23Å
652	Y	90	Very high	94.7	Very high	152 Å²	152	55.6 Å²	55.6	60%	0.596	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.7	175.4	-179.4	-106.7	0	0	0	110.3	G654 N655 Y657	Y652-G654 PolarHBondContact O-N 3.11Å; Y652-N655 PolarHBondContact N-O 2.9Å; Y652-N655 PolarHBondContact O-N 3.43Å; Y652-Y657 HydrophobicContact CD1-CE2 4.28Å
653	N	93	Very high	94.8	Very high	122 Å²	122	50.5 Å²	50.5	65%	0.652	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	47.2	-176.5	-68.1	-12.2	0	0	0	113	N655	N653-N655 PolarHBondContact O-N 3.17Å; N653-N655 VanDerWaalsContact O-N 3.14Å; N653-N655 PolarHBondContact O-ND2 3.45Å; N653-N655 VanDerWaalsContact O-ND2 3.11Å
654	G	91.7	Very high	95	Very high	46 Å²	46	46.1 Å²	46.1	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-15	179.5	0	0	0	0	0	115.4	R634 Q651 Y652	R634-G654 PolarHBondContact NH1-O 2.96Å; Q651-G654 PolarHBondContact NE2-O 3.32Å; Y652-G654 PolarHBondContact O-N 3.11Å
655	N	96.3	Very high	95.1	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	149.3	-178.6	-61.8	-72.4	0	0	0	111.6	S616 R617 Q651 Y652 N653 Y657	S616-N655 WeakPolarHBondContact OG-CA 3.49Å; R617-N655 WeakPolarHBondContact CA-OD1 3.42Å; R617-N655 HydrophobicContact CB-CB 3.9Å; Q651-N655 CarbonylContact C-O 3.55Å; Q651-N655 VanDerWaalsContact CA-O 3.32Å; Q651-N655 WeakPolarHBondContact CA-O 3.16Å; Q651-N655 WeakPolarHBondContact CG-O 3.49Å; Y652-N655 PolarHBondContact N-O 2.9Å; Y652-N655 PolarHBondContact O-N 3.43Å; N653-N655 PolarHBondContact O-N 3.17Å; N653-N655 VanDerWaalsContact O-N 3.14Å; N653-N655 PolarHBondContact O-ND2 3.45Å; N653-N655 VanDerWaalsContact O-ND2 3.11Å; N655-Y657 HydrophobicContact CB-CE2 3.89Å
656	L	96.7	Very high	95.1	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.6	174.3	-58.8	178.1	0	0	0	110.3	T615 S616 R634 M637 E638 I641 G650 Q651	T615-L656 CarbonylContact C-O 3.52Å; T615-L656 WeakPolarHBondContact CA-O 3.4Å; T615-L656 PolarHBondContact OG1-O 3.26Å; S616-L656 PolarHBondContact N-O 2.89Å; S616-L656 PolarHBondContact OG-N 3.33Å; R634-L656 HydrophobicContact CG-CD1 4.01Å; R634-L656 HydrophobicContact CG-CG 4.47Å; M637-L656 HydrophobicContact CB-CD1 4.29Å; M637-L656 HydrophobicContact CE-CB 3.99Å; M637-L656 HydrophobicContact CG-CB 4.32Å; M637-L656 HydrophobicContact CG-CD1 4.29Å; M637-L656 HydrophobicContact SD-CB 3.48Å; M637-L656 WeakPolarHBondContact SD-CB 3.13Å; M637-L656 HydrophobicContact SD-CD1 4.46Å; E638-L656 HydrophobicContact CG-CD1 3.56Å; I641-L656 HydrophobicContact CD1-CD1 4.27Å; G650-L656 WeakPolarHBondContact O-CA 3.44Å; Q651-L656 HydrophobicContact CB-CD2 4.11Å; Q651-L656 HydrophobicContact CG-CD2 4.23Å
657	Y	96.5	Very high	95.1	Very high	50 Å²	50	45.2 Å²	45.2	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.9	173.3	-65	-95.1	0	0	0	108.4	H614 T615 R617 Y629 M637 A649 G650 Y652 N655	H614-Y657 WeakPolarHBondContact O-CA 3.31Å; T615-Y657 WeakPolarHBondContact OG1-CD1 3.43Å; T615-Y657 WeakPolarHBondContact OG1-CE1 3.45Å; R617-Y657 WeakPolarHBondContact CD-OH 3.46Å; R617-Y657 PolarHBondContact NE-OH 3.47Å; Y629-Y657 HydrophobicContact CD1-CD1 4.41Å; Y629-Y657 AromaticContact CE1-CD1 3.82Å; Y629-Y657 HydrophobicContact CE1-CD1 3.82Å; Y629-Y657 HydrophobicContact CE1-CE1 4.02Å; M637-Y657 VanDerWaalsContact CE-C 3.46Å; A649-Y657 CarbonylContact C-O 3.58Å; A649-Y657 VanDerWaalsContact CA-O 3.22Å; A649-Y657 WeakPolarHBondContact CA-O 3.45Å; G650-Y657 PolarHBondContact N-O 2.98Å; G650-Y657 PolarHBondContact O-N 2.79Å; Y652-Y657 HydrophobicContact CD1-CE2 4.28Å; N655-Y657 HydrophobicContact CB-CE2 3.89Å
658	G	95.4	Very high	95	Very high	7 Å²	7	45.5 Å²	45.5	7%	0.072	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	162.5	176.3	0	0	0	0	0	113.9	H614 E648	H614-G658 PolarHBondContact N-O 2.93Å; H614-G658 PolarHBondContact O-N 3.25Å; E648-G658 CarbonylContact O-C 3.56Å; E648-G658 WeakPolarHBondContact O-CA 3.35Å
659	T	96.4	Very high	95	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.135	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.7	175.7	-58.6	0	0	0	0	108.9	C611 F646 I647 E648 V664 L676	C611-T659 WeakPolarHBondContact SG-CG2 3.5Å; F646-T659 WeakPolarHBondContact CA-O 3.23Å; F646-T659 VanDerWaalsContact CD1-C 3.45Å; F646-T659 WeakPolarHBondContact CD1-O 3.16Å; I647-T659 HydrophobicContact CD1-CG2 3.79Å; I647-T659 HydrophobicContact CG1-CG2 3.95Å; I647-T659 WeakPolarHBondContact CG1-O 3.41Å; I647-T659 PolarHBondContact N-O 3.48Å; E648-T659 PolarHBondContact O-N 2.71Å; T659-V664 HydrophobicContact CG2-CG2 4.02Å; T659-L676 HydrophobicContact CG2-CD2 4.34Å
660	S	97.1	Very high	95.1	Very high	11 Å²	11	52.5 Å²	52.5	8%	0.077	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	154	179.5	72.2	0	0	0	0	111.2	H614 L645 G662 A663 V664	H614-S660 PolarHBondContact CE1-OG 2.99Å; L645-S660 CarbonylContact O-C 3.58Å; L645-S660 VanDerWaalsContact O-CA 3.3Å; L645-S660 WeakPolarHBondContact O-CA 3.44Å; S660-G662 PolarHBondContact O-N 3.35Å; S660-A663 PolarHBondContact O-N 3.49Å; S660-A663 WeakPolarHBondContact OG-CB 3.46Å; S660-A663 PolarHBondContact OG-N 2.97Å; S660-A663 VanDerWaalsContact OG-N 3.09Å; S660-V664 PolarHBondContact O-N 3.29Å
661	I	96.8	Very high	95.3	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-37.4	172.1	-65.9	164.7	0	0	0	110.2	H644 L645 I647 V664 R665 A689 I691	H644-I661 VanDerWaalsContact O-CD1 3.3Å; H644-I661 WeakPolarHBondContact O-CD1 3.4Å; L645-I661 PolarHBondContact O-N 3.16Å; I647-I661 HydrophobicContact CG2-CG1 3.62Å; I661-V664 PolarHBondContact O-N 2.97Å; I661-R665 PolarHBondContact O-N 3.32Å; I661-R665 VanDerWaalsContact O-N 3.13Å; I661-A689 HydrophobicContact CD1-CB 3.69Å; I661-A689 HydrophobicContact CG1-CB 4.26Å; I661-A689 HydrophobicContact CG2-CB 4.13Å; I661-I691 HydrophobicContact CG2-CD1 3.73Å
662	G	96.5	Very high	95.4	Very high	31 Å²	31	54.8 Å²	54.8	32%	0.32	28%	0.283	S	S	.	.	H	α-helix	trans	-58.4	-50.3	176.1	0	0	0	0	0	112.2	S660 V664 R665 D666	S660-G662 PolarHBondContact O-N 3.35Å; G662-V664 PolarHBondContact O-N 3.45Å; G662-V664 VanDerWaalsContact O-N 3.14Å; G662-R665 WeakPolarHBondContact O-CA 3.39Å; G662-R665 WeakPolarHBondContact O-CB 3.46Å; G662-R665 PolarHBondContact O-N 3.4Å; G662-D666 VanDerWaalsContact O-CG 3.23Å; G662-D666 PolarHBondContact O-N 3.4Å
663	A	97	Very high	95.8	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-29.9	-179.9	0	0	0	0	0	113.2	C611 V612 S660	C611-A663 HydrophobicContact CB-CB 4.06Å; C611-A663 VanDerWaalsContact CB-O 3.26Å; C611-A663 WeakPolarHBondContact CB-O 3.11Å; V612-A663 WeakPolarHBondContact O-CB 3.45Å; S660-A663 PolarHBondContact O-N 3.49Å; S660-A663 WeakPolarHBondContact OG-CB 3.46Å; S660-A663 PolarHBondContact OG-N 2.97Å; S660-A663 VanDerWaalsContact OG-N 3.09Å
664	V	97.4	Very high	96.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-71.7	-41.4	173	-177.4	0	0	0	0	111.4	P585 I647 T659 S660 I661 G662 V667 A668 C674 L676 L686	P585-V664 HydrophobicContact CB-CG1 3.9Å; P585-V664 HydrophobicContact CG-CG1 4.05Å; I647-V664 HydrophobicContact CD1-CG2 3.96Å; T659-V664 HydrophobicContact CG2-CG2 4.02Å; S660-V664 PolarHBondContact O-N 3.29Å; I661-V664 PolarHBondContact O-N 2.97Å; G662-V664 PolarHBondContact O-N 3.45Å; G662-V664 VanDerWaalsContact O-N 3.14Å; V664-V667 PolarHBondContact O-N 2.98Å; V664-A668 PolarHBondContact O-N 3.06Å; V664-C674 HydrophobicContact CG1-CB 4.16Å; V664-L676 HydrophobicContact CG1-CD1 4.45Å; V664-L676 HydrophobicContact CG2-CD1 4.37Å; V664-L676 HydrophobicContact CG2-CD2 3.96Å; V664-L686 HydrophobicContact CG1-CD2 4.29Å
665	R	96	Very high	96.4	Very high	119 Å²	119	40.9 Å²	40.9	45%	0.449	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-40.6	177.3	-71.7	-178.8	-179.6	151	2.8	112.1	I661 G662 V667 A668 E669 A689 I691	I661-R665 PolarHBondContact O-N 3.32Å; I661-R665 VanDerWaalsContact O-N 3.13Å; G662-R665 WeakPolarHBondContact O-CA 3.39Å; G662-R665 WeakPolarHBondContact O-CB 3.46Å; G662-R665 PolarHBondContact O-N 3.4Å; R665-V667 PolarHBondContact O-N 3.01Å; R665-A668 CarbonylContact O-C 3.5Å; R665-A668 WeakPolarHBondContact O-CA 3.25Å; R665-A668 WeakPolarHBondContact O-CB 3.46Å; R665-A668 PolarHBondContact O-N 3.39Å; R665-E669 WeakPolarHBondContact O-CG 3.48Å; R665-E669 PolarHBondContact O-N 3.46Å; R665-A689 PolarHBondContact NH2-O 3Å; R665-I691 HydrophobicContact CG-CD1 3.9Å
666	D	95.7	Very high	96.4	Very high	60 Å²	60	39 Å²	39	32%	0.321	20%	0.198	S	C	.	.	H	α-helix	trans	-57.2	-34.6	179.5	-61.7	-17.5	0	0	0	112.1	G662 Q670	G662-D666 VanDerWaalsContact O-CG 3.23Å; G662-D666 PolarHBondContact O-N 3.4Å; D666-Q670 WeakPolarHBondContact O-CG 3.49Å; D666-Q670 PolarHBondContact O-N 3.11Å; D666-Q670 PolarHBondContact O-NE2 3.11Å
667	V	96.8	Very high	96.3	Very high	6 Å²	6	43 Å²	43	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-73.9	-40	175.2	177.6	0	0	0	0	111.5	C611 V664 R665 E669 Q670 K672 C674	C611-V667 HydrophobicContact CB-CG2 3.99Å; V664-V667 PolarHBondContact O-N 2.98Å; R665-V667 PolarHBondContact O-N 3.01Å; V667-E669 VanDerWaalsContact C-N 3.3Å; V667-E669 PolarHBondContact O-N 2.83Å; V667-Q670 WeakPolarHBondContact O-CB 3.24Å; V667-Q670 PolarHBondContact O-N 2.95Å; V667-Q670 VanDerWaalsContact O-N 3.14Å; V667-K672 HydrophobicContact CG1-CB 4.04Å; V667-K672 PolarHBondContact O-N 2.93Å; V667-C674 HydrophobicContact CB-CB 3.84Å; V667-C674 HydrophobicContact CG1-CB 3.7Å; V667-C674 HydrophobicContact CG2-CB 4.42Å
668	A	93.9	Very high	96.1	Very high	12 Å²	12	41.1 Å²	41.1	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-36.5	176.3	0	0	0	0	0	111.9	I583 V664 R665 Q670 N671	I583-A668 WeakPolarHBondContact O-CB 3.44Å; V664-A668 PolarHBondContact O-N 3.06Å; R665-A668 CarbonylContact O-C 3.5Å; R665-A668 WeakPolarHBondContact O-CA 3.25Å; R665-A668 WeakPolarHBondContact O-CB 3.46Å; R665-A668 PolarHBondContact O-N 3.39Å; A668-Q670 PolarHBondContact O-N 3.14Å; A668-N671 WeakPolarHBondContact O-CA 3.26Å; A668-N671 PolarHBondContact O-N 2.97Å
669	E	93.5	Very high	95.9	Very high	145 Å²	145	42.9 Å²	42.9	68%	0.678	22%	0.224	S	C	*	.	H	α-helix	trans	-66	-24	174.8	-71.9	177.5	-173.9	0	0	112.9	R665 V667 N671	R665-E669 WeakPolarHBondContact O-CG 3.48Å; R665-E669 PolarHBondContact O-N 3.46Å; V667-E669 VanDerWaalsContact C-N 3.3Å; V667-E669 PolarHBondContact O-N 2.83Å; E669-N671 PolarHBondContact O-N 3.17Å
670	Q	94.9	Very high	95.7	Very high	113 Å²	113	42 Å²	42	53%	0.528	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	8.4	170.7	-65.6	166.5	49.3	0	0	112.9	D666 V667 A668 K672	D666-Q670 WeakPolarHBondContact O-CG 3.49Å; D666-Q670 PolarHBondContact O-N 3.11Å; D666-Q670 PolarHBondContact O-NE2 3.11Å; V667-Q670 WeakPolarHBondContact O-CB 3.24Å; V667-Q670 PolarHBondContact O-N 2.95Å; V667-Q670 VanDerWaalsContact O-N 3.14Å; A668-Q670 PolarHBondContact O-N 3.14Å; Q670-K672 VanDerWaalsContact C-N 3.29Å; Q670-K672 PolarHBondContact O-N 2.97Å
671	N	95	Very high	95.5	Very high	128 Å²	128	45.8 Å²	45.8	68%	0.684	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	35	-174.7	-62.4	-59.9	0	0	0	113.8	A668 E669	A668-N671 WeakPolarHBondContact O-CA 3.26Å; A668-N671 PolarHBondContact O-N 2.97Å; E669-N671 PolarHBondContact O-N 3.17Å
672	K	97.4	Very high	95.4	Very high	49 Å²	49	44.9 Å²	44.9	21%	0.213	23%	0.234	C	C	.	.			trans	-121.8	150.9	178.3	-62.2	-171.7	-178.1	-169.9	0	111.9	I583 P605 D606 N607 V667 Q670 C674	I583-K672 VanDerWaalsContact CG2-C 3.45Å; I583-K672 WeakPolarHBondContact CG2-O 3.38Å; P605-K672 PolarHBondContact O-NZ 3.45Å; D606-K672 WeakPolarHBondContact O-CE 3.39Å; N607-K672 CarbonylContact O-C 3.5Å; N607-K672 WeakPolarHBondContact O-CA 3.44Å; V667-K672 HydrophobicContact CG1-CB 4.04Å; V667-K672 PolarHBondContact O-N 2.93Å; Q670-K672 VanDerWaalsContact C-N 3.29Å; Q670-K672 PolarHBondContact O-N 2.97Å; K672-C674 PolarHBondContact O-N 3.33Å
673	H	98	Very high	95.3	Very high	21 Å²	21	43.4 Å²	43.4	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	122	166.5	-69	-76.1	0	0	0	109.6	I583 R584 V586 N607 F608 S609 V675 S768	I583-H673 HydrophobicContact CG2-CB 4.34Å; I583-H673 VanDerWaalsContact CG2-CE1 3.48Å; I583-H673 WeakPolarHBondContact CG2-CE1 3.46Å; I583-H673 WeakPolarHBondContact CG2-ND1 3.36Å; R584-H673 PolarHBondContact O-ND1 2.96Å; V586-H673 HydrophobicContact CG2-CB 3.98Å; N607-H673 PolarHBondContact O-N 3.24Å; F608-H673 WeakPolarHBondContact CA-O 3.3Å; F608-H673 HydrophobicContact CD1-CB 3.54Å; F608-H673 HydrophobicContact CE1-CB 3.75Å; F608-H673 AromaticContact CE1-CD2 3.97Å; F608-H673 HydrophobicContact CG-CB 4.46Å; S609-H673 PolarHBondContact N-O 2.86Å; H673-V675 PolarHBondContact O-N 3.48Å; H673-S768 PolarHBondContact CE1-OG 3.11Å; H673-S768 PolarHBondContact NE2-OG 3.46Å
674	C	98.2	Very high	95.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.6	171.1	-170.8	0	0	0	0	109.9	P585 V586 S609 V664 V667 K672	P585-C674 CarbonylContact C-O 3.55Å; P585-C674 VanDerWaalsContact CA-O 3.31Å; P585-C674 WeakPolarHBondContact CA-O 3.49Å; P585-C674 HydrophobicContact CB-CB 4.09Å; V586-C674 PolarHBondContact N-O 3.06Å; S609-C674 CarbonylContact O-C 3.49Å; S609-C674 VanDerWaalsContact O-CA 3.31Å; S609-C674 WeakPolarHBondContact O-CA 3.11Å; V664-C674 HydrophobicContact CG1-CB 4.16Å; V667-C674 HydrophobicContact CB-CB 3.84Å; V667-C674 HydrophobicContact CG1-CB 3.7Å; V667-C674 HydrophobicContact CG2-CB 4.42Å; K672-C674 PolarHBondContact O-N 3.33Å
675	V	98	Very high	95	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.5	175.8	-179.1	0	0	0	0	108.5	N597 I601 F608 S609 H673	N597-V675 HydrophobicContact CB-CG1 3.8Å; N597-V675 WeakPolarHBondContact OD1-CG1 3.28Å; I601-V675 HydrophobicContact CD1-CB 4.21Å; I601-V675 HydrophobicContact CD1-CG1 4.3Å; I601-V675 HydrophobicContact CG1-CB 4.31Å; I601-V675 HydrophobicContact CG1-CG2 4.18Å; F608-V675 HydrophobicContact CB-CG2 3.96Å; F608-V675 HydrophobicContact CD1-CG2 3.68Å; F608-V675 HydrophobicContact CG-CG2 4.22Å; S609-V675 PolarHBondContact O-N 3.03Å; H673-V675 PolarHBondContact O-N 3.48Å
676	L	97.2	Very high	95	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.8	-173.2	-64.6	173.6	0	0	0	111.5	P585 V586 V587 I647 T659 V664 V678 L686	P585-L676 HydrophobicContact CB-CD1 3.92Å; P585-L676 HydrophobicContact CB-CG 4.5Å; V586-L676 PolarHBondContact O-N 2.75Å; V587-L676 HydrophobicContact CG2-CB 4.17Å; V587-L676 HydrophobicContact CG2-CD1 4.1Å; I647-L676 HydrophobicContact CD1-CD1 3.95Å; I647-L676 HydrophobicContact CD1-CD2 4.27Å; T659-L676 HydrophobicContact CG2-CD2 4.34Å; V664-L676 HydrophobicContact CG1-CD1 4.45Å; V664-L676 HydrophobicContact CG2-CD1 4.37Å; V664-L676 HydrophobicContact CG2-CD2 3.96Å; L676-V678 HydrophobicContact CB-CG1 4.33Å; L676-V678 HydrophobicContact CB-CG2 3.83Å; L676-V678 PolarHBondContact O-N 3Å; L676-L686 HydrophobicContact CD1-CD1 3.8Å
677	D	94	Very high	94.8	Very high	96 Å²	96	45.4 Å²	45.4	51%	0.513	23%	0.226	S	C	.	.			trans	-91.3	81.8	168.3	-174.6	26.4	0	0	0	110.5	K593	K593-D677 IonicContact NZ-OD1 3.81Å; K593-D677 PolarHBondContact NZ-OD1 3.49Å
678	V	93	Very high	94.6	Very high	9 Å²	9	52 Å²	52	6%	0.055	26%	0.26	C	S	.	.			trans	-138.1	167.1	-173	-66.3	0	0	0	0	111.6	V587 I647 E648 L676 A682	V587-V678 HydrophobicContact CG1-CG2 3.96Å; V587-V678 HydrophobicContact CG2-CG2 4.35Å; I647-V678 HydrophobicContact CD1-CG1 4.33Å; E648-V678 HydrophobicContact CB-CG1 4.44Å; L676-V678 HydrophobicContact CB-CG1 4.33Å; L676-V678 HydrophobicContact CB-CG2 3.83Å; L676-V678 PolarHBondContact O-N 3Å; V678-A682 HydrophobicContact CB-CB 3.61Å; V678-A682 HydrophobicContact CG1-CB 4.19Å; V678-A682 HydrophobicContact CG2-CB 3.45Å; V678-A682 VanDerWaalsContact CG2-CB 3.45Å
679	S	91	Very high	94.6	Very high	45 Å²	45	52.5 Å²	52.5	32%	0.315	26%	0.264	S	S	.	.			trans	-77.8	167.5	171	66.9	0	0	0	0	113	E648 N681 A682	E648-S679 WeakPolarHBondContact OE2-CB 3.37Å; E648-S679 PolarHBondContact OE2-N 2.9Å; E648-S679 PolarHBondContact OE2-OG 2.91Å; S679-N681 PolarHBondContact O-N 3.36Å; S679-N681 VanDerWaalsContact O-N 3.11Å; S679-A682 WeakPolarHBondContact O-CB 3.37Å; S679-A682 PolarHBondContact O-N 3.4Å
680	G	91.6	Very high	94.6	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-24	175.2	0	0	0	0	0	114.1	A682 I683	G680-A682 PolarHBondContact O-N 3Å; G680-I683 WeakPolarHBondContact O-CB 3.49Å; G680-I683 PolarHBondContact O-N 3.46Å; G680-I683 VanDerWaalsContact O-N 3.09Å
681	N	93.1	Very high	94.6	Very high	91 Å²	91	45 Å²	45	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-32.5	175.1	-72.8	-51.6	0	0	0	113	S679 I683 K684 R685	S679-N681 PolarHBondContact O-N 3.36Å; S679-N681 VanDerWaalsContact O-N 3.11Å; N681-I683 VanDerWaalsContact C-N 3.25Å; N681-I683 PolarHBondContact O-N 2.87Å; N681-K684 PolarHBondContact O-N 2.84Å; N681-R685 PolarHBondContact O-N 2.91Å; N681-R685 VanDerWaalsContact O-N 3.14Å
682	A	95	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-30.3	177.3	0	0	0	0	0	111.9	I647 V678 S679 G680 R685 L686	I647-A682 HydrophobicContact CB-CB 4.3Å; I647-A682 HydrophobicContact CD1-CB 4.32Å; I647-A682 HydrophobicContact CG1-CB 4.43Å; V678-A682 HydrophobicContact CB-CB 3.61Å; V678-A682 HydrophobicContact CG1-CB 4.19Å; V678-A682 HydrophobicContact CG2-CB 3.45Å; V678-A682 VanDerWaalsContact CG2-CB 3.45Å; S679-A682 WeakPolarHBondContact O-CB 3.37Å; S679-A682 PolarHBondContact O-N 3.4Å; G680-A682 PolarHBondContact O-N 3Å; A682-R685 PolarHBondContact O-N 3.37Å; A682-L686 WeakPolarHBondContact O-CB 3.21Å; A682-L686 VanDerWaalsContact O-CG 3.28Å; A682-L686 WeakPolarHBondContact O-CG 3.41Å; A682-L686 PolarHBondContact O-N 3.49Å
683	I	95.1	Very high	94.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-47.7	175.3	-61.8	166.1	0	0	0	110.2	V587 L589 G680 N681 R685 L686 Q687 P693 A695 C740	V587-I683 HydrophobicContact CB-CG1 4.39Å; V587-I683 HydrophobicContact CG1-CD1 4.22Å; V587-I683 HydrophobicContact CG1-CG1 4.22Å; V587-I683 HydrophobicContact CG2-CG1 4.27Å; L589-I683 HydrophobicContact CD1-CD1 3.69Å; G680-I683 WeakPolarHBondContact O-CB 3.49Å; G680-I683 PolarHBondContact O-N 3.46Å; G680-I683 VanDerWaalsContact O-N 3.09Å; N681-I683 VanDerWaalsContact C-N 3.25Å; N681-I683 PolarHBondContact O-N 2.87Å; I683-R685 VanDerWaalsContact C-N 3.33Å; I683-R685 PolarHBondContact O-N 3.16Å; I683-L686 PolarHBondContact O-N 2.87Å; I683-Q687 HydrophobicContact CG2-CG 4.47Å; I683-Q687 WeakPolarHBondContact O-CG 3.4Å; I683-Q687 PolarHBondContact O-N 3.17Å; I683-P693 HydrophobicContact CB-CG 4.33Å; I683-P693 HydrophobicContact CG1-CG 4.21Å; I683-P693 HydrophobicContact CG2-CG 3.79Å; I683-A695 HydrophobicContact CD1-CB 3.62Å; I683-A695 HydrophobicContact CG1-CB 4.39Å; I683-C740 HydrophobicContact CD1-CB 4.38Å; I683-C740 HydrophobicContact CG2-CB 3.96Å
684	K	92.5	Very high	94.4	Very high	81 Å²	81	36.8 Å²	36.8	35%	0.352	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-41.2	177.4	-66	179.9	177.7	169.9	0	111.3	N681 Q687 L688 E736 F737	N681-K684 PolarHBondContact O-N 2.84Å; K684-Q687 PolarHBondContact O-N 3.47Å; K684-L688 WeakPolarHBondContact O-CG 3.43Å; K684-L688 PolarHBondContact O-N 2.94Å; K684-E736 PolarHBondContact NZ-O 2.94Å; K684-F737 HydrophobicContact CD-CE1 4.41Å
685	R	94.3	Very high	94.4	Very high	90 Å²	90	36.7 Å²	36.7	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-64.4	-41	175.5	-72.3	-67.2	-145.4	179.8	5.6	113.1	H644 I647 N681 A682 I683 L688 A689	H644-R685 PolarHBondContact ND1-NH1 2.93Å; I647-R685 HydrophobicContact CB-CB 4.28Å; I647-R685 HydrophobicContact CG2-CB 4.44Å; N681-R685 PolarHBondContact O-N 2.91Å; N681-R685 VanDerWaalsContact O-N 3.14Å; A682-R685 PolarHBondContact O-N 3.37Å; I683-R685 VanDerWaalsContact C-N 3.33Å; I683-R685 PolarHBondContact O-N 3.16Å; R685-L688 PolarHBondContact O-N 2.89Å; R685-A689 PolarHBondContact O-N 2.75Å
686	L	95.7	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-46.2	175.1	-76.1	166.1	0	0	0	111	P585 I647 V664 L676 A682 I683 L688 A689 N690 I691 P693	P585-L686 HydrophobicContact CG-CD1 4.45Å; I647-L686 HydrophobicContact CD1-CD1 4.48Å; I647-L686 HydrophobicContact CD1-CD2 4.43Å; I647-L686 HydrophobicContact CD1-CG 4.46Å; I647-L686 HydrophobicContact CG2-CD2 3.71Å; I647-L686 HydrophobicContact CG2-CG 3.89Å; V664-L686 HydrophobicContact CG1-CD2 4.29Å; L676-L686 HydrophobicContact CD1-CD1 3.8Å; A682-L686 WeakPolarHBondContact O-CB 3.21Å; A682-L686 VanDerWaalsContact O-CG 3.28Å; A682-L686 WeakPolarHBondContact O-CG 3.41Å; A682-L686 PolarHBondContact O-N 3.49Å; I683-L686 PolarHBondContact O-N 2.87Å; L686-L688 VanDerWaalsContact C-N 3.35Å; L686-L688 PolarHBondContact O-N 3.49Å; L686-A689 CarbonylContact O-C 3.59Å; L686-A689 WeakPolarHBondContact O-CA 3.23Å; L686-A689 WeakPolarHBondContact O-CB 3.37Å; L686-A689 PolarHBondContact O-N 3.36Å; L686-N690 PolarHBondContact O-N 3.1Å; L686-I691 CarbonylContact C-O 3.49Å; L686-I691 HydrophobicContact CB-CB 4.26Å; L686-I691 WeakPolarHBondContact CB-O 3.31Å; L686-I691 HydrophobicContact CD2-CB 4Å; L686-I691 HydrophobicContact CD2-CD1 4.18Å; L686-I691 HydrophobicContact CD2-CG2 3.89Å; L686-I691 PolarHBondContact O-N 3.34Å; L686-P693 HydrophobicContact CD1-CB 4.21Å; L686-P693 HydrophobicContact CD1-CG 4.04Å
687	Q	93.3	Very high	94.1	Very high	55 Å²	55	36.3 Å²	36.3	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-60.1	-42.6	178	-71.8	170.5	-18.3	0	0	112	I683 K684 A689 N690 I691 F692	I683-Q687 HydrophobicContact CG2-CG 4.47Å; I683-Q687 WeakPolarHBondContact O-CG 3.4Å; I683-Q687 PolarHBondContact O-N 3.17Å; K684-Q687 PolarHBondContact O-N 3.47Å; Q687-A689 PolarHBondContact O-N 3.01Å; Q687-N690 WeakPolarHBondContact O-CA 3.43Å; Q687-N690 PolarHBondContact O-N 2.99Å; Q687-I691 PolarHBondContact N-O 3.34Å; Q687-F692 HydrophobicContact CB-CE1 4.44Å; Q687-F692 HydrophobicContact CG-CD1 4.02Å; Q687-F692 HydrophobicContact CG-CE1 4.29Å
688	L	92	Very high	94	Very high	145 Å²	145	31.9 Å²	31.9	76%	0.759	16%	0.164	S	C	*	.	H	α-helix	trans	-60.5	-27.1	173	-71.7	173.1	0	0	0	113	K684 R685 L686 N690	K684-L688 WeakPolarHBondContact O-CG 3.43Å; K684-L688 PolarHBondContact O-N 2.94Å; R685-L688 PolarHBondContact O-N 2.89Å; L686-L688 VanDerWaalsContact C-N 3.35Å; L686-L688 PolarHBondContact O-N 3.49Å; L688-N690 VanDerWaalsContact C-N 3.29Å
689	A	93.2	Very high	93.6	Very high	21 Å²	21	33 Å²	33	17%	0.174	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	11.5	175.2	0	0	0	0	0	113.6	I661 R665 R685 L686 Q687 I691	I661-A689 HydrophobicContact CD1-CB 3.69Å; I661-A689 HydrophobicContact CG1-CB 4.26Å; I661-A689 HydrophobicContact CG2-CB 4.13Å; R665-A689 PolarHBondContact NH2-O 3Å; R685-A689 PolarHBondContact O-N 2.75Å; L686-A689 CarbonylContact O-C 3.59Å; L686-A689 WeakPolarHBondContact O-CA 3.23Å; L686-A689 WeakPolarHBondContact O-CB 3.37Å; L686-A689 PolarHBondContact O-N 3.36Å; Q687-A689 PolarHBondContact O-N 3.01Å; A689-I691 PolarHBondContact O-N 3.03Å
690	N	93	Very high	92.9	Very high	91 Å²	91	31 Å²	31	49%	0.487	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	31.9	-175.6	-158.6	38.7	0	0	0	113.4	Q578 Y582 L686 Q687 L688 F692	Q578-N690 PolarHBondContact NE2-OD1 3.43Å; Y582-N690 PolarHBondContact OH-O 3.32Å; L686-N690 PolarHBondContact O-N 3.1Å; Q687-N690 WeakPolarHBondContact O-CA 3.43Å; Q687-N690 PolarHBondContact O-N 2.99Å; L688-N690 VanDerWaalsContact C-N 3.29Å; N690-F692 WeakPolarHBondContact OD1-CE2 3.35Å
691	I	94.8	Very high	91.8	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.046	17%	0.171	C	C	.	.			trans	-113.1	118.9	173.8	-56.2	177.4	0	0	0	108.3	Y582 P585 I661 R665 L686 Q687 A689 P693	Y582-I691 HydrophobicContact CE2-CG2 4.08Å; Y582-I691 VanDerWaalsContact OH-CA 3.32Å; Y582-I691 WeakPolarHBondContact OH-CA 3.29Å; P585-I691 HydrophobicContact CG-CG2 3.64Å; I661-I691 HydrophobicContact CG2-CD1 3.73Å; R665-I691 HydrophobicContact CG-CD1 3.9Å; L686-I691 CarbonylContact C-O 3.49Å; L686-I691 HydrophobicContact CB-CB 4.26Å; L686-I691 WeakPolarHBondContact CB-O 3.31Å; L686-I691 HydrophobicContact CD2-CB 4Å; L686-I691 HydrophobicContact CD2-CD1 4.18Å; L686-I691 HydrophobicContact CD2-CG2 3.89Å; L686-I691 PolarHBondContact O-N 3.34Å; Q687-I691 PolarHBondContact N-O 3.34Å; A689-I691 PolarHBondContact O-N 3.03Å; I691-P693 VanDerWaalsContact O-CD 3.23Å; I691-P693 WeakPolarHBondContact O-CD 3.32Å
692	F	94.9	Very high	90.2	Very high	21 Å²	21	32 Å²	32	9%	0.092	16%	0.156	C	C	.	.			trans	-107.9	96.6	-173.6	-61	-77.5	0	0	0	110.7	L580 Y582 R584 Q687 N690 I774	L580-F692 HydrophobicContact CD2-CD2 4.01Å; Y582-F692 WeakPolarHBondContact OH-CD2 3.45Å; Y582-F692 PolarHBondContact OH-N 2.8Å; R584-F692 PolarHBondContact NE-O 2.9Å; R584-F692 PolarHBondContact NH2-O 3.26Å; Q687-F692 HydrophobicContact CB-CE1 4.44Å; Q687-F692 HydrophobicContact CG-CD1 4.02Å; Q687-F692 HydrophobicContact CG-CE1 4.29Å; N690-F692 WeakPolarHBondContact OD1-CE2 3.35Å; F692-I774 HydrophobicContact CB-CG2 4.36Å; F692-I774 HydrophobicContact CD1-CB 4.25Å; F692-I774 HydrophobicContact CD1-CG2 3.51Å; F692-I774 HydrophobicContact CD2-CG2 3.79Å; F692-I774 HydrophobicContact CE1-CB 3.97Å; F692-I774 HydrophobicContact CE1-CD1 4.49Å; F692-I774 HydrophobicContact CE1-CG2 3.61Å; F692-I774 HydrophobicContact CE2-CG2 3.88Å; F692-I774 HydrophobicContact CG-CG2 3.61Å; F692-I774 HydrophobicContact CZ-CB 4.24Å; F692-I774 HydrophobicContact CZ-CD1 4.05Å; F692-I774 HydrophobicContact CZ-CG2 3.79Å
693	P	96.7	Very high	88.1	Confident	6 Å²	6	34.3 Å²	34.3	4%	0.039	17%	0.171	C	C	.	.			trans	-66.8	159.3	-178.6	27.8	-34.7	0	0	0	112.2	R584 P585 V587 I683 L686 I691 A695	R584-P693 PolarHBondContact NH2-O 2.93Å; P585-P693 HydrophobicContact CG-CB 4.03Å; P585-P693 CarbonylContact O-C 3.46Å; P585-P693 WeakPolarHBondContact O-CA 3.48Å; V587-P693 HydrophobicContact CG2-CB 3.88Å; V587-P693 HydrophobicContact CG2-CG 4.47Å; I683-P693 HydrophobicContact CB-CG 4.33Å; I683-P693 HydrophobicContact CG1-CG 4.21Å; I683-P693 HydrophobicContact CG2-CG 3.79Å; L686-P693 HydrophobicContact CD1-CB 4.21Å; L686-P693 HydrophobicContact CD1-CG 4.04Å; I691-P693 VanDerWaalsContact O-CD 3.23Å; I691-P693 WeakPolarHBondContact O-CD 3.32Å; P693-A695 PolarHBondContact O-N 2.76Å
694	I	96.6	Very high	86.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	99.2	159.4	-55.7	171.3	0	0	0	106.1	R584 P585 V586 V587 I696 I764 Q767	R584-I694 HydrophobicContact CB-CD1 4.18Å; R584-I694 HydrophobicContact CB-CG1 3.99Å; P585-I694 PolarHBondContact O-N 2.81Å; V586-I694 WeakPolarHBondContact CA-O 3.5Å; V586-I694 HydrophobicContact CG2-CB 4.35Å; V586-I694 HydrophobicContact CG2-CD1 4.38Å; V587-I694 PolarHBondContact N-O 3.43Å; I694-I696 HydrophobicContact CG2-CD1 4.13Å; I694-I696 HydrophobicContact CG2-CG1 4.03Å; I694-I764 HydrophobicContact CD1-CG2 4.22Å; I694-Q767 HydrophobicContact CD1-CB 3.88Å; I694-Q767 HydrophobicContact CG1-CB 3.87Å; I694-Q767 HydrophobicContact CG2-CB 3.89Å; I694-Q767 HydrophobicContact CG2-CG 4.3Å
695	A	96.3	Very high	83.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.4	178.1	0	0	0	0	0	110.4	V587 I683 P693 C740 T742 G743	V587-A695 CarbonylContact O-C 3.54Å; V587-A695 WeakPolarHBondContact O-CA 3.33Å; I683-A695 HydrophobicContact CD1-CB 3.62Å; I683-A695 HydrophobicContact CG1-CB 4.39Å; P693-A695 PolarHBondContact O-N 2.76Å; A695-C740 WeakPolarHBondContact CB-O 3.1Å; A695-T742 PolarHBondContact N-OG1 3.21Å; A695-T742 PolarHBondContact O-N 2.84Å; A695-T742 PolarHBondContact O-OG1 3.29Å; A695-G743 PolarHBondContact O-N 2.73Å; A695-G743 VanDerWaalsContact O-N 3.14Å
696	I	95.2	Very high	82.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.3	-178.6	-56.9	174.9	0	0	0	108.6	V587 I588 L589 I694 G743 L745 V760 T763 I764	V587-I696 PolarHBondContact O-N 2.82Å; I588-I696 WeakPolarHBondContact CA-O 3.19Å; L589-I696 PolarHBondContact N-O 2.76Å; I694-I696 HydrophobicContact CG2-CD1 4.13Å; I694-I696 HydrophobicContact CG2-CG1 4.03Å; I696-G743 WeakPolarHBondContact CA-O 3.46Å; I696-L745 HydrophobicContact CG2-CD1 4.03Å; I696-L745 HydrophobicContact CG2-CG 4.1Å; I696-V760 HydrophobicContact CD1-CG1 4.12Å; I696-V760 HydrophobicContact CG2-CG2 4.33Å; I696-T763 HydrophobicContact CD1-CG2 3.75Å; I696-T763 HydrophobicContact CG1-CG2 3.85Å; I696-I764 HydrophobicContact CD1-CD1 4.39Å; I696-I764 HydrophobicContact CD1-CG1 3.7Å
697	F	94.2	Very high	80.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.7	177.3	-172.4	-121.8	0	0	0	110.8	L589 K699 C730 T733 E734 F741 G743 L744 L745	L589-F697 HydrophobicContact CB-CD2 3.7Å; L589-F697 HydrophobicContact CB-CE2 4.39Å; F697-K699 HydrophobicContact CD1-CB 4.03Å; F697-K699 HydrophobicContact CE1-CB 3.59Å; F697-K699 HydrophobicContact CE1-CD 3.9Å; F697-K699 HydrophobicContact CE1-CG 4.2Å; F697-K699 HydrophobicContact CZ-CB 4.23Å; F697-C730 HydrophobicContact CZ-CB 3.86Å; F697-C730 VanDerWaalsContact CZ-O 3.23Å; F697-C730 WeakPolarHBondContact CZ-O 3.45Å; F697-T733 HydrophobicContact CD2-CG2 4.19Å; F697-T733 HydrophobicContact CE2-CG2 3.74Å; F697-E734 HydrophobicContact CE1-CB 3.72Å; F697-E734 HydrophobicContact CE1-CG 4.15Å; F697-E734 HydrophobicContact CZ-CB 4.11Å; F697-F741 HydrophobicContact CB-CB 4.46Å; F697-F741 HydrophobicContact CB-CD1 3.99Å; F697-F741 HydrophobicContact CB-CD2 3.5Å; F697-F741 VanDerWaalsContact CB-CD2 3.5Å; F697-F741 HydrophobicContact CB-CE1 4.07Å; F697-F741 HydrophobicContact CB-CE2 3.55Å; F697-F741 HydrophobicContact CB-CG 3.72Å; F697-F741 HydrophobicContact CB-CZ 3.86Å; F697-F741 HydrophobicContact CD1-CD2 4.05Å; F697-F741 AromaticContact CD1-CE2 3.47Å; F697-F741 HydrophobicContact CD1-CE2 3.47Å; F697-F741 VanDerWaalsContact CD1-CE2 3.47Å; F697-F741 HydrophobicContact CD1-CZ 4.04Å; F697-F741 HydrophobicContact CD2-CE1 4.35Å; F697-F741 HydrophobicContact CD2-CE2 4.1Å; F697-F741 AromaticContact CD2-CZ 3.83Å; F697-F741 HydrophobicContact CD2-CZ 3.83Å; F697-F741 HydrophobicContact CE1-CE2 4.18Å; F697-F741 HydrophobicContact CE2-CZ 4.41Å; F697-F741 AromaticContact CG-CD2 3.93Å; F697-F741 HydrophobicContact CG-CD2 3.93Å; F697-F741 HydrophobicContact CG-CE1 4.26Å; F697-F741 AromaticContact CG-CE2 3.44Å; F697-F741 HydrophobicContact CG-CE2 3.44Å; F697-F741 VanDerWaalsContact CG-CE2 3.44Å; F697-F741 AromaticContact CG-CZ 3.65Å; F697-F741 HydrophobicContact CG-CZ 3.65Å; F697-G743 PolarHBondContact N-O 3.44Å; F697-L744 HydrophobicContact CB-CD1 4.1Å; F697-L744 HydrophobicContact CD1-CD1 3.49Å; F697-L744 VanDerWaalsContact CD1-CD1 3.49Å; F697-L744 HydrophobicContact CE1-CD1 4.43Å; F697-L744 HydrophobicContact CG-CD1 4.27Å; F697-L745 PolarHBondContact O-N 3.13Å
698	V	91.4	Very high	79.3	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.5	177.3	-176.8	0	0	0	0	108.4	I588 L589 G590 A591 L596 W714 L745 I756 V760	I588-V698 HydrophobicContact CG2-CG2 4.28Å; L589-V698 PolarHBondContact O-N 2.9Å; G590-V698 WeakPolarHBondContact CA-O 3.14Å; A591-V698 HydrophobicContact CB-CG1 4.49Å; A591-V698 PolarHBondContact N-O 3.28Å; A591-V698 WeakPolarHBondContact O-CB 3.46Å; L596-V698 HydrophobicContact CD1-CG2 3.91Å; V698-W714 HydrophobicContact CG1-CH2 4.46Å; V698-W714 HydrophobicContact CG1-CZ3 4.15Å; V698-L745 HydrophobicContact CG2-CD1 4.38Å; V698-I756 HydrophobicContact CG1-CG2 3.93Å; V698-I756 HydrophobicContact CG2-CG2 4.38Å; V698-V760 HydrophobicContact CG2-CG2 4.47Å
699	K	85.3	Confident	77.9	Confident	34 Å²	34	30.7 Å²	30.7	15%	0.148	18%	0.175	C	C	.	.			trans	-105.8	124.8	-179.4	176.7	163.3	148.8	-167.5	0	110.3	F697 Y701 E734 L745 L746	F697-K699 HydrophobicContact CD1-CB 4.03Å; F697-K699 HydrophobicContact CE1-CB 3.59Å; F697-K699 HydrophobicContact CE1-CD 3.9Å; F697-K699 HydrophobicContact CE1-CG 4.2Å; F697-K699 HydrophobicContact CZ-CB 4.23Å; K699-Y701 PolarHBondContact O-N 3Å; K699-E734 WeakPolarHBondContact CD-OE2 3.31Å; K699-E734 WeakPolarHBondContact CE-OE2 3.33Å; K699-E734 IonicContact NZ-OE1 3.64Å; K699-E734 PolarHBondContact NZ-OE1 3.44Å; K699-E734 IonicContact NZ-OE2 3.1Å; K699-E734 PolarHBondContact NZ-OE2 3.36Å; K699-L745 PolarHBondContact N-O 3.21Å; K699-L746 HydrophobicContact CB-CD2 3.71Å; K699-L746 HydrophobicContact CB-CG 4.42Å; K699-L746 HydrophobicContact CD-CD2 3.56Å; K699-L746 HydrophobicContact CG-CD2 3.67Å
700	P	76.9	Confident	76.5	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.17	C	C	.	.			trans	-57.1	131.1	168.2	-22.4	33.4	0	0	0	110.8	A591 I707 L711 W714	A591-P700 HydrophobicContact CB-CG 3.74Å; P700-I707 HydrophobicContact CB-CG2 3.88Å; P700-L711 HydrophobicContact CB-CD2 4.24Å; P700-L711 HydrophobicContact CB-CG 4.08Å; P700-L711 HydrophobicContact CG-CD1 4.12Å; P700-L711 HydrophobicContact CG-CD2 3.5Å; P700-L711 HydrophobicContact CG-CG 3.79Å; P700-W714 HydrophobicContact CB-CH2 4.24Å; P700-W714 HydrophobicContact CB-CZ3 4.12Å; P700-W714 HydrophobicContact CG-CH2 4.42Å; P700-W714 HydrophobicContact CG-CZ3 3.87Å
701	Y	68.9	Low	75.5	Confident	97 Å²	97	26 Å²	26	38%	0.38	15%	0.148	S	C	.	.			trans	-98.8	141.1	173.3	-175.1	-93.8	0	0	0	110.1	K699 S710 L746 C749	K699-Y701 PolarHBondContact O-N 3Å; Y701-S710 PolarHBondContact O-OG 2.79Å; Y701-L746 WeakPolarHBondContact CB-O 3.39Å; Y701-L746 VanDerWaalsContact CD2-O 3.23Å; Y701-L746 WeakPolarHBondContact CD2-O 3.34Å; Y701-C749 HydrophobicContact CD1-CB 4.07Å
702	G	58.7	Low	74.2	Confident	17 Å²	17	31 Å²	31	18%	0.175	17%	0.166	C	C	.	.			trans	156.5	144.3	173	0	0	0	0	0	111.4	I707	G702-I707 WeakPolarHBondContact O-CD1 3.37Å; G702-I707 VanDerWaalsContact O-CG1 3.25Å; G702-I707 WeakPolarHBondContact O-CG1 3.2Å
703	P	51.3	Low	73	Confident	49 Å²	49	35.5 Å²	35.5	32%	0.318	19%	0.188	S	C	.	.	S	Bend	trans	-74.5	128.8	170.7	19.3	-24.2	0	0	0	112	N37 Q705 L706	N37-P703 HydrophobicContact CB-CG 4.06Å; N37-P703 VanDerWaalsContact ND2-CG 3.35Å; N37-P703 WeakPolarHBondContact ND2-CG 3.43Å; N37-P703 WeakPolarHBondContact OD1-CB 3.45Å; N37-P703 WeakPolarHBondContact OD1-CG 3.36Å; P703-Q705 PolarHBondContact O-N 3.3Å; P703-L706 HydrophobicContact CG-CD1 4.05Å; P703-L706 WeakPolarHBondContact O-CB 3.31Å; P703-L706 PolarHBondContact O-N 3.27Å
704	G	54.3	Low	71.8	Confident	56 Å²	56	35.9 Å²	35.9	58%	0.577	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	-125.2	171.5	0	0	0	0	0	114.4	L706 I707	G704-L706 PolarHBondContact O-N 2.88Å; G704-I707 VanDerWaalsContact O-CD1 3.3Å; G704-I707 WeakPolarHBondContact O-CD1 3.38Å; G704-I707 PolarHBondContact O-N 3.43Å
705	Q	45	Very low	70.7	Confident	92 Å²	92	38.9 Å²	38.9	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-12.5	-177.5	-74.2	162.7	-3.9	0	0	114.1	P703 I707 C708	P703-Q705 PolarHBondContact O-N 3.3Å; Q705-I707 PolarHBondContact O-N 3.26Å; Q705-C708 WeakPolarHBondContact O-CB 3.39Å; Q705-C708 PolarHBondContact O-N 3.08Å
706	L	56.9	Low	69.5	Low	49 Å²	49	47.1 Å²	47.1	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-21.8	178	-68.6	-178.7	0	0	0	113	N37 P703 G704 C708 L709 S710	N37-L706 HydrophobicContact CB-CD1 4.27Å; N37-L706 WeakPolarHBondContact ND2-CD1 3.39Å; P703-L706 HydrophobicContact CG-CD1 4.05Å; P703-L706 WeakPolarHBondContact O-CB 3.31Å; P703-L706 PolarHBondContact O-N 3.27Å; G704-L706 PolarHBondContact O-N 2.88Å; L706-C708 PolarHBondContact O-N 3.24Å; L706-L709 HydrophobicContact CD2-CD1 3.6Å; L706-L709 HydrophobicContact CD2-CG 4.49Å; L706-L709 WeakPolarHBondContact O-CA 3.28Å; L706-L709 WeakPolarHBondContact O-CB 3.33Å; L706-L709 PolarHBondContact O-N 3.03Å; L706-S710 PolarHBondContact O-N 2.94Å; L706-S710 PolarHBondContact O-OG 2.94Å
707	I	66.2	Low	68.7	Low	2 Å²	2	58.3 Å²	58.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-36.8	173.2	-74.1	137.7	0	0	0	112	P700 G702 G704 Q705 L709 S710 L711 Y727	P700-I707 HydrophobicContact CB-CG2 3.88Å; G702-I707 WeakPolarHBondContact O-CD1 3.37Å; G702-I707 VanDerWaalsContact O-CG1 3.25Å; G702-I707 WeakPolarHBondContact O-CG1 3.2Å; G704-I707 VanDerWaalsContact O-CD1 3.3Å; G704-I707 WeakPolarHBondContact O-CD1 3.38Å; G704-I707 PolarHBondContact O-N 3.43Å; Q705-I707 PolarHBondContact O-N 3.26Å; I707-L709 PolarHBondContact O-N 2.7Å; I707-S710 PolarHBondContact O-N 2.78Å; I707-L711 HydrophobicContact CG2-CD1 3.9Å; I707-L711 HydrophobicContact CG2-CG 4.37Å; I707-L711 WeakPolarHBondContact O-CB 3.36Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 2.91Å; I707-Y727 HydrophobicContact CB-CD2 4.26Å; I707-Y727 HydrophobicContact CB-CG 4.27Å; I707-Y727 HydrophobicContact CD1-CD1 3.87Å; I707-Y727 HydrophobicContact CD1-CD2 3.81Å; I707-Y727 HydrophobicContact CD1-CE1 3.41Å; I707-Y727 VanDerWaalsContact CD1-CE1 3.41Å; I707-Y727 HydrophobicContact CD1-CE2 3.31Å; I707-Y727 HydrophobicContact CD1-CG 4.04Å; I707-Y727 WeakPolarHBondContact CD1-OH 3.18Å; I707-Y727 HydrophobicContact CG1-CD2 3.97Å; I707-Y727 HydrophobicContact CG1-CE2 3.8Å; I707-Y727 HydrophobicContact CG1-CG 4.37Å; I707-Y727 HydrophobicContact CG2-CD1 4.24Å; I707-Y727 HydrophobicContact CG2-CD2 3.49Å; I707-Y727 VanDerWaalsContact CG2-CD2 3.49Å; I707-Y727 HydrophobicContact CG2-CE2 4.21Å; I707-Y727 HydrophobicContact CG2-CG 3.48Å; I707-Y727 VanDerWaalsContact CG2-CG 3.48Å
708	C	63.2	Low	67.9	Low	11 Å²	11	59 Å²	59	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-34.1	175.8	-65	0	0	0	0	111.1	Q705 L706 R712 A723 V724	Q705-C708 WeakPolarHBondContact O-CB 3.39Å; Q705-C708 PolarHBondContact O-N 3.08Å; L706-C708 PolarHBondContact O-N 3.24Å; C708-R712 VanDerWaalsContact O-CB 3.27Å; C708-R712 WeakPolarHBondContact O-CB 3.39Å; C708-R712 WeakPolarHBondContact O-CD 3.42Å; C708-R712 WeakPolarHBondContact O-CG 3.34Å; C708-R712 PolarHBondContact O-N 3.37Å; C708-A723 HydrophobicContact CB-CB 4.13Å; C708-V724 WeakPolarHBondContact SG-CG2 3.45Å
709	L	62.6	Low	67.4	Low	86 Å²	86	61.5 Å²	61.5	45%	0.45	30%	0.299	S	S	.	.	H	α-helix	trans	-69.5	-48.5	173.9	-60.5	-177.2	0	0	0	111.1	L706 I707 L711 R712 E713	L706-L709 HydrophobicContact CD2-CD1 3.6Å; L706-L709 HydrophobicContact CD2-CG 4.49Å; L706-L709 WeakPolarHBondContact O-CA 3.28Å; L706-L709 WeakPolarHBondContact O-CB 3.33Å; L706-L709 PolarHBondContact O-N 3.03Å; I707-L709 PolarHBondContact O-N 2.7Å; L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.59Å; L709-R712 CarbonylContact O-C 3.51Å; L709-R712 WeakPolarHBondContact O-CA 3.34Å; L709-R712 PolarHBondContact O-N 3.09Å; L709-E713 WeakPolarHBondContact O-CG 3.41Å; L709-E713 PolarHBondContact O-N 3.39Å
710	S	65	Low	66.8	Low	10 Å²	10	65.3 Å²	65.3	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-54.9	-45.2	176.1	-50	0	0	0	0	111.5	Y701 L706 I707 E713 W714	Y701-S710 PolarHBondContact O-OG 2.79Å; L706-S710 PolarHBondContact O-N 2.94Å; L706-S710 PolarHBondContact O-OG 2.94Å; I707-S710 PolarHBondContact O-N 2.78Å; S710-E713 PolarHBondContact O-N 3.29Å; S710-W714 VanDerWaalsContact O-CD1 3.24Å; S710-W714 PolarHBondContact O-N 3.05Å
711	L	70.7	Confident	66.8	Low	5 Å²	5	71.1 Å²	71.1	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-37.2	176.6	-77.5	172.4	0	0	0	113	A591 P700 I707 L709 W714 N715 A723 V726	A591-L711 HydrophobicContact CB-CD2 3.77Å; P700-L711 HydrophobicContact CB-CD2 4.24Å; P700-L711 HydrophobicContact CB-CG 4.08Å; P700-L711 HydrophobicContact CG-CD1 4.12Å; P700-L711 HydrophobicContact CG-CD2 3.5Å; P700-L711 HydrophobicContact CG-CG 3.79Å; I707-L711 HydrophobicContact CG2-CD1 3.9Å; I707-L711 HydrophobicContact CG2-CG 4.37Å; I707-L711 WeakPolarHBondContact O-CB 3.36Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 2.91Å; L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.59Å; L711-W714 HydrophobicContact CD2-CE3 4.07Å; L711-W714 HydrophobicContact CD2-CZ3 4.45Å; L711-W714 PolarHBondContact O-N 3.11Å; L711-N715 PolarHBondContact O-N 3.34Å; L711-A723 HydrophobicContact CB-CB 4Å; L711-A723 HydrophobicContact CD1-CB 3.86Å; L711-A723 WeakPolarHBondContact CD1-O 3.48Å; L711-V726 HydrophobicContact CD1-CB 4.1Å; L711-V726 HydrophobicContact CD1-CG1 4.02Å; L711-V726 HydrophobicContact CD2-CG1 3.97Å
712	R	68.6	Low	67.6	Low	114 Å²	114	70.4 Å²	70.4	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-71.8	-29.2	175.8	-75.9	173.8	73.5	179.5	2.6	112.5	C708 L709 N715 R716 I718	C708-R712 VanDerWaalsContact O-CB 3.27Å; C708-R712 WeakPolarHBondContact O-CB 3.39Å; C708-R712 WeakPolarHBondContact O-CD 3.42Å; C708-R712 WeakPolarHBondContact O-CG 3.34Å; C708-R712 PolarHBondContact O-N 3.37Å; L709-R712 CarbonylContact O-C 3.51Å; L709-R712 WeakPolarHBondContact O-CA 3.34Å; L709-R712 PolarHBondContact O-N 3.09Å; R712-N715 CarbonylContact O-C 3.59Å; R712-R716 WeakPolarHBondContact O-CA 3.45Å; R712-R716 WeakPolarHBondContact O-CG 3.43Å; R712-R716 PolarHBondContact O-N 3.3Å; R712-I718 HydrophobicContact CB-CG2 4.27Å; R712-I718 HydrophobicContact CG-CG2 3.53Å
713	E	68.4	Low	68.6	Low	115 Å²	115	69.6 Å²	69.6	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-41.9	171.4	-73.7	177.8	-178.7	0	0	110.9	L709 S710	L709-E713 WeakPolarHBondContact O-CG 3.41Å; L709-E713 PolarHBondContact O-N 3.39Å; S710-E713 PolarHBondContact O-N 3.29Å
714	W	72	Confident	69.9	Low	14 Å²	14	70 Å²	70	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-70	-36.1	176.8	-63.3	-3	0	0	0	112.8	A591 L592 V698 P700 S710 L711 S751 I756	A591-W714 HydrophobicContact CB-CE3 4.15Å; A591-W714 HydrophobicContact CB-CZ3 3.84Å; L592-W714 HydrophobicContact CD1-CB 3.87Å; L592-W714 HydrophobicContact CD1-CD2 4.01Å; L592-W714 HydrophobicContact CD1-CE3 3.75Å; L592-W714 HydrophobicContact CD1-CG 4.08Å; L592-W714 HydrophobicContact CD2-CB 4.09Å; L592-W714 HydrophobicContact CG-CB 4.31Å; L592-W714 HydrophobicContact CG-CE3 4.1Å; V698-W714 HydrophobicContact CG1-CH2 4.46Å; V698-W714 HydrophobicContact CG1-CZ3 4.15Å; P700-W714 HydrophobicContact CB-CH2 4.24Å; P700-W714 HydrophobicContact CB-CZ3 4.12Å; P700-W714 HydrophobicContact CG-CH2 4.42Å; P700-W714 HydrophobicContact CG-CZ3 3.87Å; S710-W714 VanDerWaalsContact O-CD1 3.24Å; S710-W714 PolarHBondContact O-N 3.05Å; L711-W714 HydrophobicContact CD2-CE3 4.07Å; L711-W714 HydrophobicContact CD2-CZ3 4.45Å; L711-W714 PolarHBondContact O-N 3.11Å; W714-S751 PolarHBondContact NE1-O 2.91Å; W714-I756 HydrophobicContact CD2-CD1 3.72Å; W714-I756 HydrophobicContact CE3-CD1 4.1Å; W714-I756 HydrophobicContact CG-CD1 4.28Å; W714-I756 HydrophobicContact CH2-CD1 3.87Å; W714-I756 HydrophobicContact CZ2-CD1 3.51Å; W714-I756 HydrophobicContact CZ3-CD1 4.16Å
715	N	74.8	Confident	71.4	Confident	62 Å²	62	74.4 Å²	74.4	33%	0.332	34%	0.34	S	S	.	.			trans	-139.6	91.3	177.6	-177.3	2.9	0	0	0	110.8	L711 R712 R717 I718	L711-N715 PolarHBondContact O-N 3.34Å; R712-N715 CarbonylContact O-C 3.59Å; N715-R717 PolarHBondContact O-N 2.86Å; N715-R717 PolarHBondContact OD1-N 3.32Å; N715-I718 HydrophobicContact CB-CB 4.35Å; N715-I718 WeakPolarHBondContact O-CB 3.34Å; N715-I718 WeakPolarHBondContact O-CG2 3.42Å; N715-I718 PolarHBondContact O-N 3.48Å
716	R	71	Confident	73.3	Confident	173 Å²	173	71.9 Å²	71.9	65%	0.653	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-14.5	-177.9	-66.1	-176.9	179.4	-172.4	-1.7	115.1	G214 R712	G214-R716 PolarHBondContact O-NH1 2.92Å; G214-R716 PolarHBondContact O-NH2 3.18Å; R712-R716 WeakPolarHBondContact O-CA 3.45Å; R712-R716 WeakPolarHBondContact O-CG 3.43Å; R712-R716 PolarHBondContact O-N 3.3Å
717	R	76.6	Confident	74.6	Confident	236 Å²	236	72.3 Å²	72.3	89%	0.891	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.9	-179.8	-60.7	-178.7	-176.2	173.8	2.2	113.8	N715 S719	N715-R717 PolarHBondContact O-N 2.86Å; N715-R717 PolarHBondContact OD1-N 3.32Å; R717-S719 PolarHBondContact O-N 3.06Å
718	I	78.2	Confident	75.5	Confident	14 Å²	14	77.9 Å²	77.9	7%	0.072	36%	0.356	C	S	.	.			trans	-67.5	130.8	-179.5	-159.9	170.8	0	0	0	109.8	R712 N715 E722 A723 V726	R712-I718 HydrophobicContact CB-CG2 4.27Å; R712-I718 HydrophobicContact CG-CG2 3.53Å; N715-I718 HydrophobicContact CB-CB 4.35Å; N715-I718 WeakPolarHBondContact O-CB 3.34Å; N715-I718 WeakPolarHBondContact O-CG2 3.42Å; N715-I718 PolarHBondContact O-N 3.48Å; I718-E722 HydrophobicContact CD1-CB 4.37Å; I718-E722 HydrophobicContact CD1-CG 4.01Å; I718-E722 HydrophobicContact CG1-CB 3.73Å; I718-E722 HydrophobicContact CG1-CG 3.65Å; I718-A723 HydrophobicContact CD1-CB 4.07Å; I718-A723 HydrophobicContact CG1-CB 4.35Å; I718-A723 HydrophobicContact CG2-CB 4.27Å; I718-V726 HydrophobicContact CD1-CG2 4.17Å
719	S	80.3	Confident	76.7	Confident	55 Å²	55	83.7 Å²	83.7	39%	0.385	38%	0.38	S	S	.	.			trans	-70.6	156.4	171	63.5	0	0	0	0	110.3	R717 D721 E722 A723	R717-S719 PolarHBondContact O-N 3.06Å; S719-D721 VanDerWaalsContact C-N 3.32Å; S719-D721 PolarHBondContact O-N 3.42Å; S719-E722 PolarHBondContact O-N 3.43Å; S719-E722 VanDerWaalsContact O-N 3.17Å; S719-E722 WeakPolarHBondContact OG-CB 3.41Å; S719-E722 PolarHBondContact OG-N 3.21Å; S719-A723 PolarHBondContact O-N 2.95Å
720	E	72.7	Confident	77.9	Confident	114 Å²	114	79.7 Å²	79.7	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-44.2	177.9	-170.5	167.9	-178.5	0	0	111.7	E722 A723 V724	E720-E722 VanDerWaalsContact C-N 3.27Å; E720-E722 PolarHBondContact O-N 3.42Å; E720-A723 WeakPolarHBondContact O-CB 3.4Å; E720-A723 PolarHBondContact O-N 3.24Å; E720-A723 VanDerWaalsContact O-N 3.11Å; E720-V724 WeakPolarHBondContact O-CG2 3.46Å; E720-V724 PolarHBondContact O-N 3.44Å
721	D	78.6	Confident	78.9	Confident	123 Å²	123	82.4 Å²	82.4	66%	0.658	37%	0.372	S	S	*	.	H	α-helix	trans	-61.4	-33.7	175.8	-66.4	-22.6	0	0	0	113.1	S719 R725	S719-D721 VanDerWaalsContact C-N 3.32Å; S719-D721 PolarHBondContact O-N 3.42Å; D721-R725 VanDerWaalsContact O-CG 3.31Å; D721-R725 WeakPolarHBondContact O-CG 3.26Å; D721-R725 PolarHBondContact O-N 3.34Å; D721-R725 PolarHBondContact O-NE 3.39Å; D721-R725 VanDerWaalsContact O-NE 3.08Å
722	E	84.1	Confident	79.8	Confident	81 Å²	81	87.2 Å²	87.2	38%	0.379	40%	0.395	S	S	.	.	H	α-helix	trans	-74.1	-39.1	174.4	-172.7	178.3	-173.7	0	0	111.6	I718 S719 E720 V724 R725 V726	I718-E722 HydrophobicContact CD1-CB 4.37Å; I718-E722 HydrophobicContact CD1-CG 4.01Å; I718-E722 HydrophobicContact CG1-CB 3.73Å; I718-E722 HydrophobicContact CG1-CG 3.65Å; S719-E722 PolarHBondContact O-N 3.43Å; S719-E722 VanDerWaalsContact O-N 3.17Å; S719-E722 WeakPolarHBondContact OG-CB 3.41Å; S719-E722 PolarHBondContact OG-N 3.21Å; E720-E722 VanDerWaalsContact C-N 3.27Å; E720-E722 PolarHBondContact O-N 3.42Å; E722-V724 PolarHBondContact O-N 3.42Å; E722-R725 PolarHBondContact O-N 2.89Å; E722-V726 WeakPolarHBondContact O-CG2 3.38Å; E722-V726 PolarHBondContact O-N 2.95Å
723	A	79.8	Confident	80.8	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-43.2	176	0	0	0	0	0	112	C708 L711 I718 S719 E720 R725 V726 Y727	C708-A723 HydrophobicContact CB-CB 4.13Å; L711-A723 HydrophobicContact CB-CB 4Å; L711-A723 HydrophobicContact CD1-CB 3.86Å; L711-A723 WeakPolarHBondContact CD1-O 3.48Å; I718-A723 HydrophobicContact CD1-CB 4.07Å; I718-A723 HydrophobicContact CG1-CB 4.35Å; I718-A723 HydrophobicContact CG2-CB 4.27Å; S719-A723 PolarHBondContact O-N 2.95Å; E720-A723 WeakPolarHBondContact O-CB 3.4Å; E720-A723 PolarHBondContact O-N 3.24Å; E720-A723 VanDerWaalsContact O-N 3.11Å; A723-R725 PolarHBondContact O-N 3.27Å; A723-V726 PolarHBondContact O-N 3.23Å; A723-Y727 PolarHBondContact O-N 2.94Å
724	V	79.9	Confident	81.8	Confident	57 Å²	57	78.7 Å²	78.7	35%	0.345	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-46.6	174.1	174.9	0	0	0	0	111	C708 E720 E722 V726 Y727 Q728	C708-V724 WeakPolarHBondContact SG-CG2 3.45Å; E720-V724 WeakPolarHBondContact O-CG2 3.46Å; E720-V724 PolarHBondContact O-N 3.44Å; E722-V724 PolarHBondContact O-N 3.42Å; V724-V726 PolarHBondContact O-N 3.37Å; V724-Y727 PolarHBondContact O-N 3.14Å; V724-Q728 HydrophobicContact CG1-CG 4.4Å; V724-Q728 WeakPolarHBondContact O-CG 3.44Å; V724-Q728 PolarHBondContact O-N 3.45Å
725	R	85	Confident	82.4	Confident	150 Å²	150	83.9 Å²	83.9	57%	0.566	39%	0.386	S	S	*	.	H	α-helix	trans	-62	-42.5	178.3	-77.1	-178.7	-70.3	149.1	-3.3	112.5	D721 E722 A723 Y727 K729	D721-R725 VanDerWaalsContact O-CG 3.31Å; D721-R725 WeakPolarHBondContact O-CG 3.26Å; D721-R725 PolarHBondContact O-N 3.34Å; D721-R725 PolarHBondContact O-NE 3.39Å; D721-R725 VanDerWaalsContact O-NE 3.08Å; E722-R725 PolarHBondContact O-N 2.89Å; A723-R725 PolarHBondContact O-N 3.27Å; R725-Y727 VanDerWaalsContact C-N 3.33Å; R725-K729 WeakPolarHBondContact O-CB 3.25Å; R725-K729 PolarHBondContact O-N 2.87Å
726	V	85.4	Confident	83.1	Confident	39 Å²	39	85 Å²	85	24%	0.236	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-44.6	176.1	168.9	0	0	0	0	110.4	A591 L711 I718 E722 A723 V724 K729 C730	A591-V726 HydrophobicContact CB-CG1 4.13Å; L711-V726 HydrophobicContact CD1-CB 4.1Å; L711-V726 HydrophobicContact CD1-CG1 4.02Å; L711-V726 HydrophobicContact CD2-CG1 3.97Å; I718-V726 HydrophobicContact CD1-CG2 4.17Å; E722-V726 WeakPolarHBondContact O-CG2 3.38Å; E722-V726 PolarHBondContact O-N 2.95Å; A723-V726 PolarHBondContact O-N 3.23Å; V724-V726 PolarHBondContact O-N 3.37Å; V726-K729 PolarHBondContact O-N 2.96Å; V726-C730 PolarHBondContact O-N 3.24Å; V726-C730 PolarHBondContact O-SG 2.92Å
727	Y	83.8	Confident	84.1	Confident	58 Å²	58	77.2 Å²	77.2	23%	0.227	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-47.2	178.4	178.3	-117.3	0	0	0	113.4	I707 A723 V724 R725 K729 C730 L731	I707-Y727 HydrophobicContact CB-CD2 4.26Å; I707-Y727 HydrophobicContact CB-CG 4.27Å; I707-Y727 HydrophobicContact CD1-CD1 3.87Å; I707-Y727 HydrophobicContact CD1-CD2 3.81Å; I707-Y727 HydrophobicContact CD1-CE1 3.41Å; I707-Y727 VanDerWaalsContact CD1-CE1 3.41Å; I707-Y727 HydrophobicContact CD1-CE2 3.31Å; I707-Y727 HydrophobicContact CD1-CG 4.04Å; I707-Y727 WeakPolarHBondContact CD1-OH 3.18Å; I707-Y727 HydrophobicContact CG1-CD2 3.97Å; I707-Y727 HydrophobicContact CG1-CE2 3.8Å; I707-Y727 HydrophobicContact CG1-CG 4.37Å; I707-Y727 HydrophobicContact CG2-CD1 4.24Å; I707-Y727 HydrophobicContact CG2-CD2 3.49Å; I707-Y727 VanDerWaalsContact CG2-CD2 3.49Å; I707-Y727 HydrophobicContact CG2-CE2 4.21Å; I707-Y727 HydrophobicContact CG2-CG 3.48Å; I707-Y727 VanDerWaalsContact CG2-CG 3.48Å; A723-Y727 PolarHBondContact O-N 2.94Å; V724-Y727 PolarHBondContact O-N 3.14Å; R725-Y727 VanDerWaalsContact C-N 3.33Å; Y727-K729 PolarHBondContact O-N 2.82Å; Y727-C730 WeakPolarHBondContact O-CA 3.13Å; Y727-C730 VanDerWaalsContact O-CB 3.31Å; Y727-C730 WeakPolarHBondContact O-CB 3.22Å; Y727-C730 PolarHBondContact O-N 3.14Å; Y727-L731 HydrophobicContact CD1-CD1 4.19Å; Y727-L731 HydrophobicContact CE1-CD1 3.52Å; Y727-L731 HydrophobicContact CE1-CD2 4.49Å; Y727-L731 HydrophobicContact CE1-CG 4.01Å; Y727-L731 HydrophobicContact CE2-CD1 4.47Å; Y727-L731 HydrophobicContact CE2-CD2 4.06Å; Y727-L731 HydrophobicContact CE2-CG 4.09Å; Y727-L731 PolarHBondContact O-N 3.13Å
728	Q	84.8	Confident	84.7	Confident	118 Å²	118	66 Å²	66	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-56.8	-42.3	176.4	-74	175.3	-21.1	0	0	111.3	V724 C730 L731 Q732	V724-Q728 HydrophobicContact CG1-CG 4.4Å; V724-Q728 WeakPolarHBondContact O-CG 3.44Å; V724-Q728 PolarHBondContact O-N 3.45Å; Q728-C730 VanDerWaalsContact C-N 3.32Å; Q728-C730 PolarHBondContact O-N 3.23Å; Q728-L731 PolarHBondContact O-N 3.14Å; Q728-Q732 PolarHBondContact O-N 2.88Å
729	K	88.8	Confident	85.2	Confident	133 Å²	133	67.3 Å²	67.3	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-63.8	-36.5	174.7	-172.3	175.4	-178.9	-178.7	0	112.4	R725 V726 Y727 T733	R725-K729 WeakPolarHBondContact O-CB 3.25Å; R725-K729 PolarHBondContact O-N 2.87Å; V726-K729 PolarHBondContact O-N 2.96Å; Y727-K729 PolarHBondContact O-N 2.82Å; K729-T733 WeakPolarHBondContact O-CB 3.42Å; K729-T733 PolarHBondContact O-N 2.99Å; K729-T733 PolarHBondContact O-OG1 2.72Å
730	C	88.3	Confident	85.7	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-47.9	173.9	-67.1	0	0	0	0	111	F697 V726 Y727 Q728 Q732 T733 E734	F697-C730 HydrophobicContact CZ-CB 3.86Å; F697-C730 VanDerWaalsContact CZ-O 3.23Å; F697-C730 WeakPolarHBondContact CZ-O 3.45Å; V726-C730 PolarHBondContact O-N 3.24Å; V726-C730 PolarHBondContact O-SG 2.92Å; Y727-C730 WeakPolarHBondContact O-CA 3.13Å; Y727-C730 VanDerWaalsContact O-CB 3.31Å; Y727-C730 WeakPolarHBondContact O-CB 3.22Å; Y727-C730 PolarHBondContact O-N 3.14Å; Q728-C730 VanDerWaalsContact C-N 3.32Å; Q728-C730 PolarHBondContact O-N 3.23Å; C730-Q732 VanDerWaalsContact C-N 3.34Å; C730-Q732 PolarHBondContact O-N 3.31Å; C730-T733 PolarHBondContact O-N 3.34Å; C730-E734 PolarHBondContact O-N 3.17Å
731	L	85.6	Confident	86.6	Confident	67 Å²	67	59.7 Å²	59.7	35%	0.351	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-46.9	177.6	-68.5	-179.7	0	0	0	112.2	Y727 Q728 T733 E734 Q735	Y727-L731 HydrophobicContact CD1-CD1 4.19Å; Y727-L731 HydrophobicContact CE1-CD1 3.52Å; Y727-L731 HydrophobicContact CE1-CD2 4.49Å; Y727-L731 HydrophobicContact CE1-CG 4.01Å; Y727-L731 HydrophobicContact CE2-CD1 4.47Å; Y727-L731 HydrophobicContact CE2-CD2 4.06Å; Y727-L731 HydrophobicContact CE2-CG 4.09Å; Y727-L731 PolarHBondContact O-N 3.13Å; Q728-L731 PolarHBondContact O-N 3.14Å; L731-T733 VanDerWaalsContact C-N 3.35Å; L731-T733 PolarHBondContact O-N 3.31Å; L731-E734 PolarHBondContact O-N 3.39Å; L731-Q735 WeakPolarHBondContact O-CB 3.42Å; L731-Q735 PolarHBondContact O-N 2.9Å
732	Q	89	Confident	87.1	Confident	106 Å²	106	54.6 Å²	54.6	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-42.6	177	-174.5	177.2	10	0	0	112	Q728 C730 E734 Q735 E736	Q728-Q732 PolarHBondContact O-N 2.88Å; C730-Q732 VanDerWaalsContact C-N 3.34Å; C730-Q732 PolarHBondContact O-N 3.31Å; Q732-E734 PolarHBondContact O-N 3.43Å; Q732-Q735 PolarHBondContact O-N 3.02Å; Q732-E736 HydrophobicContact CG-CG 4.4Å; Q732-E736 WeakPolarHBondContact CG-OE1 3.49Å; Q732-E736 PolarHBondContact NE2-OE1 3.37Å; Q732-E736 WeakPolarHBondContact O-CB 3.45Å; Q732-E736 WeakPolarHBondContact O-CG 3.3Å; Q732-E736 PolarHBondContact O-N 2.78Å
733	T	90.9	Very high	87.2	Confident	18 Å²	18	51.1 Å²	51.1	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-40.9	179.8	-56.9	0	0	0	0	111.7	L589 F697 K729 C730 L731 F737 F741	L589-T733 HydrophobicContact CB-CG2 4.37Å; L589-T733 HydrophobicContact CD1-CG2 4.38Å; F697-T733 HydrophobicContact CD2-CG2 4.19Å; F697-T733 HydrophobicContact CE2-CG2 3.74Å; K729-T733 WeakPolarHBondContact O-CB 3.42Å; K729-T733 PolarHBondContact O-N 2.99Å; K729-T733 PolarHBondContact O-OG1 2.72Å; C730-T733 PolarHBondContact O-N 3.34Å; L731-T733 VanDerWaalsContact C-N 3.35Å; L731-T733 PolarHBondContact O-N 3.31Å; T733-F737 HydrophobicContact CG2-CD2 4.08Å; T733-F737 WeakPolarHBondContact O-CB 3.3Å; T733-F737 WeakPolarHBondContact O-CD2 3.36Å; T733-F737 PolarHBondContact O-N 3Å; T733-F741 HydrophobicContact CG2-CZ 4.21Å
734	E	88.4	Confident	87.5	Confident	33 Å²	33	52.7 Å²	52.7	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-41	176.5	-172.5	-177.9	-145.9	0	0	111.9	F697 K699 C730 L731 Q732 G738	F697-E734 HydrophobicContact CE1-CB 3.72Å; F697-E734 HydrophobicContact CE1-CG 4.15Å; F697-E734 HydrophobicContact CZ-CB 4.11Å; K699-E734 WeakPolarHBondContact CD-OE2 3.31Å; K699-E734 WeakPolarHBondContact CE-OE2 3.33Å; K699-E734 IonicContact NZ-OE1 3.64Å; K699-E734 PolarHBondContact NZ-OE1 3.44Å; K699-E734 IonicContact NZ-OE2 3.1Å; K699-E734 PolarHBondContact NZ-OE2 3.36Å; C730-E734 PolarHBondContact O-N 3.17Å; L731-E734 PolarHBondContact O-N 3.39Å; Q732-E734 PolarHBondContact O-N 3.43Å; E734-G738 WeakPolarHBondContact O-CA 3.42Å; E734-G738 PolarHBondContact O-N 2.92Å
735	Q	85.3	Confident	87.6	Confident	122 Å²	122	50.6 Å²	50.6	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-64.5	-41.4	176.9	-171.8	179.2	16.2	0	0	112.1	L731 Q732	L731-Q735 WeakPolarHBondContact O-CB 3.42Å; L731-Q735 PolarHBondContact O-N 2.9Å; Q732-Q735 PolarHBondContact O-N 3.02Å
736	E	89.6	Confident	86.6	Confident	86 Å²	86	45.1 Å²	45.1	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-83.3	-27.5	-175.5	-71.2	178.8	-164.8	0	0	114.4	K684 Q732	K684-E736 PolarHBondContact NZ-O 2.94Å; Q732-E736 HydrophobicContact CG-CG 4.4Å; Q732-E736 WeakPolarHBondContact CG-OE1 3.49Å; Q732-E736 PolarHBondContact NE2-OE1 3.37Å; Q732-E736 WeakPolarHBondContact O-CB 3.45Å; Q732-E736 WeakPolarHBondContact O-CG 3.3Å; Q732-E736 PolarHBondContact O-N 2.78Å
737	F	91.5	Very high	85.2	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-134.9	11.1	-169.3	-53.1	-75.3	0	0	0	114.1	K684 T733 D739 C740 F741	K684-F737 HydrophobicContact CD-CE1 4.41Å; T733-F737 HydrophobicContact CG2-CD2 4.08Å; T733-F737 WeakPolarHBondContact O-CB 3.3Å; T733-F737 WeakPolarHBondContact O-CD2 3.36Å; T733-F737 PolarHBondContact O-N 3Å; F737-D739 PolarHBondContact O-N 3.09Å; F737-D739 VanDerWaalsContact O-N 3.16Å; F737-C740 HydrophobicContact CB-CB 4.38Å; F737-C740 WeakPolarHBondContact O-CA 3.3Å; F737-C740 VanDerWaalsContact O-CB 3.24Å; F737-C740 WeakPolarHBondContact O-CB 3.43Å; F737-C740 PolarHBondContact O-N 3.21Å; F737-F741 HydrophobicContact CB-CE1 3.82Å; F737-F741 HydrophobicContact CB-CZ 4.05Å; F737-F741 WeakPolarHBondContact O-CD1 3.34Å; F737-F741 VanDerWaalsContact O-CE1 3.25Å; F737-F741 WeakPolarHBondContact O-CE1 3.39Å; F737-F741 WeakPolarHBondContact O-CZ 3.22Å
738	G	88.2	Confident	83.6	Confident	1 Å²	1	52 Å²	52	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-52.7	-36.6	-178.8	0	0	0	0	0	113.5	Y478 E734 C740	Y478-G738 PolarHBondContact OH-O 3.37Å; E734-G738 WeakPolarHBondContact O-CA 3.42Å; E734-G738 PolarHBondContact O-N 2.92Å; G738-C740 PolarHBondContact O-N 3.18Å
739	D	88.7	Confident	81.7	Confident	42 Å²	42	49.5 Å²	49.5	23%	0.225	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-69	-16.7	176.2	65.6	-19.7	0	0	0	114.7	L458 F737	L458-D739 HydrophobicContact CD1-CB 3.97Å; F737-D739 PolarHBondContact O-N 3.09Å; F737-D739 VanDerWaalsContact O-N 3.16Å
740	C	91.3	Very high	79.8	Confident	8 Å²	8	49.9 Å²	49.9	5%	0.054	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-89.1	-16	-177	-62.9	0	0	0	0	113.1	I683 A695 F737 G738	I683-C740 HydrophobicContact CD1-CB 4.38Å; I683-C740 HydrophobicContact CG2-CB 3.96Å; A695-C740 WeakPolarHBondContact CB-O 3.1Å; F737-C740 HydrophobicContact CB-CB 4.38Å; F737-C740 WeakPolarHBondContact O-CA 3.3Å; F737-C740 VanDerWaalsContact O-CB 3.24Å; F737-C740 WeakPolarHBondContact O-CB 3.43Å; F737-C740 PolarHBondContact O-N 3.21Å; G738-C740 PolarHBondContact O-N 3.18Å
741	F	92.3	Very high	78.3	Confident	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.247	C	C	.	.			trans	-78.1	130.8	-172.9	-47.3	-35.4	0	0	0	111.7	Y478 L589 F697 T733 F737 L744	Y478-F741 HydrophobicContact CE1-CB 4.35Å; Y478-F741 WeakPolarHBondContact OH-CB 3.38Å; Y478-F741 PolarHBondContact OH-O 3.01Å; L589-F741 HydrophobicContact CD1-CD1 4.22Å; L589-F741 HydrophobicContact CD1-CE1 3.64Å; F697-F741 HydrophobicContact CB-CB 4.46Å; F697-F741 HydrophobicContact CB-CD1 3.99Å; F697-F741 HydrophobicContact CB-CD2 3.5Å; F697-F741 VanDerWaalsContact CB-CD2 3.5Å; F697-F741 HydrophobicContact CB-CE1 4.07Å; F697-F741 HydrophobicContact CB-CE2 3.55Å; F697-F741 HydrophobicContact CB-CG 3.72Å; F697-F741 HydrophobicContact CB-CZ 3.86Å; F697-F741 HydrophobicContact CD1-CD2 4.05Å; F697-F741 AromaticContact CD1-CE2 3.47Å; F697-F741 HydrophobicContact CD1-CE2 3.47Å; F697-F741 VanDerWaalsContact CD1-CE2 3.47Å; F697-F741 HydrophobicContact CD1-CZ 4.04Å; F697-F741 HydrophobicContact CD2-CE1 4.35Å; F697-F741 HydrophobicContact CD2-CE2 4.1Å; F697-F741 AromaticContact CD2-CZ 3.83Å; F697-F741 HydrophobicContact CD2-CZ 3.83Å; F697-F741 HydrophobicContact CE1-CE2 4.18Å; F697-F741 HydrophobicContact CE2-CZ 4.41Å; F697-F741 AromaticContact CG-CD2 3.93Å; F697-F741 HydrophobicContact CG-CD2 3.93Å; F697-F741 HydrophobicContact CG-CE1 4.26Å; F697-F741 AromaticContact CG-CE2 3.44Å; F697-F741 HydrophobicContact CG-CE2 3.44Å; F697-F741 VanDerWaalsContact CG-CE2 3.44Å; F697-F741 AromaticContact CG-CZ 3.65Å; F697-F741 HydrophobicContact CG-CZ 3.65Å; T733-F741 HydrophobicContact CG2-CZ 4.21Å; F737-F741 HydrophobicContact CB-CE1 3.82Å; F737-F741 HydrophobicContact CB-CZ 4.05Å; F737-F741 WeakPolarHBondContact O-CD1 3.34Å; F737-F741 VanDerWaalsContact O-CE1 3.25Å; F737-F741 WeakPolarHBondContact O-CE1 3.39Å; F737-F741 WeakPolarHBondContact O-CZ 3.22Å; F741-L744 HydrophobicContact CD2-CD1 4.47Å
742	T	89.1	Confident	77.4	Confident	15 Å²	15	49.4 Å²	49.4	9%	0.092	25%	0.247	C	C	.	.	S	Bend	trans	-80.2	-26.5	168.3	46.1	0	0	0	0	112.9	A695	A695-T742 PolarHBondContact N-OG1 3.21Å; A695-T742 PolarHBondContact O-N 2.84Å; A695-T742 PolarHBondContact O-OG1 3.29Å
743	G	86.5	Confident	76.9	Confident	9 Å²	9	45.1 Å²	45.1	9%	0.093	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.3	178.8	0	0	0	0	0	111.4	A695 I696 F697	A695-G743 PolarHBondContact O-N 2.73Å; A695-G743 VanDerWaalsContact O-N 3.14Å; I696-G743 WeakPolarHBondContact CA-O 3.46Å; F697-G743 PolarHBondContact N-O 3.44Å
744	L	84.2	Confident	76.5	Confident	32 Å²	32	49.2 Å²	49.2	17%	0.168	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.9	-177.8	-178.6	56.9	0	0	0	109.2	Y478 F697 F741 L746	Y478-L744 HydrophobicContact CD1-CB 3.36Å; Y478-L744 HydrophobicContact CD1-CD2 4.01Å; Y478-L744 HydrophobicContact CD1-CG 4.34Å; Y478-L744 HydrophobicContact CD2-CB 4.31Å; Y478-L744 HydrophobicContact CD2-CD2 3.37Å; Y478-L744 HydrophobicContact CD2-CG 4.49Å; Y478-L744 HydrophobicContact CE1-CB 3.71Å; Y478-L744 HydrophobicContact CE1-CD2 4.4Å; Y478-L744 HydrophobicContact CE2-CD2 3.81Å; Y478-L744 HydrophobicContact CG-CB 3.76Å; Y478-L744 HydrophobicContact CG-CD2 3.52Å; Y478-L744 HydrophobicContact CG-CG 4.29Å; F697-L744 HydrophobicContact CB-CD1 4.1Å; F697-L744 HydrophobicContact CD1-CD1 3.49Å; F697-L744 VanDerWaalsContact CD1-CD1 3.49Å; F697-L744 HydrophobicContact CE1-CD1 4.43Å; F697-L744 HydrophobicContact CG-CD1 4.27Å; F741-L744 HydrophobicContact CD2-CD1 4.47Å; L744-L746 HydrophobicContact CD1-CD1 3.97Å; L744-L746 HydrophobicContact CD1-CG 3.77Å; L744-L746 HydrophobicContact CD2-CD1 3.28Å; L744-L746 HydrophobicContact CD2-CG 4Å; L744-L746 HydrophobicContact CG-CB 4.25Å; L744-L746 HydrophobicContact CG-CD1 3.47Å; L744-L746 VanDerWaalsContact CG-CD1 3.47Å; L744-L746 HydrophobicContact CG-CG 3.58Å
745	L	83.4	Confident	76.2	Confident	14 Å²	14	52 Å²	52	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	94.3	-177.6	-55.6	-169.9	0	0	0	108.8	I696 F697 V698 K699 K759 V760	I696-L745 HydrophobicContact CG2-CD1 4.03Å; I696-L745 HydrophobicContact CG2-CG 4.1Å; F697-L745 PolarHBondContact O-N 3.13Å; V698-L745 HydrophobicContact CG2-CD1 4.38Å; K699-L745 PolarHBondContact N-O 3.21Å; L745-K759 HydrophobicContact CD1-CB 4.13Å; L745-K759 HydrophobicContact CD1-CG 4.03Å; L745-K759 HydrophobicContact CD2-CB 4.46Å; L745-K759 HydrophobicContact CD2-CG 3.48Å; L745-K759 VanDerWaalsContact CD2-CG 3.48Å; L745-K759 HydrophobicContact CG-CG 4.4Å; L745-V760 HydrophobicContact CD1-CG2 3.72Å
746	L	64.6	Low	76.2	Confident	35 Å²	35	46.3 Å²	46.3	18%	0.183	24%	0.235	C	C	.	.			trans	-118.1	-1.8	-161.3	-105.6	-177.1	0	0	0	117.2	K699 Y701 L744	K699-L746 HydrophobicContact CB-CD2 3.71Å; K699-L746 HydrophobicContact CB-CG 4.42Å; K699-L746 HydrophobicContact CD-CD2 3.56Å; K699-L746 HydrophobicContact CG-CD2 3.67Å; Y701-L746 WeakPolarHBondContact CB-O 3.39Å; Y701-L746 VanDerWaalsContact CD2-O 3.23Å; Y701-L746 WeakPolarHBondContact CD2-O 3.34Å; L744-L746 HydrophobicContact CD1-CD1 3.97Å; L744-L746 HydrophobicContact CD1-CG 3.77Å; L744-L746 HydrophobicContact CD2-CD1 3.28Å; L744-L746 HydrophobicContact CD2-CG 4Å; L744-L746 HydrophobicContact CG-CB 4.25Å; L744-L746 HydrophobicContact CG-CD1 3.47Å; L744-L746 VanDerWaalsContact CG-CD1 3.47Å; L744-L746 HydrophobicContact CG-CG 3.58Å
747	R	54.4	Low	76.2	Confident	156 Å²	156	43 Å²	43	59%	0.589	22%	0.219	S	C	*	.			trans	-138.6	40.3	-156.6	-73.1	-165.6	-179.4	-153.3	6.7	117	D460	D460-R747 IonicContact OD2-CZ 3.92Å; D460-R747 IonicContact OD2-NE 2.87Å; D460-R747 PolarHBondContact OD2-NE 2.94Å; D460-R747 IonicContact OD2-NH2 2.75Å; D460-R747 PolarHBondContact OD2-NH2 2.87Å
748	Y	50.1	Low	76.2	Confident	85 Å²	85	44.6 Å²	44.6	33%	0.333	23%	0.234	S	C	.	.			trans	-127.4	76.7	-177.8	-59.6	-64.9	0	0	0	112.6	N750 S751	Y748-N750 PolarHBondContact O-N 2.99Å; Y748-S751 WeakPolarHBondContact CB-OG 3.47Å; Y748-S751 WeakPolarHBondContact CD1-OG 3.22Å
749	C	45.6	Very low	76.2	Confident	66 Å²	66	47.5 Å²	47.5	45%	0.446	25%	0.246	S	C	.	.	S	Bend	trans	-64.5	-6.5	171.4	52.7	0	0	0	0	113.9	Y701	Y701-C749 HydrophobicContact CD1-CB 4.07Å
750	N	48.5	Very low	76.4	Confident	141 Å²	141	45.5 Å²	45.5	75%	0.754	24%	0.236	S	C	*	.	S	Bend	trans	-137.3	3.7	176.9	-66.1	-45.8	0	0	0	114.2	Y748 C752	Y748-N750 PolarHBondContact O-N 2.99Å; N750-C752 PolarHBondContact O-N 2.71Å
751	S	58.1	Low	76.6	Confident	7 Å²	7	47.7 Å²	47.7	5%	0.049	24%	0.244	C	C	.	.			trans	-79.3	132.1	-176.6	-66.4	0	0	0	0	111.5	W714 Y748 E755	W714-S751 PolarHBondContact NE1-O 2.91Å; Y748-S751 WeakPolarHBondContact CB-OG 3.47Å; Y748-S751 WeakPolarHBondContact CD1-OG 3.22Å; S751-E755 WeakPolarHBondContact CB-OE2 3.17Å; S751-E755 PolarHBondContact OG-OE2 2.88Å
752	C	66.5	Low	76.5	Confident	51 Å²	51	50 Å²	50	35%	0.345	26%	0.257	S	S	.	.			trans	-66.5	161.1	166.6	70.4	0	0	0	0	110.5	N750 N754 E755 I756	N750-C752 PolarHBondContact O-N 2.71Å; C752-N754 PolarHBondContact O-N 2.91Å; C752-E755 PolarHBondContact O-N 3.06Å; C752-I756 PolarHBondContact O-N 2.82Å
753	I	77.5	Confident	76.7	Confident	17 Å²	17	49.8 Å²	49.8	9%	0.087	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-29.3	177.7	-168.5	171.3	0	0	0	113.5	L592 R595 E755 I756 Y757	L592-I753 HydrophobicContact CD1-CB 4.48Å; L592-I753 HydrophobicContact CD1-CD1 3.78Å; L592-I753 HydrophobicContact CD1-CG1 3.75Å; L592-I753 HydrophobicContact CD2-CD1 4.06Å; L592-I753 HydrophobicContact CG-CD1 4.39Å; R595-I753 VanDerWaalsContact CD-CD1 3.44Å; R595-I753 HydrophobicContact CG-CD1 4.13Å; I753-E755 VanDerWaalsContact C-N 3.3Å; I753-E755 PolarHBondContact O-N 3Å; I753-I756 PolarHBondContact O-N 2.71Å; I753-Y757 WeakPolarHBondContact O-CB 3.34Å; I753-Y757 PolarHBondContact O-N 2.86Å
754	N	81.8	Confident	77.1	Confident	103 Å²	103	49.5 Å²	49.5	55%	0.551	25%	0.252	S	S	*	.	H	α-helix	trans	-65.5	-34.4	-179.8	-61.5	-24.6	0	0	0	112.1	C752 A758	C752-N754 PolarHBondContact O-N 2.91Å; N754-A758 VanDerWaalsContact O-CB 3.26Å; N754-A758 WeakPolarHBondContact O-CB 3.43Å; N754-A758 PolarHBondContact O-N 3.29Å
755	E	82.3	Confident	77.5	Confident	91 Å²	91	56.4 Å²	56.4	43%	0.425	28%	0.275	S	S	.	.	H	α-helix	trans	-72.8	-38.7	175.7	-75.4	173.2	-147	0	0	111.2	S751 C752 I753 Y757 A758 K759	S751-E755 WeakPolarHBondContact CB-OE2 3.17Å; S751-E755 PolarHBondContact OG-OE2 2.88Å; C752-E755 PolarHBondContact O-N 3.06Å; I753-E755 VanDerWaalsContact C-N 3.3Å; I753-E755 PolarHBondContact O-N 3Å; E755-Y757 VanDerWaalsContact C-N 3.34Å; E755-A758 PolarHBondContact O-N 3.27Å; E755-K759 WeakPolarHBondContact O-CB 3.42Å; E755-K759 PolarHBondContact O-N 3.15Å
756	I	85.8	Confident	77.7	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-48	172.4	-60.5	174	0	0	0	109.5	L592 L596 V698 W714 C752 I753 K759 V760	L592-I756 HydrophobicContact CD1-CD1 4.02Å; L596-I756 HydrophobicContact CD1-CG2 4.4Å; V698-I756 HydrophobicContact CG1-CG2 3.93Å; V698-I756 HydrophobicContact CG2-CG2 4.38Å; W714-I756 HydrophobicContact CD2-CD1 3.72Å; W714-I756 HydrophobicContact CE3-CD1 4.1Å; W714-I756 HydrophobicContact CG-CD1 4.28Å; W714-I756 HydrophobicContact CH2-CD1 3.87Å; W714-I756 HydrophobicContact CZ2-CD1 3.51Å; W714-I756 HydrophobicContact CZ3-CD1 4.16Å; C752-I756 PolarHBondContact O-N 2.82Å; I753-I756 PolarHBondContact O-N 2.71Å; I756-K759 PolarHBondContact O-N 3.06Å; I756-V760 WeakPolarHBondContact O-CG2 3.45Å; I756-V760 PolarHBondContact O-N 3.35Å
757	Y	90.6	Very high	79	Confident	16 Å²	16	60.6 Å²	60.6	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-44.7	178	-178.4	-111.8	0	0	0	112.1	L596 D599 L600 E603 I753 E755 K759 V760 K761	L596-Y757 HydrophobicContact CD2-CD2 3.75Å; L596-Y757 HydrophobicContact CD2-CG 4.36Å; D599-Y757 HydrophobicContact CB-CD2 4.23Å; D599-Y757 HydrophobicContact CB-CE2 3.63Å; D599-Y757 PolarHBondContact O-OH 2.99Å; D599-Y757 VanDerWaalsContact O-OH 3.04Å; L600-Y757 HydrophobicContact CD2-CE2 3.93Å; L600-Y757 HydrophobicContact CG-CE2 3.92Å; E603-Y757 VanDerWaalsContact OE2-CE1 3.31Å; E603-Y757 WeakPolarHBondContact OE2-CE1 3.49Å; E603-Y757 PolarHBondContact OE2-OH 3.33Å; I753-Y757 WeakPolarHBondContact O-CB 3.34Å; I753-Y757 PolarHBondContact O-N 2.86Å; E755-Y757 VanDerWaalsContact C-N 3.34Å; Y757-K759 VanDerWaalsContact C-N 3.27Å; Y757-K759 PolarHBondContact O-N 3.17Å; Y757-V760 WeakPolarHBondContact O-CB 3.45Å; Y757-V760 PolarHBondContact O-N 2.95Å; Y757-K761 HydrophobicContact CD1-CD 4.27Å; Y757-K761 HydrophobicContact CE1-CD 3.66Å; Y757-K761 HydrophobicContact CE1-CG 4.34Å; Y757-K761 WeakPolarHBondContact O-CG 3.43Å; Y757-K761 PolarHBondContact O-N 3.47Å
758	A	90.4	Very high	80.7	Confident	42 Å²	42	55.2 Å²	55.2	35%	0.347	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-42.7	173.8	0	0	0	0	0	111.2	N754 E755 K761 D762	N754-A758 VanDerWaalsContact O-CB 3.26Å; N754-A758 WeakPolarHBondContact O-CB 3.43Å; N754-A758 PolarHBondContact O-N 3.29Å; E755-A758 PolarHBondContact O-N 3.27Å; A758-K761 WeakPolarHBondContact O-CB 3.32Å; A758-K761 PolarHBondContact O-N 3.41Å; A758-D762 PolarHBondContact O-N 2.99Å
759	K	88.9	Confident	82.5	Confident	63 Å²	63	52.7 Å²	52.7	27%	0.274	28%	0.28	S	S	.	.	H	α-helix	trans	-68.9	-37.6	178.8	-166.6	62.5	176.2	177.6	0	112.8	L745 E755 I756 Y757 D762 T763	L745-K759 HydrophobicContact CD1-CB 4.13Å; L745-K759 HydrophobicContact CD1-CG 4.03Å; L745-K759 HydrophobicContact CD2-CB 4.46Å; L745-K759 HydrophobicContact CD2-CG 3.48Å; L745-K759 VanDerWaalsContact CD2-CG 3.48Å; L745-K759 HydrophobicContact CG-CG 4.4Å; E755-K759 WeakPolarHBondContact O-CB 3.42Å; E755-K759 PolarHBondContact O-N 3.15Å; I756-K759 PolarHBondContact O-N 3.06Å; Y757-K759 VanDerWaalsContact C-N 3.27Å; Y757-K759 PolarHBondContact O-N 3.17Å; K759-D762 PolarHBondContact O-N 3.14Å; K759-T763 PolarHBondContact O-N 2.82Å; K759-T763 PolarHBondContact O-OG1 3.44Å; K759-T763 VanDerWaalsContact O-OG1 3.06Å
760	V	93.1	Very high	84.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-48.8	170.6	167.6	0	0	0	0	110	I588 L596 L600 I696 V698 L745 I756 Y757 D762 T763 I764	I588-V760 HydrophobicContact CD1-CG1 3.77Å; L596-V760 HydrophobicContact CD1-CG2 4.22Å; L596-V760 HydrophobicContact CD2-CG2 4.46Å; L600-V760 HydrophobicContact CD1-CG1 4.22Å; I696-V760 HydrophobicContact CD1-CG1 4.12Å; I696-V760 HydrophobicContact CG2-CG2 4.33Å; V698-V760 HydrophobicContact CG2-CG2 4.47Å; L745-V760 HydrophobicContact CD1-CG2 3.72Å; I756-V760 WeakPolarHBondContact O-CG2 3.45Å; I756-V760 PolarHBondContact O-N 3.35Å; Y757-V760 WeakPolarHBondContact O-CB 3.45Å; Y757-V760 PolarHBondContact O-N 2.95Å; V760-D762 VanDerWaalsContact C-N 3.34Å; V760-D762 PolarHBondContact O-N 3.22Å; V760-T763 PolarHBondContact O-N 2.91Å; V760-I764 HydrophobicContact CG1-CD1 3.88Å; V760-I764 WeakPolarHBondContact O-CG1 3.45Å; V760-I764 PolarHBondContact O-N 2.88Å
761	K	94.4	Very high	86.4	Confident	53 Å²	53	49.7 Å²	49.7	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-43.8	176.8	-69.2	-166.5	-67	-173.4	0	112	L600 E603 Y604 Y757 A758 I764 R765	L600-K761 HydrophobicContact CD2-CG 3.96Å; E603-K761 IonicContact OE1-NZ 3.4Å; E603-K761 PolarHBondContact OE1-NZ 3.11Å; Y604-K761 HydrophobicContact CD2-CD 4.39Å; Y604-K761 HydrophobicContact CE2-CD 3.48Å; Y604-K761 VanDerWaalsContact CE2-CD 3.48Å; Y604-K761 PolarHBondContact OH-NZ 2.84Å; Y757-K761 HydrophobicContact CD1-CD 4.27Å; Y757-K761 HydrophobicContact CE1-CD 3.66Å; Y757-K761 HydrophobicContact CE1-CG 4.34Å; Y757-K761 WeakPolarHBondContact O-CG 3.43Å; Y757-K761 PolarHBondContact O-N 3.47Å; A758-K761 WeakPolarHBondContact O-CB 3.32Å; A758-K761 PolarHBondContact O-N 3.41Å; K761-I764 PolarHBondContact O-N 3.01Å; K761-R765 WeakPolarHBondContact O-CB 3.21Å; K761-R765 PolarHBondContact O-N 3.46Å
762	D	91.7	Very high	87.9	Confident	51 Å²	51	49.5 Å²	49.5	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-46.2	176	-75.6	-25.1	0	0	0	112	A758 K759 V760 I764 R765 E766	A758-D762 PolarHBondContact O-N 2.99Å; K759-D762 PolarHBondContact O-N 3.14Å; V760-D762 VanDerWaalsContact C-N 3.34Å; V760-D762 PolarHBondContact O-N 3.22Å; D762-I764 PolarHBondContact O-N 3.12Å; D762-R765 PolarHBondContact O-N 2.93Å; D762-R765 IonicContact OD1-CZ 3.66Å; D762-R765 IonicContact OD1-NE 2.71Å; D762-R765 IonicContact OD1-NH2 3.8Å; D762-R765 PolarHBondContact OD1-NH2 2.91Å; D762-E766 WeakPolarHBondContact O-CB 3.39Å; D762-E766 VanDerWaalsContact O-CG 3.23Å; D762-E766 WeakPolarHBondContact O-CG 3.36Å; D762-E766 PolarHBondContact O-N 3.04Å
763	T	91.6	Very high	89.1	Confident	9 Å²	9	49 Å²	49	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-42.5	177.5	-61	0	0	0	0	111.7	I696 K759 V760 E766 Q767	I696-T763 HydrophobicContact CD1-CG2 3.75Å; I696-T763 HydrophobicContact CG1-CG2 3.85Å; K759-T763 PolarHBondContact O-N 2.82Å; K759-T763 PolarHBondContact O-OG1 3.44Å; K759-T763 VanDerWaalsContact O-OG1 3.06Å; V760-T763 PolarHBondContact O-N 2.91Å; T763-E766 PolarHBondContact O-N 3.22Å; T763-Q767 HydrophobicContact CG2-CG 4.23Å; T763-Q767 VanDerWaalsContact O-CB 3.28Å; T763-Q767 WeakPolarHBondContact O-CB 3.41Å; T763-Q767 WeakPolarHBondContact O-CG 3.41Å; T763-Q767 PolarHBondContact O-N 3.24Å
764	I	95.2	Very high	89.7	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-51.1	176	-66	166.1	0	0	0	109.8	V586 L600 F608 I694 I696 V760 K761 D762 E766 Q767 S768	V586-I764 HydrophobicContact CG1-CD1 3.86Å; V586-I764 HydrophobicContact CG1-CG1 4.12Å; V586-I764 HydrophobicContact CG2-CD1 4.24Å; V586-I764 HydrophobicContact CG2-CG1 4.18Å; V586-I764 HydrophobicContact CG2-CG2 4.19Å; L600-I764 HydrophobicContact CD1-CD1 3.75Å; L600-I764 HydrophobicContact CD2-CD1 4.12Å; F608-I764 HydrophobicContact CE1-CD1 4.02Å; F608-I764 HydrophobicContact CE1-CG2 4.03Å; F608-I764 HydrophobicContact CZ-CD1 4.27Å; F608-I764 HydrophobicContact CZ-CG2 4.08Å; I694-I764 HydrophobicContact CD1-CG2 4.22Å; I696-I764 HydrophobicContact CD1-CD1 4.39Å; I696-I764 HydrophobicContact CD1-CG1 3.7Å; V760-I764 HydrophobicContact CG1-CD1 3.88Å; V760-I764 WeakPolarHBondContact O-CG1 3.45Å; V760-I764 PolarHBondContact O-N 2.88Å; K761-I764 PolarHBondContact O-N 3.01Å; D762-I764 PolarHBondContact O-N 3.12Å; I764-E766 VanDerWaalsContact C-N 3.35Å; I764-E766 PolarHBondContact O-N 2.87Å; I764-Q767 CarbonylContact O-C 3.41Å; I764-Q767 PolarHBondContact O-N 3.16Å; I764-Q767 VanDerWaalsContact O-N 3.16Å; I764-S768 WeakPolarHBondContact O-CB 3.38Å; I764-S768 PolarHBondContact O-N 2.87Å; I764-S768 PolarHBondContact O-OG 2.84Å
765	R	92.6	Very high	90.1	Very high	176 Å²	176	46.1 Å²	46.1	66%	0.664	24%	0.242	S	C	*	.	H	α-helix	trans	-57.2	-46	178.8	-179.9	176.6	59.6	170.5	-2.9	112.1	K761 D762 Q767 S768	K761-R765 WeakPolarHBondContact O-CB 3.21Å; K761-R765 PolarHBondContact O-N 3.46Å; D762-R765 PolarHBondContact O-N 2.93Å; D762-R765 IonicContact OD1-CZ 3.66Å; D762-R765 IonicContact OD1-NE 2.71Å; D762-R765 IonicContact OD1-NH2 3.8Å; D762-R765 PolarHBondContact OD1-NH2 2.91Å; R765-Q767 VanDerWaalsContact C-N 3.32Å; R765-Q767 PolarHBondContact O-N 3.5Å; R765-S768 PolarHBondContact O-N 2.95Å
766	E	87.8	Confident	90.3	Very high	83 Å²	83	42.8 Å²	42.8	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-37.4	178.1	-74.9	176.6	-179.7	0	0	112	R500 D762 T763 I764	R500-E766 IonicContact CZ-OE1 3.57Å; R500-E766 VanDerWaalsContact CZ-OE1 3.3Å; R500-E766 IonicContact CZ-OE2 2.59Å; R500-E766 IonicContact NH1-OE1 3.56Å; R500-E766 PolarHBondContact NH1-OE1 3.34Å; R500-E766 IonicContact NH1-OE2 2.94Å; R500-E766 IonicContact NH2-OE1 3.05Å; R500-E766 PolarHBondContact NH2-OE1 3.38Å; R500-E766 IonicContact NH2-OE2 3.48Å; R500-E766 PolarHBondContact NH2-OE2 2.84Å; R500-E766 VanDerWaalsContact NH2-OE2 3.15Å; D762-E766 WeakPolarHBondContact O-CB 3.39Å; D762-E766 VanDerWaalsContact O-CG 3.23Å; D762-E766 WeakPolarHBondContact O-CG 3.36Å; D762-E766 PolarHBondContact O-N 3.04Å; T763-E766 PolarHBondContact O-N 3.22Å; I764-E766 VanDerWaalsContact C-N 3.35Å; I764-E766 PolarHBondContact O-N 2.87Å
767	Q	91.2	Very high	89.9	Confident	55 Å²	55	51.9 Å²	51.9	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-91	-0.9	-176.3	-64.4	-64.9	-34.4	0	0	113.8	R584 I694 T763 I764 R765 G769	R584-Q767 WeakPolarHBondContact CD-O 3.48Å; R584-Q767 PolarHBondContact NH1-O 3.07Å; I694-Q767 HydrophobicContact CD1-CB 3.88Å; I694-Q767 HydrophobicContact CG1-CB 3.87Å; I694-Q767 HydrophobicContact CG2-CB 3.89Å; I694-Q767 HydrophobicContact CG2-CG 4.3Å; T763-Q767 HydrophobicContact CG2-CG 4.23Å; T763-Q767 VanDerWaalsContact O-CB 3.28Å; T763-Q767 WeakPolarHBondContact O-CB 3.41Å; T763-Q767 WeakPolarHBondContact O-CG 3.41Å; T763-Q767 PolarHBondContact O-N 3.24Å; I764-Q767 CarbonylContact O-C 3.41Å; I764-Q767 PolarHBondContact O-N 3.16Å; I764-Q767 VanDerWaalsContact O-N 3.16Å; R765-Q767 VanDerWaalsContact C-N 3.32Å; R765-Q767 PolarHBondContact O-N 3.5Å; Q767-G769 VanDerWaalsContact C-N 3.32Å; Q767-G769 PolarHBondContact O-N 3.5Å
768	S	91.7	Very high	88.6	Confident	43 Å²	43	55.2 Å²	55.2	30%	0.301	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.8	-176.4	-66.5	0	0	0	0	114.5	H673 I764 R765	H673-S768 PolarHBondContact CE1-OG 3.11Å; H673-S768 PolarHBondContact NE2-OG 3.46Å; I764-S768 WeakPolarHBondContact O-CB 3.38Å; I764-S768 PolarHBondContact O-N 2.87Å; I764-S768 PolarHBondContact O-OG 2.84Å; R765-S768 PolarHBondContact O-N 2.95Å
769	G	86.3	Confident	87.3	Confident	32 Å²	32	64.7 Å²	64.7	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	-61.6	157.3	177.6	0	0	0	0	0	113.6	Q767 V771	Q767-G769 VanDerWaalsContact C-N 3.32Å; Q767-G769 PolarHBondContact O-N 3.5Å; G769-V771 VanDerWaalsContact C-N 3.3Å; G769-V771 PolarHBondContact O-N 2.88Å
770	P	86.6	Confident	85.9	Confident	70 Å²	70	67.1 Å²	67.1	46%	0.455	33%	0.33	S	S	.	.	S	Bend	trans	-73.2	-22.5	-176.6	30.5	-36	0	0	0	113	Y579 L580	Y579-P770 CarbonylContact C-O 3.48Å; Y579-P770 WeakPolarHBondContact CA-O 3.33Å; Y579-P770 HydrophobicContact CD2-CB 4.23Å; Y579-P770 HydrophobicContact CE2-CB 3.69Å; Y579-P770 HydrophobicContact CE2-CG 4.22Å; L580-P770 PolarHBondContact N-O 3.4Å
771	V	89.4	Confident	85.5	Confident	73 Å²	73	70.5 Å²	70.5	44%	0.442	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.2	176.1	-177.5	0	0	0	0	108.4	Q577 Y579 G769	Q577-V771 HydrophobicContact CB-CG1 4.05Å; Q577-V771 HydrophobicContact CG-CG1 4.32Å; Y579-V771 HydrophobicContact CD2-CG2 4.12Å; G769-V771 VanDerWaalsContact C-N 3.3Å; G769-V771 PolarHBondContact O-N 2.88Å
772	V	90.9	Very high	85	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.024	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.1	-179.2	-58.9	0	0	0	0	111.1	Q577 Q578 L580 I774	Q577-V772 CarbonylContact C-O 3.18Å; Q577-V772 WeakPolarHBondContact CA-O 3.35Å; Q578-V772 HydrophobicContact CB-CG2 4.35Å; Q578-V772 PolarHBondContact N-O 2.87Å; Q578-V772 WeakPolarHBondContact O-CG2 3.31Å; Q578-V772 PolarHBondContact O-N 3.37Å; L580-V772 HydrophobicContact CD1-CB 4.3Å; L580-V772 HydrophobicContact CD1-CG1 3.62Å; L580-V772 HydrophobicContact CD1-CG2 3.68Å; L580-V772 HydrophobicContact CD2-CG2 4.03Å; L580-V772 HydrophobicContact CG-CG1 4.14Å; L580-V772 HydrophobicContact CG-CG2 3.69Å; V772-I774 HydrophobicContact CG2-CG2 3.86Å
773	W	90.9	Very high	84.7	Confident	40 Å²	40	72.6 Å²	72.6	15%	0.152	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.9	170	-69	97	0	0	0	109.7	F454 R456 I481 V575 E576 Q577	F454-W773 HydrophobicContact CB-CE3 4.36Å; F454-W773 HydrophobicContact CB-CH2 3.84Å; F454-W773 HydrophobicContact CB-CZ3 3.45Å; F454-W773 VanDerWaalsContact CB-CZ3 3.45Å; F454-W773 AromaticContact CD1-CH2 3.48Å; F454-W773 HydrophobicContact CD1-CH2 3.48Å; F454-W773 VanDerWaalsContact CD1-CH2 3.48Å; F454-W773 HydrophobicContact CD1-CZ2 4.35Å; F454-W773 HydrophobicContact CD1-CZ3 4.05Å; F454-W773 AromaticContact CD2-CH2 3.83Å; F454-W773 HydrophobicContact CD2-CH2 3.83Å; F454-W773 AromaticContact CD2-CZ3 3.9Å; F454-W773 HydrophobicContact CD2-CZ3 3.9Å; F454-W773 AromaticContact CE1-CH2 3.92Å; F454-W773 HydrophobicContact CE1-CH2 3.92Å; F454-W773 HydrophobicContact CE2-CH2 4.23Å; F454-W773 AromaticContact CG-CH2 3.43Å; F454-W773 HydrophobicContact CG-CH2 3.43Å; F454-W773 VanDerWaalsContact CG-CH2 3.43Å; F454-W773 AromaticContact CG-CZ3 3.54Å; F454-W773 HydrophobicContact CG-CZ3 3.54Å; F454-W773 HydrophobicContact CZ-CH2 4.28Å; R456-W773 VanDerWaalsContact NH2-CB 3.27Å; R456-W773 PolarHBondContact NH2-O 3.29Å; I481-W773 HydrophobicContact CD1-CB 4.01Å; I481-W773 HydrophobicContact CD1-CD2 4.17Å; I481-W773 HydrophobicContact CD1-CG 3.78Å; I481-W773 HydrophobicContact CG1-CD2 4.16Å; I481-W773 HydrophobicContact CG1-CG 3.94Å; I481-W773 HydrophobicContact CG2-CD2 4.03Å; I481-W773 HydrophobicContact CG2-CE3 4.28Å; I481-W773 HydrophobicContact CG2-CH2 3.96Å; I481-W773 HydrophobicContact CG2-CZ2 3.73Å; I481-W773 HydrophobicContact CG2-CZ3 4.24Å; V575-W773 HydrophobicContact CB-CB 4.4Å; V575-W773 HydrophobicContact CB-CE3 3.95Å; V575-W773 HydrophobicContact CG2-CD2 4.27Å; V575-W773 HydrophobicContact CG2-CE3 3.52Å; V575-W773 HydrophobicContact CG2-CZ3 4.05Å; E576-W773 WeakPolarHBondContact O-CA 3.46Å; Q577-W773 HydrophobicContact CG-CD2 3.88Å; Q577-W773 HydrophobicContact CG-CE3 3.73Å; Q577-W773 HydrophobicContact CG-CH2 3.36Å; Q577-W773 HydrophobicContact CG-CZ2 3.46Å; Q577-W773 VanDerWaalsContact CG-CZ2 3.46Å; Q577-W773 HydrophobicContact CG-CZ3 3.48Å; Q577-W773 VanDerWaalsContact CG-CZ3 3.48Å; Q577-W773 VanDerWaalsContact NE2-CZ2 3.3Å
774	I	91.2	Very high	84.3	Confident	13 Å²	13	76.3 Å²	76.3	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154	177	57.4	146.9	0	0	0	110.5	V575 E576 Q578 F692 V772 S776	V575-I774 CarbonylContact C-O 3.23Å; V575-I774 WeakPolarHBondContact CA-O 3.43Å; V575-I774 VanDerWaalsContact CB-O 3.26Å; V575-I774 WeakPolarHBondContact CB-O 3.21Å; V575-I774 WeakPolarHBondContact CG1-O 3.44Å; E576-I774 HydrophobicContact CG-CD1 3.99Å; E576-I774 HydrophobicContact CG-CG1 3.77Å; E576-I774 PolarHBondContact N-O 2.73Å; E576-I774 PolarHBondContact O-N 2.9Å; Q578-I774 HydrophobicContact CB-CD1 4.22Å; Q578-I774 HydrophobicContact CB-CG1 4.02Å; Q578-I774 HydrophobicContact CB-CG2 4.42Å; F692-I774 HydrophobicContact CB-CG2 4.36Å; F692-I774 HydrophobicContact CD1-CB 4.25Å; F692-I774 HydrophobicContact CD1-CG2 3.51Å; F692-I774 HydrophobicContact CD2-CG2 3.79Å; F692-I774 HydrophobicContact CE1-CB 3.97Å; F692-I774 HydrophobicContact CE1-CD1 4.49Å; F692-I774 HydrophobicContact CE1-CG2 3.61Å; F692-I774 HydrophobicContact CE2-CG2 3.88Å; F692-I774 HydrophobicContact CG-CG2 3.61Å; F692-I774 HydrophobicContact CZ-CB 4.24Å; F692-I774 HydrophobicContact CZ-CD1 4.05Å; F692-I774 HydrophobicContact CZ-CG2 3.79Å; V772-I774 HydrophobicContact CG2-CG2 3.86Å; I774-S776 PolarHBondContact O-N 2.85Å
775	P	89.8	Confident	83.6	Confident	46 Å²	46	80.8 Å²	80.8	30%	0.299	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	128.8	172.8	-20.4	31.9	0	0	0	110.7	L573	L573-P775 HydrophobicContact CD1-CB 4.42Å; L573-P775 HydrophobicContact CD2-CB 4.22Å; L573-P775 HydrophobicContact CD2-CG 4.02Å; L573-P775 HydrophobicContact CG-CB 4.43Å
776	S	87	Confident	83	Confident	22 Å²	22	74.5 Å²	74.5	15%	0.154	38%	0.379	C	S	.	.			trans	-74	152.1	174	177.7	0	0	0	0	110.3	P574 I774 E778	P574-S776 PolarHBondContact O-N 2.87Å; I774-S776 PolarHBondContact O-N 2.85Å; S776-E778 PolarHBondContact O-N 2.86Å; S776-E778 WeakPolarHBondContact OG-CB 3.26Å; S776-E778 PolarHBondContact OG-N 3.44Å
777	Q	75.9	Confident	82.6	Confident	194 Å²	194	73.9 Å²	73.9	91%	0.907	38%	0.379	S	S	*	.	S	Bend	trans	-73	-12.5	168.8	-63.8	-170.5	-1.9	0	0	112.5
778	E	63.5	Low	82	Confident	87 Å²	87	75.3 Å²	75.3	41%	0.407	39%	0.388	S	S	.	.	S	Bend	trans	-74.5	141.5	178	-62.3	-175.8	164.3	0	0	111	R451 P574 S776	R451-E778 IonicContact CZ-OE1 2.71Å; R451-E778 IonicContact NH1-OE1 2.91Å; R451-E778 PolarHBondContact NH1-OE1 3.41Å; P574-E778 WeakPolarHBondContact CG-O 3.43Å; S776-E778 PolarHBondContact O-N 2.86Å; S776-E778 WeakPolarHBondContact OG-CB 3.26Å; S776-E778 PolarHBondContact OG-N 3.44Å
779	R	62.7	Low	81.2	Confident	240 Å²	240	78 Å²	78	91%	0.906	40%	0.395	S	S	*	.			trans	-96.2	140.3	172.5	-65.5	-174.6	178.9	-176.3	-1.3	108.9
780	L	59.8	Low	80.7	Confident	115 Å²	115	82.2 Å²	82.2	60%	0.602	40%	0.401	S	S	*	.			trans	-62.6	0	174.8	-77.5	168.6	0	0	0	112.9	L453 V455 W493 Y572 P574	L453-L780 HydrophobicContact CD1-CD2 3.93Å; L453-L780 HydrophobicContact CD2-CD2 3.96Å; L453-L780 HydrophobicContact CG-CD2 4.41Å; V455-L780 HydrophobicContact CG1-CD1 4.33Å; V455-L780 HydrophobicContact CG1-CD2 3.71Å; W493-L780 HydrophobicContact CH2-CD1 4.26Å; W493-L780 HydrophobicContact CH2-CD2 3.9Å; W493-L780 HydrophobicContact CH2-CG 4.48Å; W493-L780 HydrophobicContact CZ3-CD2 4.26Å; Y572-L780 WeakPolarHBondContact O-CD1 3.4Å; P574-L780 HydrophobicContact CB-CD2 4.3Å; P574-L780 HydrophobicContact CB-CG 4.12Å; P574-L780 HydrophobicContact CG-CD1 4.39Å; P574-L780 HydrophobicContact CG-CG 3.9Å

Retrieved 780 of 780 residues in 252.4 ms (Link to these results)

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