A0A5K4F9X7_SCHMA Loading...

DCAF15_WD40 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9X7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 710 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	47.4	Very low	56.4	Low	148 Å²	148	125.4 Å²	125.4	73%	0.729	59%	0.586	S	S	*	*				0	-66.1	0	-154.3	170.5	142.9	0	0	113.9	R3 W4 L5	M1-R3 PolarHBondContact O-N 2.93Å; M1-W4 WeakPolarHBondContact O-CA 3.44Å; M1-W4 WeakPolarHBondContact O-CB 3.37Å; M1-W4 PolarHBondContact O-N 3.5Å; M1-L5 HydrophobicContact CE-CD1 4.11Å; M1-L5 HydrophobicContact CG-CD1 4.15Å; M1-L5 PolarHBondContact O-N 2.89Å
2	I	52.9	Low	55.6	Low	131 Å²	131	123.4 Å²	123.4	67%	0.672	60%	0.596	S	S	*	*	H	α-helix	trans	-57.9	-45.6	-176.2	-62.6	174.8	0	0	0	112.8	W4 L5 Q6	I2-W4 VanDerWaalsContact C-N 3.26Å; I2-W4 PolarHBondContact O-N 3.28Å; I2-L5 PolarHBondContact O-N 3.22Å; I2-Q6 WeakPolarHBondContact O-CB 3.38Å; I2-Q6 PolarHBondContact O-N 3.31Å
3	R	52.1	Low	54.6	Low	214 Å²	214	120.5 Å²	120.5	81%	0.808	59%	0.591	S	S	*	*	H	α-helix	trans	-60.9	-32.5	174.3	-85.2	-176.6	177.8	164.6	-0.8	113.8	M1 N7	M1-R3 PolarHBondContact O-N 2.93Å; R3-N7 WeakPolarHBondContact O-CB 3.2Å; R3-N7 PolarHBondContact O-N 3.39Å
4	W	55.7	Low	54	Low	111 Å²	111	123.3 Å²	123.3	42%	0.42	60%	0.601	S	S	.	*	H	α-helix	trans	-75.4	-43.4	177.1	175.5	85.7	0	0	0	111.1	M1 I2 Q6 N7 R8 P17	M1-W4 WeakPolarHBondContact O-CA 3.44Å; M1-W4 WeakPolarHBondContact O-CB 3.37Å; M1-W4 PolarHBondContact O-N 3.5Å; I2-W4 VanDerWaalsContact C-N 3.26Å; I2-W4 PolarHBondContact O-N 3.28Å; W4-Q6 VanDerWaalsContact C-N 3.31Å; W4-Q6 PolarHBondContact O-N 2.96Å; W4-N7 PolarHBondContact O-N 2.97Å; W4-R8 WeakPolarHBondContact O-CB 3.48Å; W4-R8 PolarHBondContact O-N 3.36Å; W4-P17 HydrophobicContact CZ2-CB 3.89Å; W4-P17 HydrophobicContact CZ2-CG 4.16Å
5	L	54.9	Low	53	Low	75 Å²	75	120.5 Å²	120.5	39%	0.393	60%	0.599	S	S	.	*	H	α-helix	trans	-59	-44.1	173.1	-74	168.6	0	0	0	111	M1 I2 R8 E9	M1-L5 HydrophobicContact CE-CD1 4.11Å; M1-L5 HydrophobicContact CG-CD1 4.15Å; M1-L5 PolarHBondContact O-N 2.89Å; I2-L5 PolarHBondContact O-N 3.22Å; L5-R8 PolarHBondContact O-N 2.86Å; L5-E9 PolarHBondContact O-N 3.17Å
6	Q	60.8	Low	52	Low	105 Å²	105	121.3 Å²	121.3	49%	0.491	61%	0.612	S	S	.	*	H	α-helix	trans	-61.5	-45.5	173.2	-86.6	-177.6	-41.3	0	0	112.3	I2 W4 R8 E9 L10	I2-Q6 WeakPolarHBondContact O-CB 3.38Å; I2-Q6 PolarHBondContact O-N 3.31Å; W4-Q6 VanDerWaalsContact C-N 3.31Å; W4-Q6 PolarHBondContact O-N 2.96Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 2.94Å; Q6-E9 PolarHBondContact O-N 3.32Å; Q6-L10 VanDerWaalsContact O-CB 3.29Å; Q6-L10 WeakPolarHBondContact O-CB 3.43Å; Q6-L10 WeakPolarHBondContact O-CD1 3.45Å; Q6-L10 WeakPolarHBondContact O-CG 3.42Å; Q6-L10 PolarHBondContact O-N 2.99Å
7	N	54.6	Low	51.2	Low	102 Å²	102	116.6 Å²	116.6	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-64.3	-34.3	176.2	-93.4	-4.6	0	0	0	112.4	R3 W4 L10 T11	R3-N7 WeakPolarHBondContact O-CB 3.2Å; R3-N7 PolarHBondContact O-N 3.39Å; W4-N7 PolarHBondContact O-N 2.97Å; N7-L10 PolarHBondContact O-N 3.3Å; N7-T11 WeakPolarHBondContact O-CB 3.45Å; N7-T11 VanDerWaalsContact O-CG2 3.31Å; N7-T11 WeakPolarHBondContact O-CG2 3.4Å; N7-T11 PolarHBondContact O-N 3.4Å; N7-T11 PolarHBondContact O-OG1 3.01Å
8	R	52	Low	50.6	Low	115 Å²	115	114.9 Å²	114.9	43%	0.434	59%	0.593	S	S	.	*	H	α-helix	trans	-69.8	-40.5	177.1	-168.5	-179.9	132.9	158.6	-1.2	111.8	W4 L5 Q6 L10 S12	W4-R8 WeakPolarHBondContact O-CB 3.48Å; W4-R8 PolarHBondContact O-N 3.36Å; L5-R8 PolarHBondContact O-N 2.86Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 2.94Å; R8-L10 VanDerWaalsContact C-N 3.35Å; R8-S12 PolarHBondContact O-N 2.71Å
9	E	59.4	Low	50	Low	166 Å²	166	113.6 Å²	113.6	78%	0.776	59%	0.585	S	S	*	*	H	α-helix	trans	-64	-39.8	170.5	-85.8	-174.6	148.1	0	0	112	L5 Q6	L5-E9 PolarHBondContact O-N 3.17Å; Q6-E9 PolarHBondContact O-N 3.32Å
10	L	67.2	Low	49.3	Very low	138 Å²	138	114.1 Å²	114.1	72%	0.723	59%	0.588	S	S	*	*	H	α-helix	trans	-74.8	-30.1	-177.5	-75.2	164.1	0	0	0	113.9	Q6 N7 R8	Q6-L10 VanDerWaalsContact O-CB 3.29Å; Q6-L10 WeakPolarHBondContact O-CB 3.43Å; Q6-L10 WeakPolarHBondContact O-CD1 3.45Å; Q6-L10 WeakPolarHBondContact O-CG 3.42Å; Q6-L10 PolarHBondContact O-N 2.99Å; N7-L10 PolarHBondContact O-N 3.3Å; R8-L10 VanDerWaalsContact C-N 3.35Å
11	T	63	Low	49	Very low	74 Å²	74	114.4 Å²	114.4	45%	0.454	59%	0.59	S	S	.	*	H	α-helix	trans	-102.2	-11.6	-172	57.3	0	0	0	0	114.6	N7 V13	N7-T11 WeakPolarHBondContact O-CB 3.45Å; N7-T11 VanDerWaalsContact O-CG2 3.31Å; N7-T11 WeakPolarHBondContact O-CG2 3.4Å; N7-T11 PolarHBondContact O-N 3.4Å; N7-T11 PolarHBondContact O-OG1 3.01Å; T11-V13 WeakPolarHBondContact O-CG2 3.25Å; T11-V13 PolarHBondContact O-N 2.82Å
12	S	47.6	Very low	48.5	Very low	102 Å²	102	111.6 Å²	111.6	71%	0.713	59%	0.586	S	S	*	*			trans	50.8	9.3	-176.1	66.2	0	0	0	0	116.5	R8 H14	R8-S12 PolarHBondContact O-N 2.71Å; S12-H14 PolarHBondContact O-N 3.49Å
13	V	42	Very low	48.1	Very low	86 Å²	86	108.7 Å²	108.7	52%	0.521	58%	0.576	S	S	.	*			trans	-83.3	109	177.3	-174.9	0	0	0	0	109.5	T11 S15	T11-V13 WeakPolarHBondContact O-CG2 3.25Å; T11-V13 PolarHBondContact O-N 2.82Å; V13-S15 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact O-N 3.09Å
14	H	46.1	Very low	48.2	Very low	159 Å²	159	101.9 Å²	101.9	74%	0.736	57%	0.572	S	S	*	*			trans	-80.5	48.4	171.8	-67.3	-36.8	0	0	0	112.6	S12 V16	S12-H14 PolarHBondContact O-N 3.49Å; H14-V16 PolarHBondContact O-N 3.35Å
15	S	39.3	Very low	48.7	Very low	81 Å²	81	98.8 Å²	98.8	57%	0.566	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-74.5	123.7	167.1	56.2	0	0	0	0	108.7	V13	V13-S15 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact O-N 3.09Å
16	V	37.5	Very low	50	Low	133 Å²	133	101 Å²	101	81%	0.806	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-47.2	125.4	168	-178.8	0	0	0	0	107.3	H14 S18	H14-V16 PolarHBondContact O-N 3.35Å; V16-S18 PolarHBondContact O-N 3.42Å
17	P	38.1	Very low	51.1	Low	43 Å²	43	99.4 Å²	99.4	28%	0.279	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-59.4	136.1	-172.9	22.8	-29.9	0	0	0	109.1	W4 M19	W4-P17 HydrophobicContact CZ2-CB 3.89Å; W4-P17 HydrophobicContact CZ2-CG 4.16Å; P17-M19 HydrophobicContact CG-CG 4.48Å; P17-M19 PolarHBondContact O-N 2.83Å
18	S	40.2	Very low	52.7	Low	86 Å²	86	95.9 Å²	95.9	60%	0.601	55%	0.55	S	S	*	.			trans	-58.2	98.4	146.3	56.7	0	0	0	0	105	V16 D20	V16-S18 PolarHBondContact O-N 3.42Å; S18-D20 PolarHBondContact O-N 3.12Å
19	M	39.2	Very low	54.5	Low	90 Å²	90	92.6 Å²	92.6	44%	0.443	54%	0.539	S	S	.	.			trans	-55.8	101.5	-178.2	-90.6	-109.7	166.6	0	0	109.1	P17 L21 Q703 G704	P17-M19 HydrophobicContact CG-CG 4.48Å; P17-M19 PolarHBondContact O-N 2.83Å; M19-L21 VanDerWaalsContact C-N 3.25Å; M19-L21 PolarHBondContact O-N 3.44Å; M19-Q703 WeakPolarHBondContact CE-O 3.4Å; M19-G704 WeakPolarHBondContact CE-O 3.36Å
20	D	36.9	Very low	55.9	Low	122 Å²	122	84.8 Å²	84.8	65%	0.652	50%	0.503	S	S	*	.			trans	-70.3	93.2	160.9	-160.1	-15.7	0	0	0	105.3	S18 S22 C23	S18-D20 PolarHBondContact O-N 3.12Å; D20-S22 PolarHBondContact O-N 3.21Å; D20-S22 WeakPolarHBondContact OD1-CB 3.44Å; D20-S22 PolarHBondContact OD1-OG 3.12Å; D20-S22 PolarHBondContact OD2-OG 3.1Å; D20-C23 PolarHBondContact O-N 2.8Å
21	L	42	Very low	56.8	Low	121 Å²	121	85.7 Å²	85.7	63%	0.634	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-1.6	177.3	-80.2	155	0	0	0	113.1	M19 C23 L25	M19-L21 VanDerWaalsContact C-N 3.25Å; M19-L21 PolarHBondContact O-N 3.44Å; L21-C23 VanDerWaalsContact C-N 3.3Å; L21-C23 PolarHBondContact O-N 2.82Å; L21-L25 HydrophobicContact CD2-CD1 4.45Å
22	S	37.2	Very low	58	Low	90 Å²	90	88.2 Å²	88.2	63%	0.629	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.1	173.4	61.6	0	0	0	0	114.3	D20 G24	D20-S22 PolarHBondContact O-N 3.21Å; D20-S22 WeakPolarHBondContact OD1-CB 3.44Å; D20-S22 PolarHBondContact OD1-OG 3.12Å; D20-S22 PolarHBondContact OD2-OG 3.1Å; S22-G24 PolarHBondContact O-N 2.87Å
23	C	44.6	Very low	60.1	Low	70 Å²	70	83.6 Å²	83.6	47%	0.473	47%	0.47	S	S	.	.	S	Bend	trans	-80.2	95.5	161.9	-82.1	0	0	0	0	108.6	D20 L21 L25	D20-C23 PolarHBondContact O-N 2.8Å; L21-C23 VanDerWaalsContact C-N 3.3Å; L21-C23 PolarHBondContact O-N 2.82Å; C23-L25 PolarHBondContact O-N 2.97Å
24	G	53.5	Low	62.3	Low	70 Å²	70	79.7 Å²	79.7	72%	0.722	45%	0.446	S	S	*	.			trans	-47	127.8	-170.5	0	0	0	0	0	114.1	S22 K26	S22-G24 PolarHBondContact O-N 2.87Å; G24-K26 PolarHBondContact O-N 2.87Å
25	L	67.4	Low	64.2	Low	47 Å²	47	73.5 Å²	73.5	25%	0.246	42%	0.421	C	S	.	.			trans	-53.7	132.2	172.9	-64.7	166.3	0	0	0	109.4	L21 C23 S27 V700	L21-L25 HydrophobicContact CD2-CD1 4.45Å; C23-L25 PolarHBondContact O-N 2.97Å; L25-S27 PolarHBondContact O-N 3.37Å; L25-S27 VanDerWaalsContact O-N 3.12Å; L25-S27 PolarHBondContact O-OG 3.48Å; L25-V700 HydrophobicContact CD1-CG1 4.19Å
26	K	80.7	Confident	66.3	Low	122 Å²	122	77.2 Å²	77.2	53%	0.53	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	111.1	172.2	-171.8	178.7	-177.5	-169.8	0	108.2	G24 Y28 G705 Y706 S707	G24-K26 PolarHBondContact O-N 2.87Å; K26-Y28 HydrophobicContact CD-CE2 4.11Å; K26-Y28 WeakPolarHBondContact CE-OH 3.34Å; K26-Y28 HydrophobicContact CG-CE2 4.11Å; K26-Y28 PolarHBondContact NZ-OH 3.07Å; K26-Y28 VanDerWaalsContact NZ-OH 3.1Å; K26-G705 PolarHBondContact N-O 3.46Å; K26-Y706 HydrophobicContact CB-CD1 3.9Å; K26-Y706 HydrophobicContact CB-CE1 4.21Å; K26-Y706 HydrophobicContact CD-CD1 4.42Å; K26-Y706 HydrophobicContact CD-CE1 4.06Å; K26-Y706 HydrophobicContact CG-CD1 4.49Å; K26-Y706 WeakPolarHBondContact O-CA 3.39Å; K26-S707 PolarHBondContact O-N 3.39Å; K26-S707 VanDerWaalsContact O-N 3.12Å
27	S	84.7	Confident	68.4	Low	71 Å²	71	75.3 Å²	75.3	50%	0.497	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.2	-173.6	-48.6	0	0	0	0	112.4	L25 S707	L25-S27 PolarHBondContact O-N 3.37Å; L25-S27 VanDerWaalsContact O-N 3.12Å; L25-S27 PolarHBondContact O-OG 3.48Å; S27-S707 CarbonylContact C-O 3.56Å; S27-S707 VanDerWaalsContact CA-O 3.25Å; S27-S707 WeakPolarHBondContact CA-O 3.34Å; S27-S707 WeakPolarHBondContact CA-OG 3.21Å; S27-S707 WeakPolarHBondContact CB-OG 3.37Å; S27-S707 PolarHBondContact OG-OG 3.23Å
28	Y	88.4	Confident	70.7	Confident	28 Å²	28	73.2 Å²	73.2	11%	0.11	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.9	171.3	-70.9	-88.4	0	0	0	110	K26 I33 F70 P72 P80 Y706 S707 V708 Y709	K26-Y28 HydrophobicContact CD-CE2 4.11Å; K26-Y28 WeakPolarHBondContact CE-OH 3.34Å; K26-Y28 HydrophobicContact CG-CE2 4.11Å; K26-Y28 PolarHBondContact NZ-OH 3.07Å; K26-Y28 VanDerWaalsContact NZ-OH 3.1Å; Y28-I33 HydrophobicContact CD1-CG2 3.66Å; Y28-I33 HydrophobicContact CE1-CG2 4.42Å; Y28-I33 HydrophobicContact CG-CG2 4.37Å; Y28-F70 AromaticContact CD2-CZ 3.81Å; Y28-F70 HydrophobicContact CD2-CZ 3.81Å; Y28-F70 HydrophobicContact CE2-CZ 4.06Å; Y28-P72 HydrophobicContact CD1-CG 3.96Å; Y28-P72 HydrophobicContact CE1-CG 3.66Å; Y28-P80 HydrophobicContact CE1-CG 4.37Å; Y28-Y706 HydrophobicContact CD2-CD1 4.37Å; Y28-Y706 AromaticContact CE2-CD1 3.8Å; Y28-Y706 HydrophobicContact CE2-CD1 3.8Å; Y28-Y706 HydrophobicContact CE2-CE1 4.13Å; Y28-S707 PolarHBondContact N-O 3.36Å; Y28-V708 WeakPolarHBondContact O-CA 3.49Å; Y28-Y709 WeakPolarHBondContact O-CD1 3.47Å; Y28-Y709 WeakPolarHBondContact O-CE1 3.48Å; Y28-Y709 PolarHBondContact O-N 3.25Å
29	H	89.4	Confident	72.7	Confident	46 Å²	46	71.7 Å²	71.7	21%	0.213	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.2	169.3	-169.9	-36	0	0	0	108.7	R31 Q32 I33 Y709 W710	H29-R31 VanDerWaalsContact C-N 3.34Å; H29-R31 PolarHBondContact ND1-N 3.33Å; H29-R31 PolarHBondContact O-N 2.82Å; H29-Q32 HydrophobicContact CB-CB 4.25Å; H29-Q32 HydrophobicContact CB-CG 3.89Å; H29-Q32 WeakPolarHBondContact O-CB 3.46Å; H29-Q32 PolarHBondContact O-N 3.3Å; H29-I33 PolarHBondContact O-N 2.97Å; H29-Y709 WeakPolarHBondContact CA-O 3.32Å; H29-Y709 HydrophobicContact CB-CD2 4.48Å; H29-Y709 HydrophobicContact CB-CE1 4.38Å; H29-Y709 HydrophobicContact CB-CE2 3.79Å; H29-Y709 AromaticContact CD2-CE2 3.61Å; H29-Y709 AromaticContact CG-CE2 3.74Å; H29-W710 PolarHBondContact CE1-OXT 3.29Å
30	L	88.6	Confident	74.7	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	40%	0.397	C	S	.	.	H	α-helix	trans	-56.2	-46.6	-172.1	-175.2	49	0	0	0	112	Q32 I33 L34 F43 L53 L82 V708 Y709	L30-Q32 PolarHBondContact O-N 3.17Å; L30-Q32 VanDerWaalsContact O-N 3.17Å; L30-I33 HydrophobicContact CD1-CD1 4.43Å; L30-I33 HydrophobicContact CD1-CG1 4.35Å; L30-I33 VanDerWaalsContact O-CG1 3.32Å; L30-I33 WeakPolarHBondContact O-CG1 3.49Å; L30-I33 PolarHBondContact O-N 2.89Å; L30-L34 HydrophobicContact CD1-CD1 3.81Å; L30-L34 HydrophobicContact CD1-CG 3.84Å; L30-L34 HydrophobicContact CD2-CD1 4.36Å; L30-L34 HydrophobicContact CG-CD1 3.55Å; L30-L34 HydrophobicContact CG-CG 4.15Å; L30-L34 VanDerWaalsContact O-CB 3.28Å; L30-L34 WeakPolarHBondContact O-CB 3.35Å; L30-L34 WeakPolarHBondContact O-CG 3.28Å; L30-L34 PolarHBondContact O-N 2.8Å; L30-F43 HydrophobicContact CD1-CD1 4.47Å; L30-F43 HydrophobicContact CD1-CE1 4.34Å; L30-F43 HydrophobicContact CD1-CE2 4.45Å; L30-F43 HydrophobicContact CD1-CZ 4.34Å; L30-F43 HydrophobicContact CD2-CB 4.26Å; L30-F43 HydrophobicContact CD2-CD2 3.81Å; L30-F43 HydrophobicContact CD2-CE2 4.34Å; L30-F43 HydrophobicContact CD2-CG 3.92Å; L30-L53 HydrophobicContact CD1-CD2 3.98Å; L30-L82 HydrophobicContact CD1-CD1 4.29Å; L30-V708 HydrophobicContact CB-CG1 3.66Å; L30-V708 HydrophobicContact CD1-CG1 3.91Å; L30-V708 HydrophobicContact CD2-CG1 4.38Å; L30-V708 HydrophobicContact CG-CG1 4.16Å; L30-Y709 PolarHBondContact N-O 3.06Å
31	R	86.5	Confident	77.1	Confident	158 Å²	158	68 Å²	68	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-58.9	-26.5	176.6	-160.6	173.4	-175.9	175.9	2.9	114.6	H29 L39	H29-R31 VanDerWaalsContact C-N 3.34Å; H29-R31 PolarHBondContact ND1-N 3.33Å; H29-R31 PolarHBondContact O-N 2.82Å; R31-L39 HydrophobicContact CG-CD2 4.44Å
32	Q	88.6	Confident	79.2	Confident	127 Å²	127	63 Å²	63	59%	0.593	34%	0.342	S	S	*	.	H	α-helix	trans	-80.2	-35.8	178.8	-66.2	179.2	-6.3	0	0	111.9	H29 L30 K81	H29-Q32 HydrophobicContact CB-CB 4.25Å; H29-Q32 HydrophobicContact CB-CG 3.89Å; H29-Q32 WeakPolarHBondContact O-CB 3.46Å; H29-Q32 PolarHBondContact O-N 3.3Å; L30-Q32 PolarHBondContact O-N 3.17Å; L30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-K81 WeakPolarHBondContact O-CE 3.35Å; Q32-K81 PolarHBondContact O-NZ 2.78Å
33	I	90.8	Very high	81.7	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-91.2	-17.1	-178.5	64.2	171.5	0	0	0	113	Y28 H29 L30 F70 P72 P80 K81 L82	Y28-I33 HydrophobicContact CD1-CG2 3.66Å; Y28-I33 HydrophobicContact CE1-CG2 4.42Å; Y28-I33 HydrophobicContact CG-CG2 4.37Å; H29-I33 PolarHBondContact O-N 2.97Å; L30-I33 HydrophobicContact CD1-CD1 4.43Å; L30-I33 HydrophobicContact CD1-CG1 4.35Å; L30-I33 VanDerWaalsContact O-CG1 3.32Å; L30-I33 WeakPolarHBondContact O-CG1 3.49Å; L30-I33 PolarHBondContact O-N 2.89Å; I33-F70 HydrophobicContact CD1-CE2 4.17Å; I33-P72 HydrophobicContact CB-CB 4.21Å; I33-P72 HydrophobicContact CB-CG 4.2Å; I33-P72 HydrophobicContact CD1-CG 4.21Å; I33-P72 HydrophobicContact CG2-CB 4.32Å; I33-P72 HydrophobicContact CG2-CG 3.91Å; I33-P80 HydrophobicContact CG2-CG 4.49Å; I33-K81 CarbonylContact O-C 3.54Å; I33-K81 VanDerWaalsContact O-CA 3.28Å; I33-K81 WeakPolarHBondContact O-CA 3.41Å; I33-K81 WeakPolarHBondContact O-CD 3.28Å; I33-L82 HydrophobicContact CB-CG 4.32Å; I33-L82 HydrophobicContact CD1-CD1 4.02Å; I33-L82 HydrophobicContact CD1-CD2 4.1Å; I33-L82 HydrophobicContact CD1-CG 3.97Å; I33-L82 HydrophobicContact CG1-CD1 4.09Å; I33-L82 HydrophobicContact CG1-CG 4.07Å; I33-L82 PolarHBondContact O-N 3.39Å
34	L	88.2	Confident	83.7	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-67.1	136.6	177	-97.5	164.1	0	0	0	112.5	L30 A38 L39 F43 K81	L30-L34 HydrophobicContact CD1-CD1 3.81Å; L30-L34 HydrophobicContact CD1-CG 3.84Å; L30-L34 HydrophobicContact CD2-CD1 4.36Å; L30-L34 HydrophobicContact CG-CD1 3.55Å; L30-L34 HydrophobicContact CG-CG 4.15Å; L30-L34 VanDerWaalsContact O-CB 3.28Å; L30-L34 WeakPolarHBondContact O-CB 3.35Å; L30-L34 WeakPolarHBondContact O-CG 3.28Å; L30-L34 PolarHBondContact O-N 2.8Å; L34-A38 HydrophobicContact CD2-CB 3.46Å; L34-A38 VanDerWaalsContact CD2-CB 3.46Å; L34-A38 WeakPolarHBondContact CD2-O 3.37Å; L34-L39 HydrophobicContact CB-CD2 4.49Å; L34-F43 HydrophobicContact CD1-CE2 4.05Å; L34-F43 HydrophobicContact CD1-CZ 4.46Å; L34-F43 HydrophobicContact CD2-CE2 3.7Å; L34-F43 HydrophobicContact CD2-CZ 3.48Å; L34-F43 VanDerWaalsContact CD2-CZ 3.48Å; L34-F43 HydrophobicContact CG-CE2 4.3Å; L34-F43 HydrophobicContact CG-CZ 4.23Å; L34-K81 PolarHBondContact O-NZ 2.89Å
35	P	86.6	Confident	85.5	Confident	30 Å²	30	52.4 Å²	52.4	20%	0.195	26%	0.257	C	S	.	.			trans	-74.4	160.3	161.2	31.4	-31.4	0	0	0	111.1	D37 A38 W68	P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 VanDerWaalsContact CB-OD1 3.32Å; P35-D37 WeakPolarHBondContact CB-OD1 3.19Å; P35-D37 WeakPolarHBondContact CG-OD1 3.29Å; P35-D37 PolarHBondContact O-N 2.84Å; P35-A38 HydrophobicContact CG-CB 4.15Å; P35-A38 PolarHBondContact O-N 3.1Å; P35-W68 HydrophobicContact CG-CE3 4.46Å; P35-W68 HydrophobicContact CG-CH2 3.84Å; P35-W68 HydrophobicContact CG-CZ3 3.53Å
36	Q	83.1	Confident	86.7	Confident	159 Å²	159	50.3 Å²	50.3	74%	0.743	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-66.2	-31	-168.8	-163.8	70.6	7.5	0	0	113.3	A38 L39	Q36-A38 PolarHBondContact O-N 2.69Å; Q36-L39 VanDerWaalsContact CD-CD1 3.45Å; Q36-L39 HydrophobicContact CG-CD1 4.22Å; Q36-L39 WeakPolarHBondContact O-CG 3.49Å
37	D	81.8	Confident	87.3	Confident	92 Å²	92	44.5 Å²	44.5	49%	0.492	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-77.3	-6.4	-178.6	64.7	-37.5	0	0	0	114.1	P35	P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 VanDerWaalsContact CB-OD1 3.32Å; P35-D37 WeakPolarHBondContact CB-OD1 3.19Å; P35-D37 WeakPolarHBondContact CG-OD1 3.29Å; P35-D37 PolarHBondContact O-N 2.84Å
38	A	86.3	Confident	87.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-115.1	10.8	179.4	0	0	0	0	0	113.3	L34 P35 Q36 D40 D41 W68	L34-A38 HydrophobicContact CD2-CB 3.46Å; L34-A38 VanDerWaalsContact CD2-CB 3.46Å; L34-A38 WeakPolarHBondContact CD2-O 3.37Å; P35-A38 HydrophobicContact CG-CB 4.15Å; P35-A38 PolarHBondContact O-N 3.1Å; Q36-A38 PolarHBondContact O-N 2.69Å; A38-D40 PolarHBondContact O-N 2.95Å; A38-D41 WeakPolarHBondContact O-CB 3.36Å; A38-D41 PolarHBondContact O-N 2.88Å; A38-W68 HydrophobicContact CB-CH2 3.42Å; A38-W68 VanDerWaalsContact CB-CH2 3.42Å; A38-W68 HydrophobicContact CB-CZ2 3.35Å; A38-W68 HydrophobicContact CB-CZ3 4.41Å
39	L	82.5	Confident	87.5	Confident	53 Å²	53	42.8 Å²	42.8	28%	0.277	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.2	177.7	-73.1	175.1	0	0	0	113.3	R31 L34 Q36	R31-L39 HydrophobicContact CG-CD2 4.44Å; L34-L39 HydrophobicContact CB-CD2 4.49Å; Q36-L39 VanDerWaalsContact CD-CD1 3.45Å; Q36-L39 HydrophobicContact CG-CD1 4.22Å; Q36-L39 WeakPolarHBondContact O-CG 3.49Å
40	D	81.4	Confident	87.5	Confident	129 Å²	129	41.1 Å²	41.1	69%	0.69	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.7	179.3	-54.9	-39.4	0	0	0	112.7	A38	A38-D40 PolarHBondContact O-N 2.95Å
41	D	86.7	Confident	87.6	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.037	22%	0.215	C	C	.	.			trans	-76.4	144.1	179.8	-73.3	22.1	0	0	0	110.7	A38 F43 S55 R66	A38-D41 WeakPolarHBondContact O-CB 3.36Å; A38-D41 PolarHBondContact O-N 2.88Å; D41-F43 HydrophobicContact CB-CD2 4.4Å; D41-F43 HydrophobicContact CB-CE2 3.81Å; D41-F43 HydrophobicContact CB-CZ 4.36Å; D41-S55 PolarHBondContact OD2-OG 2.79Å; D41-R66 VanDerWaalsContact CG-NH1 3.27Å; D41-R66 IonicContact OD1-CZ 3.72Å; D41-R66 IonicContact OD1-NH1 2.9Å; D41-R66 PolarHBondContact OD1-NH1 3.41Å; D41-R66 WeakPolarHBondContact OD2-CD 2.98Å; D41-R66 IonicContact OD2-CZ 3.34Å; D41-R66 IonicContact OD2-NE 3.82Å; D41-R66 IonicContact OD2-NH1 3.2Å; D41-R66 PolarHBondContact OD2-NH1 3.37Å
42	I	86.2	Confident	88	Confident	16 Å²	16	35.2 Å²	35.2	8%	0.082	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.6	173.6	-60.7	171.6	0	0	0	108.2	S55 Y56 L693	I42-S55 CarbonylContact O-C 3.51Å; I42-S55 WeakPolarHBondContact O-CA 3.33Å; I42-S55 WeakPolarHBondContact O-CB 3.46Å; I42-Y56 HydrophobicContact CB-CD1 4.06Å; I42-Y56 HydrophobicContact CB-CE1 3.52Å; I42-Y56 HydrophobicContact CB-CE2 4.24Å; I42-Y56 HydrophobicContact CD1-CE1 4.4Å; I42-Y56 HydrophobicContact CD1-CE2 3.92Å; I42-Y56 WeakPolarHBondContact CD1-OH 3.44Å; I42-Y56 HydrophobicContact CG2-CD1 4.28Å; I42-Y56 HydrophobicContact CG2-CE1 3.42Å; I42-Y56 VanDerWaalsContact CG2-CE1 3.42Å; I42-Y56 PolarHBondContact N-O 2.81Å; I42-Y56 WeakPolarHBondContact O-CD1 3.45Å; I42-Y56 PolarHBondContact O-N 3Å; I42-L693 HydrophobicContact CD1-CD2 3.6Å
43	F	89.5	Confident	88.2	Confident	3 Å²	3	29.2 Å²	29.2	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.9	-179.6	-74.1	-95.2	0	0	0	111.2	L30 L34 D41 L53 W68 S695 L699	L30-F43 HydrophobicContact CD1-CD1 4.47Å; L30-F43 HydrophobicContact CD1-CE1 4.34Å; L30-F43 HydrophobicContact CD1-CE2 4.45Å; L30-F43 HydrophobicContact CD1-CZ 4.34Å; L30-F43 HydrophobicContact CD2-CB 4.26Å; L30-F43 HydrophobicContact CD2-CD2 3.81Å; L30-F43 HydrophobicContact CD2-CE2 4.34Å; L30-F43 HydrophobicContact CD2-CG 3.92Å; L34-F43 HydrophobicContact CD1-CE2 4.05Å; L34-F43 HydrophobicContact CD1-CZ 4.46Å; L34-F43 HydrophobicContact CD2-CE2 3.7Å; L34-F43 HydrophobicContact CD2-CZ 3.48Å; L34-F43 VanDerWaalsContact CD2-CZ 3.48Å; L34-F43 HydrophobicContact CG-CE2 4.3Å; L34-F43 HydrophobicContact CG-CZ 4.23Å; D41-F43 HydrophobicContact CB-CD2 4.4Å; D41-F43 HydrophobicContact CB-CE2 3.81Å; D41-F43 HydrophobicContact CB-CZ 4.36Å; F43-L53 HydrophobicContact CD1-CD2 3.4Å; F43-L53 HydrophobicContact CD1-CG 3.8Å; F43-L53 HydrophobicContact CE1-CD2 3.59Å; F43-L53 HydrophobicContact CE1-CG 4.2Å; F43-L53 HydrophobicContact CG-CD2 4.43Å; F43-W68 AromaticContact CE1-CD1 3.73Å; F43-W68 HydrophobicContact CE1-CG 4.37Å; F43-W68 AromaticContact CE1-NE1 3.89Å; F43-W68 AromaticContact CZ-NE1 3.98Å; F43-S695 PolarHBondContact N-OG 3.43Å; F43-L699 HydrophobicContact CB-CD1 4.04Å
44	L	87.9	Confident	88.4	Confident	1 Å²	1	29 Å²	29	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-38.8	178.5	-63.1	176.7	0	0	0	111.6	I54 Y56 L65 V105 F107 L684 N686 L696	L44-I54 HydrophobicContact CD1-CG2 4.25Å; L44-I54 PolarHBondContact N-O 2.86Å; L44-Y56 HydrophobicContact CD1-CD1 4.09Å; L44-Y56 HydrophobicContact CD2-CD1 3.88Å; L44-Y56 HydrophobicContact CD2-CE1 3.71Å; L44-Y56 HydrophobicContact CG-CD1 3.88Å; L44-Y56 HydrophobicContact CG-CE1 4.23Å; L44-L65 HydrophobicContact CD1-CD1 4.48Å; L44-V105 HydrophobicContact CD1-CG1 3.83Å; L44-V105 HydrophobicContact CD2-CB 4.32Å; L44-V105 HydrophobicContact CD2-CG1 4.47Å; L44-F107 HydrophobicContact CD1-CB 3.97Å; L44-L684 HydrophobicContact CB-CB 3.9Å; L44-L684 HydrophobicContact CB-CD1 4.19Å; L44-N686 HydrophobicContact CD2-CB 4.12Å; L44-L696 WeakPolarHBondContact O-CD1 3.42Å
45	G	91	Very high	88.5	Confident	2 Å²	2	28.8 Å²	28.8	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.3	-164	178.3	0	0	0	0	0	114.4	I54	G45-I54 PolarHBondContact N-O 2.81Å; G45-I54 PolarHBondContact O-N 3.25Å
46	F	92.1	Very high	88.6	Confident	3 Å²	3	27.4 Å²	27.4	1%	0.013	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.9	-178.5	-73.4	-86.1	0	0	0	111.6	F52 L53 F70 H682 L684 L699 V700 D701 P702 V708	F46-F52 CarbonylContact C-O 3.55Å; F46-F52 VanDerWaalsContact CA-O 3.32Å; F46-F52 WeakPolarHBondContact CA-O 3.34Å; F46-L53 HydrophobicContact CD1-CD1 3.81Å; F46-L53 HydrophobicContact CD2-CD1 3.87Å; F46-L53 HydrophobicContact CE1-CD1 3.69Å; F46-L53 HydrophobicContact CE2-CD1 3.75Å; F46-L53 HydrophobicContact CG-CD1 3.91Å; F46-L53 HydrophobicContact CZ-CD1 3.66Å; F46-F70 HydrophobicContact CD1-CG 4.49Å; F46-F70 HydrophobicContact CE1-CB 4.27Å; F46-F70 AromaticContact CE1-CD1 3.57Å; F46-F70 HydrophobicContact CE1-CD1 3.57Å; F46-F70 AromaticContact CE1-CD2 3.87Å; F46-F70 HydrophobicContact CE1-CD2 3.87Å; F46-F70 AromaticContact CE1-CE1 3.83Å; F46-F70 HydrophobicContact CE1-CE1 3.83Å; F46-F70 HydrophobicContact CE1-CE2 4.09Å; F46-F70 AromaticContact CE1-CG 3.61Å; F46-F70 HydrophobicContact CE1-CG 3.61Å; F46-F70 HydrophobicContact CE1-CZ 4.08Å; F46-F70 HydrophobicContact CZ-CD1 4.29Å; F46-F70 HydrophobicContact CZ-CD2 4.33Å; F46-F70 HydrophobicContact CZ-CE1 4.1Å; F46-F70 HydrophobicContact CZ-CE2 4.11Å; F46-F70 HydrophobicContact CZ-CG 4.42Å; F46-F70 AromaticContact CZ-CZ 4Å; F46-F70 HydrophobicContact CZ-CZ 4Å; F46-H682 PolarHBondContact O-NE2 3.2Å; F46-L684 WeakPolarHBondContact O-CD1 3.41Å; F46-L699 HydrophobicContact CD2-CB 4.12Å; F46-L699 HydrophobicContact CE2-CB 3.86Å; F46-V700 VanDerWaalsContact CD2-C 3.49Å; F46-V700 WeakPolarHBondContact CD2-O 3.41Å; F46-D701 HydrophobicContact CD1-CB 4.49Å; F46-D701 HydrophobicContact CD2-CB 4.42Å; F46-D701 HydrophobicContact CE1-CB 4.47Å; F46-D701 HydrophobicContact CE2-CB 4.41Å; F46-D701 HydrophobicContact CG-CB 4.45Å; F46-D701 HydrophobicContact CZ-CB 4.42Å; F46-P702 HydrophobicContact CB-CG 4.48Å; F46-V708 HydrophobicContact CE2-CG2 4.17Å; F46-V708 HydrophobicContact CZ-CG2 3.7Å
47	S	93.1	Very high	88.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.			trans	-58.9	160.5	164.4	55.6	0	0	0	0	111.1	D49 G50 C51 F52 P702	S47-D49 VanDerWaalsContact CB-OD1 3.25Å; S47-D49 WeakPolarHBondContact CB-OD1 3.4Å; S47-D49 PolarHBondContact O-N 3.46Å; S47-D49 VanDerWaalsContact O-N 3.15Å; S47-D49 PolarHBondContact OG-OD1 2.91Å; S47-G50 PolarHBondContact O-N 2.85Å; S47-C51 PolarHBondContact OG-N 3.31Å; S47-F52 PolarHBondContact N-O 2.88Å; S47-F52 PolarHBondContact OG-N 3.11Å; S47-F52 PolarHBondContact OG-O 2.99Å; S47-P702 WeakPolarHBondContact O-CG 3.2Å
48	A	89.6	Confident	88.1	Confident	13 Å²	13	21.2 Å²	21.2	11%	0.107	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.7	-178.7	0	0	0	0	0	113.7	Q109 L111 H682	A48-Q109 HydrophobicContact CB-CB 4.26Å; A48-L111 HydrophobicContact CB-CD2 3.96Å; A48-H682 HydrophobicContact CB-CB 3.87Å; A48-H682 PolarHBondContact N-CD2 2.83Å
49	D	87.7	Confident	86.9	Confident	51 Å²	51	24.3 Å²	24.3	27%	0.273	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.4	177	64.5	-9.5	0	0	0	113.5	S47 C51 Q703	S47-D49 VanDerWaalsContact CB-OD1 3.25Å; S47-D49 WeakPolarHBondContact CB-OD1 3.4Å; S47-D49 PolarHBondContact O-N 3.46Å; S47-D49 VanDerWaalsContact O-N 3.15Å; S47-D49 PolarHBondContact OG-OD1 2.91Å; D49-C51 VanDerWaalsContact CG-SG 3.56Å; D49-C51 PolarHBondContact O-N 2.88Å; D49-C51 VanDerWaalsContact O-N 3.17Å; D49-C51 PolarHBondContact OD1-N 3.01Å; D49-C51 PolarHBondContact OD2-SG 2.83Å; D49-C51 VanDerWaalsContact OD2-SG 3.35Å; D49-Q703 PolarHBondContact O-NE2 3.46Å
50	G	88.7	Confident	85.7	Confident	10 Å²	10	30 Å²	30	10%	0.103	16%	0.156	C	C	.	.	S	Bend	trans	71.7	-0.6	-180	0	0	0	0	0	115.1	S47 F52	S47-G50 PolarHBondContact O-N 2.85Å; G50-F52 VanDerWaalsContact C-N 3.32Å; G50-F52 PolarHBondContact O-N 3.13Å
51	C	91.5	Very high	84.6	Confident	35 Å²	35	30.8 Å²	30.8	24%	0.236	15%	0.153	C	C	.	.	S	Bend	trans	-73.2	-25.1	-178.2	-64.8	0	0	0	0	113.1	S47 D49 F70 L139	S47-C51 PolarHBondContact OG-N 3.31Å; D49-C51 VanDerWaalsContact CG-SG 3.56Å; D49-C51 PolarHBondContact O-N 2.88Å; D49-C51 VanDerWaalsContact O-N 3.17Å; D49-C51 PolarHBondContact OD1-N 3.01Å; D49-C51 PolarHBondContact OD2-SG 2.83Å; D49-C51 VanDerWaalsContact OD2-SG 3.35Å; C51-F70 PolarHBondContact O-N 3.45Å; C51-L139 HydrophobicContact CB-CD1 4.19Å
52	F	94.1	Very high	83.6	Confident	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.7	-176.8	-58.9	-76.2	0	0	0	112.2	F46 S47 G50 F67 W68 L69 H85 M136 P137 L139	F46-F52 CarbonylContact C-O 3.55Å; F46-F52 VanDerWaalsContact CA-O 3.32Å; F46-F52 WeakPolarHBondContact CA-O 3.34Å; S47-F52 PolarHBondContact N-O 2.88Å; S47-F52 PolarHBondContact OG-N 3.11Å; S47-F52 PolarHBondContact OG-O 2.99Å; G50-F52 VanDerWaalsContact C-N 3.32Å; G50-F52 PolarHBondContact O-N 3.13Å; F52-F67 HydrophobicContact CD1-CB 3.99Å; F52-F67 HydrophobicContact CG-CB 4.37Å; F52-W68 CarbonylContact C-O 3.56Å; F52-W68 WeakPolarHBondContact CA-O 3.28Å; F52-L69 HydrophobicContact CE1-CD2 4.02Å; F52-L69 HydrophobicContact CE1-CG 4.41Å; F52-H85 HydrophobicContact CE1-CB 4.09Å; F52-H85 AromaticContact CE1-CD2 3.66Å; F52-H85 AromaticContact CZ-CD2 3.95Å; F52-M136 HydrophobicContact CD2-CE 3.74Å; F52-M136 HydrophobicContact CE2-CE 4.35Å; F52-M136 HydrophobicContact CG-CE 4.43Å; F52-P137 HydrophobicContact CE1-CB 4.42Å; F52-P137 WeakPolarHBondContact CE2-O 3.4Å; F52-P137 HydrophobicContact CZ-CB 3.97Å; F52-P137 HydrophobicContact CZ-CG 4.5Å; F52-L139 HydrophobicContact CE1-CD2 3.97Å; F52-L139 HydrophobicContact CZ-CD2 3.57Å; F52-L139 HydrophobicContact CZ-CG 4.06Å
53	L	93.7	Very high	83.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.7	157.8	-152.6	73.8	0	0	0	107.8	L30 F43 F46 W68 L82 L699	L30-L53 HydrophobicContact CD1-CD2 3.98Å; F43-L53 HydrophobicContact CD1-CD2 3.4Å; F43-L53 HydrophobicContact CD1-CG 3.8Å; F43-L53 HydrophobicContact CE1-CD2 3.59Å; F43-L53 HydrophobicContact CE1-CG 4.2Å; F43-L53 HydrophobicContact CG-CD2 4.43Å; F46-L53 HydrophobicContact CD1-CD1 3.81Å; F46-L53 HydrophobicContact CD2-CD1 3.87Å; F46-L53 HydrophobicContact CE1-CD1 3.69Å; F46-L53 HydrophobicContact CE2-CD1 3.75Å; F46-L53 HydrophobicContact CG-CD1 3.91Å; F46-L53 HydrophobicContact CZ-CD1 3.66Å; L53-W68 HydrophobicContact CB-CB 4.19Å; L53-W68 PolarHBondContact N-O 3.07Å; L53-W68 WeakPolarHBondContact O-CB 3.35Å; L53-W68 VanDerWaalsContact O-CD1 3.27Å; L53-W68 PolarHBondContact O-N 3.03Å; L53-L82 HydrophobicContact CD2-CD1 4.16Å; L53-L699 HydrophobicContact CD1-CD1 3.91Å; L53-L699 HydrophobicContact CD2-CD1 4.3Å; L53-L699 HydrophobicContact CG-CD1 4.37Å
54	I	93.9	Very high	82.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.5	-174.6	-54.9	-177.6	0	0	0	108.6	L44 G45 L65 F67 F107 M136 L684	L44-I54 HydrophobicContact CD1-CG2 4.25Å; L44-I54 PolarHBondContact N-O 2.86Å; G45-I54 PolarHBondContact N-O 2.81Å; G45-I54 PolarHBondContact O-N 3.25Å; I54-L65 HydrophobicContact CG2-CD1 3.68Å; I54-L65 HydrophobicContact CG2-CG 4.29Å; I54-F67 HydrophobicContact CD1-CD1 4.44Å; I54-F67 HydrophobicContact CD1-CE1 4.24Å; I54-F67 HydrophobicContact CG1-CD1 4.21Å; I54-F67 HydrophobicContact CG1-CE1 4.42Å; I54-F107 HydrophobicContact CD1-CD1 3.72Å; I54-F107 HydrophobicContact CD1-CE1 3.19Å; I54-F107 HydrophobicContact CD1-CE2 4.13Å; I54-F107 HydrophobicContact CD1-CG 4.37Å; I54-F107 HydrophobicContact CD1-CZ 3.44Å; I54-F107 VanDerWaalsContact CD1-CZ 3.44Å; I54-F107 HydrophobicContact CG2-CD2 4.46Å; I54-M136 HydrophobicContact CD1-CE 4.46Å; I54-L684 HydrophobicContact CB-CD1 4.18Å; I54-L684 HydrophobicContact CD1-CD1 3.93Å; I54-L684 HydrophobicContact CG1-CD1 4.35Å
55	S	91.7	Very high	82.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	164.5	171.6	75.4	0	0	0	0	110.8	D41 I42 R66 W68	D41-S55 PolarHBondContact OD2-OG 2.79Å; I42-S55 CarbonylContact O-C 3.51Å; I42-S55 WeakPolarHBondContact O-CA 3.33Å; I42-S55 WeakPolarHBondContact O-CB 3.46Å; S55-R66 PolarHBondContact N-O 3.2Å; S55-R66 PolarHBondContact O-N 3.31Å; S55-W68 PolarHBondContact OG-NE1 3.34Å
56	Y	88	Confident	82.8	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	157.1	165.6	73.8	-84.2	0	0	0	110.6	I42 L44 H63 V64 P103 V105 N686	I42-Y56 HydrophobicContact CB-CD1 4.06Å; I42-Y56 HydrophobicContact CB-CE1 3.52Å; I42-Y56 HydrophobicContact CB-CE2 4.24Å; I42-Y56 HydrophobicContact CD1-CE1 4.4Å; I42-Y56 HydrophobicContact CD1-CE2 3.92Å; I42-Y56 WeakPolarHBondContact CD1-OH 3.44Å; I42-Y56 HydrophobicContact CG2-CD1 4.28Å; I42-Y56 HydrophobicContact CG2-CE1 3.42Å; I42-Y56 VanDerWaalsContact CG2-CE1 3.42Å; I42-Y56 PolarHBondContact N-O 2.81Å; I42-Y56 WeakPolarHBondContact O-CD1 3.45Å; I42-Y56 PolarHBondContact O-N 3Å; L44-Y56 HydrophobicContact CD1-CD1 4.09Å; L44-Y56 HydrophobicContact CD2-CD1 3.88Å; L44-Y56 HydrophobicContact CD2-CE1 3.71Å; L44-Y56 HydrophobicContact CG-CD1 3.88Å; L44-Y56 HydrophobicContact CG-CE1 4.23Å; Y56-H63 AromaticContact CD2-CE1 3.88Å; Y56-H63 AromaticContact CD2-NE2 3.23Å; Y56-H63 WeakPolarHBondContact CD2-NE2 3.32Å; Y56-H63 AromaticContact CE2-NE2 3.91Å; Y56-H63 AromaticContact CG-CE1 3.95Å; Y56-H63 AromaticContact CG-NE2 3.73Å; Y56-V64 CarbonylContact C-O 3.59Å; Y56-V64 WeakPolarHBondContact CA-O 3.36Å; Y56-V64 WeakPolarHBondContact CB-O 3.46Å; Y56-P103 HydrophobicContact CD2-CG 4.45Å; Y56-P103 HydrophobicContact CE2-CG 3.76Å; Y56-P103 PolarHBondContact OH-O 3.25Å; Y56-V105 HydrophobicContact CD1-CB 4.35Å; Y56-V105 HydrophobicContact CD1-CG2 4.06Å; Y56-V105 HydrophobicContact CD2-CG2 4.15Å; Y56-V105 HydrophobicContact CE1-CB 4.13Å; Y56-V105 HydrophobicContact CE1-CG2 3.83Å; Y56-V105 HydrophobicContact CE2-CG2 3.95Å; Y56-V105 HydrophobicContact CG-CG2 4.2Å; Y56-N686 PolarHBondContact OH-ND2 3.02Å
57	K	81.8	Confident	82.9	Confident	64 Å²	64	34.6 Å²	34.6	28%	0.278	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.1	172.2	178.2	173.8	-178.7	165.4	0	107.9	V64	K57-V64 PolarHBondContact N-O 3.47Å; K57-V64 PolarHBondContact O-N 2.64Å
58	N	71.7	Confident	82.9	Confident	57 Å²	57	34.8 Å²	34.8	31%	0.305	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.5	169.2	-150.6	20.2	0	0	0	108.3	H62	N58-H62 PolarHBondContact OD1-O 3.22Å
59	D	63	Low	83.1	Confident	64 Å²	64	36.3 Å²	36.3	34%	0.342	18%	0.176	S	C	.	.			trans	-104	166	161.4	77.7	46.2	0	0	0	109	K61 H62	D59-K61 PolarHBondContact O-N 3.01Å; D59-K61 VanDerWaalsContact OD1-CA 3.31Å; D59-K61 WeakPolarHBondContact OD1-CA 3.39Å; D59-K61 WeakPolarHBondContact OD1-CB 3.31Å; D59-K61 PolarHBondContact OD1-N 2.67Å; D59-H62 PolarHBondContact N-O 2.87Å; D59-H62 PolarHBondContact O-N 3.22Å; D59-H62 IonicContact OD1-CG 3.67Å; D59-H62 PolarHBondContact OD1-N 3.34Å; D59-H62 IonicContact OD1-ND1 3.08Å; D59-H62 PolarHBondContact OD1-ND1 3.39Å; D59-H62 IonicContact OD2-CG 3.08Å; D59-H62 IonicContact OD2-ND1 3.22Å; D59-H62 PolarHBondContact OD2-ND1 3.26Å
60	F	56.8	Low	83.3	Confident	172 Å²	172	34.5 Å²	34.5	75%	0.754	17%	0.166	S	C	*	.	S	Bend	trans	-57.5	-15.9	-177.3	-73.4	-81.1	0	0	0	114.3	R92	F60-R92 PolarHBondContact O-NH2 3.33Å
61	K	58.7	Low	83.3	Confident	146 Å²	146	37.2 Å²	37.2	64%	0.635	18%	0.181	S	C	*	.	S	Bend	trans	-117.6	-25.4	-174.3	-65.9	-174.5	177.6	-172.7	0	113.6	D59	D59-K61 PolarHBondContact O-N 3.01Å; D59-K61 VanDerWaalsContact OD1-CA 3.31Å; D59-K61 WeakPolarHBondContact OD1-CA 3.39Å; D59-K61 WeakPolarHBondContact OD1-CB 3.31Å; D59-K61 PolarHBondContact OD1-N 2.67Å
62	H	64.9	Low	83.2	Confident	52 Å²	52	36.1 Å²	36.1	24%	0.241	17%	0.174	C	C	.	.			trans	-145	139.7	-170.5	-43.4	89.6	0	0	0	111.7	N58 D59 V64	N58-H62 PolarHBondContact OD1-O 3.22Å; D59-H62 PolarHBondContact N-O 2.87Å; D59-H62 PolarHBondContact O-N 3.22Å; D59-H62 IonicContact OD1-CG 3.67Å; D59-H62 PolarHBondContact OD1-N 3.34Å; D59-H62 IonicContact OD1-ND1 3.08Å; D59-H62 PolarHBondContact OD1-ND1 3.39Å; D59-H62 IonicContact OD2-CG 3.08Å; D59-H62 IonicContact OD2-ND1 3.22Å; D59-H62 PolarHBondContact OD2-ND1 3.26Å; H62-V64 HydrophobicContact CB-CG2 4.13Å
63	H	75	Confident	82.8	Confident	23 Å²	23	38.7 Å²	38.7	11%	0.106	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128	159.2	-171.9	-84	0	0	0	108.2	Y56 F90	Y56-H63 AromaticContact CD2-CE1 3.88Å; Y56-H63 AromaticContact CD2-NE2 3.23Å; Y56-H63 WeakPolarHBondContact CD2-NE2 3.32Å; Y56-H63 AromaticContact CE2-NE2 3.91Å; Y56-H63 AromaticContact CG-CE1 3.95Å; Y56-H63 AromaticContact CG-NE2 3.73Å; H63-F90 HydrophobicContact CB-CB 4.4Å; H63-F90 AromaticContact ND1-CD2 4Å; H63-F90 WeakPolarHBondContact O-CD2 3.28Å; H63-F90 PolarHBondContact O-N 2.91Å
64	V	83.3	Confident	81.9	Confident	10 Å²	10	42.9 Å²	42.9	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.6	-177.2	-171.5	0	0	0	0	109.8	Y56 K57 H62 R66 E87 R88 K89	Y56-V64 CarbonylContact C-O 3.59Å; Y56-V64 WeakPolarHBondContact CA-O 3.36Å; Y56-V64 WeakPolarHBondContact CB-O 3.46Å; K57-V64 PolarHBondContact N-O 3.47Å; K57-V64 PolarHBondContact O-N 2.64Å; H62-V64 HydrophobicContact CB-CG2 4.13Å; V64-R66 HydrophobicContact CG1-CG 4.15Å; V64-E87 HydrophobicContact CG1-CB 4.17Å; V64-R88 CarbonylContact C-O 3.52Å; V64-R88 VanDerWaalsContact CA-O 3.31Å; V64-R88 WeakPolarHBondContact CA-O 3.32Å; V64-K89 HydrophobicContact CG1-CG 4.43Å; V64-K89 HydrophobicContact CG2-CG 4.17Å
65	L	89.2	Confident	80.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.1	170.5	-170.9	73.8	0	0	0	109.3	L44 I54 F67 E87 R88 F90 F107 F117 I119	L44-L65 HydrophobicContact CD1-CD1 4.48Å; I54-L65 HydrophobicContact CG2-CD1 3.68Å; I54-L65 HydrophobicContact CG2-CG 4.29Å; L65-F67 HydrophobicContact CD2-CE1 4.26Å; L65-F67 HydrophobicContact CD2-CE2 3.89Å; L65-F67 HydrophobicContact CD2-CZ 3.45Å; L65-F67 VanDerWaalsContact CD2-CZ 3.45Å; L65-F67 HydrophobicContact CG-CE2 4.15Å; L65-F67 HydrophobicContact CG-CZ 4.05Å; L65-E87 CarbonylContact O-C 3.51Å; L65-E87 VanDerWaalsContact O-CA 3.32Å; L65-E87 WeakPolarHBondContact O-CA 3.49Å; L65-R88 HydrophobicContact CB-CB 4.37Å; L65-R88 PolarHBondContact N-O 2.92Å; L65-R88 PolarHBondContact O-N 3.39Å; L65-F90 HydrophobicContact CB-CE2 3.6Å; L65-F90 HydrophobicContact CB-CZ 4.31Å; L65-F90 HydrophobicContact CD2-CE2 4.49Å; L65-F90 HydrophobicContact CD2-CZ 4.4Å; L65-F107 HydrophobicContact CD1-CD2 4.41Å; L65-F107 HydrophobicContact CD2-CD2 3.97Å; L65-F107 HydrophobicContact CD2-CE2 3.8Å; L65-F117 HydrophobicContact CD2-CE2 4.16Å; L65-F117 HydrophobicContact CD2-CZ 4.19Å; L65-I119 HydrophobicContact CD1-CD1 4.07Å; L65-I119 HydrophobicContact CD2-CD1 4.22Å
66	R	91.3	Very high	79.3	Confident	28 Å²	28	51.6 Å²	51.6	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.2	-174.7	-70.8	173	168.7	-173.5	-7.7	110.9	D41 S55 V64 L84 E87	D41-R66 VanDerWaalsContact CG-NH1 3.27Å; D41-R66 IonicContact OD1-CZ 3.72Å; D41-R66 IonicContact OD1-NH1 2.9Å; D41-R66 PolarHBondContact OD1-NH1 3.41Å; D41-R66 WeakPolarHBondContact OD2-CD 2.98Å; D41-R66 IonicContact OD2-CZ 3.34Å; D41-R66 IonicContact OD2-NE 3.82Å; D41-R66 IonicContact OD2-NH1 3.2Å; D41-R66 PolarHBondContact OD2-NH1 3.37Å; S55-R66 PolarHBondContact N-O 3.2Å; S55-R66 PolarHBondContact O-N 3.31Å; V64-R66 HydrophobicContact CG1-CG 4.15Å; R66-L84 HydrophobicContact CB-CD1 3.84Å; R66-L84 HydrophobicContact CG-CD1 4.06Å; R66-E87 HydrophobicContact CG-CB 4.21Å
67	F	93.9	Very high	77.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.1	-178.6	-58.6	-89.2	0	0	0	109.1	F52 I54 L65 H85 S86 R88 F107 F117 M136 P137	F52-F67 HydrophobicContact CD1-CB 3.99Å; F52-F67 HydrophobicContact CG-CB 4.37Å; I54-F67 HydrophobicContact CD1-CD1 4.44Å; I54-F67 HydrophobicContact CD1-CE1 4.24Å; I54-F67 HydrophobicContact CG1-CD1 4.21Å; I54-F67 HydrophobicContact CG1-CE1 4.42Å; L65-F67 HydrophobicContact CD2-CE1 4.26Å; L65-F67 HydrophobicContact CD2-CE2 3.89Å; L65-F67 HydrophobicContact CD2-CZ 3.45Å; L65-F67 VanDerWaalsContact CD2-CZ 3.45Å; L65-F67 HydrophobicContact CG-CE2 4.15Å; L65-F67 HydrophobicContact CG-CZ 4.05Å; F67-H85 PolarHBondContact O-N 2.93Å; F67-S86 PolarHBondContact N-O 2.88Å; F67-S86 PolarHBondContact O-N 2.89Å; F67-R88 HydrophobicContact CE2-CG 3.8Å; F67-F107 HydrophobicContact CE1-CE2 4.29Å; F67-F107 HydrophobicContact CE1-CZ 4.27Å; F67-F107 HydrophobicContact CZ-CE2 4.44Å; F67-F117 HydrophobicContact CZ-CD1 4.39Å; F67-F117 AromaticContact CZ-CE1 3.85Å; F67-F117 HydrophobicContact CZ-CE1 3.85Å; F67-F117 HydrophobicContact CZ-CZ 4.25Å; F67-M136 HydrophobicContact CD1-CE 3.81Å; F67-M136 HydrophobicContact CD1-SD 4.32Å; F67-M136 HydrophobicContact CE1-CE 3.73Å; F67-M136 HydrophobicContact CE1-SD 3.62Å; F67-M136 HydrophobicContact CZ-SD 4.39Å; F67-P137 HydrophobicContact CB-CG 3.86Å; F67-P137 HydrophobicContact CD1-CG 4.09Å; F67-P137 HydrophobicContact CD2-CG 3.76Å; F67-P137 HydrophobicContact CE2-CG 4.3Å; F67-P137 HydrophobicContact CG-CG 3.63Å
68	W	93.4	Very high	77.1	Confident	3 Å²	3	64.2 Å²	64.2	1%	0.011	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.2	-177.7	-58.6	91.8	0	0	0	110.2	P35 A38 F43 F52 L53 S55 F70 L82 T83 L84	P35-W68 HydrophobicContact CG-CE3 4.46Å; P35-W68 HydrophobicContact CG-CH2 3.84Å; P35-W68 HydrophobicContact CG-CZ3 3.53Å; A38-W68 HydrophobicContact CB-CH2 3.42Å; A38-W68 VanDerWaalsContact CB-CH2 3.42Å; A38-W68 HydrophobicContact CB-CZ2 3.35Å; A38-W68 HydrophobicContact CB-CZ3 4.41Å; F43-W68 AromaticContact CE1-CD1 3.73Å; F43-W68 HydrophobicContact CE1-CG 4.37Å; F43-W68 AromaticContact CE1-NE1 3.89Å; F43-W68 AromaticContact CZ-NE1 3.98Å; F52-W68 CarbonylContact C-O 3.56Å; F52-W68 WeakPolarHBondContact CA-O 3.28Å; L53-W68 HydrophobicContact CB-CB 4.19Å; L53-W68 PolarHBondContact N-O 3.07Å; L53-W68 WeakPolarHBondContact O-CB 3.35Å; L53-W68 VanDerWaalsContact O-CD1 3.27Å; L53-W68 PolarHBondContact O-N 3.03Å; S55-W68 PolarHBondContact OG-NE1 3.34Å; W68-F70 PolarHBondContact O-N 3.01Å; W68-L82 HydrophobicContact CB-CB 4.38Å; W68-L82 HydrophobicContact CB-CD1 4.4Å; W68-L82 HydrophobicContact CB-CD2 4.44Å; W68-L82 HydrophobicContact CE3-CB 3.94Å; W68-T83 WeakPolarHBondContact CA-O 3.34Å; W68-L84 HydrophobicContact CD2-CD1 4.16Å; W68-L84 HydrophobicContact CE3-CB 3.91Å; W68-L84 HydrophobicContact CE3-CD1 4.28Å; W68-L84 HydrophobicContact CH2-CB 4Å; W68-L84 HydrophobicContact CH2-CD1 4.15Å; W68-L84 HydrophobicContact CH2-CG 4.49Å; W68-L84 HydrophobicContact CZ2-CD1 4.05Å; W68-L84 HydrophobicContact CZ3-CB 3.56Å; W68-L84 HydrophobicContact CZ3-CD1 4.27Å; W68-L84 HydrophobicContact CZ3-CG 4.45Å
69	L	92.8	Very high	77.4	Confident	45 Å²	45	63 Å²	63	24%	0.236	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.7	176.6	-79.7	157.5	0	0	0	111.4	F52 L82 T83 H85 L139	F52-L69 HydrophobicContact CE1-CD2 4.02Å; F52-L69 HydrophobicContact CE1-CG 4.41Å; L69-L82 VanDerWaalsContact O-CD2 3.28Å; L69-L82 WeakPolarHBondContact O-CD2 3.32Å; L69-T83 HydrophobicContact CD1-CG2 4.42Å; L69-T83 PolarHBondContact N-O 3.25Å; L69-H85 HydrophobicContact CD1-CB 3.77Å; L69-H85 HydrophobicContact CD2-CB 4.41Å; L69-H85 HydrophobicContact CG-CB 3.69Å; L69-L139 HydrophobicContact CD2-CD2 3.34Å
70	F	91.9	Very high	78.5	Confident	14 Å²	14	62.4 Å²	62.4	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.1	174.9	-156.6	-84.5	0	0	0	110.6	Y28 I33 F46 C51 W68 P72 L82 Y706 V708	Y28-F70 AromaticContact CD2-CZ 3.81Å; Y28-F70 HydrophobicContact CD2-CZ 3.81Å; Y28-F70 HydrophobicContact CE2-CZ 4.06Å; I33-F70 HydrophobicContact CD1-CE2 4.17Å; F46-F70 HydrophobicContact CD1-CG 4.49Å; F46-F70 HydrophobicContact CE1-CB 4.27Å; F46-F70 AromaticContact CE1-CD1 3.57Å; F46-F70 HydrophobicContact CE1-CD1 3.57Å; F46-F70 AromaticContact CE1-CD2 3.87Å; F46-F70 HydrophobicContact CE1-CD2 3.87Å; F46-F70 AromaticContact CE1-CE1 3.83Å; F46-F70 HydrophobicContact CE1-CE1 3.83Å; F46-F70 HydrophobicContact CE1-CE2 4.09Å; F46-F70 AromaticContact CE1-CG 3.61Å; F46-F70 HydrophobicContact CE1-CG 3.61Å; F46-F70 HydrophobicContact CE1-CZ 4.08Å; F46-F70 HydrophobicContact CZ-CD1 4.29Å; F46-F70 HydrophobicContact CZ-CD2 4.33Å; F46-F70 HydrophobicContact CZ-CE1 4.1Å; F46-F70 HydrophobicContact CZ-CE2 4.11Å; F46-F70 HydrophobicContact CZ-CG 4.42Å; F46-F70 AromaticContact CZ-CZ 4Å; F46-F70 HydrophobicContact CZ-CZ 4Å; C51-F70 PolarHBondContact O-N 3.45Å; W68-F70 PolarHBondContact O-N 3.01Å; F70-P72 HydrophobicContact CE2-CG 4.48Å; F70-L82 HydrophobicContact CD2-CD2 3.85Å; F70-L82 HydrophobicContact CE2-CD2 4.43Å; F70-Y706 HydrophobicContact CD1-CD2 4.29Å; F70-Y706 HydrophobicContact CD1-CG 4.42Å; F70-Y706 AromaticContact CE1-CD1 3.77Å; F70-Y706 HydrophobicContact CE1-CD1 3.77Å; F70-Y706 AromaticContact CE1-CD2 3.75Å; F70-Y706 HydrophobicContact CE1-CD2 3.75Å; F70-Y706 HydrophobicContact CE1-CE1 4.29Å; F70-Y706 HydrophobicContact CE1-CE2 4.29Å; F70-Y706 AromaticContact CE1-CG 3.46Å; F70-Y706 HydrophobicContact CE1-CG 3.46Å; F70-Y706 VanDerWaalsContact CE1-CG 3.46Å; F70-Y706 HydrophobicContact CZ-CD1 4.31Å; F70-Y706 HydrophobicContact CZ-CG 4.2Å; F70-V708 HydrophobicContact CE2-CG2 3.68Å; F70-V708 HydrophobicContact CZ-CG2 3.89Å
71	P	89.9	Confident	80	Confident	66 Å²	66	57.3 Å²	57.3	43%	0.429	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-72.1	156.6	1.3	30.9	-35.8	0	0	0	114.1	Y706	P71-Y706 HydrophobicContact CB-CE1 4.33Å
72	P	88.6	Confident	81.6	Confident	12 Å²	12	50.7 Å²	50.7	8%	0.078	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138	177.9	25.4	-33.7	0	0	0	111.2	Y28 I33 F70 P80 K81 L82	Y28-P72 HydrophobicContact CD1-CG 3.96Å; Y28-P72 HydrophobicContact CE1-CG 3.66Å; I33-P72 HydrophobicContact CB-CB 4.21Å; I33-P72 HydrophobicContact CB-CG 4.2Å; I33-P72 HydrophobicContact CD1-CG 4.21Å; I33-P72 HydrophobicContact CG2-CB 4.32Å; I33-P72 HydrophobicContact CG2-CG 3.91Å; F70-P72 HydrophobicContact CE2-CG 4.48Å; P72-P80 HydrophobicContact CB-CB 4.11Å; P72-P80 HydrophobicContact CG-CB 4.19Å; P72-K81 WeakPolarHBondContact CA-O 3.33Å; P72-K81 VanDerWaalsContact CB-C 3.47Å; P72-K81 WeakPolarHBondContact CB-O 3.04Å; P72-L82 HydrophobicContact CB-CD2 4.09Å; P72-L82 HydrophobicContact CB-CG 4.46Å
73	S	84.8	Confident	82.7	Confident	55 Å²	55	50.5 Å²	50.5	39%	0.385	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.9	-177.6	58.2	0	0	0	0	111.2	N75 P80 K81	S73-N75 PolarHBondContact O-N 2.76Å; S73-P80 WeakPolarHBondContact O-CA 3.41Å; S73-K81 PolarHBondContact N-O 2.89Å; S73-K81 VanDerWaalsContact N-O 3.11Å; S73-K81 PolarHBondContact O-N 2.83Å
74	S	76.5	Confident	83.4	Confident	89 Å²	89	50 Å²	50	62%	0.622	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.8	176.4	59.2	0	0	0	0	110.4	G76	S74-G76 PolarHBondContact O-N 2.88Å
75	N	64.4	Low	83.7	Confident	122 Å²	122	50 Å²	50	65%	0.652	30%	0.301	S	S	*	.			trans	-91.4	87.6	168.8	-86.1	-9.6	0	0	0	109.7	S73	S73-N75 PolarHBondContact O-N 2.76Å
76	G	64.8	Low	83.7	Confident	61 Å²	61	50.7 Å²	50.7	63%	0.629	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	68.2	-142.5	176.2	0	0	0	0	0	114.1	S74 L78	S74-G76 PolarHBondContact O-N 2.88Å; G76-L78 VanDerWaalsContact C-N 3.28Å; G76-L78 PolarHBondContact O-N 2.75Å
77	N	58.7	Low	83.5	Confident	179 Å²	179	50.7 Å²	50.7	96%	0.957	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-77.4	-3.2	-169.4	-69.6	-13.3	0	0	0	115	G79	N77-G79 VanDerWaalsContact C-N 3.35Å; N77-G79 PolarHBondContact O-N 3.3Å
78	L	66.7	Low	83	Confident	151 Å²	151	51 Å²	51	79%	0.791	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-92.1	10.4	-172.5	-77.3	159.3	0	0	0	114.3	G76	G76-L78 VanDerWaalsContact C-N 3.28Å; G76-L78 PolarHBondContact O-N 2.75Å
79	G	77.5	Confident	82.3	Confident	30 Å²	30	56.5 Å²	56.5	31%	0.309	33%	0.333	S	S	.	.			trans	74.3	-177.1	-177.6	0	0	0	0	0	113.1	N77	N77-G79 VanDerWaalsContact C-N 3.35Å; N77-G79 PolarHBondContact O-N 3.3Å
80	P	85.3	Confident	81.3	Confident	52 Å²	52	55 Å²	55	34%	0.338	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.8	-179.1	28.7	-32.8	0	0	0	110.9	Y28 I33 P72 S73	Y28-P80 HydrophobicContact CE1-CG 4.37Å; I33-P80 HydrophobicContact CG2-CG 4.49Å; P72-P80 HydrophobicContact CB-CB 4.11Å; P72-P80 HydrophobicContact CG-CB 4.19Å; S73-P80 WeakPolarHBondContact O-CA 3.41Å
81	K	89.3	Confident	79.5	Confident	66 Å²	66	59 Å²	59	29%	0.287	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.2	176	-69.8	-64.5	-170.1	179.4	0	111.1	Q32 I33 L34 P72 S73	Q32-K81 WeakPolarHBondContact O-CE 3.35Å; Q32-K81 PolarHBondContact O-NZ 2.78Å; I33-K81 CarbonylContact O-C 3.54Å; I33-K81 VanDerWaalsContact O-CA 3.28Å; I33-K81 WeakPolarHBondContact O-CA 3.41Å; I33-K81 WeakPolarHBondContact O-CD 3.28Å; L34-K81 PolarHBondContact O-NZ 2.89Å; P72-K81 WeakPolarHBondContact CA-O 3.33Å; P72-K81 VanDerWaalsContact CB-C 3.47Å; P72-K81 WeakPolarHBondContact CB-O 3.04Å; S73-K81 PolarHBondContact N-O 2.89Å; S73-K81 VanDerWaalsContact N-O 3.11Å; S73-K81 PolarHBondContact O-N 2.83Å
82	L	91	Very high	77.6	Confident	7 Å²	7	62 Å²	62	4%	0.037	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	141.1	169.7	-68.4	172.6	0	0	0	109.3	L30 I33 L53 W68 L69 F70 P72	L30-L82 HydrophobicContact CD1-CD1 4.29Å; I33-L82 HydrophobicContact CB-CG 4.32Å; I33-L82 HydrophobicContact CD1-CD1 4.02Å; I33-L82 HydrophobicContact CD1-CD2 4.1Å; I33-L82 HydrophobicContact CD1-CG 3.97Å; I33-L82 HydrophobicContact CG1-CD1 4.09Å; I33-L82 HydrophobicContact CG1-CG 4.07Å; I33-L82 PolarHBondContact O-N 3.39Å; L53-L82 HydrophobicContact CD2-CD1 4.16Å; W68-L82 HydrophobicContact CB-CB 4.38Å; W68-L82 HydrophobicContact CB-CD1 4.4Å; W68-L82 HydrophobicContact CB-CD2 4.44Å; W68-L82 HydrophobicContact CE3-CB 3.94Å; L69-L82 VanDerWaalsContact O-CD2 3.28Å; L69-L82 WeakPolarHBondContact O-CD2 3.32Å; F70-L82 HydrophobicContact CD2-CD2 3.85Å; F70-L82 HydrophobicContact CE2-CD2 4.43Å; P72-L82 HydrophobicContact CB-CD2 4.09Å; P72-L82 HydrophobicContact CB-CG 4.46Å
83	T	89.2	Confident	75.5	Confident	47 Å²	47	62.7 Å²	62.7	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.7	175.2	-52	0	0	0	0	108.7	W68 L69 H85	W68-T83 WeakPolarHBondContact CA-O 3.34Å; L69-T83 HydrophobicContact CD1-CG2 4.42Å; L69-T83 PolarHBondContact N-O 3.25Å; T83-H85 PolarHBondContact O-N 3.49Å
84	L	89.4	Confident	73.2	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.073	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112.8	175.3	-178.3	64.5	0	0	0	108.8	R66 W68 S86 Q151	R66-L84 HydrophobicContact CB-CD1 3.84Å; R66-L84 HydrophobicContact CG-CD1 4.06Å; W68-L84 HydrophobicContact CD2-CD1 4.16Å; W68-L84 HydrophobicContact CE3-CB 3.91Å; W68-L84 HydrophobicContact CE3-CD1 4.28Å; W68-L84 HydrophobicContact CH2-CB 4Å; W68-L84 HydrophobicContact CH2-CD1 4.15Å; W68-L84 HydrophobicContact CH2-CG 4.49Å; W68-L84 HydrophobicContact CZ2-CD1 4.05Å; W68-L84 HydrophobicContact CZ3-CB 3.56Å; W68-L84 HydrophobicContact CZ3-CD1 4.27Å; W68-L84 HydrophobicContact CZ3-CG 4.45Å; L84-S86 WeakPolarHBondContact CD1-O 3.42Å; L84-Q151 PolarHBondContact O-NE2 3.07Å; L84-Q151 PolarHBondContact O-OE1 3.35Å
85	H	89.1	Confident	71.4	Confident	9 Å²	9	68 Å²	68	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-34.2	-179.9	-179.2	78.7	0	0	0	112.3	F52 F67 L69 T83 P137	F52-H85 HydrophobicContact CE1-CB 4.09Å; F52-H85 AromaticContact CE1-CD2 3.66Å; F52-H85 AromaticContact CZ-CD2 3.95Å; F67-H85 PolarHBondContact O-N 2.93Å; L69-H85 HydrophobicContact CD1-CB 3.77Å; L69-H85 HydrophobicContact CD2-CB 4.41Å; L69-H85 HydrophobicContact CG-CB 3.69Å; T83-H85 PolarHBondContact O-N 3.49Å; H85-P137 VanDerWaalsContact CD2-CB 3.49Å; H85-P137 WeakPolarHBondContact CD2-CB 3.46Å
86	S	88.6	Confident	70.2	Confident	14 Å²	14	63.3 Å²	63.3	10%	0.098	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	150.7	177.9	-128.7	0	0	0	0	112.6	F67 L84 R88 P137	F67-S86 PolarHBondContact N-O 2.88Å; F67-S86 PolarHBondContact O-N 2.89Å; L84-S86 WeakPolarHBondContact CD1-O 3.42Å; S86-R88 PolarHBondContact OG-NH1 2.78Å; S86-R88 PolarHBondContact OG-NH2 3.44Å; S86-R88 VanDerWaalsContact OG-NH2 3.09Å; S86-P137 VanDerWaalsContact CB-CG 3.48Å
87	E	87.5	Confident	69	Low	28 Å²	28	65.9 Å²	65.9	13%	0.131	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.8	169.3	67.1	-176.3	-155.2	0	0	110.4	V64 L65 R66 K157	V64-E87 HydrophobicContact CG1-CB 4.17Å; L65-E87 CarbonylContact O-C 3.51Å; L65-E87 VanDerWaalsContact O-CA 3.32Å; L65-E87 WeakPolarHBondContact O-CA 3.49Å; R66-E87 HydrophobicContact CG-CB 4.21Å; E87-K157 VanDerWaalsContact OE1-CD 3.29Å; E87-K157 WeakPolarHBondContact OE1-CD 3.5Å; E87-K157 IonicContact OE1-NZ 3.98Å; E87-K157 PolarHBondContact OE1-NZ 3.45Å; E87-K157 IonicContact OE2-NZ 3.27Å; E87-K157 PolarHBondContact OE2-NZ 3.12Å
88	R	84.8	Confident	68.2	Low	6 Å²	6	61.7 Å²	61.7	2%	0.023	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.6	175.6	-59.1	-71.9	172.5	-84.4	-7.1	108	V64 L65 F67 S86 F90 H163 S164 V166	V64-R88 CarbonylContact C-O 3.52Å; V64-R88 VanDerWaalsContact CA-O 3.31Å; V64-R88 WeakPolarHBondContact CA-O 3.32Å; L65-R88 HydrophobicContact CB-CB 4.37Å; L65-R88 PolarHBondContact N-O 2.92Å; L65-R88 PolarHBondContact O-N 3.39Å; F67-R88 HydrophobicContact CE2-CG 3.8Å; S86-R88 PolarHBondContact OG-NH1 2.78Å; S86-R88 PolarHBondContact OG-NH2 3.44Å; S86-R88 VanDerWaalsContact OG-NH2 3.09Å; R88-F90 HydrophobicContact CB-CE2 3.89Å; R88-F90 HydrophobicContact CB-CZ 4.18Å; R88-H163 PolarHBondContact NE-O 3.3Å; R88-H163 VanDerWaalsContact NH2-C 3.3Å; R88-H163 PolarHBondContact NH2-O 3.18Å; R88-S164 WeakPolarHBondContact CD-O 3.3Å; R88-S164 VanDerWaalsContact NE-CA 3.35Å; R88-S164 PolarHBondContact NE-O 3.23Å; R88-V166 HydrophobicContact CB-CG2 4.24Å; R88-V166 HydrophobicContact CG-CG2 4.24Å
89	K	77.9	Confident	67.3	Low	120 Å²	120	56.7 Å²	56.7	52%	0.522	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127	174.4	-60.5	-177.1	-177.6	175.8	0	107.7	V64	V64-K89 HydrophobicContact CG1-CG 4.43Å; V64-K89 HydrophobicContact CG2-CG 4.17Å
90	F	71.6	Confident	65.8	Low	14 Å²	14	61 Å²	61	6%	0.061	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.4	171.4	-59.6	-97	0	0	0	105.8	H63 L65 R88 I119 A132 V166	H63-F90 HydrophobicContact CB-CB 4.4Å; H63-F90 AromaticContact ND1-CD2 4Å; H63-F90 WeakPolarHBondContact O-CD2 3.28Å; H63-F90 PolarHBondContact O-N 2.91Å; L65-F90 HydrophobicContact CB-CE2 3.6Å; L65-F90 HydrophobicContact CB-CZ 4.31Å; L65-F90 HydrophobicContact CD2-CE2 4.49Å; L65-F90 HydrophobicContact CD2-CZ 4.4Å; R88-F90 HydrophobicContact CB-CE2 3.89Å; R88-F90 HydrophobicContact CB-CZ 4.18Å; F90-I119 HydrophobicContact CD1-CG2 4.38Å; F90-I119 HydrophobicContact CE1-CG2 3.49Å; F90-I119 VanDerWaalsContact CE1-CG2 3.49Å; F90-I119 HydrophobicContact CE2-CD1 4.34Å; F90-I119 HydrophobicContact CZ-CD1 4.2Å; F90-I119 HydrophobicContact CZ-CG2 3.75Å; F90-A132 HydrophobicContact CD1-CB 4.17Å; F90-A132 HydrophobicContact CE1-CB 3.85Å; F90-V166 HydrophobicContact CD1-CG1 4.12Å; F90-V166 HydrophobicContact CE1-CB 4.29Å; F90-V166 HydrophobicContact CE1-CG1 3.45Å; F90-V166 VanDerWaalsContact CE1-CG1 3.45Å; F90-V166 HydrophobicContact CE1-CG2 4.14Å; F90-V166 HydrophobicContact CZ-CG1 4.25Å; F90-V166 HydrophobicContact CZ-CG2 4.24Å
91	L	53.9	Low	64.2	Low	96 Å²	96	62.9 Å²	62.9	50%	0.503	32%	0.315	S	S	.	.			trans	-59.4	142.4	173.6	-86.3	139.4	0	0	0	108.7	T93	L91-T93 PolarHBondContact O-N 2.84Å
92	R	50.4	Low	62.8	Low	131 Å²	131	61.2 Å²	61.2	49%	0.494	31%	0.311	S	S	.	.			trans	-47.4	116.4	170.7	-97.8	176.5	174.8	-167	-5.1	108.2	F60 S94	F60-R92 PolarHBondContact O-NH2 3.33Å; R92-S94 PolarHBondContact O-N 2.9Å
93	T	44.6	Very low	61.6	Low	25 Å²	25	61.1 Å²	61.1	15%	0.153	31%	0.31	C	S	.	.			trans	-59.5	109.9	153.7	47	0	0	0	0	105	L91 Y95 C96	L91-T93 PolarHBondContact O-N 2.84Å; T93-Y95 PolarHBondContact O-N 3.26Å; T93-C96 PolarHBondContact O-N 3.32Å
94	S	35.4	Very low	61	Low	89 Å²	89	58.9 Å²	58.9	62%	0.622	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	1.6	-173	22.7	0	0	0	0	115	R92	R92-S94 PolarHBondContact O-N 2.9Å
95	Y	39.5	Very low	60.6	Low	168 Å²	168	58.2 Å²	58.2	66%	0.659	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	7.4	-176.3	-60.1	-74.9	0	0	0	114.8	T93	T93-Y95 PolarHBondContact O-N 3.26Å
96	C	40	Very low	60.5	Low	22 Å²	22	58.1 Å²	58.1	15%	0.149	29%	0.292	C	S	.	.			trans	-123.7	98.9	175	-66.6	0	0	0	0	110.9	T93 D98 G128	T93-C96 PolarHBondContact O-N 3.32Å; C96-D98 PolarHBondContact O-N 3.09Å; C96-G128 WeakPolarHBondContact SG-CA 3.44Å
97	T	39.5	Very low	60.6	Low	116 Å²	116	57.4 Å²	57.4	71%	0.712	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.1	-177.4	46.1	0	0	0	0	113.4
98	D	42	Very low	60.8	Low	91 Å²	91	56.1 Å²	56.1	49%	0.487	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	59.2	-166.3	-63.6	-63.9	0	0	0	114.6	C96 H100	C96-D98 PolarHBondContact O-N 3.09Å; D98-H100 PolarHBondContact O-N 2.77Å; D98-H100 IonicContact OD1-CD2 3.77Å
99	L	47.2	Very low	61.2	Low	45 Å²	45	55.8 Å²	55.8	24%	0.236	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	33.9	167.4	-108.7	152.3	0	0	0	113	N101 N123	L99-N101 PolarHBondContact O-N 3.17Å; L99-N123 WeakPolarHBondContact CD2-OD1 3.36Å; L99-N123 WeakPolarHBondContact CG-OD1 3.4Å
100	H	46.2	Very low	61.7	Low	122 Å²	122	50.1 Å²	50.1	57%	0.565	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.8	176.8	-74.8	-64.1	0	0	0	112.8	D98	D98-H100 PolarHBondContact O-N 2.77Å; D98-H100 IonicContact OD1-CD2 3.77Å
101	N	51.7	Low	62.4	Low	90 Å²	90	53.1 Å²	53.1	48%	0.481	27%	0.272	S	S	.	.	S	Bend	trans	-117.2	141.2	-174.8	-71	-32.6	0	0	0	113	L99	L99-N101 PolarHBondContact O-N 3.17Å
102	V	59.8	Low	63.8	Low	31 Å²	31	51.9 Å²	51.9	19%	0.188	28%	0.276	C	S	.	.			trans	-38.5	125.2	-174.1	-177.4	0	0	0	0	114	N124 A690 L693	V102-N124 PolarHBondContact O-N 2.78Å; V102-N124 PolarHBondContact O-OD1 2.86Å; V102-N124 VanDerWaalsContact O-OD1 3.04Å; V102-A690 WeakPolarHBondContact CG1-O 3.05Å; V102-L693 HydrophobicContact CB-CD2 3.84Å; V102-L693 HydrophobicContact CB-CG 4.21Å; V102-L693 HydrophobicContact CG1-CD2 3.16Å; V102-L693 HydrophobicContact CG1-CG 3.72Å; V102-L693 HydrophobicContact CG2-CD1 3.55Å; V102-L693 HydrophobicContact CG2-CD2 3.48Å; V102-L693 VanDerWaalsContact CG2-CD2 3.48Å; V102-L693 HydrophobicContact CG2-CG 3.5Å; V102-L693 VanDerWaalsContact CG2-CG 3.5Å
103	P	66.3	Low	65.5	Low	5 Å²	5	47 Å²	47	3%	0.032	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.2	178.6	30.3	-32.1	0	0	0	111.6	Y56 V105 C122 N686	Y56-P103 HydrophobicContact CD2-CG 4.45Å; Y56-P103 HydrophobicContact CE2-CG 3.76Å; Y56-P103 PolarHBondContact OH-O 3.25Å; P103-V105 HydrophobicContact CB-CG2 4.26Å; P103-V105 HydrophobicContact CG-CG2 4.46Å; P103-C122 CarbonylContact C-O 3.56Å; P103-C122 VanDerWaalsContact CA-O 3.29Å; P103-C122 WeakPolarHBondContact CA-O 3.49Å; P103-N686 PolarHBondContact O-ND2 2.85Å
104	C	75.5	Confident	67.5	Low	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.3	162.4	178	0	0	0	0	108	A121 C122 L233 A690	C104-A121 CarbonylContact O-C 3.3Å; C104-A121 WeakPolarHBondContact O-CA 3.48Å; C104-C122 PolarHBondContact N-O 2.92Å; C104-C122 PolarHBondContact O-N 2.88Å; C104-L233 HydrophobicContact CB-CD1 4.46Å; C104-A690 HydrophobicContact CB-CB 4.17Å
105	V	82.2	Confident	70.1	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.9	-173.7	-176.9	0	0	0	0	110.2	L44 Y56 P103 I119 A121 N685 N686	L44-V105 HydrophobicContact CD1-CG1 3.83Å; L44-V105 HydrophobicContact CD2-CB 4.32Å; L44-V105 HydrophobicContact CD2-CG1 4.47Å; Y56-V105 HydrophobicContact CD1-CB 4.35Å; Y56-V105 HydrophobicContact CD1-CG2 4.06Å; Y56-V105 HydrophobicContact CD2-CG2 4.15Å; Y56-V105 HydrophobicContact CE1-CB 4.13Å; Y56-V105 HydrophobicContact CE1-CG2 3.83Å; Y56-V105 HydrophobicContact CE2-CG2 3.95Å; Y56-V105 HydrophobicContact CG-CG2 4.2Å; P103-V105 HydrophobicContact CB-CG2 4.26Å; P103-V105 HydrophobicContact CG-CG2 4.46Å; V105-I119 HydrophobicContact CG1-CD1 4.08Å; V105-I119 HydrophobicContact CG1-CG1 4.18Å; V105-A121 HydrophobicContact CG2-CB 4.22Å; V105-N685 VanDerWaalsContact O-CA 3.28Å; V105-N685 WeakPolarHBondContact O-CA 3.43Å; V105-N686 PolarHBondContact N-OD1 2.98Å; V105-N686 PolarHBondContact O-N 3.03Å; V105-N686 PolarHBondContact O-OD1 3.42Å
106	R	86.2	Confident	72.5	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.8	173.3	-171.4	175.3	171.8	-147.2	-9.3	108.1	V108 I119 L120 F228 I235 I238 Q667 E683 N685	R106-V108 HydrophobicContact CG-CG2 3.91Å; R106-I119 WeakPolarHBondContact O-CA 2.97Å; R106-L120 HydrophobicContact CB-CB 4.3Å; R106-L120 PolarHBondContact N-O 2.97Å; R106-L120 PolarHBondContact O-N 3.36Å; R106-F228 HydrophobicContact CB-CE1 4.43Å; R106-F228 HydrophobicContact CB-CZ 4.24Å; R106-I235 HydrophobicContact CB-CD1 3.77Å; R106-I235 HydrophobicContact CB-CG1 4.48Å; R106-I238 PolarHBondContact NH1-O 2.84Å; R106-Q667 VanDerWaalsContact NH2-NE2 3.1Å; R106-E683 WeakPolarHBondContact CD-OE1 3.4Å; R106-E683 HydrophobicContact CG-CG 4.18Å; R106-E683 WeakPolarHBondContact CG-OE1 2.96Å; R106-E683 IonicContact CZ-OE1 3.99Å; R106-E683 IonicContact CZ-OE2 2.78Å; R106-E683 IonicContact NE-OE1 2.8Å; R106-E683 PolarHBondContact NE-OE1 3.37Å; R106-E683 IonicContact NE-OE2 3.81Å; R106-E683 PolarHBondContact NE-OE2 3.27Å; R106-E683 IonicContact NH2-OE1 3.55Å; R106-E683 IonicContact NH2-OE2 3.83Å; R106-E683 PolarHBondContact NH2-OE2 3.06Å; R106-N685 HydrophobicContact CB-CB 4.38Å; R106-N685 HydrophobicContact CG-CB 4.28Å
107	F	90.7	Very high	75.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.9	177.5	179.4	-85.1	0	0	0	108.8	L44 I54 L65 F67 Q109 F117 M136 E683 L684	L44-F107 HydrophobicContact CD1-CB 3.97Å; I54-F107 HydrophobicContact CD1-CD1 3.72Å; I54-F107 HydrophobicContact CD1-CE1 3.19Å; I54-F107 HydrophobicContact CD1-CE2 4.13Å; I54-F107 HydrophobicContact CD1-CG 4.37Å; I54-F107 HydrophobicContact CD1-CZ 3.44Å; I54-F107 VanDerWaalsContact CD1-CZ 3.44Å; I54-F107 HydrophobicContact CG2-CD2 4.46Å; L65-F107 HydrophobicContact CD1-CD2 4.41Å; L65-F107 HydrophobicContact CD2-CD2 3.97Å; L65-F107 HydrophobicContact CD2-CE2 3.8Å; F67-F107 HydrophobicContact CE1-CE2 4.29Å; F67-F107 HydrophobicContact CE1-CZ 4.27Å; F67-F107 HydrophobicContact CZ-CE2 4.44Å; F107-Q109 HydrophobicContact CD1-CG 4.44Å; F107-Q109 HydrophobicContact CE1-CG 3.55Å; F107-Q109 HydrophobicContact CZ-CG 4.05Å; F107-F117 HydrophobicContact CD2-CB 4.45Å; F107-F117 HydrophobicContact CD2-CD2 4.17Å; F107-F117 HydrophobicContact CD2-CG 4.42Å; F107-F117 HydrophobicContact CE1-CB 4.17Å; F107-F117 HydrophobicContact CE2-CB 3.56Å; F107-F117 HydrophobicContact CE2-CD1 4Å; F107-F117 AromaticContact CE2-CD2 3.52Å; F107-F117 HydrophobicContact CE2-CD2 3.52Å; F107-F117 HydrophobicContact CE2-CE2 4.19Å; F107-F117 AromaticContact CE2-CG 3.42Å; F107-F117 HydrophobicContact CE2-CG 3.42Å; F107-F117 VanDerWaalsContact CE2-CG 3.42Å; F107-F117 HydrophobicContact CZ-CB 3.38Å; F107-F117 HydrophobicContact CZ-CD1 4.12Å; F107-F117 HydrophobicContact CZ-CD2 4.24Å; F107-F117 AromaticContact CZ-CG 3.68Å; F107-F117 HydrophobicContact CZ-CG 3.68Å; F107-M136 HydrophobicContact CZ-SD 3.73Å; F107-E683 WeakPolarHBondContact O-CA 3.39Å; F107-L684 HydrophobicContact CB-CB 4.32Å; F107-L684 HydrophobicContact CD1-CD1 4.03Å; F107-L684 HydrophobicContact CD1-CG 4.4Å; F107-L684 PolarHBondContact N-O 3.45Å; F107-L684 PolarHBondContact O-N 2.98Å
108	V	92.2	Very high	77.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.7	-169.7	-164.6	0	0	0	0	110.5	R106 F117 L118 V240 L249 I681 H682 E683	R106-V108 HydrophobicContact CG-CG2 3.91Å; V108-F117 CarbonylContact O-C 3.52Å; V108-F117 VanDerWaalsContact O-CA 3.25Å; V108-F117 WeakPolarHBondContact O-CA 3.39Å; V108-L118 HydrophobicContact CB-CB 4.34Å; V108-L118 PolarHBondContact N-O 2.87Å; V108-L118 PolarHBondContact O-N 3.05Å; V108-V240 HydrophobicContact CG1-CG1 3.94Å; V108-L249 HydrophobicContact CG1-CD2 4.06Å; V108-L249 WeakPolarHBondContact O-CD1 3.4Å; V108-I681 HydrophobicContact CG1-CG2 3.24Å; V108-H682 WeakPolarHBondContact CA-O 3.48Å; V108-E683 HydrophobicContact CG2-CG 4.22Å
109	Q	92.4	Very high	80	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.2	172.1	-67	177.6	-80	0	0	110.1	A48 F107 S114 F117 H682	A48-Q109 HydrophobicContact CB-CB 4.26Å; F107-Q109 HydrophobicContact CD1-CG 4.44Å; F107-Q109 HydrophobicContact CE1-CG 3.55Å; F107-Q109 HydrophobicContact CZ-CG 4.05Å; Q109-S114 PolarHBondContact NE2-O 3.23Å; Q109-F117 HydrophobicContact CG-CB 4.1Å; Q109-H682 HydrophobicContact CB-CB 4.35Å; Q109-H682 PolarHBondContact N-O 2.97Å; Q109-H682 PolarHBondContact O-N 3.23Å
110	S	88.4	Confident	81.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.9	164.2	172.4	0	0	0	0	109.4	A112 V113 S114 G247	S110-A112 PolarHBondContact O-N 3.42Å; S110-A112 PolarHBondContact OG-N 2.74Å; S110-A112 VanDerWaalsContact OG-N 3.1Å; S110-V113 CarbonylContact O-C 3.54Å; S110-V113 VanDerWaalsContact O-C 3.25Å; S110-V113 PolarHBondContact OG-N 3.47Å; S110-S114 WeakPolarHBondContact O-CA 3.34Å; S110-S114 PolarHBondContact O-N 3.27Å; S110-G247 WeakPolarHBondContact CB-O 3.38Å; S110-G247 PolarHBondContact OG-O 3.38Å
111	L	86.4	Confident	83.7	Confident	77 Å²	77	21.9 Å²	21.9	40%	0.403	13%	0.133	S	C	.	.	S	Bend	trans	-76.7	-14.1	172.5	-74.1	167.4	0	0	0	112.5	A48 R679 L680 H682	A48-L111 HydrophobicContact CB-CD2 3.96Å; L111-R679 HydrophobicContact CD1-CB 4.1Å; L111-R679 WeakPolarHBondContact CD1-O 3.36Å; L111-L680 PolarHBondContact N-O 2.93Å; L111-H682 HydrophobicContact CD1-CB 4.48Å; L111-H682 HydrophobicContact CD2-CB 3.96Å; L111-H682 HydrophobicContact CG-CB 4.05Å
112	A	83.2	Confident	84.9	Confident	70 Å²	70	17.7 Å²	17.7	58%	0.579	11%	0.111	S	C	*	.	S	Bend	trans	-87.7	-34.4	172.8	0	0	0	0	0	112.1	S110	S110-A112 PolarHBondContact O-N 3.42Å; S110-A112 PolarHBondContact OG-N 2.74Å; S110-A112 VanDerWaalsContact OG-N 3.1Å
113	V	85.3	Confident	85.5	Confident	28 Å²	28	16.3 Å²	16.3	17%	0.17	10%	0.102	C	C	.	.	S	Bend	trans	-131.6	80.7	178.8	-178.1	0	0	0	0	108	S110 N115 T246	S110-V113 CarbonylContact O-C 3.54Å; S110-V113 VanDerWaalsContact O-C 3.25Å; S110-V113 PolarHBondContact OG-N 3.47Å; V113-N115 VanDerWaalsContact C-N 3.31Å; V113-N115 WeakPolarHBondContact CG1-OD1 3.22Å; V113-N115 PolarHBondContact O-N 3.19Å; V113-T246 VanDerWaalsContact CG2-O 3.32Å; V113-T246 WeakPolarHBondContact CG2-O 3.49Å
114	S	87.6	Confident	85.4	Confident	48 Å²	48	19 Å²	19	34%	0.336	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10	-172	56.7	0	0	0	0	114.3	Q109 S110 S116 M136	Q109-S114 PolarHBondContact NE2-O 3.23Å; S110-S114 WeakPolarHBondContact O-CA 3.34Å; S110-S114 PolarHBondContact O-N 3.27Å; S114-S116 VanDerWaalsContact C-N 3.25Å; S114-S116 PolarHBondContact O-N 2.9Å; S114-M136 WeakPolarHBondContact O-CG 3.49Å
115	N	89.2	Confident	84.9	Confident	89 Å²	89	23 Å²	23	48%	0.476	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-7.6	179.2	70.4	-21.8	0	0	0	113.4	V113 L135 M136	V113-N115 VanDerWaalsContact C-N 3.31Å; V113-N115 WeakPolarHBondContact CG1-OD1 3.22Å; V113-N115 PolarHBondContact O-N 3.19Å; N115-L135 CarbonylContact O-C 3.55Å; N115-L135 WeakPolarHBondContact O-CA 3.2Å; N115-L135 VanDerWaalsContact O-CD2 3.3Å; N115-L135 WeakPolarHBondContact O-CD2 3.45Å; N115-M136 PolarHBondContact O-N 2.89Å
116	S	90.9	Very high	84.1	Confident	5 Å²	5	23.4 Å²	23.4	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.5	171.3	67.7	0	0	0	0	111.5	S114 G134	S114-S116 VanDerWaalsContact C-N 3.25Å; S114-S116 PolarHBondContact O-N 2.9Å; S116-G134 CarbonylContact C-O 3.59Å; S116-G134 VanDerWaalsContact CA-O 3.29Å; S116-G134 WeakPolarHBondContact CA-O 3.23Å
117	F	94	Very high	82.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.1	175.3	68.5	-99.6	0	0	0	111.3	L65 F67 F107 V108 Q109 I119 F133 G134 L135 M136	L65-F117 HydrophobicContact CD2-CE2 4.16Å; L65-F117 HydrophobicContact CD2-CZ 4.19Å; F67-F117 HydrophobicContact CZ-CD1 4.39Å; F67-F117 AromaticContact CZ-CE1 3.85Å; F67-F117 HydrophobicContact CZ-CE1 3.85Å; F67-F117 HydrophobicContact CZ-CZ 4.25Å; F107-F117 HydrophobicContact CD2-CB 4.45Å; F107-F117 HydrophobicContact CD2-CD2 4.17Å; F107-F117 HydrophobicContact CD2-CG 4.42Å; F107-F117 HydrophobicContact CE1-CB 4.17Å; F107-F117 HydrophobicContact CE2-CB 3.56Å; F107-F117 HydrophobicContact CE2-CD1 4Å; F107-F117 AromaticContact CE2-CD2 3.52Å; F107-F117 HydrophobicContact CE2-CD2 3.52Å; F107-F117 HydrophobicContact CE2-CE2 4.19Å; F107-F117 AromaticContact CE2-CG 3.42Å; F107-F117 HydrophobicContact CE2-CG 3.42Å; F107-F117 VanDerWaalsContact CE2-CG 3.42Å; F107-F117 HydrophobicContact CZ-CB 3.38Å; F107-F117 HydrophobicContact CZ-CD1 4.12Å; F107-F117 HydrophobicContact CZ-CD2 4.24Å; F107-F117 AromaticContact CZ-CG 3.68Å; F107-F117 HydrophobicContact CZ-CG 3.68Å; V108-F117 CarbonylContact O-C 3.52Å; V108-F117 VanDerWaalsContact O-CA 3.25Å; V108-F117 WeakPolarHBondContact O-CA 3.39Å; Q109-F117 HydrophobicContact CG-CB 4.1Å; F117-I119 HydrophobicContact CD2-CB 4.45Å; F117-I119 HydrophobicContact CE2-CB 4.4Å; F117-I119 HydrophobicContact CE2-CG2 4.21Å; F117-F133 WeakPolarHBondContact O-CA 3.16Å; F117-G134 PolarHBondContact N-O 2.89Å; F117-G134 PolarHBondContact O-N 3.35Å; F117-L135 VanDerWaalsContact CE1-O 3.29Å; F117-L135 WeakPolarHBondContact CE1-O 3.13Å; F117-M136 HydrophobicContact CB-SD 4.45Å; F117-M136 HydrophobicContact CD1-CG 4.3Å; F117-M136 HydrophobicContact CD1-SD 3.81Å
118	L	93.1	Very high	81.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.4	164.5	171.1	76.1	0	0	0	107.5	V108 L120 A132 F133 V240 L249 I251	V108-L118 HydrophobicContact CB-CB 4.34Å; V108-L118 PolarHBondContact N-O 2.87Å; V108-L118 PolarHBondContact O-N 3.05Å; L118-L120 HydrophobicContact CD1-CD2 3.96Å; L118-L120 HydrophobicContact CD2-CD1 4.14Å; L118-L120 HydrophobicContact CD2-CD2 4.13Å; L118-L120 HydrophobicContact CD2-CG 4.03Å; L118-L120 HydrophobicContact CG-CD2 4.08Å; L118-L120 HydrophobicContact CG-CG 4.1Å; L118-A132 WeakPolarHBondContact CA-O 3.36Å; L118-F133 HydrophobicContact CB-CD1 4.17Å; L118-F133 HydrophobicContact CB-CE1 4.08Å; L118-F133 HydrophobicContact CD1-CD1 3.98Å; L118-F133 HydrophobicContact CD1-CE1 3.79Å; L118-F133 HydrophobicContact CD1-CE2 4.49Å; L118-F133 HydrophobicContact CD1-CG 4.42Å; L118-F133 HydrophobicContact CD1-CZ 4.06Å; L118-F133 HydrophobicContact CG-CE1 4.43Å; L118-V240 HydrophobicContact CD2-CG1 4.11Å; L118-V240 HydrophobicContact CD2-CG2 3.77Å; L118-L249 HydrophobicContact CB-CD1 3.93Å; L118-I251 HydrophobicContact CD1-CG2 4.03Å; L118-I251 HydrophobicContact CD2-CG2 3.25Å; L118-I251 HydrophobicContact CG-CG2 4.27Å
119	I	91.7	Very high	81.2	Confident	2 Å²	2	27 Å²	27	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.4	167.1	-172.5	164.5	0	0	0	109.1	L65 F90 V105 R106 F117 A131 A132	L65-I119 HydrophobicContact CD1-CD1 4.07Å; L65-I119 HydrophobicContact CD2-CD1 4.22Å; F90-I119 HydrophobicContact CD1-CG2 4.38Å; F90-I119 HydrophobicContact CE1-CG2 3.49Å; F90-I119 VanDerWaalsContact CE1-CG2 3.49Å; F90-I119 HydrophobicContact CE2-CD1 4.34Å; F90-I119 HydrophobicContact CZ-CD1 4.2Å; F90-I119 HydrophobicContact CZ-CG2 3.75Å; V105-I119 HydrophobicContact CG1-CD1 4.08Å; V105-I119 HydrophobicContact CG1-CG1 4.18Å; R106-I119 WeakPolarHBondContact O-CA 2.97Å; F117-I119 HydrophobicContact CD2-CB 4.45Å; F117-I119 HydrophobicContact CE2-CB 4.4Å; F117-I119 HydrophobicContact CE2-CG2 4.21Å; I119-A131 CarbonylContact O-C 3.51Å; I119-A131 WeakPolarHBondContact O-CA 3.36Å; I119-A132 HydrophobicContact CG2-CB 3.81Å; I119-A132 PolarHBondContact N-O 2.73Å; I119-A132 PolarHBondContact O-N 3.17Å
120	L	87.7	Confident	80.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.2	168.3	-51.8	172.6	0	0	0	106.9	R106 L118 F129 V130 A131 I235 I238 V240	R106-L120 HydrophobicContact CB-CB 4.3Å; R106-L120 PolarHBondContact N-O 2.97Å; R106-L120 PolarHBondContact O-N 3.36Å; L118-L120 HydrophobicContact CD1-CD2 3.96Å; L118-L120 HydrophobicContact CD2-CD1 4.14Å; L118-L120 HydrophobicContact CD2-CD2 4.13Å; L118-L120 HydrophobicContact CD2-CG 4.03Å; L118-L120 HydrophobicContact CG-CD2 4.08Å; L118-L120 HydrophobicContact CG-CG 4.1Å; L120-F129 HydrophobicContact CB-CE2 4.45Å; L120-F129 HydrophobicContact CD2-CZ 4.03Å; L120-V130 CarbonylContact C-O 3.54Å; L120-V130 WeakPolarHBondContact CA-O 3.28Å; L120-A131 HydrophobicContact CD2-CB 3.71Å; L120-I235 HydrophobicContact CB-CD1 3.69Å; L120-I235 HydrophobicContact CB-CG1 3.78Å; L120-I235 HydrophobicContact CD1-CG1 4.37Å; L120-I235 WeakPolarHBondContact O-CD1 3.29Å; L120-I238 HydrophobicContact CD1-CB 4.21Å; L120-I238 HydrophobicContact CD1-CD1 4.26Å; L120-I238 HydrophobicContact CD1-CG2 3.99Å; L120-I238 HydrophobicContact CD2-CD1 4.04Å; L120-V240 HydrophobicContact CD1-CG2 4.17Å
121	A	82.9	Confident	80.5	Confident	7 Å²	7	28.4 Å²	28.4	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.3	174.7	0	0	0	0	0	109.9	C104 V105 F129 V130	C104-A121 CarbonylContact O-C 3.3Å; C104-A121 WeakPolarHBondContact O-CA 3.48Å; V105-A121 HydrophobicContact CG2-CB 4.22Å; A121-F129 CarbonylContact O-C 3.53Å; A121-F129 WeakPolarHBondContact O-CA 3.37Å; A121-F129 WeakPolarHBondContact O-CD2 3.41Å; A121-V130 HydrophobicContact CB-CB 4.37Å; A121-V130 PolarHBondContact N-O 3.04Å; A121-V130 PolarHBondContact O-N 3.36Å
122	C	77.5	Confident	80.6	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.4	170.8	73.8	0	0	0	0	111.8	P103 C104 G128 F129 I235	P103-C122 CarbonylContact C-O 3.56Å; P103-C122 VanDerWaalsContact CA-O 3.29Å; P103-C122 WeakPolarHBondContact CA-O 3.49Å; C104-C122 PolarHBondContact N-O 2.92Å; C104-C122 PolarHBondContact O-N 2.88Å; C122-G128 CarbonylContact C-O 3.59Å; C122-G128 WeakPolarHBondContact CA-O 3.49Å; C122-G128 VanDerWaalsContact CB-O 3.29Å; C122-G128 WeakPolarHBondContact CB-O 3.3Å; C122-F129 HydrophobicContact CB-CD2 4.12Å; C122-I235 HydrophobicContact CB-CB 4.3Å; C122-I235 WeakPolarHBondContact SG-CG2 3.21Å
123	N	71.4	Confident	81	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.011	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	152.4	169.1	-66.4	-5.4	0	0	0	109.8	L99 D125 G126 S127 G128	L99-N123 WeakPolarHBondContact CD2-OD1 3.36Å; L99-N123 WeakPolarHBondContact CG-OD1 3.4Å; N123-D125 WeakPolarHBondContact CB-OD1 3.25Å; N123-D125 PolarHBondContact O-N 3.35Å; N123-G126 PolarHBondContact O-N 3.07Å; N123-S127 PolarHBondContact ND2-OG 3.47Å; N123-G128 PolarHBondContact N-O 3.3Å; N123-G128 PolarHBondContact ND2-N 3.18Å
124	N	65.9	Low	81.2	Confident	61 Å²	61	20.1 Å²	20.1	33%	0.326	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.4	175.5	-89.6	-3.8	0	0	0	113.8	V102 L233 A690	V102-N124 PolarHBondContact O-N 2.78Å; V102-N124 PolarHBondContact O-OD1 2.86Å; V102-N124 VanDerWaalsContact O-OD1 3.04Å; N124-L233 WeakPolarHBondContact O-CD2 3.49Å; N124-A690 PolarHBondContact ND2-O 3.43Å
125	D	63.4	Low	81.4	Confident	85 Å²	85	18.2 Å²	18.2	46%	0.455	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.6	175.4	61.4	5.5	0	0	0	113.1	N123 S127	N123-D125 WeakPolarHBondContact CB-OD1 3.25Å; N123-D125 PolarHBondContact O-N 3.35Å; D125-S127 VanDerWaalsContact CG-OG 3.23Å; D125-S127 PolarHBondContact O-N 3.09Å; D125-S127 VanDerWaalsContact OD1-CB 3.28Å; D125-S127 WeakPolarHBondContact OD1-CB 3.33Å; D125-S127 PolarHBondContact OD1-N 3.42Å; D125-S127 PolarHBondContact OD1-OG 2.83Å; D125-S127 PolarHBondContact OD2-OG 2.7Å
126	G	65	Low	81.6	Confident	8 Å²	8	14.5 Å²	14.5	8%	0.082	8%	0.084	C	C	.	.	S	Bend	trans	72	2.1	-177.5	0	0	0	0	0	115.1	N123 G128 L175 P234	N123-G126 PolarHBondContact O-N 3.07Å; G126-G128 VanDerWaalsContact C-N 3.27Å; G126-G128 PolarHBondContact O-N 2.73Å; G126-L175 WeakPolarHBondContact O-CD2 3.41Å; G126-P234 WeakPolarHBondContact O-CG 3.25Å
127	S	63.1	Low	81.6	Confident	51 Å²	51	14.5 Å²	14.5	36%	0.357	9%	0.085	S	C	.	.	S	Bend	trans	-68.8	-24.7	-178	62.9	0	0	0	0	113.7	N123 D125	N123-S127 PolarHBondContact ND2-OG 3.47Å; D125-S127 VanDerWaalsContact CG-OG 3.23Å; D125-S127 PolarHBondContact O-N 3.09Å; D125-S127 VanDerWaalsContact OD1-CB 3.28Å; D125-S127 WeakPolarHBondContact OD1-CB 3.33Å; D125-S127 PolarHBondContact OD1-N 3.42Å; D125-S127 PolarHBondContact OD1-OG 2.83Å; D125-S127 PolarHBondContact OD2-OG 2.7Å
128	G	69.4	Low	81.4	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.01	10%	0.101	C	C	.	.			trans	-129	141.8	179.5	0	0	0	0	0	112.6	C96 C122 N123 G126	C96-G128 WeakPolarHBondContact SG-CA 3.44Å; C122-G128 CarbonylContact C-O 3.59Å; C122-G128 WeakPolarHBondContact CA-O 3.49Å; C122-G128 VanDerWaalsContact CB-O 3.29Å; C122-G128 WeakPolarHBondContact CB-O 3.3Å; N123-G128 PolarHBondContact N-O 3.3Å; N123-G128 PolarHBondContact ND2-N 3.18Å; G126-G128 VanDerWaalsContact C-N 3.27Å; G126-G128 PolarHBondContact O-N 2.73Å
129	F	76.9	Confident	81.1	Confident	31 Å²	31	20.9 Å²	20.9	14%	0.136	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.5	-173.7	176	-95.5	0	0	0	110.6	L120 A121 C122 A131 L171 I173 P234 I235 I238	L120-F129 HydrophobicContact CB-CE2 4.45Å; L120-F129 HydrophobicContact CD2-CZ 4.03Å; A121-F129 CarbonylContact O-C 3.53Å; A121-F129 WeakPolarHBondContact O-CA 3.37Å; A121-F129 WeakPolarHBondContact O-CD2 3.41Å; C122-F129 HydrophobicContact CB-CD2 4.12Å; F129-A131 HydrophobicContact CE1-CB 3.58Å; F129-A131 HydrophobicContact CZ-CB 3.67Å; F129-L171 HydrophobicContact CE1-CB 4.16Å; F129-L171 HydrophobicContact CE1-CD1 3.62Å; F129-L171 HydrophobicContact CE1-CG 3.94Å; F129-L171 HydrophobicContact CZ-CD1 3.87Å; F129-I173 HydrophobicContact CD1-CD1 4.16Å; F129-I173 HydrophobicContact CE1-CD1 3.91Å; F129-I173 HydrophobicContact CE2-CD1 4.43Å; F129-I173 HydrophobicContact CZ-CD1 4.07Å; F129-P234 HydrophobicContact CD2-CB 4.47Å; F129-I235 HydrophobicContact CE2-CB 4.49Å; F129-I238 HydrophobicContact CE1-CD1 4.04Å; F129-I238 HydrophobicContact CE2-CD1 3.42Å; F129-I238 VanDerWaalsContact CE2-CD1 3.42Å; F129-I238 HydrophobicContact CZ-CD1 3.1Å
130	V	79.6	Confident	81	Confident	28 Å²	28	27.8 Å²	27.8	17%	0.17	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.1	176.4	178.6	0	0	0	0	108.2	L120 A121	L120-V130 CarbonylContact C-O 3.54Å; L120-V130 WeakPolarHBondContact CA-O 3.28Å; A121-V130 HydrophobicContact CB-CB 4.37Å; A121-V130 PolarHBondContact N-O 3.04Å; A121-V130 PolarHBondContact O-N 3.36Å
131	A	86.4	Confident	80.9	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.4	166.3	0	0	0	0	0	109.5	I119 L120 F129 L169 L171	I119-A131 CarbonylContact O-C 3.51Å; I119-A131 WeakPolarHBondContact O-CA 3.36Å; L120-A131 HydrophobicContact CD2-CB 3.71Å; F129-A131 HydrophobicContact CE1-CB 3.58Å; F129-A131 HydrophobicContact CZ-CB 3.67Å; A131-L169 HydrophobicContact CB-CB 4.07Å; A131-L169 HydrophobicContact CB-CD1 4.32Å; A131-L169 PolarHBondContact O-N 3.48Å; A131-L171 HydrophobicContact CB-CD1 3.75Å; A131-L171 HydrophobicContact CB-CG 4.02Å
132	A	89	Confident	80.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.9	174.1	0	0	0	0	0	112.9	F90 L118 I119 V166 L167	F90-A132 HydrophobicContact CD1-CB 4.17Å; F90-A132 HydrophobicContact CE1-CB 3.85Å; L118-A132 WeakPolarHBondContact CA-O 3.36Å; I119-A132 HydrophobicContact CG2-CB 3.81Å; I119-A132 PolarHBondContact N-O 2.73Å; I119-A132 PolarHBondContact O-N 3.17Å; A132-V166 HydrophobicContact CB-CG1 3.36Å; A132-L167 VanDerWaalsContact CA-O 3.28Å; A132-L167 WeakPolarHBondContact CA-O 3.48Å
133	F	90.8	Very high	81.1	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.5	167.7	-74.7	-69.6	0	0	0	110.2	F117 L118 V166 L167 L169 L249 I251 M263 C265 F267	F117-F133 WeakPolarHBondContact O-CA 3.16Å; L118-F133 HydrophobicContact CB-CD1 4.17Å; L118-F133 HydrophobicContact CB-CE1 4.08Å; L118-F133 HydrophobicContact CD1-CD1 3.98Å; L118-F133 HydrophobicContact CD1-CE1 3.79Å; L118-F133 HydrophobicContact CD1-CE2 4.49Å; L118-F133 HydrophobicContact CD1-CG 4.42Å; L118-F133 HydrophobicContact CD1-CZ 4.06Å; L118-F133 HydrophobicContact CG-CE1 4.43Å; F133-V166 CarbonylContact O-C 3.53Å; F133-V166 WeakPolarHBondContact O-CA 3.15Å; F133-V166 VanDerWaalsContact O-CG1 3.28Å; F133-V166 WeakPolarHBondContact O-CG1 3.32Å; F133-L167 PolarHBondContact N-O 3Å; F133-L167 PolarHBondContact O-N 2.89Å; F133-L169 HydrophobicContact CD2-CD1 3.71Å; F133-L169 HydrophobicContact CD2-CD2 4.35Å; F133-L169 HydrophobicContact CD2-CG 4.34Å; F133-L169 HydrophobicContact CE2-CD1 3.64Å; F133-L249 HydrophobicContact CE1-CB 4.06Å; F133-I251 HydrophobicContact CZ-CG1 4.37Å; F133-I251 HydrophobicContact CZ-CG2 4.43Å; F133-M263 HydrophobicContact CE2-CG 4.46Å; F133-M263 HydrophobicContact CE2-SD 4.49Å; F133-C265 HydrophobicContact CB-CB 4.09Å; F133-C265 HydrophobicContact CD1-CB 4.01Å; F133-C265 HydrophobicContact CD2-CB 3.37Å; F133-C265 HydrophobicContact CE1-CB 4.26Å; F133-C265 HydrophobicContact CE2-CB 3.65Å; F133-C265 HydrophobicContact CG-CB 3.57Å; F133-C265 HydrophobicContact CZ-CB 4.1Å; F133-F267 HydrophobicContact CB-CE2 3.91Å; F133-F267 HydrophobicContact CB-CZ 3.76Å
134	G	90.8	Very high	81.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	171.5	176.6	0	0	0	0	0	113.5	S116 F117	S116-G134 CarbonylContact C-O 3.59Å; S116-G134 VanDerWaalsContact CA-O 3.29Å; S116-G134 WeakPolarHBondContact CA-O 3.23Å; F117-G134 PolarHBondContact N-O 2.89Å; F117-G134 PolarHBondContact O-N 3.35Å
135	L	91.1	Very high	82.6	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.7	173.1	-79.2	175.7	0	0	0	111.2	N115 F117 I162 F267 V555	N115-L135 CarbonylContact O-C 3.55Å; N115-L135 WeakPolarHBondContact O-CA 3.2Å; N115-L135 VanDerWaalsContact O-CD2 3.3Å; N115-L135 WeakPolarHBondContact O-CD2 3.45Å; F117-L135 VanDerWaalsContact CE1-O 3.29Å; F117-L135 WeakPolarHBondContact CE1-O 3.13Å; L135-I162 HydrophobicContact CD1-CG2 4.34Å; L135-F267 HydrophobicContact CD1-CB 3.88Å; L135-F267 HydrophobicContact CD1-CG 4.24Å; L135-F267 HydrophobicContact CD2-CB 3.66Å; L135-F267 HydrophobicContact CD2-CD2 3.93Å; L135-F267 HydrophobicContact CD2-CG 4.02Å; L135-F267 HydrophobicContact CG-CB 3.78Å; L135-F267 HydrophobicContact CG-CD1 4.44Å; L135-F267 HydrophobicContact CG-CD2 3.92Å; L135-F267 HydrophobicContact CG-CG 3.8Å; L135-V555 HydrophobicContact CD1-CG2 3.78Å
136	M	92.2	Very high	83.3	Confident	10 Å²	10	37 Å²	37	5%	0.049	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-61.2	145.1	167.6	-71.4	-60.8	-66.7	0	0	110.1	F52 I54 F67 F107 S114 N115 F117 H163	F52-M136 HydrophobicContact CD2-CE 3.74Å; F52-M136 HydrophobicContact CE2-CE 4.35Å; F52-M136 HydrophobicContact CG-CE 4.43Å; I54-M136 HydrophobicContact CD1-CE 4.46Å; F67-M136 HydrophobicContact CD1-CE 3.81Å; F67-M136 HydrophobicContact CD1-SD 4.32Å; F67-M136 HydrophobicContact CE1-CE 3.73Å; F67-M136 HydrophobicContact CE1-SD 3.62Å; F67-M136 HydrophobicContact CZ-SD 4.39Å; F107-M136 HydrophobicContact CZ-SD 3.73Å; S114-M136 WeakPolarHBondContact O-CG 3.49Å; N115-M136 PolarHBondContact O-N 2.89Å; F117-M136 HydrophobicContact CB-SD 4.45Å; F117-M136 HydrophobicContact CD1-CG 4.3Å; F117-M136 HydrophobicContact CD1-SD 3.81Å; M136-H163 PolarHBondContact O-CD2 3.35Å
137	P	91.1	Very high	83.7	Confident	6 Å²	6	37.3 Å²	37.3	4%	0.039	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-57.7	139.3	165.3	-16.9	29.6	0	0	0	110.5	F52 F67 H85 S86	F52-P137 HydrophobicContact CE1-CB 4.42Å; F52-P137 WeakPolarHBondContact CE2-O 3.4Å; F52-P137 HydrophobicContact CZ-CB 3.97Å; F52-P137 HydrophobicContact CZ-CG 4.5Å; F67-P137 HydrophobicContact CB-CG 3.86Å; F67-P137 HydrophobicContact CD1-CG 4.09Å; F67-P137 HydrophobicContact CD2-CG 3.76Å; F67-P137 HydrophobicContact CE2-CG 4.3Å; F67-P137 HydrophobicContact CG-CG 3.63Å; H85-P137 VanDerWaalsContact CD2-CB 3.49Å; H85-P137 WeakPolarHBondContact CD2-CB 3.46Å; S86-P137 VanDerWaalsContact CB-CG 3.48Å
138	D	89.4	Confident	84.4	Confident	63 Å²	63	36.1 Å²	36.1	34%	0.337	20%	0.198	S	C	.	.			trans	-107.1	126.2	178.2	-176.2	0.5	0	0	0	109.9	D140 C141 C144 H163	D138-D140 VanDerWaalsContact C-N 3.28Å; D138-D140 PolarHBondContact OD1-N 3.15Å; D138-C141 HydrophobicContact CB-CB 3.78Å; D138-C141 PolarHBondContact O-N 3.17Å; D138-C144 WeakPolarHBondContact O-CB 3.21Å; D138-H163 VanDerWaalsContact CB-CE1 3.4Å; D138-H163 WeakPolarHBondContact CB-CE1 3.45Å; D138-H163 IonicContact OD2-CE1 3.07Å
139	L	88.3	Confident	84.4	Confident	70 Å²	70	40 Å²	40	37%	0.366	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.5	179.1	-60.5	-178.8	0	0	0	112.1	C51 F52 L69 C141	C51-L139 HydrophobicContact CB-CD1 4.19Å; F52-L139 HydrophobicContact CE1-CD2 3.97Å; F52-L139 HydrophobicContact CZ-CD2 3.57Å; F52-L139 HydrophobicContact CZ-CG 4.06Å; L69-L139 HydrophobicContact CD2-CD2 3.34Å; L139-C141 VanDerWaalsContact C-N 3.31Å
140	D	88.8	Confident	83.5	Confident	148 Å²	148	40.3 Å²	40.3	79%	0.791	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.2	-178.3	-63.5	-35	0	0	0	112	D138 D142	D138-D140 VanDerWaalsContact C-N 3.28Å; D138-D140 PolarHBondContact OD1-N 3.15Å; D140-D142 PolarHBondContact O-N 2.94Å
141	C	85.7	Confident	82.2	Confident	16 Å²	16	42.5 Å²	42.5	11%	0.108	24%	0.241	C	C	.	.			trans	-82.8	114.5	176.4	179.9	0	0	0	0	110.8	D138 L139 I143 C144 S145	D138-C141 HydrophobicContact CB-CB 3.78Å; D138-C141 PolarHBondContact O-N 3.17Å; L139-C141 VanDerWaalsContact C-N 3.31Å; C141-I143 PolarHBondContact O-N 3.36Å; C141-I143 VanDerWaalsContact O-N 3.17Å; C141-C144 HydrophobicContact CB-CB 3.88Å; C141-C144 WeakPolarHBondContact O-CA 3.47Å; C141-C144 WeakPolarHBondContact O-CB 3.31Å; C141-C144 PolarHBondContact O-N 3.01Å; C141-S145 PolarHBondContact O-N 2.85Å
142	D	83.5	Confident	80.2	Confident	125 Å²	125	49.8 Å²	49.8	67%	0.668	28%	0.28	S	S	*	.	H	α-helix	trans	-52.1	-40.7	176.9	-65.4	-31.6	0	0	0	112.1	D140 S145 E146	D140-D142 PolarHBondContact O-N 2.94Å; D142-S145 PolarHBondContact O-N 3.43Å; D142-E146 WeakPolarHBondContact O-CB 3.48Å; D142-E146 WeakPolarHBondContact O-CG 3.09Å; D142-E146 PolarHBondContact O-N 3.46Å
143	I	81.7	Confident	77.7	Confident	29 Å²	29	54.6 Å²	54.6	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-37.6	-179.8	-46.3	175.5	0	0	0	111	C141 A147 C160 I162 R553	C141-I143 PolarHBondContact O-N 3.36Å; C141-I143 VanDerWaalsContact O-N 3.17Å; I143-A147 WeakPolarHBondContact O-CB 3.29Å; I143-A147 PolarHBondContact O-N 3Å; I143-C160 HydrophobicContact CG2-CB 4.26Å; I143-I162 HydrophobicContact CD1-CD1 4.2Å; I143-R553 HydrophobicContact CD1-CB 4.33Å; I143-R553 HydrophobicContact CD1-CG 4.22Å
144	C	84.8	Confident	75.2	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.02	35%	0.348	C	S	.	.	H	α-helix	trans	-64.2	-44.9	172.8	-82	0	0	0	0	111.2	D138 C141 A147 S148 C160 H163	D138-C144 WeakPolarHBondContact O-CB 3.21Å; C141-C144 HydrophobicContact CB-CB 3.88Å; C141-C144 WeakPolarHBondContact O-CA 3.47Å; C141-C144 WeakPolarHBondContact O-CB 3.31Å; C141-C144 PolarHBondContact O-N 3.01Å; C144-A147 PolarHBondContact O-N 3.01Å; C144-S148 WeakPolarHBondContact O-CB 3.29Å; C144-S148 PolarHBondContact O-N 3.38Å; C144-S148 PolarHBondContact O-OG 3.12Å; C144-C160 HydrophobicContact CB-CB 4.43Å; C144-C160 VanDerWaalsContact SG-CB 3.51Å; C144-C160 PolarHBondContact SG-SG 2.99Å; C144-H163 PolarHBondContact SG-ND1 3.25Å
145	S	82.7	Confident	72.9	Confident	52 Å²	52	67 Å²	67	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-49.1	178.8	-72.6	0	0	0	0	111.6	C141 D142 A147 S148 S149	C141-S145 PolarHBondContact O-N 2.85Å; D142-S145 PolarHBondContact O-N 3.43Å; S145-A147 PolarHBondContact O-N 2.52Å; S145-S148 PolarHBondContact O-N 3.08Å; S145-S148 PolarHBondContact O-OG 2.77Å; S145-S149 WeakPolarHBondContact O-CB 2.93Å; S145-S149 PolarHBondContact O-N 3.08Å; S145-S149 PolarHBondContact O-OG 3.11Å
146	E	78.8	Confident	70.6	Confident	126 Å²	126	71.3 Å²	71.3	59%	0.589	41%	0.408	S	S	*	.	H	α-helix	trans	-57.2	-50.5	175	-76.1	179	179.6	0	0	111.7	D142 S148 S149 A150	D142-E146 WeakPolarHBondContact O-CB 3.48Å; D142-E146 WeakPolarHBondContact O-CG 3.09Å; D142-E146 PolarHBondContact O-N 3.46Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 2.89Å; E146-S149 PolarHBondContact O-N 3.36Å; E146-S149 VanDerWaalsContact O-N 3.17Å; E146-S149 PolarHBondContact O-OG 2.77Å; E146-A150 PolarHBondContact O-N 3.05Å; E146-A150 VanDerWaalsContact O-N 3.09Å
147	A	73.7	Confident	68.8	Low	14 Å²	14	75.9 Å²	75.9	12%	0.116	43%	0.427	C	S	.	.	H	α-helix	trans	-55.9	-43	177.2	0	0	0	0	0	112.8	I143 C144 S145 S158	I143-A147 WeakPolarHBondContact O-CB 3.29Å; I143-A147 PolarHBondContact O-N 3Å; C144-A147 PolarHBondContact O-N 3.01Å; S145-A147 PolarHBondContact O-N 2.52Å; A147-S158 WeakPolarHBondContact CB-O 3.17Å
148	S	76.8	Confident	67.3	Low	26 Å²	26	78.2 Å²	78.2	18%	0.182	44%	0.444	C	S	.	.	H	α-helix	trans	-68.7	-36.6	179	74.2	0	0	0	0	112.5	C144 S145 E146	C144-S148 WeakPolarHBondContact O-CB 3.29Å; C144-S148 PolarHBondContact O-N 3.38Å; C144-S148 PolarHBondContact O-OG 3.12Å; S145-S148 PolarHBondContact O-N 3.08Å; S145-S148 PolarHBondContact O-OG 2.77Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 2.89Å
149	S	70.2	Confident	66.7	Low	83 Å²	83	78.7 Å²	78.7	58%	0.58	45%	0.449	S	S	*	.	H	α-helix	trans	-73.5	-27.2	-178.8	73	0	0	0	0	113.6	S145 E146 Q151	S145-S149 WeakPolarHBondContact O-CB 2.93Å; S145-S149 PolarHBondContact O-N 3.08Å; S145-S149 PolarHBondContact O-OG 3.11Å; E146-S149 PolarHBondContact O-N 3.36Å; E146-S149 VanDerWaalsContact O-N 3.17Å; E146-S149 PolarHBondContact O-OG 2.77Å; S149-Q151 PolarHBondContact O-N 2.95Å
150	A	57.2	Low	66.4	Low	36 Å²	36	75.4 Å²	75.4	30%	0.298	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-71.8	-8.3	-177.9	0	0	0	0	0	114	E146 N152 C153 S158	E146-A150 PolarHBondContact O-N 3.05Å; E146-A150 VanDerWaalsContact O-N 3.09Å; A150-N152 PolarHBondContact O-N 2.79Å; A150-C153 PolarHBondContact O-N 2.78Å; A150-C153 VanDerWaalsContact O-N 3.07Å; A150-S158 WeakPolarHBondContact CB-OG 3.28Å
151	Q	52.7	Low	65.8	Low	75 Å²	75	69.3 Å²	69.3	35%	0.35	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-55.9	-20.5	-179	-81.5	176.4	4.5	0	0	114.4	L84 S149	L84-Q151 PolarHBondContact O-NE2 3.07Å; L84-Q151 PolarHBondContact O-OE1 3.35Å; S149-Q151 PolarHBondContact O-N 2.95Å
152	N	45.7	Very low	65.6	Low	153 Å²	153	69.5 Å²	69.5	82%	0.818	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-90.2	-4.7	-179.5	-74.7	-27.1	0	0	0	115	A150	A150-N152 PolarHBondContact O-N 2.79Å
153	C	36.6	Very low	65.8	Low	102 Å²	102	64.6 Å²	64.6	69%	0.689	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-13.3	-164.8	-69.3	0	0	0	0	120.1	A150	A150-C153 PolarHBondContact O-N 2.78Å; A150-C153 VanDerWaalsContact O-N 3.07Å
154	L	37.6	Very low	65.9	Low	143 Å²	143	64 Å²	64	75%	0.749	37%	0.372	S	S	*	.			trans	-157.8	160.2	173.8	-90.6	118.8	0	0	0	113.8	N156	L154-N156 VanDerWaalsContact C-N 3.28Å; L154-N156 PolarHBondContact O-N 2.83Å
155	P	41.7	Very low	65.8	Low	119 Å²	119	64.2 Å²	64.2	77%	0.773	37%	0.373	S	S	*	.	S	Bend	trans	-68	-22.9	-176.1	-14.9	28.9	0	0	0	114.4	K157	P155-K157 PolarHBondContact O-N 3.36Å
156	N	42.8	Very low	66	Low	99 Å²	99	62.3 Å²	62.3	53%	0.529	36%	0.359	S	S	.	.	S	Bend	trans	-91.9	92.9	177.6	-70.8	2.9	0	0	0	108.1	L154 S158	L154-N156 VanDerWaalsContact C-N 3.28Å; L154-N156 PolarHBondContact O-N 2.83Å; N156-S158 PolarHBondContact O-N 3Å
157	K	54.8	Low	66.2	Low	106 Å²	106	56.3 Å²	56.3	46%	0.461	33%	0.331	S	S	.	.			trans	-55.6	109.6	171.2	-71.4	-177.5	-178.5	178.8	0	108.4	E87 P155 T159	E87-K157 VanDerWaalsContact OE1-CD 3.29Å; E87-K157 WeakPolarHBondContact OE1-CD 3.5Å; E87-K157 IonicContact OE1-NZ 3.98Å; E87-K157 PolarHBondContact OE1-NZ 3.45Å; E87-K157 IonicContact OE2-NZ 3.27Å; E87-K157 PolarHBondContact OE2-NZ 3.12Å; P155-K157 PolarHBondContact O-N 3.36Å; K157-T159 PolarHBondContact O-N 2.95Å
158	S	60.9	Low	66.7	Low	55 Å²	55	56.9 Å²	56.9	39%	0.385	33%	0.333	S	S	.	.			trans	-64	126.8	169.3	50.2	0	0	0	0	107.8	A147 A150 N156	A147-S158 WeakPolarHBondContact CB-O 3.17Å; A150-S158 WeakPolarHBondContact CB-OG 3.28Å; N156-S158 PolarHBondContact O-N 3Å
159	T	75.8	Confident	66.9	Low	72 Å²	72	55.8 Å²	55.8	44%	0.442	33%	0.325	S	S	.	.			trans	-105.8	149.4	176.4	51.4	0	0	0	0	109.1	K157 S161	K157-T159 PolarHBondContact O-N 2.95Å; T159-S161 PolarHBondContact O-N 3.17Å
160	C	81.9	Confident	67.4	Low	1 Å²	1	54.2 Å²	54.2	1%	0.007	31%	0.31	C	S	.	.			trans	-69.2	117.1	179.2	174.8	0	0	0	0	110.9	I143 C144 I162 H163 S164	I143-C160 HydrophobicContact CG2-CB 4.26Å; C144-C160 HydrophobicContact CB-CB 4.43Å; C144-C160 VanDerWaalsContact SG-CB 3.51Å; C144-C160 PolarHBondContact SG-SG 2.99Å; C160-I162 PolarHBondContact O-N 2.79Å; C160-H163 HydrophobicContact CB-CB 4.47Å; C160-H163 PolarHBondContact O-N 3.46Å; C160-H163 PolarHBondContact SG-N 2.76Å; C160-H163 VanDerWaalsContact SG-N 3.44Å; C160-S164 WeakPolarHBondContact O-CA 3.31Å; C160-S164 WeakPolarHBondContact O-CB 3.41Å; C160-S164 PolarHBondContact O-N 3.12Å; C160-S164 PolarHBondContact O-OG 2.95Å
161	S	77.2	Confident	68.5	Low	20 Å²	20	53.5 Å²	53.5	14%	0.14	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-2.7	-177.7	68.8	0	0	0	0	116.4	T159 H165 R553	T159-S161 PolarHBondContact O-N 3.17Å; S161-H165 PolarHBondContact O-CD2 2.79Å; S161-H165 PolarHBondContact O-NE2 2.79Å; S161-R553 PolarHBondContact OG-O 3.02Å
162	I	81.2	Confident	69.6	Low	20 Å²	20	52.1 Å²	52.1	10%	0.103	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-62	178.6	-60	174.8	0	0	0	108.9	L135 I143 C160 S164 P269 V555	L135-I162 HydrophobicContact CD1-CG2 4.34Å; I143-I162 HydrophobicContact CD1-CD1 4.2Å; C160-I162 PolarHBondContact O-N 2.79Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 3.4Å; I162-P269 HydrophobicContact CD1-CB 4.45Å; I162-P269 HydrophobicContact CG2-CB 4Å; I162-V555 HydrophobicContact CG2-CB 4.41Å
163	H	87.2	Confident	70.9	Confident	22 Å²	22	45.9 Å²	45.9	10%	0.102	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.2	-172.8	-55.4	108.2	0	0	0	113	R88 M136 D138 C144 C160	R88-H163 PolarHBondContact NE-O 3.3Å; R88-H163 VanDerWaalsContact NH2-C 3.3Å; R88-H163 PolarHBondContact NH2-O 3.18Å; M136-H163 PolarHBondContact O-CD2 3.35Å; D138-H163 VanDerWaalsContact CB-CE1 3.4Å; D138-H163 WeakPolarHBondContact CB-CE1 3.45Å; D138-H163 IonicContact OD2-CE1 3.07Å; C144-H163 PolarHBondContact SG-ND1 3.25Å; C160-H163 HydrophobicContact CB-CB 4.47Å; C160-H163 PolarHBondContact O-N 3.46Å; C160-H163 PolarHBondContact SG-N 2.76Å; C160-H163 VanDerWaalsContact SG-N 3.44Å
164	S	84.3	Confident	72	Confident	16 Å²	16	43.1 Å²	43.1	11%	0.112	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.3	179.1	75.9	0	0	0	0	115.2	R88 C160 I162	R88-S164 WeakPolarHBondContact CD-O 3.3Å; R88-S164 VanDerWaalsContact NE-CA 3.35Å; R88-S164 PolarHBondContact NE-O 3.23Å; C160-S164 WeakPolarHBondContact O-CA 3.31Å; C160-S164 WeakPolarHBondContact O-CB 3.41Å; C160-S164 PolarHBondContact O-N 3.12Å; C160-S164 PolarHBondContact O-OG 2.95Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 3.4Å
165	H	81.9	Confident	72.7	Confident	9 Å²	9	41.3 Å²	41.3	4%	0.042	24%	0.235	C	C	.	.			trans	-77.5	141.4	-171.6	-68.2	-69.1	0	0	0	112	S161 S437 E524 W525 V555	S161-H165 PolarHBondContact O-CD2 2.79Å; S161-H165 PolarHBondContact O-NE2 2.79Å; H165-S437 WeakPolarHBondContact NE2-CB 3.49Å; H165-S437 PolarHBondContact NE2-OG 2.87Å; H165-E524 IonicContact CE1-OE2 3.35Å; H165-E524 IonicContact ND1-OE2 3.71Å; H165-E524 PolarHBondContact ND1-OE2 2.81Å; H165-E524 VanDerWaalsContact ND1-OE2 3.08Å; H165-W525 HydrophobicContact CB-CH2 4.08Å; H165-W525 HydrophobicContact CB-CZ2 3.68Å; H165-V555 HydrophobicContact CB-CG1 3.97Å
166	V	86.6	Confident	72.9	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.5	172.4	-173.4	0	0	0	0	106.3	R88 F90 A132 F133 P168 W525	R88-V166 HydrophobicContact CB-CG2 4.24Å; R88-V166 HydrophobicContact CG-CG2 4.24Å; F90-V166 HydrophobicContact CD1-CG1 4.12Å; F90-V166 HydrophobicContact CE1-CB 4.29Å; F90-V166 HydrophobicContact CE1-CG1 3.45Å; F90-V166 VanDerWaalsContact CE1-CG1 3.45Å; F90-V166 HydrophobicContact CE1-CG2 4.14Å; F90-V166 HydrophobicContact CZ-CG1 4.25Å; F90-V166 HydrophobicContact CZ-CG2 4.24Å; A132-V166 HydrophobicContact CB-CG1 3.36Å; F133-V166 CarbonylContact O-C 3.53Å; F133-V166 WeakPolarHBondContact O-CA 3.15Å; F133-V166 VanDerWaalsContact O-CG1 3.28Å; F133-V166 WeakPolarHBondContact O-CG1 3.32Å; V166-P168 WeakPolarHBondContact O-CD 2.97Å; V166-W525 PolarHBondContact O-NE1 3.12Å
167	L	84.5	Confident	72.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	100.7	171.3	-178.5	62.2	0	0	0	109.7	A132 F133 L169 L435 F520 W525 A557 L559	A132-L167 VanDerWaalsContact CA-O 3.28Å; A132-L167 WeakPolarHBondContact CA-O 3.48Å; F133-L167 PolarHBondContact N-O 3Å; F133-L167 PolarHBondContact O-N 2.89Å; L167-L169 HydrophobicContact CG-CD2 4.44Å; L167-L435 HydrophobicContact CD1-CD1 3.77Å; L167-L435 HydrophobicContact CD2-CD1 4.05Å; L167-F520 HydrophobicContact CD1-CB 4.35Å; L167-W525 HydrophobicContact CB-CZ2 4.07Å; L167-W525 HydrophobicContact CD1-CD2 4.23Å; L167-W525 HydrophobicContact CD1-CG 3.94Å; L167-A557 HydrophobicContact CD2-CB 4.13Å; L167-L559 HydrophobicContact CD2-CD1 3.37Å; L167-L559 HydrophobicContact CD2-CD2 3.52Å; L167-L559 HydrophobicContact CD2-CG 3.83Å
168	P	83.6	Confident	71.7	Confident	26 Å²	26	40.6 Å²	40.6	17%	0.169	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.8	174.2	-13.7	29.6	0	0	0	111.2	V166 D521	V166-P168 WeakPolarHBondContact O-CD 2.97Å; P168-D521 HydrophobicContact CB-CB 3.87Å; P168-D521 HydrophobicContact CG-CB 3.89Å; P168-D521 PolarHBondContact O-N 2.93Å
169	L	81.7	Confident	70.2	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.5	179.1	-51.4	176.3	0	0	0	109.7	A131 F133 L167 L171 I251 M263 L559	A131-L169 HydrophobicContact CB-CB 4.07Å; A131-L169 HydrophobicContact CB-CD1 4.32Å; A131-L169 PolarHBondContact O-N 3.48Å; F133-L169 HydrophobicContact CD2-CD1 3.71Å; F133-L169 HydrophobicContact CD2-CD2 4.35Å; F133-L169 HydrophobicContact CD2-CG 4.34Å; F133-L169 HydrophobicContact CE2-CD1 3.64Å; L167-L169 HydrophobicContact CG-CD2 4.44Å; L169-L171 HydrophobicContact CB-CD2 3.83Å; L169-L171 HydrophobicContact CB-CG 4.37Å; L169-L171 HydrophobicContact CD1-CD2 4.25Å; L169-I251 HydrophobicContact CD1-CD1 3.79Å; L169-M263 HydrophobicContact CD1-SD 3.9Å; L169-M263 HydrophobicContact CD2-SD 3.76Å; L169-M263 HydrophobicContact CG-SD 4.43Å; L169-L559 HydrophobicContact CD2-CD2 4.13Å
170	N	79.5	Confident	68	Low	49 Å²	49	44 Å²	44	26%	0.262	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	91.4	171.6	-67.9	-30.5	0	0	0	108.6	T518 S519	N170-T518 WeakPolarHBondContact O-CG2 3.17Å; N170-S519 WeakPolarHBondContact CB-O 3.47Å; N170-S519 VanDerWaalsContact CB-OG 3.26Å; N170-S519 WeakPolarHBondContact CB-OG 3.41Å; N170-S519 PolarHBondContact N-O 3.21Å
171	L	80.2	Confident	65.6	Low	21 Å²	21	50.1 Å²	50.1	11%	0.11	28%	0.281	C	S	.	.			trans	-81.3	132.8	179.7	-50.3	-173.7	0	0	0	110.2	F129 A131 L169 I173 I238 I251 W253 T518	F129-L171 HydrophobicContact CE1-CB 4.16Å; F129-L171 HydrophobicContact CE1-CD1 3.62Å; F129-L171 HydrophobicContact CE1-CG 3.94Å; F129-L171 HydrophobicContact CZ-CD1 3.87Å; A131-L171 HydrophobicContact CB-CD1 3.75Å; A131-L171 HydrophobicContact CB-CG 4.02Å; L169-L171 HydrophobicContact CB-CD2 3.83Å; L169-L171 HydrophobicContact CB-CG 4.37Å; L169-L171 HydrophobicContact CD1-CD2 4.25Å; L171-I173 HydrophobicContact CB-CD1 3.81Å; L171-I173 HydrophobicContact CB-CG1 3.81Å; L171-I173 HydrophobicContact CD1-CD1 3.93Å; L171-I173 PolarHBondContact O-N 3.09Å; L171-I238 HydrophobicContact CD1-CD1 3.72Å; L171-I238 HydrophobicContact CD1-CG1 4.45Å; L171-I251 HydrophobicContact CD1-CD1 4.1Å; L171-I251 HydrophobicContact CD2-CD1 4.12Å; L171-W253 HydrophobicContact CB-CZ2 4.5Å; L171-W253 HydrophobicContact CD1-CD2 4.49Å; L171-W253 HydrophobicContact CD2-CD2 4.47Å; L171-W253 HydrophobicContact CD2-CE3 4.41Å; L171-W253 HydrophobicContact CD2-CH2 3.68Å; L171-W253 HydrophobicContact CD2-CZ2 3.7Å; L171-W253 HydrophobicContact CD2-CZ3 4.05Å; L171-T518 HydrophobicContact CD2-CG2 3.9Å
172	D	76.3	Confident	63.3	Low	46 Å²	46	53 Å²	53	25%	0.246	30%	0.3	C	S	.	.			trans	-81.5	60	175.8	61.4	-27.1	0	0	0	111.6	W253 N255 P256 K261	D172-W253 PolarHBondContact OD1-NE1 2.85Å; D172-N255 WeakPolarHBondContact OD2-CB 3.3Å; D172-N255 PolarHBondContact OD2-ND2 3.28Å; D172-P256 WeakPolarHBondContact O-CD 3.41Å; D172-K261 IonicContact OD1-NZ 2.79Å; D172-K261 PolarHBondContact OD1-NZ 3.35Å; D172-K261 VanDerWaalsContact OD2-CE 3.31Å; D172-K261 WeakPolarHBondContact OD2-CE 3.35Å; D172-K261 IonicContact OD2-NZ 3.84Å; D172-K261 PolarHBondContact OD2-NZ 3.2Å
173	I	72.5	Confident	61.1	Low	22 Å²	22	59.8 Å²	59.8	11%	0.113	33%	0.334	C	S	.	.			trans	-85.5	129.1	179.4	-59.5	169	0	0	0	108.5	F129 L171 L175 P234 I238 W253	F129-I173 HydrophobicContact CD1-CD1 4.16Å; F129-I173 HydrophobicContact CE1-CD1 3.91Å; F129-I173 HydrophobicContact CE2-CD1 4.43Å; F129-I173 HydrophobicContact CZ-CD1 4.07Å; L171-I173 HydrophobicContact CB-CD1 3.81Å; L171-I173 HydrophobicContact CB-CG1 3.81Å; L171-I173 HydrophobicContact CD1-CD1 3.93Å; L171-I173 PolarHBondContact O-N 3.09Å; I173-L175 PolarHBondContact O-N 2.88Å; I173-P234 HydrophobicContact CG2-CB 4.18Å; I173-I238 HydrophobicContact CD1-CD1 3.51Å; I173-I238 HydrophobicContact CD1-CG1 3.69Å; I173-W253 HydrophobicContact CG1-CG 4.33Å
174	S	59.3	Low	58.1	Low	44 Å²	44	66.4 Å²	66.4	31%	0.308	36%	0.363	S	S	.	.			trans	-58.2	108.8	170.1	-41	0	0	0	0	108.9	A176 R237 P256	S174-A176 PolarHBondContact O-N 2.93Å; S174-A176 VanDerWaalsContact O-N 3.1Å; S174-R237 PolarHBondContact O-NH1 2.86Å; S174-P256 WeakPolarHBondContact OG-CG 3.38Å
175	L	53.6	Low	55.5	Low	106 Å²	106	70.8 Å²	70.8	56%	0.555	39%	0.393	S	S	*	.			trans	-56.7	117.5	168.4	-72	162.7	0	0	0	106.3	G126 I173 Q177	G126-L175 WeakPolarHBondContact O-CD2 3.41Å; I173-L175 PolarHBondContact O-N 2.88Å; L175-Q177 PolarHBondContact O-N 2.83Å
176	A	45.4	Very low	52.8	Low	32 Å²	32	75.7 Å²	75.7	26%	0.264	42%	0.42	S	S	.	.			trans	-64.4	105.9	175.7	0	0	0	0	0	107.1	S174 E178	S174-A176 PolarHBondContact O-N 2.93Å; S174-A176 VanDerWaalsContact O-N 3.1Å; A176-E178 HydrophobicContact CB-CB 4.12Å; A176-E178 HydrophobicContact CB-CG 4.29Å; A176-E178 PolarHBondContact O-N 2.87Å
177	Q	35.7	Very low	50.1	Low	200 Å²	200	86.3 Å²	86.3	94%	0.935	46%	0.459	S	S	*	.			trans	-68.7	26.5	155	-83.5	-169.5	-14.6	0	0	111	L175 S179	L175-Q177 PolarHBondContact O-N 2.83Å; Q177-S179 PolarHBondContact O-N 2.84Å
178	E	37.2	Very low	47.4	Very low	77 Å²	77	92.5 Å²	92.5	36%	0.36	49%	0.492	S	S	.	.			trans	-78.1	115.2	172.1	-70.2	-174.7	149.7	0	0	105.9	A176 R237 S605	A176-E178 HydrophobicContact CB-CB 4.12Å; A176-E178 HydrophobicContact CB-CG 4.29Å; A176-E178 PolarHBondContact O-N 2.87Å; E178-R237 IonicContact OE2-NH2 2.87Å; E178-S605 PolarHBondContact OE1-OG 3.44Å
179	S	29.1	Very low	44.6	Very low	93 Å²	93	97.4 Å²	97.4	65%	0.65	52%	0.522	S	S	*	.			trans	-31.7	129.9	172.6	56.9	0	0	0	0	109.1	Q177 I181	Q177-S179 PolarHBondContact O-N 2.84Å; S179-I181 PolarHBondContact O-N 2.72Å
180	P	29.3	Very low	42	Very low	106 Å²	106	104.6 Å²	104.6	69%	0.688	56%	0.559	S	S	*	*			trans	-51.4	109.9	-177.3	22.8	-31.7	0	0	0	105.3	P182	P180-P182 WeakPolarHBondContact O-CD 3.19Å
181	I	32.3	Very low	39.4	Very low	128 Å²	128	109.1 Å²	109.1	66%	0.656	58%	0.583	S	S	*	*			trans	-56.1	109.7	168.6	-64.1	173.3	0	0	0	100.6	S179 I183	S179-I181 PolarHBondContact O-N 2.72Å; I181-I183 PolarHBondContact O-N 2.8Å
182	P	28.6	Very low	36.9	Very low	82 Å²	82	117.6 Å²	117.6	53%	0.532	62%	0.62	S	S	.	*			trans	-62.5	120	178.5	-10.9	26.5	0	0	0	100.8	P180 K184	P180-P182 WeakPolarHBondContact O-CD 3.19Å; P182-K184 HydrophobicContact CB-CB 4Å; P182-K184 HydrophobicContact CB-CD 4.11Å; P182-K184 HydrophobicContact CB-CG 3.72Å; P182-K184 PolarHBondContact O-N 3.07Å
183	I	33.5	Very low	34.4	Very low	162 Å²	162	123.5 Å²	123.5	83%	0.831	65%	0.646	S	S	*	*			trans	-67.1	60.7	152.1	-51	175.2	0	0	0	104.8	I181 S185	I181-I183 PolarHBondContact O-N 2.8Å; I183-S185 PolarHBondContact O-N 2.97Å
184	K	25.8	Very low	32.1	Very low	161 Å²	161	131.7 Å²	131.7	70%	0.7	68%	0.684	S	S	*	*			trans	-69	95.1	159.3	-94.3	179.5	179	177.6	0	101.7	P182 N186	P182-K184 HydrophobicContact CB-CB 4Å; P182-K184 HydrophobicContact CB-CD 4.11Å; P182-K184 HydrophobicContact CB-CG 3.72Å; P182-K184 PolarHBondContact O-N 3.07Å; K184-N186 HydrophobicContact CB-CB 4.33Å; K184-N186 PolarHBondContact O-N 3.08Å
185	S	29.3	Very low	30.6	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	70%	0.704	S	S	*	*			trans	-56.2	63.1	151.3	50.7	0	0	0	0	109.1	I183 R187	I183-S185 PolarHBondContact O-N 2.97Å; S185-R187 VanDerWaalsContact C-N 3.26Å; S185-R187 PolarHBondContact O-N 2.83Å
186	N	25.3	Very low	29.3	Very low	112 Å²	112	136.5 Å²	136.5	60%	0.599	71%	0.713	S	S	*	*			trans	-82.1	85.7	178.6	-138.4	2.7	0	0	0	106.6	K184 N188	K184-N186 HydrophobicContact CB-CB 4.33Å; K184-N186 PolarHBondContact O-N 3.08Å; N186-N188 PolarHBondContact O-N 2.93Å
187	R	30.3	Very low	28.7	Very low	234 Å²	234	137.2 Å²	137.2	88%	0.883	72%	0.72	S	S	*	*			trans	-59.7	-2.2	177.9	-98.6	-177.8	170.1	175.2	-3	114.7	S185	S185-R187 VanDerWaalsContact C-N 3.26Å; S185-R187 PolarHBondContact O-N 2.83Å
188	N	26.4	Very low	28.4	Very low	130 Å²	130	138 Å²	138	70%	0.695	71%	0.714	S	S	*	*			trans	-141.9	92.7	-170.2	-66.7	-30.1	0	0	0	111.2	N186	N186-N188 PolarHBondContact O-N 2.93Å
189	T	26.3	Very low	28.4	Very low	130 Å²	130	137.1 Å²	137.1	80%	0.798	72%	0.716	S	S	*	*			trans	177.7	85.4	144.8	22.6	0	0	0	0	109
190	L	26.2	Very low	29	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	70%	0.702	S	S	*	*			trans	-97.3	105.2	171	-80.5	162.3	0	0	0	108.5
191	N	25.4	Very low	30.2	Very low	145 Å²	145	131.5 Å²	131.5	78%	0.775	68%	0.677	S	S	*	*			trans	-161.5	76.4	160.6	-100.9	-10.6	0	0	0	108.5
192	F	26.6	Very low	31.5	Very low	198 Å²	198	129.7 Å²	129.7	87%	0.868	67%	0.665	S	S	*	*			trans	-149.5	152.9	163.6	-77.8	-66.5	0	0	0	113.7
193	Q	24.2	Very low	33.6	Very low	171 Å²	171	127.1 Å²	127.1	80%	0.799	65%	0.646	S	S	*	*			trans	-78.9	144.3	-159.6	-161.9	167.8	-0.7	0	0	112.3	I195	Q193-I195 PolarHBondContact O-N 3.19Å
194	E	24.1	Very low	35.5	Very low	193 Å²	193	119.5 Å²	119.5	90%	0.902	61%	0.607	S	S	*	*			trans	-66.8	98.6	-179.2	-142.4	179.5	-170	0	0	110.3
195	I	27.1	Very low	37.6	Very low	143 Å²	143	111.9 Å²	111.9	73%	0.733	57%	0.574	S	S	*	*			trans	-97.8	100.7	167.3	-55.6	177.7	0	0	0	107.3	Q193 A197	Q193-I195 PolarHBondContact O-N 3.19Å; I195-A197 PolarHBondContact O-N 2.81Å
196	S	27.7	Very low	39.4	Very low	108 Å²	108	108.6 Å²	108.6	76%	0.755	55%	0.55	S	S	*	.			trans	-70.4	76.2	168.5	164.7	0	0	0	0	109.7	R198	S196-R198 PolarHBondContact O-N 3.39Å; S196-R198 VanDerWaalsContact O-N 3.12Å
197	A	31.6	Very low	41.3	Very low	48 Å²	48	103.4 Å²	103.4	40%	0.397	52%	0.522	S	S	.	.			trans	-74.4	96.9	168.7	0	0	0	0	0	109.4	I195 C199	I195-A197 PolarHBondContact O-N 2.81Å; A197-C199 PolarHBondContact O-N 2.9Å
198	R	30	Very low	42.9	Very low	215 Å²	215	92.9 Å²	92.9	81%	0.811	48%	0.483	S	S	*	.			trans	-65	100.9	161.8	-83.4	-178.4	176.1	175.4	0.3	107.1	S196 T200	S196-R198 PolarHBondContact O-N 3.39Å; S196-R198 VanDerWaalsContact O-N 3.12Å; R198-T200 PolarHBondContact O-N 3.33Å
199	C	37.9	Very low	44.5	Very low	59 Å²	59	90.9 Å²	90.9	40%	0.399	47%	0.466	S	S	.	.			trans	-49.9	111.4	166.9	-93.4	0	0	0	0	109.3	A197 S201	A197-C199 PolarHBondContact O-N 2.9Å; C199-S201 VanDerWaalsContact C-N 3.26Å; C199-S201 PolarHBondContact O-N 3.34Å
200	T	40.9	Very low	45.6	Very low	60 Å²	60	89.2 Å²	89.2	37%	0.368	46%	0.46	S	S	.	.			trans	-80.3	-1.1	-172.8	32.4	0	0	0	0	113.9	R198 N619 K640	R198-T200 PolarHBondContact O-N 3.33Å; T200-N619 PolarHBondContact OG1-OD1 3.25Å; T200-K640 PolarHBondContact O-NZ 3.1Å
201	S	53.8	Low	46.3	Very low	22 Å²	22	87.6 Å²	87.6	15%	0.154	45%	0.447	C	S	.	.			trans	-95.7	95.2	178.2	59.4	0	0	0	0	111.3	C199 F203 V204	C199-S201 VanDerWaalsContact C-N 3.26Å; C199-S201 PolarHBondContact O-N 3.34Å; S201-F203 PolarHBondContact O-N 3.25Å; S201-V204 PolarHBondContact O-N 3.27Å; S201-V204 WeakPolarHBondContact OG-CG2 3.39Å
202	H	60.6	Low	46.9	Very low	89 Å²	89	85.9 Å²	85.9	41%	0.412	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-3.8	-178.1	-68.6	-48.9	0	0	0	115.4	K659	H202-K659 HydrophobicContact CB-CD 4.38Å
203	F	71.9	Confident	47.4	Very low	28 Å²	28	85.5 Å²	85.5	12%	0.123	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	13.6	-174	-45.5	-56.9	0	0	0	113.5	S201 Y601 L623 P655 L658 K659 T662	S201-F203 PolarHBondContact O-N 3.25Å; F203-Y601 WeakPolarHBondContact O-CE1 3.21Å; F203-Y601 PolarHBondContact O-OH 3.44Å; F203-L623 HydrophobicContact CB-CD2 4.37Å; F203-P655 HydrophobicContact CE1-CB 4.12Å; F203-P655 WeakPolarHBondContact CE1-O 3.34Å; F203-P655 HydrophobicContact CZ-CB 3.93Å; F203-L658 HydrophobicContact CB-CD2 4.05Å; F203-L658 HydrophobicContact CB-CG 4.32Å; F203-L658 HydrophobicContact CD1-CB 4.12Å; F203-L658 HydrophobicContact CD1-CD2 3.78Å; F203-L658 HydrophobicContact CD1-CG 3.87Å; F203-L658 HydrophobicContact CD2-CD2 4.36Å; F203-L658 HydrophobicContact CE1-CB 4.4Å; F203-L658 HydrophobicContact CE1-CD2 4.33Å; F203-L658 HydrophobicContact CG-CD2 3.8Å; F203-L658 HydrophobicContact CG-CG 4.24Å; F203-K659 HydrophobicContact CD1-CB 4.33Å; F203-K659 HydrophobicContact CE1-CB 4.32Å; F203-T662 WeakPolarHBondContact O-CG2 3.03Å
204	V	73.2	Confident	48	Very low	3 Å²	3	82.1 Å²	82.1	2%	0.018	43%	0.426	C	S	.	.			trans	-91.1	123	176.5	177.4	0	0	0	0	110.2	S201 L208 R209 Y601 V621	S201-V204 PolarHBondContact O-N 3.27Å; S201-V204 WeakPolarHBondContact OG-CG2 3.39Å; V204-L208 HydrophobicContact CG1-CB 3.9Å; V204-R209 HydrophobicContact CB-CG 4.45Å; V204-R209 HydrophobicContact CG1-CG 3.8Å; V204-R209 PolarHBondContact O-NE 2.93Å; V204-R209 PolarHBondContact O-NH2 2.78Å; V204-Y601 HydrophobicContact CG2-CD1 4.4Å; V204-Y601 HydrophobicContact CG2-CE1 4.11Å; V204-V621 HydrophobicContact CG1-CB 4.31Å; V204-V621 HydrophobicContact CG1-CG1 3.96Å; V204-V621 HydrophobicContact CG2-CB 4.16Å; V204-V621 HydrophobicContact CG2-CG1 3.89Å
205	P	70.6	Confident	48.5	Very low	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.41	C	S	.	.			trans	-54.4	139.8	174.7	-27.4	33.8	0	0	0	111.4	C207 L208 R209 F589 Y601 T662	P205-C207 PolarHBondContact O-N 3.37Å; P205-L208 HydrophobicContact CB-CG 4.47Å; P205-L208 HydrophobicContact CG-CD1 4.11Å; P205-L208 PolarHBondContact O-N 2.6Å; P205-R209 PolarHBondContact O-N 2.98Å; P205-F589 HydrophobicContact CB-CE1 4.17Å; P205-F589 HydrophobicContact CB-CE2 3.98Å; P205-F589 HydrophobicContact CB-CZ 3.77Å; P205-F589 HydrophobicContact CG-CD1 3.87Å; P205-F589 HydrophobicContact CG-CD2 4.2Å; P205-F589 HydrophobicContact CG-CE1 3.7Å; P205-F589 HydrophobicContact CG-CE2 4.07Å; P205-F589 HydrophobicContact CG-CG 4.1Å; P205-F589 HydrophobicContact CG-CZ 3.79Å; P205-Y601 VanDerWaalsContact CD-CZ 3.45Å; P205-Y601 WeakPolarHBondContact CD-OH 3.5Å; P205-Y601 HydrophobicContact CG-CE2 4.21Å; P205-T662 WeakPolarHBondContact CA-O 3.47Å
206	P	66.9	Low	48.8	Very low	38 Å²	38	72.6 Å²	72.6	25%	0.247	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-52.4	-30.5	180	-27.8	33.3	0	0	0	114	L208 R209 F211 T662	P206-L208 VanDerWaalsContact C-N 3.34Å; P206-R209 PolarHBondContact O-N 3.26Å; P206-F211 WeakPolarHBondContact O-CE2 3.36Å; P206-T662 WeakPolarHBondContact CD-O 2.95Å
207	C	64.8	Low	48.9	Very low	4 Å²	4	72 Å²	72	3%	0.027	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-77.3	-11.6	179.3	52.1	0	0	0	0	115.7	P205 C227 T229 F589	P205-C207 PolarHBondContact O-N 3.37Å; C207-C227 HydrophobicContact CB-CB 3.2Å; C207-C227 WeakPolarHBondContact CB-SG 3.28Å; C207-T229 WeakPolarHBondContact CB-OG1 3.49Å; C207-T229 PolarHBondContact O-OG1 2.93Å; C207-F589 VanDerWaalsContact SG-CE2 3.56Å
208	L	65.6	Low	48.8	Very low	12 Å²	12	76.8 Å²	76.8	6%	0.063	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-103.4	-3.5	174	-66.9	179.7	0	0	0	112.2	V204 P205 P206 T229 V587 F589 Y601	V204-L208 HydrophobicContact CG1-CB 3.9Å; P205-L208 HydrophobicContact CB-CG 4.47Å; P205-L208 HydrophobicContact CG-CD1 4.11Å; P205-L208 PolarHBondContact O-N 2.6Å; P206-L208 VanDerWaalsContact C-N 3.34Å; L208-T229 HydrophobicContact CD2-CG2 4.37Å; L208-V587 HydrophobicContact CD1-CG1 4.31Å; L208-V587 HydrophobicContact CD2-CG1 3.85Å; L208-F589 HydrophobicContact CD1-CD2 4.33Å; L208-Y601 HydrophobicContact CD1-CD2 3.7Å; L208-Y601 HydrophobicContact CD1-CE2 3.98Å; L208-Y601 HydrophobicContact CD1-CG 4.14Å
209	R	60	Low	48.8	Very low	89 Å²	89	72.2 Å²	72.2	34%	0.336	40%	0.399	S	S	.	.	S	Bend	trans	-78.1	128.1	175.1	-61	-178.4	-170.6	179.2	1	108	V204 P205 P206 F211	V204-R209 HydrophobicContact CB-CG 4.45Å; V204-R209 HydrophobicContact CG1-CG 3.8Å; V204-R209 PolarHBondContact O-NE 2.93Å; V204-R209 PolarHBondContact O-NH2 2.78Å; P205-R209 PolarHBondContact O-N 2.98Å; P206-R209 PolarHBondContact O-N 3.26Å; R209-F211 PolarHBondContact O-N 3.43Å; R209-F211 VanDerWaalsContact O-N 3.08Å
210	S	49.2	Very low	48.4	Very low	95 Å²	95	73.3 Å²	73.3	66%	0.664	41%	0.412	S	S	*	.			trans	-60.1	114.5	167	51.5	0	0	0	0	107.6	D212	S210-D212 PolarHBondContact O-N 3.2Å
211	F	41.1	Very low	47.9	Very low	120 Å²	120	77 Å²	77	53%	0.526	43%	0.429	S	S	.	.			trans	-78.5	109.4	168.6	-78.1	-87.1	0	0	0	106.8	P206 R209 E213	P206-F211 WeakPolarHBondContact O-CE2 3.36Å; R209-F211 PolarHBondContact O-N 3.43Å; R209-F211 VanDerWaalsContact O-N 3.08Å; F211-E213 PolarHBondContact O-N 2.68Å
212	D	36.4	Very low	46.8	Very low	108 Å²	108	83.3 Å²	83.3	58%	0.578	46%	0.456	S	S	*	.			trans	-59	120.8	154.8	-82.1	-29.5	0	0	0	107	S210 N214 S215	S210-D212 PolarHBondContact O-N 3.2Å; D212-N214 PolarHBondContact O-N 2.91Å; D212-S215 PolarHBondContact O-N 3.38Å; D212-S215 PolarHBondContact O-OG 3.07Å
213	E	37.7	Very low	45.3	Very low	191 Å²	191	82.3 Å²	82.3	89%	0.893	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-54	-14.3	180	-71	-168.5	143.3	0	0	112.8	F211	F211-E213 PolarHBondContact O-N 2.68Å
214	N	37.9	Very low	43.4	Very low	100 Å²	100	87.1 Å²	87.1	54%	0.535	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-82.2	-7.8	179.6	-71.5	-20	0	0	0	115.5	D212 C216	D212-N214 PolarHBondContact O-N 2.91Å; N214-C216 PolarHBondContact O-N 3.35Å
215	S	34.4	Very low	41.5	Very low	81 Å²	81	88.1 Å²	88.1	57%	0.566	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-83.1	-5.6	-176.7	58.8	0	0	0	0	115.3	D212	D212-S215 PolarHBondContact O-N 3.38Å; D212-S215 PolarHBondContact O-OG 3.07Å
216	C	32.4	Very low	40.2	Very low	55 Å²	55	95.4 Å²	95.4	37%	0.372	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-100.8	28.3	-176.6	-71.7	0	0	0	0	114.8	N214 N218 C223	N214-C216 PolarHBondContact O-N 3.35Å; C216-N218 PolarHBondContact O-N 3.44Å; C216-C223 VanDerWaalsContact SG-SG 3.63Å
217	S	29.9	Very low	39.5	Very low	94 Å²	94	93.7 Å²	93.7	66%	0.657	51%	0.514	S	S	*	.	S	Bend	trans	-81	-6.5	-171.9	61.5	0	0	0	0	116.6
218	N	30	Very low	39	Very low	149 Å²	149	93.5 Å²	93.5	80%	0.797	51%	0.513	S	S	*	.	S	Bend	trans	-132.7	3.2	-178.2	-81.3	-37.4	0	0	0	117.4	C216	C216-N218 PolarHBondContact O-N 3.44Å
219	N	29.7	Very low	38.5	Very low	119 Å²	119	94.2 Å²	94.2	64%	0.636	52%	0.518	S	S	*	.			trans	-153.1	68.3	171.1	-91.5	-34	0	0	0	111	N221 H222	N219-N221 PolarHBondContact O-N 3.12Å; N219-H222 PolarHBondContact O-N 2.9Å
220	A	29.4	Very low	38	Very low	83 Å²	83	92.7 Å²	92.7	69%	0.686	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	0.4	179.2	0	0	0	0	0	115.1
221	N	30.6	Very low	38.4	Very low	136 Å²	136	90.3 Å²	90.3	73%	0.727	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.1	177	-73.9	-20.4	0	0	0	114.4	N219	N219-N221 PolarHBondContact O-N 3.12Å
222	H	30.1	Very low	39.3	Very low	155 Å²	155	86.5 Å²	86.5	72%	0.718	50%	0.497	S	S	*	.	S	Bend	trans	-122	-3	-170.9	-73.8	-19.2	0	0	0	117	N219	N219-H222 PolarHBondContact O-N 2.9Å
223	C	29.7	Very low	40.7	Very low	68 Å²	68	83 Å²	83	46%	0.459	48%	0.478	S	S	.	.			trans	-110.1	38.2	177.2	-64.9	0	0	0	0	113.6	C216 G225	C216-C223 VanDerWaalsContact SG-SG 3.63Å; C223-G225 PolarHBondContact O-N 2.78Å
224	N	31.1	Very low	42.3	Very low	129 Å²	129	74.1 Å²	74.1	69%	0.69	44%	0.437	S	S	*	.			trans	-77.5	27.5	176.7	-82.1	0.6	0	0	0	114
225	G	34.6	Very low	44	Very low	25 Å²	25	69.3 Å²	69.3	26%	0.258	41%	0.411	S	S	.	.			trans	-122.3	67.4	-171.3	0	0	0	0	0	112.6	C223 C227 N668	C223-G225 PolarHBondContact O-N 2.78Å; G225-C227 PolarHBondContact O-N 3.29Å; G225-N668 VanDerWaalsContact CA-ND2 3.33Å; G225-N668 WeakPolarHBondContact CA-ND2 3.5Å; G225-N668 WeakPolarHBondContact CA-OD1 3.17Å; G225-N668 PolarHBondContact O-ND2 3.45Å
226	Y	42.7	Very low	45.8	Very low	152 Å²	152	65.8 Å²	65.8	60%	0.596	39%	0.387	S	S	*	.			trans	-71.5	112.4	167.4	-62.3	-88.2	0	0	0	108	L688	Y226-L688 HydrophobicContact CD2-CD1 4.23Å; Y226-L688 HydrophobicContact CD2-CD2 3.4Å; Y226-L688 HydrophobicContact CD2-CG 4.43Å; Y226-L688 HydrophobicContact CE2-CD2 4.07Å; Y226-L688 HydrophobicContact CG-CD2 3.68Å
227	C	52	Low	47.9	Very low	3 Å²	3	65 Å²	65	2%	0.02	38%	0.376	C	S	.	.			trans	-84.7	146	175.3	-177.4	0	0	0	0	109.3	C207 G225 T229 S230 Q667	C207-C227 HydrophobicContact CB-CB 3.2Å; C207-C227 WeakPolarHBondContact CB-SG 3.28Å; G225-C227 PolarHBondContact O-N 3.29Å; C227-T229 PolarHBondContact O-N 3.03Å; C227-T229 VanDerWaalsContact O-N 3.11Å; C227-T229 PolarHBondContact SG-OG1 2.74Å; C227-T229 VanDerWaalsContact SG-OG1 3.36Å; C227-S230 PolarHBondContact O-N 3.5Å; C227-S230 PolarHBondContact O-OG 3.36Å; C227-Q667 PolarHBondContact SG-OE1 2.8Å
228	F	54.1	Low	50.5	Low	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-57.9	-28.9	179.4	-105.5	-93.3	0	0	0	113.4	R106 S230 T231 I235 G236 N685 C687	R106-F228 HydrophobicContact CB-CE1 4.43Å; R106-F228 HydrophobicContact CB-CZ 4.24Å; F228-S230 PolarHBondContact O-N 2.89Å; F228-S230 VanDerWaalsContact O-N 3.12Å; F228-T231 PolarHBondContact O-N 3.23Å; F228-T231 PolarHBondContact O-OG1 2.83Å; F228-I235 HydrophobicContact CD1-CG1 4.28Å; F228-I235 HydrophobicContact CD1-CG2 3.88Å; F228-I235 HydrophobicContact CE1-CD1 3.97Å; F228-I235 HydrophobicContact CE1-CG1 4.13Å; F228-I235 HydrophobicContact CE1-CG2 3.74Å; F228-G236 WeakPolarHBondContact O-CA 3.36Å; F228-N685 HydrophobicContact CD2-CB 4.38Å; F228-N685 HydrophobicContact CE2-CB 3.37Å; F228-N685 HydrophobicContact CZ-CB 3.78Å; F228-C687 HydrophobicContact CD2-CB 4.38Å; F228-C687 HydrophobicContact CE1-CB 3.95Å; F228-C687 HydrophobicContact CE2-CB 3.55Å; F228-C687 WeakPolarHBondContact CE2-SG 3.35Å; F228-C687 HydrophobicContact CZ-CB 3.35Å
229	T	54.4	Low	53.2	Low	26 Å²	26	54 Å²	54	16%	0.16	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-65.5	-14.5	179.5	61.2	0	0	0	0	113.8	C207 L208 C227	C207-T229 WeakPolarHBondContact CB-OG1 3.49Å; C207-T229 PolarHBondContact O-OG1 2.93Å; L208-T229 HydrophobicContact CD2-CG2 4.37Å; C227-T229 PolarHBondContact O-N 3.03Å; C227-T229 VanDerWaalsContact O-N 3.11Å; C227-T229 PolarHBondContact SG-OG1 2.74Å; C227-T229 VanDerWaalsContact SG-OG1 3.36Å
230	S	51	Low	56	Low	58 Å²	58	48.5 Å²	48.5	41%	0.406	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-96.9	-0.9	177.9	59.4	0	0	0	0	114.3	C227 F228 G232	C227-S230 PolarHBondContact O-N 3.5Å; C227-S230 PolarHBondContact O-OG 3.36Å; F228-S230 PolarHBondContact O-N 2.89Å; F228-S230 VanDerWaalsContact O-N 3.12Å; S230-G232 VanDerWaalsContact C-N 3.29Å; S230-G232 PolarHBondContact O-N 2.84Å
231	T	57.4	Low	58.6	Low	45 Å²	45	44.7 Å²	44.7	28%	0.276	25%	0.25	S	C	.	.	S	Bend	trans	-78.8	-7.3	-170.9	61.2	0	0	0	0	114.4	F228 L233 C687	F228-T231 PolarHBondContact O-N 3.23Å; F228-T231 PolarHBondContact O-OG1 2.83Å; T231-L233 PolarHBondContact O-N 3.5Å; T231-C687 HydrophobicContact CG2-CB 4.41Å
232	G	59.5	Low	61.1	Low	39 Å²	39	38.4 Å²	38.4	40%	0.402	22%	0.216	S	C	.	.			trans	68.2	-20.2	-175.1	0	0	0	0	0	114.7	S230	S230-G232 VanDerWaalsContact C-N 3.29Å; S230-G232 PolarHBondContact O-N 2.84Å
233	L	66.5	Low	63.4	Low	36 Å²	36	31 Å²	31	19%	0.188	18%	0.182	C	C	.	.	S	Bend	trans	-67.1	152.5	178.2	-62.6	174.1	0	0	0	111.7	C104 N124 T231 I235 G236	C104-L233 HydrophobicContact CB-CD1 4.46Å; N124-L233 WeakPolarHBondContact O-CD2 3.49Å; T231-L233 PolarHBondContact O-N 3.5Å; L233-I235 HydrophobicContact CB-CG2 3.83Å; L233-I235 HydrophobicContact CD1-CG2 4.47Å; L233-I235 PolarHBondContact O-N 3.36Å; L233-I235 VanDerWaalsContact O-N 3.12Å; L233-G236 WeakPolarHBondContact O-CA 3.45Å; L233-G236 PolarHBondContact O-N 2.93Å
234	P	71.7	Confident	65.3	Low	3 Å²	3	30.7 Å²	30.7	2%	0.019	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-53.3	-37	178.4	-25.6	32.4	0	0	0	113.5	G126 F129 I173 G236 R237	G126-P234 WeakPolarHBondContact O-CG 3.25Å; F129-P234 HydrophobicContact CD2-CB 4.47Å; I173-P234 HydrophobicContact CG2-CB 4.18Å; P234-G236 PolarHBondContact O-N 3.46Å; P234-R237 WeakPolarHBondContact O-CB 3.06Å; P234-R237 PolarHBondContact O-N 2.83Å
235	I	73.7	Confident	66.9	Low	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.8	176.5	-166.8	167.1	0	0	0	113.4	R106 L120 C122 F129 F228 L233 R237	R106-I235 HydrophobicContact CB-CD1 3.77Å; R106-I235 HydrophobicContact CB-CG1 4.48Å; L120-I235 HydrophobicContact CB-CD1 3.69Å; L120-I235 HydrophobicContact CB-CG1 3.78Å; L120-I235 HydrophobicContact CD1-CG1 4.37Å; L120-I235 WeakPolarHBondContact O-CD1 3.29Å; C122-I235 HydrophobicContact CB-CB 4.3Å; C122-I235 WeakPolarHBondContact SG-CG2 3.21Å; F129-I235 HydrophobicContact CE2-CB 4.49Å; F228-I235 HydrophobicContact CD1-CG1 4.28Å; F228-I235 HydrophobicContact CD1-CG2 3.88Å; F228-I235 HydrophobicContact CE1-CD1 3.97Å; F228-I235 HydrophobicContact CE1-CG1 4.13Å; F228-I235 HydrophobicContact CE1-CG2 3.74Å; L233-I235 HydrophobicContact CB-CG2 3.83Å; L233-I235 HydrophobicContact CD1-CG2 4.47Å; L233-I235 PolarHBondContact O-N 3.36Å; L233-I235 VanDerWaalsContact O-N 3.12Å; I235-R237 VanDerWaalsContact C-N 3.34Å
236	G	71.2	Confident	68.7	Low	6 Å²	6	28.2 Å²	28.2	6%	0.062	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-76.6	-19.7	175.4	0	0	0	0	0	113.7	F228 L233 P234 I238	F228-G236 WeakPolarHBondContact O-CA 3.36Å; L233-G236 WeakPolarHBondContact O-CA 3.45Å; L233-G236 PolarHBondContact O-N 2.93Å; P234-G236 PolarHBondContact O-N 3.46Å; G236-I238 PolarHBondContact O-N 2.92Å
237	R	77.1	Confident	70.4	Confident	38 Å²	38	21.1 Å²	21.1	14%	0.143	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-79.7	-7	176.1	-59.1	-175.3	177.2	-172.7	-7	113	S174 E178 P234 I235	S174-R237 PolarHBondContact O-NH1 2.86Å; E178-R237 IonicContact OE2-NH2 2.87Å; P234-R237 WeakPolarHBondContact O-CB 3.06Å; P234-R237 PolarHBondContact O-N 2.83Å; I235-R237 VanDerWaalsContact C-N 3.34Å
238	I	84.3	Confident	71.8	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.141	C	C	.	.			trans	-100.7	113.5	177.7	-53.9	169.6	0	0	0	109.3	R106 L120 F129 L171 I173 G236 I251 A252 W253	R106-I238 PolarHBondContact NH1-O 2.84Å; L120-I238 HydrophobicContact CD1-CB 4.21Å; L120-I238 HydrophobicContact CD1-CD1 4.26Å; L120-I238 HydrophobicContact CD1-CG2 3.99Å; L120-I238 HydrophobicContact CD2-CD1 4.04Å; F129-I238 HydrophobicContact CE1-CD1 4.04Å; F129-I238 HydrophobicContact CE2-CD1 3.42Å; F129-I238 VanDerWaalsContact CE2-CD1 3.42Å; F129-I238 HydrophobicContact CZ-CD1 3.1Å; L171-I238 HydrophobicContact CD1-CD1 3.72Å; L171-I238 HydrophobicContact CD1-CG1 4.45Å; I173-I238 HydrophobicContact CD1-CD1 3.51Å; I173-I238 HydrophobicContact CD1-CG1 3.69Å; G236-I238 PolarHBondContact O-N 2.92Å; I238-I251 HydrophobicContact CG2-CB 4.01Å; I238-I251 HydrophobicContact CG2-CG2 4.2Å; I238-A252 WeakPolarHBondContact CA-O 3.21Å; I238-W253 HydrophobicContact CG1-CB 4.3Å
239	H	87	Confident	73.4	Confident	12 Å²	12	22.8 Å²	22.8	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.5	172.3	-155.1	-86.8	0	0	0	110.4	I251 A252 P588 F589 F590	H239-I251 CarbonylContact O-C 3.25Å; H239-I251 WeakPolarHBondContact O-CA 3.37Å; H239-A252 PolarHBondContact N-O 2.91Å; H239-A252 PolarHBondContact O-N 3.43Å; H239-P588 WeakPolarHBondContact CB-O 3.5Å; H239-F589 AromaticContact CD2-CD2 3.5Å; H239-F589 VanDerWaalsContact CD2-CD2 3.5Å; H239-F589 WeakPolarHBondContact CD2-CD2 3.21Å; H239-F589 AromaticContact NE2-CD2 3.28Å; H239-F589 VanDerWaalsContact NE2-CD2 3.28Å; H239-F589 WeakPolarHBondContact NE2-CD2 3.48Å; H239-F589 AromaticContact NE2-CE2 3.39Å; H239-F589 WeakPolarHBondContact NE2-CE2 3.46Å; H239-F589 AromaticContact NE2-CG 3.95Å; H239-F590 HydrophobicContact CB-CD2 4.43Å; H239-F590 PolarHBondContact CE1-N 2.84Å; H239-F590 PolarHBondContact CE1-O 3.42Å; H239-F590 VanDerWaalsContact CE1-O 3.3Å; H239-F590 WeakPolarHBondContact ND1-CB 3.25Å; H239-F590 AromaticContact ND1-CD2 3.44Å; H239-F590 WeakPolarHBondContact ND1-CD2 3.45Å; H239-F590 AromaticContact ND1-CG 3.86Å; H239-F590 PolarHBondContact ND1-N 3.12Å
240	V	87.4	Confident	74.9	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.024	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.1	178.7	-173.8	0	0	0	0	108.5	V108 L118 L120 L249 R250 I251 I681	V108-V240 HydrophobicContact CG1-CG1 3.94Å; L118-V240 HydrophobicContact CD2-CG1 4.11Å; L118-V240 HydrophobicContact CD2-CG2 3.77Å; L120-V240 HydrophobicContact CD1-CG2 4.17Å; V240-L249 HydrophobicContact CG1-CD2 4.12Å; V240-R250 WeakPolarHBondContact CA-O 3.37Å; V240-I251 HydrophobicContact CG2-CG2 4.32Å; V240-I681 HydrophobicContact CG1-CD1 4.25Å
241	G	85.4	Confident	76.8	Confident	3 Å²	3	18.9 Å²	18.9	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	176.3	176.9	0	0	0	0	0	111.1	R250	G241-R250 PolarHBondContact N-O 2.94Å; G241-R250 PolarHBondContact O-N 3.4Å
242	V	83.1	Confident	78.3	Confident	4 Å²	4	16.7 Å²	16.7	2%	0.024	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.3	173.8	171.8	0	0	0	0	107.6	P244 H248 L249 P595 L680 I681	V242-P244 WeakPolarHBondContact O-CD 3.38Å; V242-H248 CarbonylContact C-O 3.48Å; V242-H248 WeakPolarHBondContact CA-O 3.49Å; V242-L249 HydrophobicContact CG2-CD2 4Å; V242-P595 WeakPolarHBondContact O-CB 3.16Å; V242-L680 HydrophobicContact CB-CB 4.25Å; V242-L680 HydrophobicContact CG2-CB 4.35Å; V242-I681 HydrophobicContact CG2-CD1 4.1Å; V242-I681 HydrophobicContact CG2-CG1 3.45Å; V242-I681 VanDerWaalsContact CG2-CG1 3.45Å
243	S	77.2	Confident	79.7	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.			trans	-61.3	121.3	169.6	173.4	0	0	0	0	109.6	N245 T246 G247 H248 R250	S243-N245 PolarHBondContact O-N 2.99Å; S243-N245 PolarHBondContact OG-N 2.8Å; S243-T246 WeakPolarHBondContact CB-OG1 3.02Å; S243-T246 PolarHBondContact OG-N 3.06Å; S243-T246 PolarHBondContact OG-OG1 2.83Å; S243-T246 VanDerWaalsContact OG-OG1 3.1Å; S243-G247 WeakPolarHBondContact O-CA 3.15Å; S243-G247 PolarHBondContact O-N 3.23Å; S243-H248 PolarHBondContact N-O 3.17Å; S243-R250 VanDerWaalsContact CB-CZ 3.45Å; S243-R250 VanDerWaalsContact CB-NH2 3.27Å; S243-R250 PolarHBondContact OG-NH2 2.95Å
244	P	69.3	Low	80.5	Confident	60 Å²	60	13.9 Å²	13.9	39%	0.39	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.8	177.7	25.9	-31.6	0	0	0	112	V242 P595 D596	V242-P244 WeakPolarHBondContact O-CD 3.38Å; P244-P595 HydrophobicContact CB-CG 3.81Å; P244-P595 HydrophobicContact CG-CG 3.86Å; P244-D596 WeakPolarHBondContact CD-OD1 3.25Å; P244-D596 WeakPolarHBondContact CG-OD1 3.25Å; P244-D596 WeakPolarHBondContact CG-OD2 3.46Å
245	N	66.2	Low	80.7	Confident	76 Å²	76	14 Å²	14	41%	0.406	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-36.5	-177	-66.7	-27.1	0	0	0	112.9	S243	S243-N245 PolarHBondContact O-N 2.99Å; S243-N245 PolarHBondContact OG-N 2.8Å
246	T	72	Confident	80.5	Confident	26 Å²	26	18 Å²	18	16%	0.16	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-20.4	-175.2	65.9	0	0	0	0	114	V113 S243 H248 K283	V113-T246 VanDerWaalsContact CG2-O 3.32Å; V113-T246 WeakPolarHBondContact CG2-O 3.49Å; S243-T246 WeakPolarHBondContact CB-OG1 3.02Å; S243-T246 PolarHBondContact OG-N 3.06Å; S243-T246 PolarHBondContact OG-OG1 2.83Å; S243-T246 VanDerWaalsContact OG-OG1 3.1Å; T246-H248 WeakPolarHBondContact CB-CD2 3.34Å; T246-H248 PolarHBondContact O-N 2.92Å; T246-H248 WeakPolarHBondContact OG1-CB 3.48Å; T246-H248 PolarHBondContact OG1-CD2 2.85Å; T246-H248 PolarHBondContact OG1-N 3.42Å; T246-H248 VanDerWaalsContact OG1-N 3.11Å; T246-K283 VanDerWaalsContact CG2-C 3.48Å; T246-K283 HydrophobicContact CG2-CB 3.17Å; T246-K283 HydrophobicContact CG2-CD 4.44Å; T246-K283 HydrophobicContact CG2-CG 4.43Å; T246-K283 WeakPolarHBondContact CG2-O 3.45Å
247	G	77	Confident	80.3	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.031	13%	0.128	C	C	.	.			trans	72.3	3.7	-169.6	0	0	0	0	0	114.2	S110 S243	S110-G247 WeakPolarHBondContact CB-O 3.38Å; S110-G247 PolarHBondContact OG-O 3.38Å; S243-G247 WeakPolarHBondContact O-CA 3.15Å; S243-G247 PolarHBondContact O-N 3.23Å
248	H	82.1	Confident	80.2	Confident	37 Å²	37	21.4 Å²	21.4	17%	0.171	13%	0.128	C	C	.	.			trans	-73	146	178.2	-64.7	-49.2	0	0	0	112	V242 S243 T246	V242-H248 CarbonylContact C-O 3.48Å; V242-H248 WeakPolarHBondContact CA-O 3.49Å; S243-H248 PolarHBondContact N-O 3.17Å; T246-H248 WeakPolarHBondContact CB-CD2 3.34Å; T246-H248 PolarHBondContact O-N 2.92Å; T246-H248 WeakPolarHBondContact OG1-CB 3.48Å; T246-H248 PolarHBondContact OG1-CD2 2.85Å; T246-H248 PolarHBondContact OG1-N 3.42Å; T246-H248 VanDerWaalsContact OG1-N 3.11Å
249	L	88.3	Confident	79.9	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.3	174.7	-72.1	167.2	0	0	0	110.3	V108 L118 F133 V240 V242 S264	V108-L249 HydrophobicContact CG1-CD2 4.06Å; V108-L249 WeakPolarHBondContact O-CD1 3.4Å; L118-L249 HydrophobicContact CB-CD1 3.93Å; F133-L249 HydrophobicContact CE1-CB 4.06Å; V240-L249 HydrophobicContact CG1-CD2 4.12Å; V242-L249 HydrophobicContact CG2-CD2 4Å; L249-S264 PolarHBondContact O-OG 2.85Å
250	R	85.4	Confident	79.7	Confident	1 Å²	1	20.9 Å²	20.9	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.1	172	-56.4	179.6	179.5	153.5	-5.3	109.2	V240 G241 S243 M263 G284 F590 D596	V240-R250 WeakPolarHBondContact CA-O 3.37Å; G241-R250 PolarHBondContact N-O 2.94Å; G241-R250 PolarHBondContact O-N 3.4Å; S243-R250 VanDerWaalsContact CB-CZ 3.45Å; S243-R250 VanDerWaalsContact CB-NH2 3.27Å; S243-R250 PolarHBondContact OG-NH2 2.95Å; R250-M263 CarbonylContact C-O 3.53Å; R250-M263 VanDerWaalsContact CA-O 3.27Å; R250-M263 WeakPolarHBondContact CA-O 3.29Å; R250-G284 PolarHBondContact NE-O 3.27Å; R250-G284 PolarHBondContact NH2-O 3.49Å; R250-F590 HydrophobicContact CB-CZ 4.46Å; R250-D596 IonicContact CZ-OD1 2.67Å; R250-D596 IonicContact NH1-OD1 3.19Å; R250-D596 PolarHBondContact NH1-OD1 2.5Å; R250-D596 IonicContact NH2-OD1 2.64Å; R250-D596 PolarHBondContact NH2-OD1 2.77Å
251	I	90.8	Very high	79.6	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.3	168.2	56.7	169	0	0	0	109.5	L118 F133 L169 L171 I238 H239 V240 W253 I262 M263	L118-I251 HydrophobicContact CD1-CG2 4.03Å; L118-I251 HydrophobicContact CD2-CG2 3.25Å; L118-I251 HydrophobicContact CG-CG2 4.27Å; F133-I251 HydrophobicContact CZ-CG1 4.37Å; F133-I251 HydrophobicContact CZ-CG2 4.43Å; L169-I251 HydrophobicContact CD1-CD1 3.79Å; L171-I251 HydrophobicContact CD1-CD1 4.1Å; L171-I251 HydrophobicContact CD2-CD1 4.12Å; I238-I251 HydrophobicContact CG2-CB 4.01Å; I238-I251 HydrophobicContact CG2-CG2 4.2Å; H239-I251 CarbonylContact O-C 3.25Å; H239-I251 WeakPolarHBondContact O-CA 3.37Å; V240-I251 HydrophobicContact CG2-CG2 4.32Å; I251-W253 HydrophobicContact CD1-CE3 4.11Å; I251-W253 HydrophobicContact CD1-CZ3 3.74Å; I251-W253 HydrophobicContact CG1-CE3 4.2Å; I251-W253 HydrophobicContact CG1-CZ3 3.84Å; I251-I262 CarbonylContact O-C 3.27Å; I251-I262 VanDerWaalsContact O-CA 3.29Å; I251-I262 WeakPolarHBondContact O-CA 3.43Å; I251-M263 HydrophobicContact CD1-CB 4.4Å; I251-M263 HydrophobicContact CG1-CB 3.94Å; I251-M263 PolarHBondContact N-O 2.78Å; I251-M263 PolarHBondContact O-N 3.28Å
252	A	89.1	Confident	79.6	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.2	171.4	0	0	0	0	0	110.3	I238 H239 K261 I262 P588 F590 L598	I238-A252 WeakPolarHBondContact CA-O 3.21Å; H239-A252 PolarHBondContact N-O 2.91Å; H239-A252 PolarHBondContact O-N 3.43Å; A252-K261 WeakPolarHBondContact CA-O 3.23Å; A252-I262 HydrophobicContact CB-CG1 4.25Å; A252-P588 HydrophobicContact CB-CB 3.94Å; A252-P588 HydrophobicContact CB-CG 4.1Å; A252-F590 HydrophobicContact CB-CD2 4.49Å; A252-F590 HydrophobicContact CB-CE2 3.55Å; A252-F590 HydrophobicContact CB-CZ 3.79Å; A252-L598 HydrophobicContact CB-CD1 4.04Å; A252-L598 HydrophobicContact CB-CD2 4.41Å
253	W	88.6	Confident	79.6	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.9	174.4	71.3	100.5	0	0	0	109.5	L171 D172 I173 I238 I251 V260 K261 M263 T518	L171-W253 HydrophobicContact CB-CZ2 4.5Å; L171-W253 HydrophobicContact CD1-CD2 4.49Å; L171-W253 HydrophobicContact CD2-CD2 4.47Å; L171-W253 HydrophobicContact CD2-CE3 4.41Å; L171-W253 HydrophobicContact CD2-CH2 3.68Å; L171-W253 HydrophobicContact CD2-CZ2 3.7Å; L171-W253 HydrophobicContact CD2-CZ3 4.05Å; D172-W253 PolarHBondContact OD1-NE1 2.85Å; I173-W253 HydrophobicContact CG1-CG 4.33Å; I238-W253 HydrophobicContact CG1-CB 4.3Å; I251-W253 HydrophobicContact CD1-CE3 4.11Å; I251-W253 HydrophobicContact CD1-CZ3 3.74Å; I251-W253 HydrophobicContact CG1-CE3 4.2Å; I251-W253 HydrophobicContact CG1-CZ3 3.84Å; W253-V260 WeakPolarHBondContact O-CA 3.33Å; W253-K261 HydrophobicContact CD2-CB 4.02Å; W253-K261 HydrophobicContact CE3-CB 4.19Å; W253-K261 HydrophobicContact CH2-CB 3.72Å; W253-K261 HydrophobicContact CH2-CD 4.34Å; W253-K261 HydrophobicContact CZ2-CB 3.54Å; W253-K261 HydrophobicContact CZ2-CD 3.52Å; W253-K261 HydrophobicContact CZ2-CG 4.13Å; W253-K261 HydrophobicContact CZ3-CB 4.03Å; W253-K261 PolarHBondContact N-O 3.29Å; W253-K261 VanDerWaalsContact N-O 3.07Å; W253-K261 PolarHBondContact O-N 3.05Å; W253-M263 HydrophobicContact CH2-CB 4.16Å; W253-M263 HydrophobicContact CH2-CE 4.49Å; W253-M263 HydrophobicContact CZ3-CB 3.93Å; W253-T518 HydrophobicContact CH2-CG2 4.31Å; W253-T518 WeakPolarHBondContact CH2-OG1 3.17Å; W253-T518 HydrophobicContact CZ2-CG2 4.29Å; W253-T518 WeakPolarHBondContact CZ2-OG1 3.08Å
254	A	83.7	Confident	80	Confident	14 Å²	14	20.5 Å²	20.5	12%	0.116	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.5	171.1	0	0	0	0	0	110	Q259 V260 L586	A254-Q259 CarbonylContact C-O 3.57Å; A254-Q259 VanDerWaalsContact CA-O 3.25Å; A254-Q259 WeakPolarHBondContact CA-O 3.29Å; A254-V260 HydrophobicContact CB-CG2 4.28Å; A254-L586 HydrophobicContact CB-CB 3.45Å; A254-L586 VanDerWaalsContact CB-CB 3.45Å; A254-L586 HydrophobicContact CB-CD1 4.49Å; A254-L586 WeakPolarHBondContact CB-O 3.33Å
255	N	76.2	Confident	80.6	Confident	7 Å²	7	17.8 Å²	17.8	4%	0.037	10%	0.104	C	C	.	.			trans	-97.7	170.9	173.8	82.3	-10.9	0	0	0	111.5	D172 D257 Q259 K261	D172-N255 WeakPolarHBondContact OD2-CB 3.3Å; D172-N255 PolarHBondContact OD2-ND2 3.28Å; N255-D257 PolarHBondContact O-N 3.24Å; N255-D257 PolarHBondContact OD1-N 2.97Å; N255-D257 VanDerWaalsContact OD1-N 3.16Å; N255-Q259 PolarHBondContact N-O 2.91Å; N255-Q259 PolarHBondContact ND2-OE1 2.85Å; N255-Q259 WeakPolarHBondContact OD1-CA 3.27Å; N255-Q259 WeakPolarHBondContact OD1-CB 3.34Å; N255-Q259 PolarHBondContact OD1-N 2.85Å; N255-Q259 PolarHBondContact OD1-O 3.09Å; N255-K261 WeakPolarHBondContact ND2-CE 3.48Å
256	P	68.7	Low	81.3	Confident	84 Å²	84	14.2 Å²	14.2	55%	0.545	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.8	179.3	-19.8	28.7	0	0	0	114.3	D172 S174 A258	D172-P256 WeakPolarHBondContact O-CD 3.41Å; S174-P256 WeakPolarHBondContact OG-CG 3.38Å; P256-A258 PolarHBondContact O-N 3.46Å; P256-A258 VanDerWaalsContact O-N 3.15Å
257	D	67.7	Low	81.8	Confident	98 Å²	98	14 Å²	14	52%	0.524	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	22	-173.3	-58.8	-43.8	0	0	0	113.4	N255 Q259	N255-D257 PolarHBondContact O-N 3.24Å; N255-D257 PolarHBondContact OD1-N 2.97Å; N255-D257 VanDerWaalsContact OD1-N 3.16Å; D257-Q259 HydrophobicContact CB-CG 4.39Å; D257-Q259 PolarHBondContact O-N 2.86Å
258	A	75.3	Confident	81.9	Confident	17 Å²	17	16.7 Å²	16.7	14%	0.14	9%	0.093	C	C	.	.	S	Bend	trans	58.5	32.8	-176.5	0	0	0	0	0	113.7	P256 I566 L568 L586	P256-A258 PolarHBondContact O-N 3.46Å; P256-A258 VanDerWaalsContact O-N 3.15Å; A258-I566 WeakPolarHBondContact O-CA 3.25Å; A258-I566 WeakPolarHBondContact O-CB 3.49Å; A258-I566 WeakPolarHBondContact O-CG1 3.38Å; A258-I566 PolarHBondContact O-N 3.19Å; A258-L568 HydrophobicContact CB-CD1 3.32Å; A258-L568 HydrophobicContact CB-CG 4.1Å; A258-L586 HydrophobicContact CB-CD1 4.18Å
259	Q	78.1	Confident	81.4	Confident	1 Å²	1	18 Å²	18	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.1	171.8	-49	178.1	-45	0	0	109.9	A254 N255 D257 T310 V563 F564 D565	A254-Q259 CarbonylContact C-O 3.57Å; A254-Q259 VanDerWaalsContact CA-O 3.25Å; A254-Q259 WeakPolarHBondContact CA-O 3.29Å; N255-Q259 PolarHBondContact N-O 2.91Å; N255-Q259 PolarHBondContact ND2-OE1 2.85Å; N255-Q259 WeakPolarHBondContact OD1-CA 3.27Å; N255-Q259 WeakPolarHBondContact OD1-CB 3.34Å; N255-Q259 PolarHBondContact OD1-N 2.85Å; N255-Q259 PolarHBondContact OD1-O 3.09Å; D257-Q259 HydrophobicContact CB-CG 4.39Å; D257-Q259 PolarHBondContact O-N 2.86Å; Q259-T310 PolarHBondContact NE2-OG1 3.47Å; Q259-V563 HydrophobicContact CB-CG1 3.82Å; Q259-V563 HydrophobicContact CG-CG1 4.28Å; Q259-F564 CarbonylContact C-O 3.44Å; Q259-F564 VanDerWaalsContact CA-O 3.25Å; Q259-F564 WeakPolarHBondContact CA-O 3.33Å; Q259-D565 WeakPolarHBondContact CG-OD1 3.5Å; Q259-D565 PolarHBondContact NE2-OD1 2.88Å
260	V	82.5	Confident	80.4	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	168.4	173.3	0	0	0	0	108.1	W253 A254 F564 I566 P588 L598 V600	W253-V260 WeakPolarHBondContact O-CA 3.33Å; A254-V260 HydrophobicContact CB-CG2 4.28Å; V260-F564 PolarHBondContact N-O 3.26Å; V260-F564 PolarHBondContact O-N 2.79Å; V260-I566 HydrophobicContact CB-CD1 4.25Å; V260-I566 HydrophobicContact CB-CG1 4.37Å; V260-I566 HydrophobicContact CG2-CD1 3.88Å; V260-I566 HydrophobicContact CG2-CG1 3.71Å; V260-P588 HydrophobicContact CG1-CB 4.05Å; V260-P588 HydrophobicContact CG1-CG 4.47Å; V260-L598 HydrophobicContact CG1-CD2 3.61Å; V260-V600 HydrophobicContact CG2-CG1 3.91Å; V260-V600 HydrophobicContact CG2-CG2 4.11Å
261	K	84.4	Confident	79	Confident	1 Å²	1	22.1 Å²	22.1	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.7	179.8	-60.8	-174.9	175.9	-174.8	0	109.6	D172 A252 W253 N255 C516 V562 V563	D172-K261 IonicContact OD1-NZ 2.79Å; D172-K261 PolarHBondContact OD1-NZ 3.35Å; D172-K261 VanDerWaalsContact OD2-CE 3.31Å; D172-K261 WeakPolarHBondContact OD2-CE 3.35Å; D172-K261 IonicContact OD2-NZ 3.84Å; D172-K261 PolarHBondContact OD2-NZ 3.2Å; A252-K261 WeakPolarHBondContact CA-O 3.23Å; W253-K261 HydrophobicContact CD2-CB 4.02Å; W253-K261 HydrophobicContact CE3-CB 4.19Å; W253-K261 HydrophobicContact CH2-CB 3.72Å; W253-K261 HydrophobicContact CH2-CD 4.34Å; W253-K261 HydrophobicContact CZ2-CB 3.54Å; W253-K261 HydrophobicContact CZ2-CD 3.52Å; W253-K261 HydrophobicContact CZ2-CG 4.13Å; W253-K261 HydrophobicContact CZ3-CB 4.03Å; W253-K261 PolarHBondContact N-O 3.29Å; W253-K261 VanDerWaalsContact N-O 3.07Å; W253-K261 PolarHBondContact O-N 3.05Å; N255-K261 WeakPolarHBondContact ND2-CE 3.48Å; K261-C516 WeakPolarHBondContact CE-O 3.46Å; K261-C516 PolarHBondContact NZ-O 3.37Å; K261-V562 CarbonylContact C-O 3.59Å; K261-V562 WeakPolarHBondContact CA-O 3.26Å; K261-V563 HydrophobicContact CG-CG1 4.13Å; K261-V563 HydrophobicContact CG-CG2 4.18Å
262	I	85.6	Confident	76.8	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.9	173.6	-50	-177.9	0	0	0	107.8	I251 A252 E561 V562 F564 F590 L598 V629	I251-I262 CarbonylContact O-C 3.27Å; I251-I262 VanDerWaalsContact O-CA 3.29Å; I251-I262 WeakPolarHBondContact O-CA 3.43Å; A252-I262 HydrophobicContact CB-CG1 4.25Å; I262-E561 CarbonylContact O-C 3.49Å; I262-E561 VanDerWaalsContact O-CA 3.28Å; I262-E561 WeakPolarHBondContact O-CA 3.25Å; I262-V562 PolarHBondContact N-O 2.73Å; I262-V562 PolarHBondContact O-N 3.12Å; I262-F564 HydrophobicContact CD1-CD2 4.2Å; I262-F564 HydrophobicContact CD1-CE2 3.62Å; I262-F564 HydrophobicContact CG1-CD2 4.43Å; I262-F564 HydrophobicContact CG1-CE2 4.2Å; I262-F590 HydrophobicContact CG2-CZ 4.13Å; I262-L598 HydrophobicContact CD1-CD2 3.63Å; I262-L598 HydrophobicContact CG1-CD2 4.03Å; I262-V629 HydrophobicContact CD1-CB 3.95Å; I262-V629 HydrophobicContact CD1-CG1 3.36Å
263	M	84.2	Confident	74.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.6	176.5	-173.5	177.1	-77.9	0	0	111.5	F133 L169 R250 I251 W253 T518 L559 E560 E561	F133-M263 HydrophobicContact CE2-CG 4.46Å; F133-M263 HydrophobicContact CE2-SD 4.49Å; L169-M263 HydrophobicContact CD1-SD 3.9Å; L169-M263 HydrophobicContact CD2-SD 3.76Å; L169-M263 HydrophobicContact CG-SD 4.43Å; R250-M263 CarbonylContact C-O 3.53Å; R250-M263 VanDerWaalsContact CA-O 3.27Å; R250-M263 WeakPolarHBondContact CA-O 3.29Å; I251-M263 HydrophobicContact CD1-CB 4.4Å; I251-M263 HydrophobicContact CG1-CB 3.94Å; I251-M263 PolarHBondContact N-O 2.78Å; I251-M263 PolarHBondContact O-N 3.28Å; W253-M263 HydrophobicContact CH2-CB 4.16Å; W253-M263 HydrophobicContact CH2-CE 4.49Å; W253-M263 HydrophobicContact CZ3-CB 3.93Å; M263-T518 HydrophobicContact CE-CG2 3.6Å; M263-L559 HydrophobicContact SD-CD2 3.89Å; M263-E560 CarbonylContact C-O 3.53Å; M263-E560 VanDerWaalsContact CA-O 3.25Å; M263-E560 WeakPolarHBondContact CA-O 3.35Å; M263-E560 WeakPolarHBondContact CG-O 3.5Å; M263-E561 HydrophobicContact CE-CB 4.14Å; M263-E561 HydrophobicContact CE-CG 4.26Å
264	S	84.4	Confident	72.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.7	172.6	-175.5	0	0	0	0	109.5	L249 L559 E560	L249-S264 PolarHBondContact O-OG 2.85Å; S264-L559 WeakPolarHBondContact O-CA 3.08Å; S264-E560 PolarHBondContact N-O 3.03Å; S264-E560 PolarHBondContact O-N 3.17Å
265	C	82	Confident	69.9	Low	2 Å²	2	38.1 Å²	38.1	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.6	174.8	-172.9	0	0	0	0	111	F133 H558 L559	F133-C265 HydrophobicContact CB-CB 4.09Å; F133-C265 HydrophobicContact CD1-CB 4.01Å; F133-C265 HydrophobicContact CD2-CB 3.37Å; F133-C265 HydrophobicContact CE1-CB 4.26Å; F133-C265 HydrophobicContact CE2-CB 3.65Å; F133-C265 HydrophobicContact CG-CB 3.57Å; F133-C265 HydrophobicContact CZ-CB 4.1Å; C265-H558 CarbonylContact C-O 3.56Å; C265-H558 WeakPolarHBondContact CA-O 3.04Å; C265-L559 HydrophobicContact CB-CG 4.38Å
266	S	81.9	Confident	68.3	Low	2 Å²	2	43.7 Å²	43.7	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.1	170.4	69.3	0	0	0	0	110.2	A557 H558	S266-A557 WeakPolarHBondContact O-CA 3.49Å; S266-H558 PolarHBondContact N-O 2.72Å; S266-H558 PolarHBondContact O-N 2.96Å
267	F	82.4	Confident	67.1	Low	20 Å²	20	42.7 Å²	42.7	9%	0.088	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.5	178.2	-63.2	-80.5	0	0	0	110.6	F133 L135 W525 V555 F556 A557	F133-F267 HydrophobicContact CB-CE2 3.91Å; F133-F267 HydrophobicContact CB-CZ 3.76Å; L135-F267 HydrophobicContact CD1-CB 3.88Å; L135-F267 HydrophobicContact CD1-CG 4.24Å; L135-F267 HydrophobicContact CD2-CB 3.66Å; L135-F267 HydrophobicContact CD2-CD2 3.93Å; L135-F267 HydrophobicContact CD2-CG 4.02Å; L135-F267 HydrophobicContact CG-CB 3.78Å; L135-F267 HydrophobicContact CG-CD1 4.44Å; L135-F267 HydrophobicContact CG-CD2 3.92Å; L135-F267 HydrophobicContact CG-CG 3.8Å; F267-W525 HydrophobicContact CD1-CH2 4.06Å; F267-W525 AromaticContact CE1-CH2 3.73Å; F267-W525 HydrophobicContact CE1-CH2 3.73Å; F267-W525 HydrophobicContact CE1-CZ2 4.03Å; F267-V555 HydrophobicContact CB-CG2 4.05Å; F267-V555 HydrophobicContact CD1-CG2 4.05Å; F267-V555 HydrophobicContact CG-CG2 4.49Å; F267-F556 CarbonylContact C-O 3.48Å; F267-F556 VanDerWaalsContact CA-O 3.24Å; F267-F556 WeakPolarHBondContact CA-O 3.47Å; F267-A557 HydrophobicContact CD1-CB 3.81Å; F267-A557 HydrophobicContact CE1-CB 3.68Å
268	K	77.5	Confident	66.1	Low	61 Å²	61	39.6 Å²	39.6	27%	0.265	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.8	173.6	-70.2	-180	-167.6	148.1	0	110.3	T280 F556	K268-T280 PolarHBondContact NZ-O 3.3Å; K268-T280 PolarHBondContact NZ-OG1 3.47Å; K268-F556 PolarHBondContact N-O 2.82Å; K268-F556 PolarHBondContact O-N 2.88Å
269	P	72.5	Confident	64.4	Low	65 Å²	65	43.2 Å²	43.2	42%	0.422	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.2	172.1	28.7	-32.3	0	0	0	110.3	I162 T271	I162-P269 HydrophobicContact CD1-CB 4.45Å; I162-P269 HydrophobicContact CG2-CB 4Å; P269-T271 PolarHBondContact O-N 3Å; P269-T271 VanDerWaalsContact O-N 3.16Å
270	S	66.8	Low	62.5	Low	14 Å²	14	46.4 Å²	46.4	10%	0.098	28%	0.277	C	S	.	.			trans	-69.5	111	173.2	72.6	0	0	0	0	110.2	T551 R553 R554	S270-T551 VanDerWaalsContact CB-O 3.25Å; S270-T551 WeakPolarHBondContact CB-O 3.44Å; S270-T551 PolarHBondContact OG-O 3.34Å; S270-R553 PolarHBondContact OG-N 3.28Å; S270-R554 WeakPolarHBondContact CB-O 3.45Å; S270-R554 PolarHBondContact N-O 3.32Å; S270-R554 PolarHBondContact OG-N 3.05Å; S270-R554 VanDerWaalsContact OG-N 3.17Å; S270-R554 PolarHBondContact OG-O 3.19Å
271	T	56.6	Low	60.4	Low	75 Å²	75	49.8 Å²	49.8	46%	0.46	30%	0.295	S	S	.	.			trans	-83	140	175	49.4	0	0	0	0	110.3	P269 S273	P269-T271 PolarHBondContact O-N 3Å; P269-T271 VanDerWaalsContact O-N 3.16Å; T271-S273 PolarHBondContact O-N 2.67Å; T271-S273 PolarHBondContact OG1-OG 2.98Å
272	N	44.2	Very low	58.3	Low	121 Å²	121	50.1 Å²	50.1	65%	0.647	30%	0.297	S	S	*	.	S	Bend	trans	-63	-9.8	-179.7	-77.3	-25.9	0	0	0	114.8	G274 Q552	N272-G274 PolarHBondContact O-N 3.37Å; N272-Q552 VanDerWaalsContact OD1-CG 3.24Å; N272-Q552 WeakPolarHBondContact OD1-CG 3.47Å; N272-Q552 PolarHBondContact OD1-NE2 2.64Å
273	S	42	Very low	56.5	Low	60 Å²	60	54.5 Å²	54.5	42%	0.42	32%	0.316	S	S	.	.	S	Bend	trans	-73.1	121.3	176.4	50	0	0	0	0	109.1	T271 D275	T271-S273 PolarHBondContact O-N 2.67Å; T271-S273 PolarHBondContact OG1-OG 2.98Å; S273-D275 PolarHBondContact O-N 2.8Å
274	G	38.8	Very low	54.3	Low	60 Å²	60	54.5 Å²	54.5	62%	0.619	32%	0.316	S	S	*	.			trans	-62.3	23.8	176.9	0	0	0	0	0	115.6	N272	N272-G274 PolarHBondContact O-N 3.37Å
275	D	36.3	Very low	52.2	Low	109 Å²	109	55 Å²	55	58%	0.583	32%	0.32	S	S	*	.			trans	-81.5	117.4	171.3	-74.6	-28.2	0	0	0	108.7	S273 S277	S273-D275 PolarHBondContact O-N 2.8Å; D275-S277 PolarHBondContact O-N 2.99Å
276	F	42.3	Very low	50.2	Low	125 Å²	125	57.2 Å²	57.2	55%	0.548	34%	0.335	S	S	.	.			trans	-59.1	23.8	174.6	-66.6	-91.8	0	0	0	114.5	F278 H532 F544	F276-F278 PolarHBondContact O-N 3.32Å; F276-F278 VanDerWaalsContact O-N 3.1Å; F276-H532 AromaticContact CD1-NE2 3.7Å; F276-H532 AromaticContact CE1-CE1 3.61Å; F276-H532 AromaticContact CE1-NE2 3.26Å; F276-H532 VanDerWaalsContact CE1-NE2 3.26Å; F276-H532 WeakPolarHBondContact CE1-NE2 3.47Å; F276-H532 AromaticContact CZ-NE2 3.94Å; F276-F544 HydrophobicContact CZ-CE1 4.25Å
277	S	43.9	Very low	48	Very low	63 Å²	63	60.7 Å²	60.7	44%	0.441	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-72	3.4	-177.6	69.3	0	0	0	0	114.4	D275 C279 T280	D275-S277 PolarHBondContact O-N 2.99Å; S277-C279 PolarHBondContact O-N 3.3Å; S277-T280 PolarHBondContact O-N 3.01Å; S277-T280 VanDerWaalsContact O-N 3.14Å; S277-T280 PolarHBondContact O-OG1 3.06Å
278	F	45.4	Very low	45.8	Very low	33 Å²	33	62.3 Å²	62.3	15%	0.145	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.2	174.5	-54.7	-63.8	0	0	0	112.6	F276 T280 F556 H558	F276-F278 PolarHBondContact O-N 3.32Å; F276-F278 VanDerWaalsContact O-N 3.1Å; F278-T280 PolarHBondContact O-N 2.87Å; F278-T280 VanDerWaalsContact O-N 3.15Å; F278-F556 AromaticContact CD1-CD2 3.92Å; F278-F556 HydrophobicContact CD1-CD2 3.92Å; F278-F556 AromaticContact CD1-CE2 3.48Å; F278-F556 HydrophobicContact CD1-CE2 3.48Å; F278-F556 VanDerWaalsContact CD1-CE2 3.48Å; F278-F556 HydrophobicContact CD1-CZ 4Å; F278-F556 HydrophobicContact CE1-CD2 4.36Å; F278-F556 AromaticContact CE1-CE2 3.71Å; F278-F556 HydrophobicContact CE1-CE2 3.71Å; F278-F556 HydrophobicContact CE1-CZ 4.4Å; F278-F556 HydrophobicContact CG-CE2 4.13Å; F278-F556 HydrophobicContact CG-CZ 4.19Å; F278-F556 HydrophobicContact CZ-CE2 4.49Å; F278-H558 PolarHBondContact O-CE1 3.04Å; F278-H558 VanDerWaalsContact O-CE1 3.26Å
279	C	40	Very low	43.7	Very low	92 Å²	92	65.8 Å²	65.8	62%	0.622	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-82.6	33.2	171.1	-60.7	0	0	0	0	113	S277 L281	S277-C279 PolarHBondContact O-N 3.3Å; C279-L281 PolarHBondContact O-N 3.14Å
280	T	39	Very low	41.8	Very low	68 Å²	68	65.3 Å²	65.3	42%	0.417	40%	0.397	S	S	.	.			trans	-81.3	105	169.4	23.5	0	0	0	0	108.2	K268 S277 F278	K268-T280 PolarHBondContact NZ-O 3.3Å; K268-T280 PolarHBondContact NZ-OG1 3.47Å; S277-T280 PolarHBondContact O-N 3.01Å; S277-T280 VanDerWaalsContact O-N 3.14Å; S277-T280 PolarHBondContact O-OG1 3.06Å; F278-T280 PolarHBondContact O-N 2.87Å; F278-T280 VanDerWaalsContact O-N 3.15Å
281	L	38.2	Very low	39.8	Very low	72 Å²	72	72.4 Å²	72.4	38%	0.377	43%	0.434	S	S	.	.			trans	-49.9	132.6	171.9	-72.8	163.1	0	0	0	108.6	C279 L296	C279-L281 PolarHBondContact O-N 3.14Å; L281-L296 HydrophobicContact CD1-CD1 4.5Å
282	P	40.3	Very low	38.7	Very low	7 Å²	7	74 Å²	74	5%	0.045	43%	0.432	C	S	.	.			trans	-50.8	148.9	160.8	21.7	-27.3	0	0	0	108.2	G284 H432 H558 E560	P282-G284 VanDerWaalsContact C-N 3.28Å; P282-H432 WeakPolarHBondContact CD-NE2 3.3Å; P282-H432 VanDerWaalsContact CG-CD2 3.44Å; P282-H432 WeakPolarHBondContact CG-CD2 3.5Å; P282-H432 WeakPolarHBondContact CG-NE2 3.29Å; P282-H558 HydrophobicContact CB-CB 4.05Å; P282-H558 HydrophobicContact CG-CB 3.52Å; P282-E560 WeakPolarHBondContact CA-OE1 3.43Å; P282-E560 HydrophobicContact CB-CG 4.01Å; P282-E560 WeakPolarHBondContact CB-OE1 3.38Å; P282-E560 HydrophobicContact CG-CG 3.45Å; P282-E560 VanDerWaalsContact CG-CG 3.45Å; P282-E560 WeakPolarHBondContact CG-OE1 3.38Å
283	K	48	Very low	37.9	Very low	94 Å²	94	71.3 Å²	71.3	41%	0.409	42%	0.421	S	S	.	.			trans	-104	24.1	176.9	-73.3	174.4	-178	179.5	0	108.8	T246 T285	T246-K283 VanDerWaalsContact CG2-C 3.48Å; T246-K283 HydrophobicContact CG2-CB 3.17Å; T246-K283 HydrophobicContact CG2-CD 4.44Å; T246-K283 HydrophobicContact CG2-CG 4.43Å; T246-K283 WeakPolarHBondContact CG2-O 3.45Å; K283-T285 VanDerWaalsContact C-N 3.25Å; K283-T285 PolarHBondContact O-N 2.97Å
284	G	37.3	Very low	37.2	Very low	0 Å²	0	76.1 Å²	76.1	0%	0	44%	0.437	C	S	.	.	S	Bend	trans	-64.8	-33.5	-162.5	0	0	0	0	0	110.9	R250 P282 E560	R250-G284 PolarHBondContact NE-O 3.27Å; R250-G284 PolarHBondContact NH2-O 3.49Å; P282-G284 VanDerWaalsContact C-N 3.28Å; G284-E560 WeakPolarHBondContact CA-OE2 3.45Å; G284-E560 PolarHBondContact N-OE1 3.13Å; G284-E560 PolarHBondContact N-OE2 3.29Å
285	T	41.7	Very low	36.7	Very low	13 Å²	13	76 Å²	76	8%	0.08	43%	0.426	C	S	.	.	S	Bend	trans	-121.2	-13.5	177.3	58	0	0	0	0	113.6	K283 E560 V562 T630	K283-T285 VanDerWaalsContact C-N 3.25Å; K283-T285 PolarHBondContact O-N 2.97Å; T285-E560 PolarHBondContact N-OE2 3.37Å; T285-E560 PolarHBondContact OG1-OE2 3.23Å; T285-V562 HydrophobicContact CG2-CG2 3.85Å; T285-T630 VanDerWaalsContact O-CA 3.27Å; T285-T630 WeakPolarHBondContact O-CA 3.47Å
286	S	39	Very low	36.5	Very low	47 Å²	47	75.5 Å²	75.5	33%	0.329	42%	0.424	S	S	.	.			trans	-97.3	142.3	-175.4	-177.4	0	0	0	0	114.4
287	T	36.6	Very low	35.6	Very low	76 Å²	76	74 Å²	74	47%	0.466	43%	0.429	S	S	.	.			trans	-92.4	-2	-176.5	45.4	0	0	0	0	115.3	I289 T630	T287-I289 PolarHBondContact O-N 3.36Å; T287-T630 HydrophobicContact CG2-CG2 3.82Å
288	S	35.2	Very low	34.8	Very low	54 Å²	54	76.7 Å²	76.7	38%	0.378	43%	0.43	S	S	.	.			trans	-78.1	99.2	-174.4	58.1	0	0	0	0	113.1	Y292	S288-Y292 PolarHBondContact OG-OH 3.36Å
289	I	33.4	Very low	34	Very low	134 Å²	134	81.8 Å²	81.8	69%	0.687	45%	0.452	S	S	*	.			trans	-87.3	111.7	168.6	-63.9	168.7	0	0	0	108.9	T287	T287-I289 PolarHBondContact O-N 3.36Å
290	G	32.3	Very low	33.4	Very low	55 Å²	55	78.6 Å²	78.6	57%	0.567	43%	0.43	S	S	*	.	S	Bend	trans	99.2	9	140.1	0	0	0	0	0	120.2
291	N	26.3	Very low	33	Very low	163 Å²	163	77.9 Å²	77.9	87%	0.872	43%	0.427	S	S	*	.			trans	-158.7	94.5	162.1	-87.2	-36.4	0	0	0	109.4
292	Y	32.4	Very low	32.6	Very low	108 Å²	108	80.7 Å²	80.7	42%	0.424	44%	0.441	S	S	.	.			trans	-79.4	139.3	159	-71.6	-80.7	0	0	0	107.8	S288 L296	S288-Y292 PolarHBondContact OG-OH 3.36Å; Y292-L296 HydrophobicContact CD1-CD1 3.59Å; Y292-L296 HydrophobicContact CE1-CD1 3.73Å; Y292-L296 HydrophobicContact CG-CD1 4.47Å
293	P	27.2	Very low	32.1	Very low	64 Å²	64	84.3 Å²	84.3	42%	0.416	46%	0.459	S	S	.	.			trans	-59.2	149.1	159.5	28	-29.6	0	0	0	107.8	S295	P293-S295 PolarHBondContact O-N 2.57Å
294	E	27.4	Very low	31.3	Very low	161 Å²	161	81.8 Å²	81.8	75%	0.752	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	16.7	-179.8	-112.4	175.7	172	0	0	115.4	S297	E294-S297 PolarHBondContact O-OG 3.1Å
295	S	28.8	Very low	30.9	Very low	57 Å²	57	87.7 Å²	87.7	40%	0.399	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	19.4	-169.4	52.9	0	0	0	0	115.6	P293 S297	P293-S295 PolarHBondContact O-N 2.57Å; S295-S297 VanDerWaalsContact C-N 3.28Å
296	L	31.2	Very low	30.5	Very low	100 Å²	100	88.8 Å²	88.8	52%	0.524	49%	0.485	S	S	.	.			trans	-96.6	25.1	155	-86.9	164.3	0	0	0	112.3	L281 Y292 Y298	L281-L296 HydrophobicContact CD1-CD1 4.5Å; Y292-L296 HydrophobicContact CD1-CD1 3.59Å; Y292-L296 HydrophobicContact CE1-CD1 3.73Å; Y292-L296 HydrophobicContact CG-CD1 4.47Å; L296-Y298 PolarHBondContact O-N 3.18Å
297	S	24.3	Very low	30.4	Very low	94 Å²	94	91.8 Å²	91.8	66%	0.657	49%	0.49	S	S	*	.			trans	-70.8	69.8	162.4	36.3	0	0	0	0	109.8	E294 S295	E294-S297 PolarHBondContact O-OG 3.1Å; S295-S297 VanDerWaalsContact C-N 3.28Å
298	Y	27.9	Very low	30.6	Very low	119 Å²	119	88.3 Å²	88.3	47%	0.467	47%	0.468	S	S	.	.			trans	-114.4	112.8	171.3	-82.5	-71.2	0	0	0	113	L296 L416	L296-Y298 PolarHBondContact O-N 3.18Å; Y298-L416 HydrophobicContact CD1-CB 3.54Å; Y298-L416 HydrophobicContact CD1-CD2 3.8Å; Y298-L416 HydrophobicContact CD1-CG 4.21Å; Y298-L416 HydrophobicContact CD2-CD2 3.54Å; Y298-L416 HydrophobicContact CE1-CB 2.95Å; Y298-L416 HydrophobicContact CE1-CD1 4.09Å; Y298-L416 HydrophobicContact CE1-CD2 3.46Å; Y298-L416 VanDerWaalsContact CE1-CD2 3.46Å; Y298-L416 HydrophobicContact CE1-CG 3.56Å; Y298-L416 HydrophobicContact CE2-CB 4.33Å; Y298-L416 HydrophobicContact CE2-CD1 4.33Å; Y298-L416 HydrophobicContact CE2-CD2 3.1Å; Y298-L416 HydrophobicContact CE2-CG 4.02Å; Y298-L416 HydrophobicContact CG-CB 4.47Å; Y298-L416 HydrophobicContact CG-CD2 3.87Å; Y298-L416 VanDerWaalsContact CZ-CG 3.41Å; Y298-L416 WeakPolarHBondContact OH-CD1 3.46Å; Y298-L416 WeakPolarHBondContact OH-CD2 3.48Å; Y298-L416 WeakPolarHBondContact OH-CG 3.42Å
299	K	28.6	Very low	30.9	Very low	140 Å²	140	87.4 Å²	87.4	61%	0.609	46%	0.462	S	S	*	.			trans	-9.5	156.4	140.3	-72.2	177.7	176.2	179.4	0	115.4	V533	K299-V533 HydrophobicContact CB-CG2 4.26Å; K299-V533 HydrophobicContact CG-CG2 4.49Å
300	P	26.6	Very low	31.1	Very low	25 Å²	25	85.1 Å²	85.1	16%	0.162	45%	0.454	C	S	.	.	S	Bend	trans	-66.2	180	-137.7	47.9	-33.3	0	0	0	111.9	L302 I529 A530 V533	P300-L302 PolarHBondContact O-N 3.44Å; P300-I529 HydrophobicContact CB-CG2 4.21Å; P300-A530 HydrophobicContact CB-CB 3.89Å; P300-V533 HydrophobicContact CB-CB 4.04Å; P300-V533 HydrophobicContact CB-CG1 4.42Å; P300-V533 HydrophobicContact CB-CG2 3.65Å; P300-V533 HydrophobicContact CG-CB 3.55Å; P300-V533 HydrophobicContact CG-CG1 3.46Å; P300-V533 VanDerWaalsContact CG-CG1 3.46Å; P300-V533 HydrophobicContact CG-CG2 3.25Å
301	P	30.7	Very low	31.4	Very low	53 Å²	53	85.7 Å²	85.7	34%	0.344	45%	0.449	S	S	.	.			trans	-66.4	110.4	173.5	5	12.1	0	0	0	108.4	E527 Y528	P301-E527 WeakPolarHBondContact CB-OE1 3.2Å; P301-E527 HydrophobicContact CG-CG 4.45Å; P301-Y528 WeakPolarHBondContact CD-O 3.36Å; P301-Y528 WeakPolarHBondContact CG-O 3.4Å
302	L	28.7	Very low	31.8	Very low	130 Å²	130	84.1 Å²	84.1	68%	0.681	43%	0.432	S	S	*	.			trans	-87.8	114.5	150.9	-95.9	154.3	0	0	0	104.5	P300 T304	P300-L302 PolarHBondContact O-N 3.44Å; L302-T304 PolarHBondContact O-N 2.68Å; L302-T304 VanDerWaalsContact O-N 3.11Å
303	I	30.5	Very low	31.7	Very low	83 Å²	83	84.5 Å²	84.5	43%	0.426	45%	0.45	S	S	.	.			trans	3.7	100.3	149.8	-58.2	169.4	0	0	0	110.6	H305 L512	I303-H305 PolarHBondContact O-N 3.42Å; I303-L512 HydrophobicContact CB-CD2 4.08Å; I303-L512 HydrophobicContact CD1-CD2 3.68Å; I303-L512 HydrophobicContact CG1-CD2 3.56Å; I303-L512 HydrophobicContact CG2-CD2 3.44Å; I303-L512 VanDerWaalsContact CG2-CD2 3.44Å
304	T	31.8	Very low	32.1	Very low	41 Å²	41	88.7 Å²	88.7	25%	0.252	46%	0.458	S	S	.	.			trans	-54.7	115.7	166.1	45.8	0	0	0	0	106.6	L302 N306 L431	L302-T304 PolarHBondContact O-N 2.68Å; L302-T304 VanDerWaalsContact O-N 3.11Å; T304-N306 PolarHBondContact O-N 2.85Å; T304-L431 HydrophobicContact CG2-CD1 3.87Å; T304-L431 WeakPolarHBondContact OG1-CD1 3.49Å
305	H	29.2	Very low	32.3	Very low	124 Å²	124	85.2 Å²	85.2	57%	0.574	45%	0.449	S	S	*	.			trans	-57	111.9	159.7	-73.6	-35.1	0	0	0	106.4	I303 Y307	I303-H305 PolarHBondContact O-N 3.42Å; H305-Y307 VanDerWaalsContact C-N 3.3Å; H305-Y307 HydrophobicContact CB-CD2 4.4Å; H305-Y307 HydrophobicContact CB-CE2 3.91Å; H305-Y307 WeakPolarHBondContact O-CD2 3.24Å; H305-Y307 PolarHBondContact O-N 3.22Å
306	N	33	Very low	32.3	Very low	36 Å²	36	88.6 Å²	88.6	19%	0.193	46%	0.462	C	S	.	.			trans	-65.9	88.9	180	-68.1	-42	0	0	0	108.5	T304 C308 L512 G514 H517	T304-N306 PolarHBondContact O-N 2.85Å; N306-C308 VanDerWaalsContact C-N 3.28Å; N306-C308 PolarHBondContact O-N 3.06Å; N306-C308 VanDerWaalsContact O-N 3.08Å; N306-L512 PolarHBondContact ND2-O 3.3Å; N306-G514 PolarHBondContact ND2-N 2.83Å; N306-H517 PolarHBondContact OD1-CD2 2.79Å
307	Y	36.5	Very low	32.6	Very low	111 Å²	111	93 Å²	93	44%	0.435	48%	0.481	S	S	.	.			trans	-77.4	90.1	163.2	-66.8	-81	0	0	0	107.1	H305 Y312 L420 S429	H305-Y307 VanDerWaalsContact C-N 3.3Å; H305-Y307 HydrophobicContact CB-CD2 4.4Å; H305-Y307 HydrophobicContact CB-CE2 3.91Å; H305-Y307 WeakPolarHBondContact O-CD2 3.24Å; H305-Y307 PolarHBondContact O-N 3.22Å; Y307-Y312 HydrophobicContact CD1-CE2 4.44Å; Y307-L420 HydrophobicContact CD2-CD1 3.62Å; Y307-L420 HydrophobicContact CD2-CD2 4.2Å; Y307-L420 HydrophobicContact CD2-CG 4.21Å; Y307-L420 HydrophobicContact CE2-CD1 3.58Å; Y307-L420 HydrophobicContact CG-CD1 4.39Å; Y307-L420 HydrophobicContact CG-CD2 4.45Å; Y307-S429 WeakPolarHBondContact O-CB 3.16Å
308	C	40	Very low	32.9	Very low	3 Å²	3	95.9 Å²	95.9	2%	0.02	49%	0.488	C	S	.	.			trans	-100	131.2	164.7	177.5	0	0	0	0	108.2	N306 T310 C311 Y312 C516	N306-C308 VanDerWaalsContact C-N 3.28Å; N306-C308 PolarHBondContact O-N 3.06Å; N306-C308 VanDerWaalsContact O-N 3.08Å; C308-T310 PolarHBondContact O-N 2.83Å; C308-T310 VanDerWaalsContact O-N 3.11Å; C308-T310 PolarHBondContact SG-OG1 2.79Å; C308-T310 VanDerWaalsContact SG-OG1 3.41Å; C308-C311 HydrophobicContact CB-CB 4.19Å; C308-C311 PolarHBondContact O-N 3.46Å; C308-C311 VanDerWaalsContact O-N 3.17Å; C308-Y312 PolarHBondContact O-N 2.87Å; C308-C516 HydrophobicContact CB-CB 3.6Å; C308-C516 WeakPolarHBondContact CB-SG 3.41Å; C308-C516 WeakPolarHBondContact SG-CB 3.48Å; C308-C516 CovalentContact SG-SG 2.01Å; C308-C516 PolarHBondContact SG-SG 2.67Å
309	S	41.2	Very low	33	Very low	34 Å²	34	97.1 Å²	97.1	24%	0.238	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.5	179.8	79.7	0	0	0	0	112.7	D565	S309-D565 WeakPolarHBondContact CB-OD2 3.28Å; S309-D565 PolarHBondContact OG-OD2 3.26Å
310	T	39	Very low	32.9	Very low	87 Å²	87	97.4 Å²	97.4	53%	0.534	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-37.1	177.2	-30.1	0	0	0	0	113	Q259 C308 Y312	Q259-T310 PolarHBondContact NE2-OG1 3.47Å; C308-T310 PolarHBondContact O-N 2.83Å; C308-T310 VanDerWaalsContact O-N 3.11Å; C308-T310 PolarHBondContact SG-OG1 2.79Å; C308-T310 VanDerWaalsContact SG-OG1 3.41Å; T310-Y312 PolarHBondContact O-N 2.77Å
311	C	37.7	Very low	32.9	Very low	66 Å²	66	101.7 Å²	101.7	45%	0.446	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.7	177.4	-59.4	0	0	0	0	112.6	C308	C308-C311 HydrophobicContact CB-CB 4.19Å; C308-C311 PolarHBondContact O-N 3.46Å; C308-C311 VanDerWaalsContact O-N 3.17Å
312	Y	34.6	Very low	32.6	Very low	131 Å²	131	107 Å²	107	51%	0.514	56%	0.555	S	S	.	*	S	Bend	trans	-115.1	107.8	173.3	-97.8	-92.6	0	0	0	109.6	Y307 C308 T310 W314	Y307-Y312 HydrophobicContact CD1-CE2 4.44Å; C308-Y312 PolarHBondContact O-N 2.87Å; T310-Y312 PolarHBondContact O-N 2.77Å; Y312-W314 PolarHBondContact O-N 2.9Å; Y312-W314 VanDerWaalsContact O-N 3.1Å
313	S	31.5	Very low	32.6	Very low	116 Å²	116	108.5 Å²	108.5	81%	0.811	56%	0.559	S	S	*	*			trans	-65.7	110.2	167.4	55.6	0	0	0	0	109
314	W	36.1	Very low	32.4	Very low	152 Å²	152	112.1 Å²	112.1	58%	0.576	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-75.6	136.8	167.1	-61.5	95.2	0	0	0	108.3	Y312 D316 I426	Y312-W314 PolarHBondContact O-N 2.9Å; Y312-W314 VanDerWaalsContact O-N 3.1Å; W314-D316 PolarHBondContact O-N 2.77Å; W314-I426 HydrophobicContact CZ2-CG2 4.43Å
315	P	29.6	Very low	32	Very low	88 Å²	88	117.8 Å²	117.8	57%	0.571	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-57.4	136.9	171.8	24.2	-30.6	0	0	0	108.4	E317	P315-E317 PolarHBondContact O-N 2.88Å
316	D	30.3	Very low	32	Very low	127 Å²	127	117.9 Å²	117.9	68%	0.679	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.7	140.9	174.2	-83.4	-35.4	0	0	0	108.9	W314 N318 E319	W314-D316 PolarHBondContact O-N 2.77Å; D316-N318 PolarHBondContact O-N 2.85Å; D316-E319 PolarHBondContact O-N 2.92Å
317	E	36	Very low	31.8	Very low	194 Å²	194	121.1 Å²	121.1	91%	0.907	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-7.3	-176.9	-65.7	-174.3	169.1	0	0	114.3	P315	P315-E317 PolarHBondContact O-N 2.88Å
318	N	31.5	Very low	31.4	Very low	153 Å²	153	120.9 Å²	120.9	82%	0.818	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-4.6	178.7	-67.3	-41.7	0	0	0	115.2	D316 L320	D316-N318 PolarHBondContact O-N 2.85Å; N318-L320 VanDerWaalsContact C-N 3.28Å; N318-L320 PolarHBondContact O-N 2.88Å; N318-L320 VanDerWaalsContact O-N 3.16Å
319	E	29.4	Very low	31.1	Very low	145 Å²	145	127.6 Å²	127.6	68%	0.678	68%	0.676	S	S	*	*			trans	-88.4	71.5	169.6	-71.5	-165.9	165.4	0	0	109.6	D316 C321	D316-E319 PolarHBondContact O-N 2.92Å; E319-C321 PolarHBondContact O-N 3.34Å
320	L	27.6	Very low	30.5	Very low	147 Å²	147	134.6 Å²	134.6	77%	0.77	71%	0.709	S	S	*	*			trans	-53.7	113.2	161	-77.9	159.6	0	0	0	107.4	N318 Q322	N318-L320 VanDerWaalsContact C-N 3.28Å; N318-L320 PolarHBondContact O-N 2.88Å; N318-L320 VanDerWaalsContact O-N 3.16Å; L320-Q322 PolarHBondContact O-N 2.85Å
321	C	26.6	Very low	29.9	Very low	114 Å²	114	134.5 Å²	134.5	77%	0.77	71%	0.712	S	S	*	*			trans	-57.2	87.4	162.7	-71	0	0	0	0	108	E319 E323	E319-C321 PolarHBondContact O-N 3.34Å; C321-E323 PolarHBondContact O-N 2.65Å
322	Q	24.7	Very low	29.5	Very low	165 Å²	165	137 Å²	137	77%	0.771	73%	0.73	S	S	*	*			trans	-69.7	110.2	165.2	-72.1	-167.4	-2.3	0	0	106.4	L320 E324	L320-Q322 PolarHBondContact O-N 2.85Å; Q322-E324 VanDerWaalsContact C-N 3.31Å; Q322-E324 PolarHBondContact O-N 3.02Å
323	E	27.9	Very low	29.4	Very low	161 Å²	161	139.5 Å²	139.5	75%	0.752	75%	0.752	S	S	*	*			trans	-61.9	98	160.5	-84	-173.3	144.4	0	0	108.1	C321 H325	C321-E323 PolarHBondContact O-N 2.65Å; E323-H325 PolarHBondContact O-N 3.49Å; E323-H325 IonicContact OE2-NE2 3.9Å
324	E	25.7	Very low	29.2	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.743	75%	0.747	S	S	*	*			trans	-67.9	90.3	156.7	-82.8	-164.3	163.5	0	0	108	Q322 N326	Q322-E324 VanDerWaalsContact C-N 3.31Å; Q322-E324 PolarHBondContact O-N 3.02Å; E324-N326 PolarHBondContact O-N 3.44Å; E324-N326 PolarHBondContact OE2-ND2 3.01Å
325	H	24.7	Very low	28.8	Very low	160 Å²	160	138.6 Å²	138.6	74%	0.741	76%	0.758	S	S	*	*			trans	-67.7	74.6	159.6	-92.3	-60.5	0	0	0	109.4	E323 S327	E323-H325 PolarHBondContact O-N 3.49Å; E323-H325 IonicContact OE2-NE2 3.9Å; H325-S327 PolarHBondContact O-N 2.85Å
326	N	28.1	Very low	28.6	Very low	126 Å²	126	138.5 Å²	138.5	67%	0.674	76%	0.759	S	S	*	*			trans	-83.4	106.2	163.6	-88.2	-34.4	0	0	0	108.8	E324	E324-N326 PolarHBondContact O-N 3.44Å; E324-N326 PolarHBondContact OE2-ND2 3.01Å
327	S	29	Very low	28.4	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	77%	0.77	S	S	*	*			trans	-46.1	136.7	167.9	51.6	0	0	0	0	111.6	H325	H325-S327 PolarHBondContact O-N 2.85Å
328	S	28.9	Very low	27.9	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	76%	0.757	S	S	*	*	S	Bend	trans	92.7	124.5	160	78.3	0	0	0	0	118.3
329	I	32.5	Very low	27.7	Very low	144 Å²	144	138.1 Å²	138.1	74%	0.738	76%	0.758	S	S	*	*			trans	84.6	96.5	160.2	-49.3	169.6	0	0	0	115.9	S331	I329-S331 PolarHBondContact O-N 2.83Å; I329-S331 VanDerWaalsContact O-N 3.14Å
330	I	29.6	Very low	27.6	Very low	181 Å²	181	140.1 Å²	140.1	93%	0.928	77%	0.765	S	S	*	*			trans	-64.7	102.6	160.7	-61	166.5	0	0	0	107.9
331	S	26	Very low	27.4	Very low	86 Å²	86	137.5 Å²	137.5	60%	0.601	76%	0.759	S	S	*	*			trans	-147.5	105.7	161.2	57.7	0	0	0	0	110.1	I329	I329-S331 PolarHBondContact O-N 2.83Å; I329-S331 VanDerWaalsContact O-N 3.14Å
332	S	30.1	Very low	27.4	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	76%	0.763	S	S	*	*			trans	43.4	93.1	158.8	62.6	0	0	0	0	117.7
333	L	32	Very low	27.4	Very low	185 Å²	185	139.5 Å²	139.5	97%	0.969	76%	0.762	S	S	*	*			trans	-85.3	131.4	155.3	-97.8	121.4	0	0	0	110.4	S335	L333-S335 PolarHBondContact O-N 2.93Å
334	N	26	Very low	27.3	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	77%	0.765	S	S	*	*			trans	-71.1	112.4	-164.7	-154.6	-13.8	0	0	0	111.1	S336	N334-S336 VanDerWaalsContact CG-OG 3.28Å; N334-S336 PolarHBondContact O-N 2.78Å; N334-S336 PolarHBondContact OD1-OG 3Å
335	S	28.6	Very low	27.3	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	77%	0.769	S	S	*	*	S	Bend	trans	-73.9	26.4	-177.1	59.4	0	0	0	0	114.6	L333	L333-S335 PolarHBondContact O-N 2.93Å
336	S	24.5	Very low	27.2	Very low	86 Å²	86	136.3 Å²	136.3	60%	0.601	77%	0.769	S	S	*	*			trans	-114.2	23.6	-168.5	53.6	0	0	0	0	114.9	N334	N334-S336 VanDerWaalsContact CG-OG 3.28Å; N334-S336 PolarHBondContact O-N 2.78Å; N334-S336 PolarHBondContact OD1-OG 3Å
337	K	27.4	Very low	27.2	Very low	208 Å²	208	136.6 Å²	136.6	90%	0.904	78%	0.775	S	S	*	*	S	Bend	trans	-122.7	6.1	174.1	-94.3	-172.9	176.3	-175	0	116.3
338	C	25.9	Very low	26.9	Very low	96 Å²	96	140.6 Å²	140.6	65%	0.649	78%	0.775	S	S	*	*			trans	-110.9	120.1	168.2	-99.9	0	0	0	0	109.2	F340	C338-F340 PolarHBondContact O-N 2.77Å
339	I	26.3	Very low	26.6	Very low	163 Å²	163	143.2 Å²	143.2	84%	0.836	78%	0.78	S	S	*	*	S	Bend	trans	-64.1	0.1	173.7	-72.2	169.5	0	0	0	112.3
340	F	28.2	Very low	26.3	Very low	186 Å²	186	143.1 Å²	143.1	82%	0.816	79%	0.786	S	S	*	*			trans	-107.3	41.1	-172.4	-59.7	-72.8	0	0	0	114.6	C338	C338-F340 PolarHBondContact O-N 2.77Å
341	S	23.7	Very low	26.1	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	78%	0.776	S	S	*	*			trans	-107.8	71.6	164.1	73	0	0	0	0	110.7
342	Q	24.8	Very low	26.3	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	78%	0.779	S	S	*	*	S	Bend	trans	-155.2	124.7	151	-108.4	163.5	31.3	0	0	110
343	D	25.7	Very low	26.3	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	78%	0.775	S	S	*	*	S	Bend	trans	79.9	74.4	173.2	-59.5	-14.9	0	0	0	120.2	L345	D343-L345 VanDerWaalsContact C-N 3.35Å; D343-L345 PolarHBondContact O-N 2.88Å
344	S	24.8	Very low	26.1	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	76%	0.762	S	S	*	*				45.6	27.1	128.8	71.6	0	0	0	0	121.9
345	L	25.8	Very low	26.2	Very low	158 Å²	158	133.2 Å²	133.2	83%	0.827	76%	0.759	S	S	*	*			trans	-99.6	102.5	156.8	-81.8	160.9	0	0	0	109.2	D343 V347	D343-L345 VanDerWaalsContact C-N 3.35Å; D343-L345 PolarHBondContact O-N 2.88Å; L345-V347 VanDerWaalsContact C-N 3.34Å; L345-V347 PolarHBondContact O-N 3.25Å
346	N	24.4	Very low	26.2	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	76%	0.762	S	S	*	*			trans	-58.8	90	175.4	-77.6	-34.1	0	0	0	111	Y348	N346-Y348 HydrophobicContact CB-CD2 4.37Å; N346-Y348 HydrophobicContact CB-CE2 4.05Å
347	V	26.2	Very low	26.3	Very low	132 Å²	132	139.8 Å²	139.8	80%	0.8	77%	0.768	S	S	*	*			trans	-89.2	106.4	161	-178.2	0	0	0	0	107	L345	L345-V347 VanDerWaalsContact C-N 3.34Å; L345-V347 PolarHBondContact O-N 3.25Å
348	Y	23.1	Very low	26.2	Very low	188 Å²	188	136.8 Å²	136.8	74%	0.737	76%	0.762	S	S	*	*			trans	-77.9	123.1	170.8	-78.5	-88.4	0	0	0	109.4	N346 V350	N346-Y348 HydrophobicContact CB-CD2 4.37Å; N346-Y348 HydrophobicContact CB-CE2 4.05Å; Y348-V350 PolarHBondContact O-N 3.02Å
349	L	24.2	Very low	26.3	Very low	161 Å²	161	139.2 Å²	139.2	84%	0.843	77%	0.768	S	S	*	*			trans	-61.8	125.6	164.4	-122	95	0	0	0	108.5
350	V	25.8	Very low	26.2	Very low	142 Å²	142	140.1 Å²	140.1	86%	0.861	77%	0.769	S	S	*	*			trans	-96.1	96.8	165.3	-177	0	0	0	0	107.5	Y348	Y348-V350 PolarHBondContact O-N 3.02Å
351	S	25.7	Very low	26	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	76%	0.758	S	S	*	*			trans	-79.6	106.9	167.1	49.5	0	0	0	0	110
352	D	30	Very low	26	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	76%	0.759	S	S	*	*			trans	-165.3	104	137.9	-165.9	-17.1	0	0	0	108.2	S354	D352-S354 VanDerWaalsContact C-N 3.32Å; D352-S354 PolarHBondContact O-N 2.99Å; D352-S354 WeakPolarHBondContact OD1-CB 3.35Å; D352-S354 PolarHBondContact OD1-N 2.82Å; D352-S354 PolarHBondContact OD1-OG 3.1Å
353	A	30.4	Very low	25.9	Very low	88 Å²	88	134.2 Å²	134.2	73%	0.727	75%	0.75	S	S	*	*			trans	-89.4	11.5	-171.7	0	0	0	0	0	113.5	A355	A353-A355 PolarHBondContact O-N 2.91Å
354	S	26.2	Very low	26	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	76%	0.755	S	S	*	*			trans	-87.9	7.4	-174.3	61.4	0	0	0	0	115.6	D352	D352-S354 VanDerWaalsContact C-N 3.32Å; D352-S354 PolarHBondContact O-N 2.99Å; D352-S354 WeakPolarHBondContact OD1-CB 3.35Å; D352-S354 PolarHBondContact OD1-N 2.82Å; D352-S354 PolarHBondContact OD1-OG 3.1Å
355	A	29.4	Very low	26.8	Very low	79 Å²	79	134.5 Å²	134.5	65%	0.653	75%	0.747	S	S	*	*			trans	-124.1	24.8	-169.5	0	0	0	0	0	116.4	A353 P357	A353-A355 PolarHBondContact O-N 2.91Å; A355-P357 WeakPolarHBondContact O-CD 3.41Å
356	W	27.4	Very low	26.7	Very low	225 Å²	225	135.2 Å²	135.2	85%	0.852	75%	0.752	S	S	*	*			trans	-96.5	104.5	163.1	-82.1	62.5	0	0	0	109.3
357	P	26.9	Very low	26.8	Very low	111 Å²	111	132.2 Å²	132.2	72%	0.721	75%	0.753	S	S	*	*			trans	-97.4	136.1	165	35.2	-27.4	0	0	0	109.8	A355 N359	A355-P357 WeakPolarHBondContact O-CD 3.41Å; P357-N359 PolarHBondContact O-N 2.92Å
358	D	26.1	Very low	26.8	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	76%	0.755	S	S	*	*			trans	-20.1	127.5	145.4	-61.1	-49.9	0	0	0	113.1
359	N	26.5	Very low	26.9	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	76%	0.76	S	S	*	*			trans	173.8	75.4	137.3	-84.5	-32.1	0	0	0	110.1	P357	P357-N359 PolarHBondContact O-N 2.92Å
360	H	25.9	Very low	26.9	Very low	181 Å²	181	132.5 Å²	132.5	84%	0.838	76%	0.757	S	S	*	*			trans	-64.9	136.2	141.9	-70.5	-78.4	0	0	0	107.9
361	S	22.9	Very low	26.8	Very low	85 Å²	85	132.9 Å²	132.9	59%	0.594	75%	0.753	S	S	*	*			trans	91	128.3	-175.5	89.6	0	0	0	0	113.6
362	N	23.1	Very low	26.6	Very low	127 Å²	127	136.9 Å²	136.9	68%	0.679	75%	0.753	S	S	*	*			cis	-158	145.5	37.9	-83.7	-59.4	0	0	0	113.6
363	L	22.5	Very low	26.3	Very low	126 Å²	126	138.5 Å²	138.5	66%	0.66	76%	0.756	S	S	*	*			trans	39.4	115.8	133.4	-64.9	148.1	0	0	0	119.6	H649	L363-H649 HydrophobicContact CD2-CB 4.06Å
364	L	28.3	Very low	26.1	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	76%	0.756	S	S	*	*			trans	-56.6	176.4	150.4	-75	156.2	0	0	0	111.1
365	P	42.3	Very low	26.1	Very low	102 Å²	102	142 Å²	142	66%	0.662	76%	0.763	S	S	*	*			cis	-133.6	151.5	-36.9	34.5	-17.6	0	0	0	112.4
366	D	24.6	Very low	25.9	Very low	174 Å²	174	141.7 Å²	141.7	93%	0.93	76%	0.756	S	S	*	*	S	Bend	trans	164.5	124.7	146.3	-95.1	-21.6	0	0	0	108.9
367	G	24.6	Very low	25.8	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	75%	0.752	S	S	*	*			trans	105.6	39.4	171.3	0	0	0	0	0	117.1	E369	G367-E369 VanDerWaalsContact C-N 3.25Å; G367-E369 PolarHBondContact O-N 3.02Å
368	A	26.8	Very low	25.8	Very low	102 Å²	102	138.2 Å²	138.2	84%	0.843	76%	0.76	S	S	*	*			trans	-67.1	84.7	167.7	0	0	0	0	0	111	R370	A368-R370 PolarHBondContact O-N 3.12Å
369	E	24.5	Very low	25.9	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	77%	0.766	S	S	*	*			trans	-57.5	115	151.1	-85.7	-170.2	158.8	0	0	107.3	G367 I371	G367-E369 VanDerWaalsContact C-N 3.25Å; G367-E369 PolarHBondContact O-N 3.02Å; E369-I371 PolarHBondContact O-N 3.34Å
370	R	24.2	Very low	26	Very low	205 Å²	205	144.7 Å²	144.7	77%	0.774	77%	0.769	S	S	*	*			trans	-57.3	102.6	171	-71.8	176.1	174.6	174.5	-2.1	108.4	A368 Y372	A368-R370 PolarHBondContact O-N 3.12Å; R370-Y372 VanDerWaalsContact C-N 3.32Å; R370-Y372 HydrophobicContact CB-CD2 4.34Å; R370-Y372 HydrophobicContact CB-CE2 4.33Å; R370-Y372 PolarHBondContact O-N 2.77Å
371	I	25.1	Very low	26.2	Very low	150 Å²	150	141.6 Å²	141.6	77%	0.769	77%	0.768	S	S	*	*			trans	-70.1	98	163.5	-58.6	177.7	0	0	0	106.5	E369 H373	E369-I371 PolarHBondContact O-N 3.34Å; I371-H373 PolarHBondContact O-N 3.01Å
372	Y	21.6	Very low	26.4	Very low	187 Å²	187	146 Å²	146	73%	0.733	78%	0.779	S	S	*	*			trans	-63.2	110.7	163.8	-86.1	-94.7	0	0	0	108.1	R370 N374	R370-Y372 VanDerWaalsContact C-N 3.32Å; R370-Y372 HydrophobicContact CB-CD2 4.34Å; R370-Y372 HydrophobicContact CB-CE2 4.33Å; R370-Y372 PolarHBondContact O-N 2.77Å; Y372-N374 PolarHBondContact O-N 3.4Å
373	H	23.5	Very low	26.5	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.736	78%	0.783	S	S	*	*			trans	-85.9	105.7	167.5	-128.4	-81.4	0	0	0	108.4	I371 C375	I371-H373 PolarHBondContact O-N 3.01Å; H373-C375 VanDerWaalsContact C-N 3.31Å; H373-C375 PolarHBondContact O-N 2.89Å
374	N	25.8	Very low	26.9	Very low	136 Å²	136	148.5 Å²	148.5	73%	0.727	79%	0.791	S	S	*	*			trans	-75.6	84.3	174.9	-145.7	18.7	0	0	0	108.1	Y372 S376	Y372-N374 PolarHBondContact O-N 3.4Å; N374-S376 PolarHBondContact ND2-OG 3.48Å; N374-S376 VanDerWaalsContact ND2-OG 3.17Å; N374-S376 PolarHBondContact O-N 3.01Å; N374-S376 PolarHBondContact OD1-OG 3.46Å
375	C	25.5	Very low	26.8	Very low	125 Å²	125	149.7 Å²	149.7	85%	0.845	79%	0.792	S	S	*	*			trans	-76.6	63.7	166	-70.1	0	0	0	0	108.9	H373	H373-C375 VanDerWaalsContact C-N 3.31Å; H373-C375 PolarHBondContact O-N 2.89Å
376	S	25.6	Very low	26.2	Very low	74 Å²	74	150.1 Å²	150.1	52%	0.517	80%	0.797	S	S	.	*			trans	-119.8	112.3	172.4	60.8	0	0	0	0	108.7	N374	N374-S376 PolarHBondContact ND2-OG 3.48Å; N374-S376 VanDerWaalsContact ND2-OG 3.17Å; N374-S376 PolarHBondContact O-N 3.01Å; N374-S376 PolarHBondContact OD1-OG 3.46Å
377	G	26.5	Very low	26.4	Very low	73 Å²	73	147.7 Å²	147.7	75%	0.753	79%	0.791	S	S	*	*			trans	84.4	152.5	144.7	0	0	0	0	0	118.3
378	E	26.5	Very low	26.5	Very low	190 Å²	190	152.8 Å²	152.8	89%	0.888	80%	0.795	S	S	*	*			trans	86.6	69.4	159.9	-51.8	-172	177.3	0	0	117.7
379	K	28.7	Very low	26.5	Very low	209 Å²	209	155.7 Å²	155.7	91%	0.909	80%	0.796	S	S	*	*				-164.3	51.5	129.4	-101.3	167.6	-166.9	-175.5	0	111.4
380	Y	28	Very low	26.4	Very low	220 Å²	220	158.3 Å²	158.3	86%	0.863	80%	0.8	S	S	*	*			trans	-99.1	102.9	148.3	-85.8	-81.8	0	0	0	106	H382	Y380-H382 PolarHBondContact O-N 3.33Å
381	S	29.1	Very low	26.7	Very low	116 Å²	116	154.6 Å²	154.6	81%	0.811	80%	0.799	S	S	*	*			trans	-63.3	103.5	165.6	47.1	0	0	0	0	107.6	D383	S381-D383 PolarHBondContact O-N 3.17Å
382	H	27	Very low	26.7	Very low	177 Å²	177	156.6 Å²	156.6	82%	0.819	80%	0.802	S	S	*	*			trans	-57.4	104.2	156.3	-79.3	-76.7	0	0	0	107.6	Y380	Y380-H382 PolarHBondContact O-N 3.33Å
383	D	25.9	Very low	26.9	Very low	144 Å²	144	153.3 Å²	153.3	77%	0.77	81%	0.807	S	S	*	*			trans	169.8	111.1	136.3	-87.4	-20.9	0	0	0	109.3	S381	S381-D383 PolarHBondContact O-N 3.17Å
384	I	30.8	Very low	27	Very low	162 Å²	162	157.1 Å²	157.1	83%	0.831	82%	0.815	S	S	*	*				167.6	118.5	125.7	-79.4	154.2	0	0	0	107.4	S386	I384-S386 PolarHBondContact O-N 3.14Å
385	H	27.3	Very low	27	Very low	185 Å²	185	159.4 Å²	159.4	86%	0.856	82%	0.823	S	S	*	*			trans	-38.1	114	175.6	-62.9	-82.6	0	0	0	114.8
386	S	29.3	Very low	27	Very low	110 Å²	110	161.2 Å²	161.2	77%	0.769	82%	0.824	S	S	*	*			trans	-147.7	105.9	154.4	-142.2	0	0	0	0	109.7	I384 Q388	I384-S386 PolarHBondContact O-N 3.14Å; S386-Q388 PolarHBondContact O-N 2.97Å
387	P	28.1	Very low	27.1	Very low	123 Å²	123	161.7 Å²	161.7	80%	0.799	83%	0.825	S	S	*	*			trans	-90.1	78.5	-176.8	34.9	-29.8	0	0	0	109.2
388	Q	26.6	Very low	26.9	Very low	180 Å²	180	165.8 Å²	165.8	84%	0.841	83%	0.83	S	S	*	*			trans	-169.8	81	167.6	-109	164	40.6	0	0	110.7	S386	S386-Q388 PolarHBondContact O-N 2.97Å
389	L	26.3	Very low	27	Very low	164 Å²	164	160.5 Å²	160.5	86%	0.859	81%	0.811	S	S	*	*			trans	-169.9	87	150	-101.6	152.3	0	0	0	108.9	V391	L389-V391 HydrophobicContact CD2-CG2 4.48Å; L389-V391 PolarHBondContact O-N 3.12Å
390	Y	23.2	Very low	26.8	Very low	235 Å²	235	161.2 Å²	161.2	92%	0.922	81%	0.808	S	S	*	*			trans	-72.1	109.1	163.4	-104.6	-98	0	0	0	108.3
391	V	30.1	Very low	26.7	Very low	127 Å²	127	155.5 Å²	155.5	77%	0.77	80%	0.795	S	S	*	*			trans	-116.6	115.3	157.2	-179.4	0	0	0	0	107.8	L389	L389-V391 HydrophobicContact CD2-CG2 4.48Å; L389-V391 PolarHBondContact O-N 3.12Å
392	K	26.3	Very low	26.4	Very low	192 Å²	192	154 Å²	154	84%	0.835	78%	0.783	S	S	*	*			trans	-58.4	130.2	-177	-84.2	172.2	169.9	173.4	0	112	R394	K392-R394 PolarHBondContact O-N 2.8Å
393	S	25.8	Very low	26.3	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	78%	0.779	S	S	*	*			trans	-26.8	120.2	157.2	-172.4	0	0	0	0	114.9
394	R	25.7	Very low	26.5	Very low	238 Å²	238	151.7 Å²	151.7	90%	0.898	78%	0.784	S	S	*	*			trans	-149.9	120.9	146.9	-83.7	-161.4	-179	-179.7	-0.4	111.2	K392	K392-R394 PolarHBondContact O-N 2.8Å
395	M	25.2	Very low	26.4	Very low	184 Å²	184	150.1 Å²	150.1	91%	0.906	78%	0.776	S	S	*	*			trans	4.3	118.5	154.5	-58.2	-158.3	130.8	0	0	118.9
396	L	25.5	Very low	26.3	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	77%	0.766	S	S	*	*			trans	-104.7	120.6	153.2	-83.5	153.1	0	0	0	107.1
397	P	26.5	Very low	26.2	Very low	83 Å²	83	151.3 Å²	151.3	54%	0.539	77%	0.771	S	S	.	*			trans	-80.6	155.5	170.3	33.1	-29.4	0	0	0	110.3	T399	P397-T399 PolarHBondContact O-N 2.87Å; P397-T399 PolarHBondContact O-OG1 3.27Å
398	D	23.9	Very low	26.2	Very low	160 Å²	160	155.7 Å²	155.7	86%	0.856	77%	0.771	S	S	*	*			trans	-58.1	85.3	179.1	-68.5	-47.3	0	0	0	112.7
399	T	27.5	Very low	26.2	Very low	78 Å²	78	152.6 Å²	152.6	48%	0.479	77%	0.77	S	S	.	*			trans	-87.6	116.6	172.7	19.8	0	0	0	0	111.8	P397	P397-T399 PolarHBondContact O-N 2.87Å; P397-T399 PolarHBondContact O-OG1 3.27Å
400	W	25.4	Very low	26.1	Very low	225 Å²	225	149.5 Å²	149.5	85%	0.852	76%	0.76	S	S	*	*			trans	-74.1	126.8	167.9	-67.8	77.8	0	0	0	110.2
401	V	26	Very low	26.3	Very low	99 Å²	99	146.3 Å²	146.3	60%	0.6	75%	0.752	S	S	*	*			trans	-105.4	127.7	179.9	-179.8	0	0	0	0	109.5	L405	V401-L405 HydrophobicContact CG1-CB 3.77Å; V401-L405 HydrophobicContact CG1-CD1 4.24Å
402	P	23.1	Very low	26	Very low	84 Å²	84	150.8 Å²	150.8	55%	0.545	76%	0.761	S	S	.	*			trans	-63	144	175.1	-19.5	31.1	0	0	0	112.4	L404 L405	P402-L404 PolarHBondContact O-N 3.11Å; P402-L405 PolarHBondContact O-N 3.35Å
403	S	24.9	Very low	25.9	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-11.5	-170.9	49.8	0	0	0	0	116.3	L405 S406	S403-L405 VanDerWaalsContact C-N 3.26Å; S403-L405 PolarHBondContact O-N 2.77Å; S403-S406 PolarHBondContact O-OG 3.21Å
404	L	28.9	Very low	25.9	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-18.6	173	-124.8	99.2	0	0	0	113.2	P402	P402-L404 PolarHBondContact O-N 3.11Å
405	L	28.5	Very low	25.8	Very low	128 Å²	128	140.9 Å²	140.9	67%	0.67	74%	0.739	S	S	*	*	S	Bend	trans	-103.7	-2.6	-173.6	-68.2	167.6	0	0	0	113.9	V401 P402 S403 R407	V401-L405 HydrophobicContact CG1-CB 3.77Å; V401-L405 HydrophobicContact CG1-CD1 4.24Å; P402-L405 PolarHBondContact O-N 3.35Å; S403-L405 VanDerWaalsContact C-N 3.26Å; S403-L405 PolarHBondContact O-N 2.77Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 3.1Å
406	S	25.9	Very low	26	Very low	90 Å²	90	137 Å²	137	63%	0.629	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-4.6	-173.6	63.5	0	0	0	0	115.1	S403	S403-S406 PolarHBondContact O-OG 3.21Å
407	R	26.3	Very low	26	Very low	231 Å²	231	135.6 Å²	135.6	87%	0.872	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	9.4	-170.9	-79.5	-165.1	173.7	-169.5	0.4	116.9	L405	L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 3.1Å
408	R	29.2	Very low	26.1	Very low	214 Å²	214	135.1 Å²	135.1	81%	0.808	71%	0.71	S	S	*	*			trans	-121.3	101.9	177.4	-67.5	-169.3	175.8	-175.6	-0.5	111.9	C410	R408-C410 VanDerWaalsContact C-N 3.3Å; R408-C410 PolarHBondContact O-N 3.25Å
409	S	25.6	Very low	26.2	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	71%	0.707	S	S	*	*			trans	-80.9	14.9	-172.7	47.9	0	0	0	0	116
410	C	24.5	Very low	26.4	Very low	98 Å²	98	137.8 Å²	137.8	66%	0.662	71%	0.707	S	S	*	*			trans	-137.9	60.2	-168	-52.5	0	0	0	0	113.6	R408	R408-C410 VanDerWaalsContact C-N 3.3Å; R408-C410 PolarHBondContact O-N 3.25Å
411	F	27.3	Very low	26.7	Very low	169 Å²	169	129.1 Å²	129.1	74%	0.741	68%	0.683	S	S	*	*			trans	-144.2	92.7	168.4	-77.8	-75.7	0	0	0	112.2
412	F	24	Very low	27.1	Very low	221 Å²	221	129.9 Å²	129.9	97%	0.969	68%	0.681	S	S	*	*			trans	-107.6	63.6	166.6	-80.3	-81.4	0	0	0	110
413	S	25.2	Very low	27.7	Very low	83 Å²	83	128.2 Å²	128.2	58%	0.58	67%	0.667	S	S	*	*			trans	-142.1	139.2	169.2	71.9	0	0	0	0	112.2	I415	S413-I415 PolarHBondContact O-N 3.07Å
414	C	24.1	Very low	28.2	Very low	123 Å²	123	132.4 Å²	132.4	83%	0.831	68%	0.675	S	S	*	*	S	Bend	trans	-80.3	31	-168.6	-59.3	0	0	0	0	115
415	I	25.1	Very low	28.6	Very low	135 Å²	135	127 Å²	127	69%	0.692	65%	0.648	S	S	*	*			trans	-129.1	109.2	178.2	-61.6	164.8	0	0	0	106.9	S413	S413-I415 PolarHBondContact O-N 3.07Å
416	L	27.8	Very low	29.3	Very low	102 Å²	102	125.1 Å²	125.1	53%	0.534	64%	0.637	S	S	.	*			trans	-89.8	127.3	-179.7	-152.9	91.8	0	0	0	110	Y298	Y298-L416 HydrophobicContact CD1-CB 3.54Å; Y298-L416 HydrophobicContact CD1-CD2 3.8Å; Y298-L416 HydrophobicContact CD1-CG 4.21Å; Y298-L416 HydrophobicContact CD2-CD2 3.54Å; Y298-L416 HydrophobicContact CE1-CB 2.95Å; Y298-L416 HydrophobicContact CE1-CD1 4.09Å; Y298-L416 HydrophobicContact CE1-CD2 3.46Å; Y298-L416 VanDerWaalsContact CE1-CD2 3.46Å; Y298-L416 HydrophobicContact CE1-CG 3.56Å; Y298-L416 HydrophobicContact CE2-CB 4.33Å; Y298-L416 HydrophobicContact CE2-CD1 4.33Å; Y298-L416 HydrophobicContact CE2-CD2 3.1Å; Y298-L416 HydrophobicContact CE2-CG 4.02Å; Y298-L416 HydrophobicContact CG-CB 4.47Å; Y298-L416 HydrophobicContact CG-CD2 3.87Å; Y298-L416 VanDerWaalsContact CZ-CG 3.41Å; Y298-L416 WeakPolarHBondContact OH-CD1 3.46Å; Y298-L416 WeakPolarHBondContact OH-CD2 3.48Å; Y298-L416 WeakPolarHBondContact OH-CG 3.42Å
417	L	25.7	Very low	30.6	Very low	135 Å²	135	125.3 Å²	125.3	71%	0.707	62%	0.624	S	S	*	*			trans	-90.3	129	172.9	-80.3	150.9	0	0	0	109.9
418	T	28.6	Very low	31.9	Very low	73 Å²	73	115.5 Å²	115.5	45%	0.448	59%	0.593	S	S	.	*			trans	28.7	115	145.3	-8.3	0	0	0	0	118.7	L420	T418-L420 PolarHBondContact O-N 2.85Å
419	Y	27	Very low	33.4	Very low	204 Å²	204	105.9 Å²	105.9	80%	0.8	56%	0.558	S	S	*	*			trans	-78.5	101.4	164.6	-165.6	-108.9	0	0	0	109.5	A421	Y419-A421 HydrophobicContact CD1-CB 3.97Å; Y419-A421 HydrophobicContact CE1-CB 3.64Å; Y419-A421 PolarHBondContact O-N 2.83Å
420	L	30.5	Very low	35.1	Very low	90 Å²	90	104.4 Å²	104.4	47%	0.471	54%	0.535	S	S	.	.			trans	-76.9	96.3	154.9	-101.8	134.6	0	0	0	106.9	Y307 T418 M422	Y307-L420 HydrophobicContact CD2-CD1 3.62Å; Y307-L420 HydrophobicContact CD2-CD2 4.2Å; Y307-L420 HydrophobicContact CD2-CG 4.21Å; Y307-L420 HydrophobicContact CE2-CD1 3.58Å; Y307-L420 HydrophobicContact CG-CD1 4.39Å; Y307-L420 HydrophobicContact CG-CD2 4.45Å; T418-L420 PolarHBondContact O-N 2.85Å; L420-M422 HydrophobicContact CB-CG 4.24Å; L420-M422 HydrophobicContact CD2-CG 3.41Å; L420-M422 VanDerWaalsContact CD2-CG 3.41Å; L420-M422 HydrophobicContact CD2-SD 4.14Å; L420-M422 HydrophobicContact CG-CG 4.43Å; L420-M422 PolarHBondContact O-N 2.83Å
421	A	32.7	Very low	37	Very low	42 Å²	42	99.8 Å²	99.8	35%	0.347	50%	0.504	S	S	.	.			trans	-73.6	80.8	149	0	0	0	0	0	106.3	Y419 L423	Y419-A421 HydrophobicContact CD1-CB 3.97Å; Y419-A421 HydrophobicContact CE1-CB 3.64Å; Y419-A421 PolarHBondContact O-N 2.83Å; A421-L423 PolarHBondContact O-N 2.74Å
422	M	34	Very low	38.9	Very low	116 Å²	116	93.8 Å²	93.8	57%	0.571	48%	0.478	S	S	*	.			trans	-62.4	99.6	152.2	-60.6	-169.9	-30.8	0	0	104.2	L420	L420-M422 HydrophobicContact CB-CG 4.24Å; L420-M422 HydrophobicContact CD2-CG 3.41Å; L420-M422 VanDerWaalsContact CD2-CG 3.41Å; L420-M422 HydrophobicContact CD2-SD 4.14Å; L420-M422 HydrophobicContact CG-CG 4.43Å; L420-M422 PolarHBondContact O-N 2.83Å
423	L	36.7	Very low	40.9	Very low	48 Å²	48	84.5 Å²	84.5	25%	0.251	44%	0.437	S	S	.	.			trans	-48.8	144.3	158	-64.1	164.8	0	0	0	105.2	A421 D425 T631	A421-L423 PolarHBondContact O-N 2.74Å; L423-D425 CarbonylContact O-C 3.59Å; L423-D425 PolarHBondContact O-N 3.37Å; L423-D425 VanDerWaalsContact O-O 3.05Å; L423-T631 WeakPolarHBondContact CD2-O 3.39Å
424	Q	35.6	Very low	42.9	Very low	193 Å²	193	81.3 Å²	81.3	90%	0.902	41%	0.414	S	S	*	.	S	Bend	trans	-59.6	10.1	-159.7	-68.3	174.1	-32.9	0	0	116.3
425	D	36	Very low	45.2	Very low	56 Å²	56	75.5 Å²	75.5	30%	0.299	38%	0.375	S	S	.	.	S	Bend	trans	-124.6	122.5	173.7	-138.5	-23.5	0	0	0	109.6	L423 R427 R634	L423-D425 CarbonylContact O-C 3.59Å; L423-D425 PolarHBondContact O-N 3.37Å; L423-D425 VanDerWaalsContact O-O 3.05Å; D425-R427 PolarHBondContact O-N 3.23Å; D425-R634 WeakPolarHBondContact OD2-CD 3.05Å; D425-R634 IonicContact OD2-NE 3.32Å; D425-R634 PolarHBondContact OD2-NE 2.9Å
426	I	44.1	Very low	47.6	Very low	88 Å²	88	69.3 Å²	69.3	45%	0.451	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	9.1	-167.7	-52.8	160.1	0	0	0	113.2	W314	W314-I426 HydrophobicContact CZ2-CG2 4.43Å
427	R	52.9	Low	50	Low	95 Å²	95	64.5 Å²	64.5	36%	0.358	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	25.4	-167.9	-65.2	177.8	-174.5	-101.5	0.6	113	D425 D565 L567	D425-R427 PolarHBondContact O-N 3.23Å; R427-D565 HydrophobicContact CB-CB 4.21Å; R427-D565 PolarHBondContact O-N 2.84Å; R427-L567 VanDerWaalsContact CZ-CD1 3.41Å
428	A	53.1	Low	52.4	Low	25 Å²	25	62.5 Å²	62.5	21%	0.207	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.6	174.2	0	0	0	0	0	111.3	V563 F564	A428-V563 CarbonylContact C-O 3.54Å; A428-V563 WeakPolarHBondContact CA-O 3.16Å; A428-V563 WeakPolarHBondContact CB-O 3.47Å; A428-F564 HydrophobicContact CB-CD1 3.77Å; A428-F564 HydrophobicContact CB-CE1 3.95Å
429	S	60.1	Low	54.2	Low	12 Å²	12	61.7 Å²	61.7	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146	171.5	71.8	0	0	0	0	110.4	Y307 H517 V562 V563	Y307-S429 WeakPolarHBondContact O-CB 3.16Å; S429-H517 PolarHBondContact OG-CE1 2.88Å; S429-H517 PolarHBondContact OG-NE2 3.43Å; S429-V562 CarbonylContact O-C 3.42Å; S429-V562 WeakPolarHBondContact O-CA 3.33Å; S429-V563 PolarHBondContact N-O 3.5Å; S429-V563 PolarHBondContact O-N 3.06Å; S429-V563 WeakPolarHBondContact OG-CB 2.92Å
430	Y	61.7	Low	55.5	Low	84 Å²	84	54.5 Å²	54.5	33%	0.329	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.1	179.3	174.2	-101	0	0	0	110	H432 E560 E561 V562	Y430-H432 HydrophobicContact CE1-CB 3.95Å; Y430-E560 HydrophobicContact CE2-CB 4.15Å; Y430-E560 HydrophobicContact CE2-CG 4.35Å; Y430-E561 WeakPolarHBondContact CA-O 3.05Å; Y430-V562 HydrophobicContact CD2-CG2 3.81Å; Y430-V562 HydrophobicContact CE2-CG2 4.38Å
431	L	65.8	Low	56.2	Low	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.8	179	-176.5	59.5	0	0	0	110	T304 H517 E560 E561	T304-L431 HydrophobicContact CG2-CD1 3.87Å; T304-L431 WeakPolarHBondContact OG1-CD1 3.49Å; L431-H517 HydrophobicContact CD2-CB 3.79Å; L431-E560 CarbonylContact O-C 3.58Å; L431-E560 WeakPolarHBondContact O-CA 3.44Å; L431-E561 HydrophobicContact CB-CB 4.33Å; L431-E561 PolarHBondContact N-O 2.74Å; L431-E561 PolarHBondContact O-N 3.39Å
432	H	66.6	Low	56.4	Low	44 Å²	44	59.5 Å²	59.5	20%	0.204	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.1	175.3	169.8	-100	0	0	0	110.9	P282 Y430 T434 L559	P282-H432 WeakPolarHBondContact CD-NE2 3.3Å; P282-H432 VanDerWaalsContact CG-CD2 3.44Å; P282-H432 WeakPolarHBondContact CG-CD2 3.5Å; P282-H432 WeakPolarHBondContact CG-NE2 3.29Å; Y430-H432 HydrophobicContact CE1-CB 3.95Å; H432-T434 PolarHBondContact CE1-OG1 2.87Å; H432-L559 CarbonylContact C-O 3.6Å; H432-L559 VanDerWaalsContact CA-O 3.25Å; H432-L559 WeakPolarHBondContact CA-O 3.34Å; H432-L559 PolarHBondContact CD2-O 3.01Å
433	W	65.5	Low	56.7	Low	25 Å²	25	56.7 Å²	56.7	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.7	176.4	-69.7	90.4	0	0	0	111.2	L435 L512 F520 E527 H558 L559	W433-L435 HydrophobicContact CB-CG 4.49Å; W433-L435 HydrophobicContact CE3-CD2 4.42Å; W433-L512 HydrophobicContact CH2-CB 4.23Å; W433-L512 HydrophobicContact CH2-CD1 4.3Å; W433-L512 HydrophobicContact CZ2-CB 4.44Å; W433-F520 AromaticContact CD1-CZ 3.53Å; W433-F520 HydrophobicContact CD2-CE2 4.2Å; W433-F520 HydrophobicContact CD2-CZ 4.06Å; W433-F520 AromaticContact CE2-CZ 3.76Å; W433-F520 HydrophobicContact CG-CE2 4.36Å; W433-F520 AromaticContact CG-CZ 3.94Å; W433-F520 HydrophobicContact CG-CZ 3.94Å; W433-F520 HydrophobicContact CZ2-CZ 4.44Å; W433-F520 AromaticContact NE1-CZ 3.41Å; W433-E527 HydrophobicContact CE3-CG 4.39Å; W433-E527 HydrophobicContact CZ3-CG 4.23Å; W433-H558 CarbonylContact O-C 3.56Å; W433-H558 WeakPolarHBondContact O-CA 3.13Å; W433-L559 HydrophobicContact CB-CB 4.34Å; W433-L559 HydrophobicContact CB-CD1 4.35Å; W433-L559 PolarHBondContact N-O 3.07Å; W433-L559 PolarHBondContact O-N 2.72Å
434	T	68.3	Low	56.4	Low	17 Å²	17	59.4 Å²	59.4	10%	0.104	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111	164.3	-61.4	0	0	0	0	108.4	H432 Y528 F556 A557 H558	H432-T434 PolarHBondContact CE1-OG1 2.87Å; T434-Y528 HydrophobicContact CG2-CD1 4.23Å; T434-Y528 HydrophobicContact CG2-CG 4.37Å; T434-Y528 WeakPolarHBondContact O-CB 3.29Å; T434-Y528 PolarHBondContact O-N 3.17Å; T434-F556 HydrophobicContact CG2-CD1 4.41Å; T434-A557 WeakPolarHBondContact CA-O 3.26Å; T434-H558 PolarHBondContact OG1-ND1 2.85Å; T434-H558 VanDerWaalsContact OG1-ND1 3.12Å
435	L	71.2	Confident	56.1	Low	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.2	178.1	-53.7	178.3	0	0	0	109	L167 W433 L522 W525 E526 F556 A557 L559	L167-L435 HydrophobicContact CD1-CD1 3.77Å; L167-L435 HydrophobicContact CD2-CD1 4.05Å; W433-L435 HydrophobicContact CB-CG 4.49Å; W433-L435 HydrophobicContact CE3-CD2 4.42Å; L435-L522 HydrophobicContact CD1-CD2 3.86Å; L435-L522 HydrophobicContact CD2-CD2 4Å; L435-W525 HydrophobicContact CB-CB 4.42Å; L435-W525 HydrophobicContact CB-CE3 3.92Å; L435-W525 HydrophobicContact CD1-CB 4.39Å; L435-E526 CarbonylContact C-O 3.55Å; L435-E526 WeakPolarHBondContact CA-O 3.18Å; L435-F556 CarbonylContact O-C 3.56Å; L435-F556 WeakPolarHBondContact O-CA 3.39Å; L435-A557 HydrophobicContact CB-CB 4.36Å; L435-A557 PolarHBondContact N-O 3.41Å; L435-A557 PolarHBondContact O-N 3.38Å; L435-L559 HydrophobicContact CD1-CD1 3.75Å; L435-L559 HydrophobicContact CG-CD1 4.11Å
436	V	75	Confident	55.9	Low	5 Å²	5	58.2 Å²	58.2	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	171.6	63.7	0	0	0	0	109	E526 Y528 R554 V555 F556	V436-E526 HydrophobicContact CG1-CG 3.46Å; V436-E526 VanDerWaalsContact CG1-CG 3.46Å; V436-E526 PolarHBondContact N-O 3.32Å; V436-E526 PolarHBondContact O-N 3.07Å; V436-Y528 HydrophobicContact CG1-CD2 4.38Å; V436-R554 HydrophobicContact CG2-CB 4.01Å; V436-V555 WeakPolarHBondContact CA-O 3.38Å; V436-F556 HydrophobicContact CB-CD1 3.77Å; V436-F556 HydrophobicContact CB-CE1 3.71Å; V436-F556 HydrophobicContact CG2-CD1 3.89Å; V436-F556 HydrophobicContact CG2-CE1 3.57Å; V436-F556 HydrophobicContact CG2-CZ 3.99Å
437	S	79.6	Confident	55.5	Low	1 Å²	1	59.4 Å²	59.4	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.6	178.9	66.2	0	0	0	0	111.3	H165 R554 V555	H165-S437 WeakPolarHBondContact NE2-CB 3.49Å; H165-S437 PolarHBondContact NE2-OG 2.87Å; S437-R554 VanDerWaalsContact O-CD 3.24Å; S437-R554 WeakPolarHBondContact O-CD 3.47Å; S437-R554 PolarHBondContact O-NH1 2.86Å; S437-V555 PolarHBondContact N-O 3.3Å; S437-V555 PolarHBondContact OG-N 3.44Å; S437-V555 VanDerWaalsContact OG-N 3.12Å
438	R	76.5	Confident	54.5	Low	92 Å²	92	60.5 Å²	60.5	35%	0.347	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70.4	147	174	-67.8	-178	-177	-160.5	-4.3	109.8	T440 L522 T523 E524 W525 E526	R438-T440 PolarHBondContact O-N 3.19Å; R438-L522 PolarHBondContact NE-O 2.92Å; R438-L522 PolarHBondContact NH2-O 2.9Å; R438-T523 WeakPolarHBondContact CD-O 3.39Å; R438-E524 PolarHBondContact N-O 2.83Å; R438-W525 PolarHBondContact NE-O 2.85Å; R438-E526 HydrophobicContact CG-CB 4.31Å; R438-E526 HydrophobicContact CG-CG 4.39Å
439	N	64.6	Low	53.5	Low	56 Å²	56	61.8 Å²	61.8	30%	0.299	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-70.2	123.7	178.6	-164.8	-29.8	0	0	0	110.6	S441 K442	N439-S441 PolarHBondContact O-N 2.81Å; N439-S441 PolarHBondContact OD1-N 2.98Å; N439-S441 PolarHBondContact OD1-OG 2.9Å; N439-K442 PolarHBondContact O-N 3.49Å
440	T	55.7	Low	52.2	Low	53 Å²	53	67 Å²	67	33%	0.325	36%	0.357	S	S	.	.	H	α-helix	trans	-56.9	-31.6	-178.1	49.4	0	0	0	0	113.2	R438 K442 M443 E444	R438-T440 PolarHBondContact O-N 3.19Å; T440-K442 PolarHBondContact O-N 3.08Å; T440-M443 PolarHBondContact O-N 3.19Å; T440-E444 PolarHBondContact O-N 3.26Å
441	S	43.9	Very low	50.5	Low	76 Å²	76	68.2 Å²	68.2	53%	0.531	37%	0.37	S	S	.	.	H	α-helix	trans	-59.6	-26	175.8	54.4	0	0	0	0	114.6	N439	N439-S441 PolarHBondContact O-N 2.81Å; N439-S441 PolarHBondContact OD1-N 2.98Å; N439-S441 PolarHBondContact OD1-OG 2.9Å
442	K	38	Very low	48.8	Very low	161 Å²	161	75.1 Å²	75.1	70%	0.7	41%	0.406	S	S	*	.	H	α-helix	trans	-81.1	-31	173.3	-83.2	-173.7	171.6	-172	0	112.6	N439 T440 C445	N439-K442 PolarHBondContact O-N 3.49Å; T440-K442 PolarHBondContact O-N 3.08Å; K442-C445 PolarHBondContact O-N 3.36Å
443	M	39.1	Very low	46.7	Very low	58 Å²	58	81.6 Å²	81.6	29%	0.286	43%	0.429	S	S	.	.	H	α-helix	trans	-70.5	-36.9	-179	-102.4	-167.7	158.5	0	0	112.4	T440 C445 L446 I447 T523 E524	T440-M443 PolarHBondContact O-N 3.19Å; M443-C445 PolarHBondContact O-N 3.25Å; M443-L446 PolarHBondContact O-N 2.8Å; M443-I447 HydrophobicContact CB-CD1 4.43Å; M443-I447 WeakPolarHBondContact O-CG1 3.28Å; M443-I447 PolarHBondContact O-N 3.3Å; M443-T523 HydrophobicContact CE-CG2 3.9Å; M443-E524 HydrophobicContact CE-CG 4.04Å
444	E	32.1	Very low	44.7	Very low	104 Å²	104	89 Å²	89	49%	0.486	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-26	176.8	-71.2	-172.5	154.4	0	0	113.1	T440 N448	T440-E444 PolarHBondContact O-N 3.26Å; E444-N448 WeakPolarHBondContact O-CB 3.4Å; E444-N448 PolarHBondContact O-N 3.17Å; E444-N448 PolarHBondContact O-ND2 3.2Å
445	C	29.6	Very low	42.6	Very low	104 Å²	104	92.7 Å²	92.7	70%	0.703	48%	0.482	S	S	*	.	H	α-helix	trans	-72.6	-32	174.7	-146.9	0	0	0	0	112.4	K442 M443	K442-C445 PolarHBondContact O-N 3.36Å; M443-C445 PolarHBondContact O-N 3.25Å
446	L	31.1	Very low	40.4	Very low	121 Å²	121	99.4 Å²	99.4	63%	0.634	52%	0.516	S	S	*	.	H	α-helix	trans	-80.5	-29.3	176.5	-90.1	140.7	0	0	0	113	M443 S449	M443-L446 PolarHBondContact O-N 2.8Å; L446-S449 PolarHBondContact O-OG 3.29Å
447	I	36.1	Very low	37.9	Very low	112 Å²	112	107.8 Å²	107.8	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-83.4	-29	-178.4	-62.3	164.7	0	0	0	111.4	M443 S449	M443-I447 HydrophobicContact CB-CD1 4.43Å; M443-I447 WeakPolarHBondContact O-CG1 3.28Å; M443-I447 PolarHBondContact O-N 3.3Å; I447-S449 VanDerWaalsContact C-N 3.33Å
448	N	31.4	Very low	35.2	Very low	118 Å²	118	113.6 Å²	113.6	63%	0.631	58%	0.576	S	S	*	*	S	Bend	trans	-81.1	-8.8	175.6	-77.2	-25.3	0	0	0	114.1	E444 S450	E444-N448 WeakPolarHBondContact O-CB 3.4Å; E444-N448 PolarHBondContact O-N 3.17Å; E444-N448 PolarHBondContact O-ND2 3.2Å; N448-S450 PolarHBondContact O-N 3.29Å
449	S	30.9	Very low	32.8	Very low	53 Å²	53	116.6 Å²	116.6	37%	0.371	60%	0.599	S	S	.	*	S	Bend	trans	-76.8	108.6	157	53.8	0	0	0	0	107.7	L446 I447 D451	L446-S449 PolarHBondContact O-OG 3.29Å; I447-S449 VanDerWaalsContact C-N 3.33Å; S449-D451 PolarHBondContact O-N 3.02Å
450	S	32.9	Very low	30.9	Very low	120 Å²	120	120 Å²	120	84%	0.839	62%	0.617	S	S	*	*	S	Bend	trans	-61.1	22.5	167.1	43.8	0	0	0	0	114.2	N448	N448-S450 PolarHBondContact O-N 3.29Å
451	D	27.1	Very low	29.6	Very low	110 Å²	110	125 Å²	125	59%	0.588	64%	0.641	S	S	*	*			trans	-120.2	51.1	176.4	-80.7	-39.6	0	0	0	110.5	S449 R453	S449-D451 PolarHBondContact O-N 3.02Å; D451-R453 PolarHBondContact O-N 3.25Å
452	L	29.4	Very low	28.8	Very low	146 Å²	146	128.9 Å²	128.9	76%	0.764	66%	0.661	S	S	*	*			trans	-72.8	54.8	141.1	-87	160.5	0	0	0	108.6	Y454	L452-Y454 PolarHBondContact O-N 2.59Å
453	R	23	Very low	28.3	Very low	181 Å²	181	123.6 Å²	123.6	68%	0.683	65%	0.652	S	S	*	*			trans	-71.9	111.9	141.9	-74.7	-166.1	-169.5	-161.2	3.6	103.4	D451	D451-R453 PolarHBondContact O-N 3.25Å
454	Y	23.3	Very low	27.9	Very low	181 Å²	181	129 Å²	129	71%	0.71	68%	0.682	S	S	*	*			trans	-41.5	132.6	143.6	-82.9	-93.4	0	0	0	106.2	L452 I456	L452-Y454 PolarHBondContact O-N 2.59Å; Y454-I456 PolarHBondContact O-N 2.81Å
455	P	24.9	Very low	27.9	Very low	94 Å²	94	133.4 Å²	133.4	61%	0.61	70%	0.695	S	S	*	*			trans	-66	79.2	163.5	30.3	-30.4	0	0	0	105.7	Y457	P455-Y457 PolarHBondContact O-N 3.01Å
456	I	23.5	Very low	27.8	Very low	141 Å²	141	135.5 Å²	135.5	72%	0.723	70%	0.7	S	S	*	*			trans	-58.5	98.9	140.7	-59.1	174.1	0	0	0	100.9	Y454 Q458	Y454-I456 PolarHBondContact O-N 2.81Å; I456-Q458 PolarHBondContact O-N 3.21Å
457	Y	23.2	Very low	28	Very low	182 Å²	182	135 Å²	135	71%	0.714	71%	0.706	S	S	*	*			trans	-52.2	95.1	158.8	-82.5	-86.8	0	0	0	105	P455 N459	P455-Y457 PolarHBondContact O-N 3.01Å; Y457-N459 VanDerWaalsContact C-N 3.3Å; Y457-N459 PolarHBondContact O-N 3.04Å
458	Q	24.1	Very low	27.6	Very low	122 Å²	122	136.5 Å²	136.5	57%	0.57	72%	0.716	S	S	*	*			trans	-53.4	112.4	148.3	-88.2	177.6	-66.8	0	0	103.2	I456 D460	I456-Q458 PolarHBondContact O-N 3.21Å; Q458-D460 PolarHBondContact O-N 2.82Å
459	N	24.4	Very low	27.7	Very low	156 Å²	156	138 Å²	138	83%	0.834	72%	0.723	S	S	*	*			trans	-58.2	77.8	156.9	-82.5	-28.5	0	0	0	106.5	Y457 L461	Y457-N459 VanDerWaalsContact C-N 3.3Å; Y457-N459 PolarHBondContact O-N 3.04Å; N459-L461 PolarHBondContact O-N 3.42Å
460	D	25.6	Very low	27.5	Very low	126 Å²	126	143 Å²	143	67%	0.674	75%	0.746	S	S	*	*			trans	-72.7	94	162.7	-79.4	-19.9	0	0	0	105.3	Q458 V462	Q458-D460 PolarHBondContact O-N 2.82Å; D460-V462 PolarHBondContact O-N 2.98Å
461	L	27.9	Very low	27.4	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	74%	0.742	S	S	*	*			trans	9.9	108.3	137	-78.4	143.6	0	0	0	113.2	N459 G463	N459-L461 PolarHBondContact O-N 3.42Å; L461-G463 PolarHBondContact O-N 3.21Å
462	V	26.9	Very low	27.3	Very low	157 Å²	157	142.8 Å²	142.8	95%	0.952	75%	0.752	S	S	*	*	S	Bend	trans	-44.8	114.9	159.9	176.2	0	0	0	0	108.5	D460	D460-V462 PolarHBondContact O-N 2.98Å
463	G	27.6	Very low	27.4	Very low	49 Å²	49	142.6 Å²	142.6	51%	0.505	75%	0.752	S	S	.	*			trans	-176.7	64.5	-179.8	0	0	0	0	0	111.4	L461	L461-G463 PolarHBondContact O-N 3.21Å
464	D	31.2	Very low	27.7	Very low	171 Å²	171	139.1 Å²	139.1	91%	0.914	76%	0.756	S	S	*	*			trans	-78.1	136.6	159.4	-111.5	-18.7	0	0	0	109.8
465	Y	31.2	Very low	28	Very low	197 Å²	197	135.1 Å²	135.1	77%	0.773	75%	0.754	S	S	*	*			trans	-83.6	149.2	-160.7	-74.7	-98.8	0	0	0	114.8
466	D	28.6	Very low	28.4	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	76%	0.761	S	S	*	*			trans	57	104.2	144.7	-64.8	-24.4	0	0	0	120.1
467	S	34.4	Very low	28.6	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	76%	0.759	S	S	*	*				-144.9	102.5	127.8	58.7	0	0	0	0	110.8
468	D	28.3	Very low	29.1	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	76%	0.759	S	S	*	*			trans	61.2	126.2	137.1	-67.1	-28.4	0	0	0	122.2
469	L	32.7	Very low	29.2	Very low	148 Å²	148	131 Å²	131	78%	0.775	77%	0.767	S	S	*	*			trans	89.6	105.3	141.3	-66.7	155.9	0	0	0	120
470	N	27.3	Very low	29.6	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	77%	0.77	S	S	*	*				35.1	115	128.7	-79.2	-20.8	0	0	0	119
471	G	30.2	Very low	29.7	Very low	75 Å²	75	133.8 Å²	133.8	77%	0.773	78%	0.775	S	S	*	*			trans	162.7	91.6	153.1	0	0	0	0	0	116.5
472	N	26.1	Very low	29.6	Very low	149 Å²	149	130.9 Å²	130.9	80%	0.797	77%	0.769	S	S	*	*			trans	9.2	121.5	142.4	-68.7	-12.3	0	0	0	118.9
473	N	31	Very low	29.6	Very low	143 Å²	143	128 Å²	128	77%	0.765	76%	0.755	S	S	*	*				150.5	128.5	111.6	-81.3	-31.8	0	0	0	113.6
474	S	30.3	Very low	29.6	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	77%	0.768	S	S	*	*			trans	61.8	142.8	139.6	67.6	0	0	0	0	119.5
475	S	28.6	Very low	29.6	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	77%	0.767	S	S	*	*			cis	171.3	163.7	-10.8	45.6	0	0	0	0	106.6
476	I	32.9	Very low	29.5	Very low	146 Å²	146	130.8 Å²	130.8	75%	0.749	77%	0.772	S	S	*	*			trans	92.6	99.3	158.7	-57.4	163.3	0	0	0	115
477	S	28.8	Very low	29.4	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	78%	0.775	S	S	*	*				65.6	119.3	74.6	72.9	0	0	0	0	114.5
478	S	33.2	Very low	29.2	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	78%	0.776	S	S	*	*				169.1	122.7	79.2	41.2	0	0	0	0	108.5
479	S	26	Very low	29.1	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	78%	0.783	S	S	*	*				52.6	118.2	105.5	68.1	0	0	0	0	118.6
480	H	32.1	Very low	28.8	Very low	194 Å²	194	128.2 Å²	128.2	90%	0.898	78%	0.775	S	S	*	*			trans	-157.7	142.6	132.2	-108.5	-67.4	0	0	0	113
481	D	27.5	Very low	28.7	Very low	147 Å²	147	128 Å²	128	79%	0.786	77%	0.772	S	S	*	*			trans	-80.8	158.9	-169.4	-87.4	-47.1	0	0	0	116.9
482	S	26.3	Very low	28.4	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	77%	0.772	S	S	*	*			trans	72.8	127.7	133.4	70.7	0	0	0	0	124.8
483	S	26.6	Very low	28.3	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	78%	0.779	S	S	*	*				86.5	130.2	127.2	69.1	0	0	0	0	122.1
484	D	27.5	Very low	28	Very low	145 Å²	145	127.7 Å²	127.7	78%	0.775	76%	0.763	S	S	*	*			trans	67.9	111.1	148.2	-56.1	-17.4	0	0	0	119.1
485	D	31.5	Very low	28	Very low	166 Å²	166	127.4 Å²	127.4	89%	0.888	76%	0.758	S	S	*	*				-169.6	92.8	128.2	-86.3	-24.4	0	0	0	109.6
486	D	29.5	Very low	27.9	Very low	165 Å²	165	129.2 Å²	129.2	88%	0.882	76%	0.76	S	S	*	*			trans	-69.9	116.2	150.6	-96.1	-35.2	0	0	0	107.2
487	E	26.4	Very low	27.7	Very low	183 Å²	183	126.2 Å²	126.2	86%	0.855	75%	0.753	S	S	*	*			trans	151.8	73.4	156	-88.6	-174	172.1	0	0	110.8
488	T	29.5	Very low	27.8	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	76%	0.758	S	S	*	*			trans	-164.6	35.4	157	4.8	0	0	0	0	114	A490	T488-A490 VanDerWaalsContact C-N 3.25Å; T488-A490 PolarHBondContact O-N 2.76Å
489	A	27	Very low	27.8	Very low	113 Å²	113	129.1 Å²	129.1	93%	0.934	75%	0.752	S	S	*	*	S	Bend	trans	-91.4	50.5	169.1	0	0	0	0	0	111.6
490	A	26.9	Very low	28.1	Very low	73 Å²	73	129.4 Å²	129.4	60%	0.603	75%	0.753	S	S	*	*	S	Bend	trans	-163.3	131.1	165.7	0	0	0	0	0	105.7	T488	T488-A490 VanDerWaalsContact C-N 3.25Å; T488-A490 PolarHBondContact O-N 2.76Å
491	I	24.1	Very low	28.5	Very low	156 Å²	156	126 Å²	126	80%	0.8	74%	0.741	S	S	*	*	S	Bend	trans	115.3	120.5	-177	-59.3	153.8	0	0	0	110.1
492	L	24.2	Very low	28.7	Very low	146 Å²	146	120.9 Å²	120.9	76%	0.764	72%	0.718	S	S	*	*			trans	96.9	53.6	177.5	-49.7	175.3	0	0	0	117.7	S494	L492-S494 VanDerWaalsContact C-N 3.28Å
493	T	24.8	Very low	29.1	Very low	155 Å²	155	118 Å²	118	95%	0.951	70%	0.697	S	S	*	*			trans	-90.5	75	139	50.5	0	0	0	0	108.2
494	S	24.7	Very low	29.4	Very low	59 Å²	59	117.9 Å²	117.9	41%	0.413	69%	0.694	S	S	.	*			trans	-95.6	148.8	160.3	-160.8	0	0	0	0	106.8	L492 D496	L492-S494 VanDerWaalsContact C-N 3.28Å; S494-D496 PolarHBondContact O-N 3.34Å
495	P	30	Very low	29.8	Very low	102 Å²	102	116 Å²	116	66%	0.662	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	11.5	-178.6	1.9	11.1	0	0	0	114.6
496	D	27	Very low	30.1	Very low	134 Å²	134	112 Å²	112	72%	0.717	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	2.1	-177.2	-64.7	-41.3	0	0	0	113.8	S494 L498	S494-D496 PolarHBondContact O-N 3.34Å; D496-L498 PolarHBondContact O-N 3.46Å
497	S	28.7	Very low	30.2	Very low	84 Å²	84	107.3 Å²	107.3	59%	0.587	63%	0.634	S	S	*	*			trans	-75	95.5	169.2	64.4	0	0	0	0	109.3	D499	S497-D499 VanDerWaalsContact C-N 3.32Å; S497-D499 PolarHBondContact O-N 2.65Å
498	L	30.5	Very low	30.5	Very low	152 Å²	152	103 Å²	103	80%	0.796	62%	0.617	S	S	*	*			trans	-49.5	90.2	167.2	-80.7	147.8	0	0	0	110.8	D496 S500	D496-L498 PolarHBondContact O-N 3.46Å; L498-S500 VanDerWaalsContact C-N 3.33Å; L498-S500 PolarHBondContact O-N 3.38Å
499	D	33.1	Very low	30.8	Very low	111 Å²	111	97.8 Å²	97.8	59%	0.594	58%	0.584	S	S	*	*			trans	-70.3	94.9	160.5	-91.1	-27	0	0	0	107.6	S497 N501 S502	S497-D499 VanDerWaalsContact C-N 3.32Å; S497-D499 PolarHBondContact O-N 2.65Å; D499-N501 PolarHBondContact O-N 3.29Å; D499-S502 PolarHBondContact O-N 3.29Å; D499-S502 PolarHBondContact O-OG 2.82Å; D499-S502 VanDerWaalsContact O-OG 3.13Å
500	S	32.9	Very low	31.2	Very low	109 Å²	109	97.7 Å²	97.7	76%	0.762	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	9.2	175.1	35.7	0	0	0	0	114.3	L498	L498-S500 VanDerWaalsContact C-N 3.33Å; L498-S500 PolarHBondContact O-N 3.38Å
501	N	39.1	Very low	31.5	Very low	122 Å²	122	103.1 Å²	103.1	65%	0.652	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-5.6	-178.4	-67.3	-24.9	0	0	0	114.2	D499	D499-N501 PolarHBondContact O-N 3.29Å
502	S	33	Very low	32	Very low	41 Å²	41	96.9 Å²	96.9	29%	0.287	54%	0.537	S	S	.	.	S	Bend	trans	-78.7	138.3	176.6	54.1	0	0	0	0	110.9	D499 L507	D499-S502 PolarHBondContact O-N 3.29Å; D499-S502 PolarHBondContact O-OG 2.82Å; D499-S502 VanDerWaalsContact O-OG 3.13Å; S502-L507 WeakPolarHBondContact OG-CG 3.37Å
503	S	34.7	Very low	32.9	Very low	39 Å²	39	90.3 Å²	90.3	27%	0.273	50%	0.504	S	S	.	.			trans	-60.1	153.7	177.1	101.3	0	0	0	0	110.1	E505 D506 L507	S503-E505 WeakPolarHBondContact CB-OE2 3.45Å; S503-E505 PolarHBondContact O-N 2.79Å; S503-E505 VanDerWaalsContact O-N 3.12Å; S503-E505 WeakPolarHBondContact OG-CB 3.28Å; S503-E505 PolarHBondContact OG-N 3.41Å; S503-E505 VanDerWaalsContact OG-N 3.13Å; S503-E505 PolarHBondContact OG-OE2 2.93Å; S503-D506 PolarHBondContact N-OD2 3.46Å; S503-D506 WeakPolarHBondContact O-CB 3.18Å; S503-D506 PolarHBondContact O-N 2.64Å; S503-D506 PolarHBondContact OG-N 2.88Å; S503-L507 PolarHBondContact O-N 2.94Å
504	P	32.3	Very low	33.7	Very low	92 Å²	92	83.8 Å²	83.8	60%	0.597	47%	0.467	S	S	*	.	H	α-helix	trans	-58.1	-24.2	175.2	21.6	-30.9	0	0	0	112.7	L508	P504-L508 WeakPolarHBondContact O-CB 2.98Å; P504-L508 WeakPolarHBondContact O-CD1 3.39Å; P504-L508 WeakPolarHBondContact O-CG 3.06Å; P504-L508 PolarHBondContact O-N 2.64Å
505	E	36.6	Very low	35	Very low	107 Å²	107	87.3 Å²	87.3	50%	0.5	48%	0.477	S	S	.	.	H	α-helix	trans	-71.3	-40.2	171.4	-59.3	98.1	-179.6	0	0	112.6	S503 L508 V509	S503-E505 WeakPolarHBondContact CB-OE2 3.45Å; S503-E505 PolarHBondContact O-N 2.79Å; S503-E505 VanDerWaalsContact O-N 3.12Å; S503-E505 WeakPolarHBondContact OG-CB 3.28Å; S503-E505 PolarHBondContact OG-N 3.41Å; S503-E505 VanDerWaalsContact OG-N 3.13Å; S503-E505 PolarHBondContact OG-OE2 2.93Å; E505-L508 WeakPolarHBondContact O-CB 2.99Å; E505-L508 PolarHBondContact O-N 2.8Å; E505-V509 WeakPolarHBondContact O-CG2 3.44Å; E505-V509 PolarHBondContact O-N 3.29Å
506	D	36.8	Very low	36.3	Very low	82 Å²	82	82.7 Å²	82.7	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-40.5	175.7	-67.8	-29.9	0	0	0	111.5	S503 L508 V509 H510	S503-D506 PolarHBondContact N-OD2 3.46Å; S503-D506 WeakPolarHBondContact O-CB 3.18Å; S503-D506 PolarHBondContact O-N 2.64Å; S503-D506 PolarHBondContact OG-N 2.88Å; D506-L508 VanDerWaalsContact C-N 3.32Å; D506-L508 PolarHBondContact O-N 3.2Å; D506-V509 PolarHBondContact O-N 3.46Å; D506-H510 PolarHBondContact O-CD2 3.21Å; D506-H510 PolarHBondContact O-N 2.75Å
507	L	31.7	Very low	38.2	Very low	66 Å²	66	76.9 Å²	76.9	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-35	172.9	-81	161.5	0	0	0	112.4	S502 S503 R511	S502-L507 WeakPolarHBondContact OG-CG 3.37Å; S503-L507 PolarHBondContact O-N 2.94Å; L507-R511 VanDerWaalsContact O-CB 3.28Å; L507-R511 WeakPolarHBondContact O-CB 3.18Å; L507-R511 WeakPolarHBondContact O-CG 3.1Å; L507-R511 PolarHBondContact O-N 3.03Å
508	L	32.8	Very low	40.1	Very low	93 Å²	93	73 Å²	73	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-67.4	-45.2	174.8	-91.8	156.7	0	0	0	110.7	P504 E505 D506 H510 R511 L512	P504-L508 WeakPolarHBondContact O-CB 2.98Å; P504-L508 WeakPolarHBondContact O-CD1 3.39Å; P504-L508 WeakPolarHBondContact O-CG 3.06Å; P504-L508 PolarHBondContact O-N 2.64Å; E505-L508 WeakPolarHBondContact O-CB 2.99Å; E505-L508 PolarHBondContact O-N 2.8Å; D506-L508 VanDerWaalsContact C-N 3.32Å; D506-L508 PolarHBondContact O-N 3.2Å; L508-H510 PolarHBondContact O-N 3Å; L508-R511 PolarHBondContact O-N 2.85Å; L508-L512 HydrophobicContact CB-CD1 4.23Å; L508-L512 HydrophobicContact CD2-CD1 3.9Å; L508-L512 HydrophobicContact CD2-CG 4.27Å; L508-L512 WeakPolarHBondContact O-CB 3.46Å; L508-L512 WeakPolarHBondContact O-CD1 3.16Å; L508-L512 WeakPolarHBondContact O-CG 3.32Å; L508-L512 PolarHBondContact O-N 2.83Å
509	V	36.2	Very low	41.8	Very low	18 Å²	18	66.5 Å²	66.5	11%	0.109	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-44.4	177.8	176.5	0	0	0	0	111.3	E505 D506 R511 L512 S513 L522	E505-V509 WeakPolarHBondContact O-CG2 3.44Å; E505-V509 PolarHBondContact O-N 3.29Å; D506-V509 PolarHBondContact O-N 3.46Å; V509-R511 VanDerWaalsContact C-N 3.27Å; V509-R511 PolarHBondContact O-N 2.81Å; V509-L512 PolarHBondContact O-N 3.43Å; V509-S513 PolarHBondContact O-N 3.16Å; V509-S513 PolarHBondContact O-OG 2.8Å; V509-L522 HydrophobicContact CG2-CD1 3.42Å; V509-L522 VanDerWaalsContact CG2-CD1 3.42Å; V509-L522 HydrophobicContact CG2-CG 4.1Å
510	H	36.1	Very low	43.8	Very low	111 Å²	111	61.6 Å²	61.6	51%	0.514	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-22.7	175.9	-89.5	-75.3	0	0	0	114.5	D506 L508	D506-H510 PolarHBondContact O-CD2 3.21Å; D506-H510 PolarHBondContact O-N 2.75Å; L508-H510 PolarHBondContact O-N 3Å
511	R	32.3	Very low	45.5	Very low	186 Å²	186	58.5 Å²	58.5	70%	0.702	30%	0.304	S	S	*	.	H	α-helix	trans	-92.1	-29.2	175	-73.8	176.9	-178.6	-170.7	1.7	113.1	L507 L508 V509	L507-R511 VanDerWaalsContact O-CB 3.28Å; L507-R511 WeakPolarHBondContact O-CB 3.18Å; L507-R511 WeakPolarHBondContact O-CG 3.1Å; L507-R511 PolarHBondContact O-N 3.03Å; L508-R511 PolarHBondContact O-N 2.85Å; V509-R511 VanDerWaalsContact C-N 3.27Å; V509-R511 PolarHBondContact O-N 2.81Å
512	L	35.4	Very low	47	Very low	26 Å²	26	54.3 Å²	54.3	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-86	-32.6	-177.6	-69.4	173.4	0	0	0	112.4	I303 N306 W433 L508 V509	I303-L512 HydrophobicContact CB-CD2 4.08Å; I303-L512 HydrophobicContact CD1-CD2 3.68Å; I303-L512 HydrophobicContact CG1-CD2 3.56Å; I303-L512 HydrophobicContact CG2-CD2 3.44Å; I303-L512 VanDerWaalsContact CG2-CD2 3.44Å; N306-L512 PolarHBondContact ND2-O 3.3Å; W433-L512 HydrophobicContact CH2-CB 4.23Å; W433-L512 HydrophobicContact CH2-CD1 4.3Å; W433-L512 HydrophobicContact CZ2-CB 4.44Å; L508-L512 HydrophobicContact CB-CD1 4.23Å; L508-L512 HydrophobicContact CD2-CD1 3.9Å; L508-L512 HydrophobicContact CD2-CG 4.27Å; L508-L512 WeakPolarHBondContact O-CB 3.46Å; L508-L512 WeakPolarHBondContact O-CD1 3.16Å; L508-L512 WeakPolarHBondContact O-CG 3.32Å; L508-L512 PolarHBondContact O-N 2.83Å; V509-L512 PolarHBondContact O-N 3.43Å
513	S	42.5	Very low	48.8	Very low	8 Å²	8	55.3 Å²	55.3	6%	0.056	29%	0.286	C	S	.	.	S	Bend	trans	-83.4	103.7	156.4	55.7	0	0	0	0	106.2	V509	V509-S513 PolarHBondContact O-N 3.16Å; V509-S513 PolarHBondContact O-OG 2.8Å
514	G	42	Very low	50.7	Low	17 Å²	17	56 Å²	56	18%	0.175	29%	0.285	C	S	.	.			trans	-57.1	174.1	170	0	0	0	0	0	110.1	N306 C516 H517	N306-G514 PolarHBondContact ND2-N 2.83Å; G514-C516 PolarHBondContact O-N 3.22Å; G514-H517 PolarHBondContact O-N 3.19Å
515	Q	52	Low	52.7	Low	134 Å²	134	51.6 Å²	51.6	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-19	176.6	-71.9	175.6	-13.2	0	0	113.8
516	C	55.9	Low	54.1	Low	4 Å²	4	50.1 Å²	50.1	3%	0.027	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-11.6	-178.2	-47.5	0	0	0	0	115	K261 C308 G514 V563	K261-C516 WeakPolarHBondContact CE-O 3.46Å; K261-C516 PolarHBondContact NZ-O 3.37Å; C308-C516 HydrophobicContact CB-CB 3.6Å; C308-C516 WeakPolarHBondContact CB-SG 3.41Å; C308-C516 WeakPolarHBondContact SG-CB 3.48Å; C308-C516 CovalentContact SG-SG 2.01Å; C308-C516 PolarHBondContact SG-SG 2.67Å; G514-C516 PolarHBondContact O-N 3.22Å; C516-V563 WeakPolarHBondContact O-CG2 3.24Å
517	H	67.6	Low	55.6	Low	12 Å²	12	48.9 Å²	48.9	6%	0.056	24%	0.241	C	C	.	.	S	Bend	trans	-113.1	153.8	-175.3	-75.9	-70.3	0	0	0	112.6	N306 S429 L431 G514 E561	N306-H517 PolarHBondContact OD1-CD2 2.79Å; S429-H517 PolarHBondContact OG-CE1 2.88Å; S429-H517 PolarHBondContact OG-NE2 3.43Å; L431-H517 HydrophobicContact CD2-CB 3.79Å; G514-H517 PolarHBondContact O-N 3.19Å; H517-E561 WeakPolarHBondContact CB-OE2 3.49Å; H517-E561 IonicContact CG-OE2 2.69Å; H517-E561 IonicContact ND1-OE2 3.98Å; H517-E561 PolarHBondContact ND1-OE2 3.14Å
518	T	68.3	Low	56.9	Low	2 Å²	2	47.2 Å²	47.2	1%	0.012	23%	0.23	C	C	.	.			trans	-74.7	138.8	-178.1	-56.4	0	0	0	0	110.7	N170 L171 W253 M263 F520 E561	N170-T518 WeakPolarHBondContact O-CG2 3.17Å; L171-T518 HydrophobicContact CD2-CG2 3.9Å; W253-T518 HydrophobicContact CH2-CG2 4.31Å; W253-T518 WeakPolarHBondContact CH2-OG1 3.17Å; W253-T518 HydrophobicContact CZ2-CG2 4.29Å; W253-T518 WeakPolarHBondContact CZ2-OG1 3.08Å; M263-T518 HydrophobicContact CE-CG2 3.6Å; T518-F520 WeakPolarHBondContact O-CE1 3.27Å; T518-E561 WeakPolarHBondContact CB-OE1 3.4Å; T518-E561 PolarHBondContact N-OE1 2.77Å; T518-E561 PolarHBondContact N-OE2 3.45Å; T518-E561 PolarHBondContact OG1-OE1 3.19Å
519	S	67.2	Low	58	Low	16 Å²	16	47.8 Å²	47.8	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	158.2	171.8	62.3	0	0	0	0	111.7	N170	N170-S519 WeakPolarHBondContact CB-O 3.47Å; N170-S519 VanDerWaalsContact CB-OG 3.26Å; N170-S519 WeakPolarHBondContact CB-OG 3.41Å; N170-S519 PolarHBondContact N-O 3.21Å
520	F	73.9	Confident	58.6	Low	8 Å²	8	47.6 Å²	47.6	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.3	-176.8	10.4	-91.6	0	0	0	110.8	L167 W433 T518 L522	L167-F520 HydrophobicContact CD1-CB 4.35Å; W433-F520 AromaticContact CD1-CZ 3.53Å; W433-F520 HydrophobicContact CD2-CE2 4.2Å; W433-F520 HydrophobicContact CD2-CZ 4.06Å; W433-F520 AromaticContact CE2-CZ 3.76Å; W433-F520 HydrophobicContact CG-CE2 4.36Å; W433-F520 AromaticContact CG-CZ 3.94Å; W433-F520 HydrophobicContact CG-CZ 3.94Å; W433-F520 HydrophobicContact CZ2-CZ 4.44Å; W433-F520 AromaticContact NE1-CZ 3.41Å; T518-F520 WeakPolarHBondContact O-CE1 3.27Å; F520-L522 HydrophobicContact CD2-CD2 4.05Å; F520-L522 HydrophobicContact CD2-CG 4.47Å; F520-L522 PolarHBondContact O-N 2.88Å
521	D	69.8	Low	58.9	Low	44 Å²	44	44.2 Å²	44.2	24%	0.235	22%	0.22	C	C	.	.			trans	-80.5	114.3	175.3	-178	-2.6	0	0	0	110.2	P168 T523	P168-D521 HydrophobicContact CB-CB 3.87Å; P168-D521 HydrophobicContact CG-CB 3.89Å; P168-D521 PolarHBondContact O-N 2.93Å; D521-T523 WeakPolarHBondContact OD1-CB 3.24Å; D521-T523 PolarHBondContact OD1-N 2.84Å; D521-T523 PolarHBondContact OD1-OG1 2.9Å
522	L	70.1	Confident	59.1	Low	35 Å²	35	40.4 Å²	40.4	18%	0.183	21%	0.21	C	C	.	.			trans	-96.5	16	178.5	-61.1	-176.1	0	0	0	113.2	L435 R438 V509 F520 E524 W525	L435-L522 HydrophobicContact CD1-CD2 3.86Å; L435-L522 HydrophobicContact CD2-CD2 4Å; R438-L522 PolarHBondContact NE-O 2.92Å; R438-L522 PolarHBondContact NH2-O 2.9Å; V509-L522 HydrophobicContact CG2-CD1 3.42Å; V509-L522 VanDerWaalsContact CG2-CD1 3.42Å; V509-L522 HydrophobicContact CG2-CG 4.1Å; F520-L522 HydrophobicContact CD2-CD2 4.05Å; F520-L522 HydrophobicContact CD2-CG 4.47Å; F520-L522 PolarHBondContact O-N 2.88Å; L522-E524 VanDerWaalsContact C-N 3.27Å; L522-E524 PolarHBondContact O-N 2.81Å; L522-W525 HydrophobicContact CD2-CB 3.91Å; L522-W525 PolarHBondContact O-N 2.83Å
523	T	70.3	Confident	59.2	Low	62 Å²	62	41.2 Å²	41.2	38%	0.38	22%	0.216	S	C	.	.	S	Bend	trans	-56.6	-42.8	178.4	-60.8	0	0	0	0	111.7	R438 M443 D521	R438-T523 WeakPolarHBondContact CD-O 3.39Å; M443-T523 HydrophobicContact CE-CG2 3.9Å; D521-T523 WeakPolarHBondContact OD1-CB 3.24Å; D521-T523 PolarHBondContact OD1-N 2.84Å; D521-T523 PolarHBondContact OD1-OG1 2.9Å
524	E	75.3	Confident	58.5	Low	53 Å²	53	47.1 Å²	47.1	25%	0.248	24%	0.243	C	C	.	.	S	Bend	trans	-99.2	-1.3	177.5	-65.8	-166.7	-178.3	0	0	114.1	H165 R438 M443 L522	H165-E524 IonicContact CE1-OE2 3.35Å; H165-E524 IonicContact ND1-OE2 3.71Å; H165-E524 PolarHBondContact ND1-OE2 2.81Å; H165-E524 VanDerWaalsContact ND1-OE2 3.08Å; R438-E524 PolarHBondContact N-O 2.83Å; M443-E524 HydrophobicContact CE-CG 4.04Å; L522-E524 VanDerWaalsContact C-N 3.27Å; L522-E524 PolarHBondContact O-N 2.81Å
525	W	73.9	Confident	57.8	Low	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.7	-171.1	-61.3	91.7	0	0	0	111.7	H165 V166 L167 F267 L435 R438 L522 V555 A557	H165-W525 HydrophobicContact CB-CH2 4.08Å; H165-W525 HydrophobicContact CB-CZ2 3.68Å; V166-W525 PolarHBondContact O-NE1 3.12Å; L167-W525 HydrophobicContact CB-CZ2 4.07Å; L167-W525 HydrophobicContact CD1-CD2 4.23Å; L167-W525 HydrophobicContact CD1-CG 3.94Å; F267-W525 HydrophobicContact CD1-CH2 4.06Å; F267-W525 AromaticContact CE1-CH2 3.73Å; F267-W525 HydrophobicContact CE1-CH2 3.73Å; F267-W525 HydrophobicContact CE1-CZ2 4.03Å; L435-W525 HydrophobicContact CB-CB 4.42Å; L435-W525 HydrophobicContact CB-CE3 3.92Å; L435-W525 HydrophobicContact CD1-CB 4.39Å; R438-W525 PolarHBondContact NE-O 2.85Å; L522-W525 HydrophobicContact CD2-CB 3.91Å; L522-W525 PolarHBondContact O-N 2.83Å; W525-V555 HydrophobicContact CH2-CG1 3.63Å; W525-V555 HydrophobicContact CZ3-CG1 3.94Å; W525-A557 HydrophobicContact CE3-CB 4.18Å; W525-A557 HydrophobicContact CH2-CB 3.8Å; W525-A557 HydrophobicContact CZ3-CB 3.58Å
526	E	67.1	Low	56.6	Low	76 Å²	76	52.2 Å²	52.2	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.9	170.1	64.1	-172.6	177.1	0	0	109.4	L435 V436 R438 Y528 R554	L435-E526 CarbonylContact C-O 3.55Å; L435-E526 WeakPolarHBondContact CA-O 3.18Å; V436-E526 HydrophobicContact CG1-CG 3.46Å; V436-E526 VanDerWaalsContact CG1-CG 3.46Å; V436-E526 PolarHBondContact N-O 3.32Å; V436-E526 PolarHBondContact O-N 3.07Å; R438-E526 HydrophobicContact CG-CB 4.31Å; R438-E526 HydrophobicContact CG-CG 4.39Å; E526-Y528 PolarHBondContact O-N 3.47Å; E526-R554 IonicContact OE1-CZ 2.72Å; E526-R554 IonicContact OE1-NH1 3.95Å; E526-R554 PolarHBondContact OE1-NH1 3.04Å; E526-R554 IonicContact OE1-NH2 2.8Å
527	E	66.6	Low	55.1	Low	56 Å²	56	58.6 Å²	58.6	26%	0.262	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.6	175.3	-174.1	-178.7	176.4	0	0	110	P301 W433 I529	P301-E527 WeakPolarHBondContact CB-OE1 3.2Å; P301-E527 HydrophobicContact CG-CG 4.45Å; W433-E527 HydrophobicContact CE3-CG 4.39Å; W433-E527 HydrophobicContact CZ3-CG 4.23Å; E527-I529 PolarHBondContact O-N 3.36Å
528	Y	60.7	Low	53	Low	31 Å²	31	62.7 Å²	62.7	12%	0.122	34%	0.342	C	S	.	.			trans	-80.9	105.5	176.2	-180	-106.6	0	0	0	111	P301 T434 V436 E526 A530 P531 F556	P301-Y528 WeakPolarHBondContact CD-O 3.36Å; P301-Y528 WeakPolarHBondContact CG-O 3.4Å; T434-Y528 HydrophobicContact CG2-CD1 4.23Å; T434-Y528 HydrophobicContact CG2-CG 4.37Å; T434-Y528 WeakPolarHBondContact O-CB 3.29Å; T434-Y528 PolarHBondContact O-N 3.17Å; V436-Y528 HydrophobicContact CG1-CD2 4.38Å; E526-Y528 PolarHBondContact O-N 3.47Å; Y528-A530 HydrophobicContact CE1-CB 4.38Å; Y528-P531 WeakPolarHBondContact OH-CD 3.25Å; Y528-F556 HydrophobicContact CD2-CD1 4.44Å; Y528-F556 AromaticContact CD2-CE1 3.58Å; Y528-F556 HydrophobicContact CD2-CE1 3.58Å; Y528-F556 HydrophobicContact CD2-CZ 4.44Å; Y528-F556 AromaticContact CE2-CE1 3.81Å; Y528-F556 HydrophobicContact CE2-CE1 3.81Å; Y528-F556 HydrophobicContact CE2-CZ 4.28Å; Y528-F556 HydrophobicContact CG-CD1 4.5Å; Y528-F556 HydrophobicContact CG-CE1 4.03Å
529	I	54.8	Low	51	Low	105 Å²	105	68.9 Å²	68.9	54%	0.538	38%	0.375	S	S	.	.			trans	-92.6	116.7	172.1	-58	168.7	0	0	0	108.6	P300 E527	P300-I529 HydrophobicContact CB-CG2 4.21Å; E527-I529 PolarHBondContact O-N 3.36Å
530	A	48.7	Very low	49.1	Very low	13 Å²	13	75.7 Å²	75.7	11%	0.107	41%	0.407	C	S	.	.			trans	-58.8	140.8	-176.9	0	0	0	0	0	112	P300 Y528 H532 V533	P300-A530 HydrophobicContact CB-CB 3.89Å; Y528-A530 HydrophobicContact CE1-CB 4.38Å; A530-H532 PolarHBondContact O-N 2.89Å; A530-V533 PolarHBondContact O-N 3.03Å
531	P	41.7	Very low	47.1	Very low	40 Å²	40	83.3 Å²	83.3	26%	0.26	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.2	-171.3	-25.6	33.6	0	0	0	115.7	Y528 V533 I547	Y528-P531 WeakPolarHBondContact OH-CD 3.25Å; P531-V533 PolarHBondContact O-N 2.64Å; P531-I547 HydrophobicContact CB-CD1 4.25Å; P531-I547 HydrophobicContact CG-CG2 4.33Å
532	H	37.7	Very low	45.3	Very low	106 Å²	106	84.9 Å²	84.9	49%	0.491	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9.5	-174.9	-52.5	-46.7	0	0	0	113.5	F276 A530	F276-H532 AromaticContact CD1-NE2 3.7Å; F276-H532 AromaticContact CE1-CE1 3.61Å; F276-H532 AromaticContact CE1-NE2 3.26Å; F276-H532 VanDerWaalsContact CE1-NE2 3.26Å; F276-H532 WeakPolarHBondContact CE1-NE2 3.47Å; F276-H532 AromaticContact CZ-NE2 3.94Å; A530-H532 PolarHBondContact O-N 2.89Å
533	V	37.3	Very low	43.7	Very low	43 Å²	43	86.5 Å²	86.5	26%	0.261	47%	0.472	S	S	.	.			trans	-115.9	65.2	-175.9	-175.9	0	0	0	0	106.3	K299 P300 A530 P531 T535	K299-V533 HydrophobicContact CB-CG2 4.26Å; K299-V533 HydrophobicContact CG-CG2 4.49Å; P300-V533 HydrophobicContact CB-CB 4.04Å; P300-V533 HydrophobicContact CB-CG1 4.42Å; P300-V533 HydrophobicContact CB-CG2 3.65Å; P300-V533 HydrophobicContact CG-CB 3.55Å; P300-V533 HydrophobicContact CG-CG1 3.46Å; P300-V533 VanDerWaalsContact CG-CG1 3.46Å; P300-V533 HydrophobicContact CG-CG2 3.25Å; A530-V533 PolarHBondContact O-N 3.03Å; P531-V533 PolarHBondContact O-N 2.64Å; V533-T535 PolarHBondContact O-N 2.93Å
534	Q	27.6	Very low	42.2	Very low	133 Å²	133	90.2 Å²	90.2	62%	0.621	48%	0.483	S	S	*	.			trans	-61.7	96.4	153.8	-78	174	-21.9	0	0	106.4	V536	Q534-V536 PolarHBondContact O-N 3.4Å
535	T	28.2	Very low	40.4	Very low	111 Å²	111	94 Å²	94	68%	0.681	51%	0.505	S	S	*	.			trans	-45.9	125.3	139.3	41.2	0	0	0	0	106.3	V533 I537	V533-T535 PolarHBondContact O-N 2.93Å; T535-I537 PolarHBondContact O-N 3.05Å
536	V	25	Very low	38.8	Very low	146 Å²	146	101.7 Å²	101.7	89%	0.885	53%	0.534	S	S	*	.	S	Bend	trans	-53.3	85.1	-174.6	-178.8	0	0	0	0	110.3	Q534	Q534-V536 PolarHBondContact O-N 3.4Å
537	I	25.2	Very low	37.8	Very low	139 Å²	139	101 Å²	101	71%	0.713	53%	0.532	S	S	*	.			trans	-134.1	97.2	158.1	-51.9	-179.4	0	0	0	103.5	T535 D539	T535-I537 PolarHBondContact O-N 3.05Å; I537-D539 PolarHBondContact O-N 2.87Å
538	S	24	Very low	36.9	Very low	98 Å²	98	102.5 Å²	102.5	69%	0.685	54%	0.54	S	S	*	.			trans	-48.6	117.7	175.3	49.6	0	0	0	0	111.4
539	D	25.5	Very low	36.3	Very low	131 Å²	131	107.4 Å²	107.4	70%	0.701	57%	0.565	S	S	*	*			trans	-144.5	92.7	144.5	-98.1	-22.5	0	0	0	108.3	I537 N541	I537-D539 PolarHBondContact O-N 2.87Å; D539-N541 VanDerWaalsContact C-N 3.26Å; D539-N541 PolarHBondContact O-N 2.85Å; D539-N541 VanDerWaalsContact O-N 3.16Å
540	M	27.3	Very low	36.2	Very low	159 Å²	159	109 Å²	109	78%	0.783	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	14.5	-167.5	-93.5	-73.9	169.7	0	0	115.4
541	N	31.5	Very low	36.6	Very low	168 Å²	168	109.9 Å²	109.9	90%	0.898	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.9	14.2	-169.3	-83.5	-34.2	0	0	0	118.1	D539	D539-N541 VanDerWaalsContact C-N 3.26Å; D539-N541 PolarHBondContact O-N 2.85Å; D539-N541 VanDerWaalsContact O-N 3.16Å
542	S	33.2	Very low	37.7	Very low	77 Å²	77	112 Å²	112	54%	0.538	58%	0.578	S	S	.	*			trans	-155.4	152.4	168	61.7	0	0	0	0	110.3
543	N	36.5	Very low	39.3	Very low	70 Å²	70	114.4 Å²	114.4	37%	0.374	58%	0.583	S	S	.	*			trans	130.8	14.5	151	-59	-35.9	0	0	0	119.1	R546 I547	N543-R546 HydrophobicContact CB-CB 4.49Å; N543-R546 WeakPolarHBondContact OD1-CD 3.47Å; N543-I547 WeakPolarHBondContact O-CD1 3.21Å; N543-I547 WeakPolarHBondContact O-CG1 3.11Å
544	F	38.5	Very low	41.2	Very low	139 Å²	139	113.4 Å²	113.4	61%	0.61	58%	0.575	S	S	*	*	H	α-helix	trans	-71.4	-42.6	164.4	-95.5	-81.4	0	0	0	112.5	F276 I547	F276-F544 HydrophobicContact CZ-CE1 4.25Å; F544-I547 PolarHBondContact O-N 3.31Å
545	N	37.4	Very low	43.8	Very low	133 Å²	133	107.1 Å²	107.1	71%	0.711	55%	0.545	S	S	*	.	H	α-helix	trans	-70.8	-34.6	178.4	-75.4	-4.2	0	0	0	113.7	I547 I548 E549	N545-I547 VanDerWaalsContact C-N 3.28Å; N545-I547 PolarHBondContact O-N 2.91Å; N545-I548 PolarHBondContact O-N 2.89Å; N545-E549 PolarHBondContact O-N 2.75Å
546	R	41.1	Very low	46.3	Very low	162 Å²	162	101.9 Å²	101.9	61%	0.611	51%	0.513	S	S	*	.	H	α-helix	trans	-68.4	-23.5	178.8	-90.2	179.9	169.5	-170.9	1.2	113.8	N543 K550	N543-R546 HydrophobicContact CB-CB 4.49Å; N543-R546 WeakPolarHBondContact OD1-CD 3.47Å; R546-K550 WeakPolarHBondContact O-CB 3.43Å; R546-K550 WeakPolarHBondContact O-CG 3.2Å; R546-K550 PolarHBondContact O-N 3.13Å; R546-K550 VanDerWaalsContact O-N 3.17Å
547	I	45	Very low	48.8	Very low	61 Å²	61	94.9 Å²	94.9	31%	0.313	47%	0.471	S	S	.	.	H	α-helix	trans	-79.7	-37.9	-179.7	-67.7	168.5	0	0	0	111	P531 N543 F544 N545 K550 T551	P531-I547 HydrophobicContact CB-CD1 4.25Å; P531-I547 HydrophobicContact CG-CG2 4.33Å; N543-I547 WeakPolarHBondContact O-CD1 3.21Å; N543-I547 WeakPolarHBondContact O-CG1 3.11Å; F544-I547 PolarHBondContact O-N 3.31Å; N545-I547 VanDerWaalsContact C-N 3.28Å; N545-I547 PolarHBondContact O-N 2.91Å; I547-K550 PolarHBondContact O-N 2.83Å; I547-T551 PolarHBondContact O-N 2.57Å; I547-T551 VanDerWaalsContact O-N 3.08Å; I547-T551 PolarHBondContact O-OG1 2.86Å
548	I	48	Very low	51.2	Low	87 Å²	87	88.3 Å²	88.3	45%	0.446	44%	0.437	S	S	.	.	H	α-helix	trans	-62.7	-44.8	175.1	-63.1	170.7	0	0	0	109.9	N545 K550 T551 Q552	N545-I548 PolarHBondContact O-N 2.89Å; I548-K550 VanDerWaalsContact C-N 3.34Å; I548-K550 PolarHBondContact O-N 2.82Å; I548-T551 PolarHBondContact O-N 2.87Å; I548-T551 PolarHBondContact O-OG1 3.15Å; I548-Q552 WeakPolarHBondContact O-CB 3.4Å; I548-Q552 PolarHBondContact O-N 3.16Å
549	E	48.5	Very low	53.5	Low	134 Å²	134	83.8 Å²	83.8	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-62.5	-38.6	174.3	-73.1	179.6	167.2	0	0	112.6	N545 T551	N545-E549 PolarHBondContact O-N 2.75Å; E549-T551 VanDerWaalsContact C-N 3.33Å; E549-T551 PolarHBondContact O-N 3.31Å
550	K	52.3	Low	55.8	Low	138 Å²	138	77.6 Å²	77.6	60%	0.6	37%	0.372	S	S	*	.	H	α-helix	trans	-67.9	-30.2	179.7	-85.6	-177.7	179.1	-176.4	0	113.5	R546 I547 I548 R554	R546-K550 WeakPolarHBondContact O-CB 3.43Å; R546-K550 WeakPolarHBondContact O-CG 3.2Å; R546-K550 PolarHBondContact O-N 3.13Å; R546-K550 VanDerWaalsContact O-N 3.17Å; I547-K550 PolarHBondContact O-N 2.83Å; I548-K550 VanDerWaalsContact C-N 3.34Å; I548-K550 PolarHBondContact O-N 2.82Å; K550-R554 PolarHBondContact O-NE 2.84Å; K550-R554 PolarHBondContact O-NH2 2.76Å
551	T	57.8	Low	58.1	Low	33 Å²	33	70.2 Å²	70.2	20%	0.202	34%	0.335	C	S	.	.	H	α-helix	trans	-102.1	-12.5	-173.4	51.5	0	0	0	0	113.6	S270 I547 I548 E549 R554	S270-T551 VanDerWaalsContact CB-O 3.25Å; S270-T551 WeakPolarHBondContact CB-O 3.44Å; S270-T551 PolarHBondContact OG-O 3.34Å; I547-T551 PolarHBondContact O-N 2.57Å; I547-T551 VanDerWaalsContact O-N 3.08Å; I547-T551 PolarHBondContact O-OG1 2.86Å; I548-T551 PolarHBondContact O-N 2.87Å; I548-T551 PolarHBondContact O-OG1 3.15Å; E549-T551 VanDerWaalsContact C-N 3.33Å; E549-T551 PolarHBondContact O-N 3.31Å; T551-R554 PolarHBondContact O-N 2.98Å
552	Q	63.4	Low	60.1	Low	83 Å²	83	62.3 Å²	62.3	39%	0.388	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	136.5	175.5	-114.7	177.1	-15.4	0	0	112.1	N272 I548 R554	N272-Q552 VanDerWaalsContact OD1-CG 3.24Å; N272-Q552 WeakPolarHBondContact OD1-CG 3.47Å; N272-Q552 PolarHBondContact OD1-NE2 2.64Å; I548-Q552 WeakPolarHBondContact O-CB 3.4Å; I548-Q552 PolarHBondContact O-N 3.16Å; Q552-R554 VanDerWaalsContact C-N 3.28Å; Q552-R554 PolarHBondContact O-N 2.91Å
553	R	71.5	Confident	62.1	Low	157 Å²	157	58.7 Å²	58.7	59%	0.592	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	28.9	177.4	-54.6	179.9	171.8	-170.5	-4.3	115.2	I143 S161 S270	I143-R553 HydrophobicContact CD1-CB 4.33Å; I143-R553 HydrophobicContact CD1-CG 4.22Å; S161-R553 PolarHBondContact OG-O 3.02Å; S270-R553 PolarHBondContact OG-N 3.28Å
554	R	77.1	Confident	63.9	Low	23 Å²	23	55.4 Å²	55.4	9%	0.087	25%	0.25	C	S	.	.			trans	-104.8	163	172.2	-65.1	-174	-179.9	-157.1	24.3	110.5	S270 V436 S437 E526 K550 T551 Q552	S270-R554 WeakPolarHBondContact CB-O 3.45Å; S270-R554 PolarHBondContact N-O 3.32Å; S270-R554 PolarHBondContact OG-N 3.05Å; S270-R554 VanDerWaalsContact OG-N 3.17Å; S270-R554 PolarHBondContact OG-O 3.19Å; V436-R554 HydrophobicContact CG2-CB 4.01Å; S437-R554 VanDerWaalsContact O-CD 3.24Å; S437-R554 WeakPolarHBondContact O-CD 3.47Å; S437-R554 PolarHBondContact O-NH1 2.86Å; E526-R554 IonicContact OE1-CZ 2.72Å; E526-R554 IonicContact OE1-NH1 3.95Å; E526-R554 PolarHBondContact OE1-NH1 3.04Å; E526-R554 IonicContact OE1-NH2 2.8Å; K550-R554 PolarHBondContact O-NE 2.84Å; K550-R554 PolarHBondContact O-NH2 2.76Å; T551-R554 PolarHBondContact O-N 2.98Å; Q552-R554 VanDerWaalsContact C-N 3.28Å; Q552-R554 PolarHBondContact O-N 2.91Å
555	V	82	Confident	65.6	Low	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140	172.6	60.9	0	0	0	0	109.6	L135 I162 H165 F267 V436 S437 W525	L135-V555 HydrophobicContact CD1-CG2 3.78Å; I162-V555 HydrophobicContact CG2-CB 4.41Å; H165-V555 HydrophobicContact CB-CG1 3.97Å; F267-V555 HydrophobicContact CB-CG2 4.05Å; F267-V555 HydrophobicContact CD1-CG2 4.05Å; F267-V555 HydrophobicContact CG-CG2 4.49Å; V436-V555 WeakPolarHBondContact CA-O 3.38Å; S437-V555 PolarHBondContact N-O 3.3Å; S437-V555 PolarHBondContact OG-N 3.44Å; S437-V555 VanDerWaalsContact OG-N 3.12Å; W525-V555 HydrophobicContact CH2-CG1 3.63Å; W525-V555 HydrophobicContact CZ3-CG1 3.94Å
556	F	80.7	Confident	67.5	Low	1 Å²	1	43.8 Å²	43.8	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.6	169.2	-64.3	-86.6	0	0	0	109.3	F267 K268 F278 T434 L435 V436 Y528	F267-F556 CarbonylContact C-O 3.48Å; F267-F556 VanDerWaalsContact CA-O 3.24Å; F267-F556 WeakPolarHBondContact CA-O 3.47Å; K268-F556 PolarHBondContact N-O 2.82Å; K268-F556 PolarHBondContact O-N 2.88Å; F278-F556 AromaticContact CD1-CD2 3.92Å; F278-F556 HydrophobicContact CD1-CD2 3.92Å; F278-F556 AromaticContact CD1-CE2 3.48Å; F278-F556 HydrophobicContact CD1-CE2 3.48Å; F278-F556 VanDerWaalsContact CD1-CE2 3.48Å; F278-F556 HydrophobicContact CD1-CZ 4Å; F278-F556 HydrophobicContact CE1-CD2 4.36Å; F278-F556 AromaticContact CE1-CE2 3.71Å; F278-F556 HydrophobicContact CE1-CE2 3.71Å; F278-F556 HydrophobicContact CE1-CZ 4.4Å; F278-F556 HydrophobicContact CG-CE2 4.13Å; F278-F556 HydrophobicContact CG-CZ 4.19Å; F278-F556 HydrophobicContact CZ-CE2 4.49Å; T434-F556 HydrophobicContact CG2-CD1 4.41Å; L435-F556 CarbonylContact O-C 3.56Å; L435-F556 WeakPolarHBondContact O-CA 3.39Å; V436-F556 HydrophobicContact CB-CD1 3.77Å; V436-F556 HydrophobicContact CB-CE1 3.71Å; V436-F556 HydrophobicContact CG2-CD1 3.89Å; V436-F556 HydrophobicContact CG2-CE1 3.57Å; V436-F556 HydrophobicContact CG2-CZ 3.99Å; Y528-F556 HydrophobicContact CD2-CD1 4.44Å; Y528-F556 AromaticContact CD2-CE1 3.58Å; Y528-F556 HydrophobicContact CD2-CE1 3.58Å; Y528-F556 HydrophobicContact CD2-CZ 4.44Å; Y528-F556 AromaticContact CE2-CE1 3.81Å; Y528-F556 HydrophobicContact CE2-CE1 3.81Å; Y528-F556 HydrophobicContact CE2-CZ 4.28Å; Y528-F556 HydrophobicContact CG-CD1 4.5Å; Y528-F556 HydrophobicContact CG-CE1 4.03Å
557	A	77.7	Confident	68.8	Low	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.6	168.4	0	0	0	0	0	108.5	L167 S266 F267 T434 L435 W525 L559	L167-A557 HydrophobicContact CD2-CB 4.13Å; S266-A557 WeakPolarHBondContact O-CA 3.49Å; F267-A557 HydrophobicContact CD1-CB 3.81Å; F267-A557 HydrophobicContact CE1-CB 3.68Å; T434-A557 WeakPolarHBondContact CA-O 3.26Å; L435-A557 HydrophobicContact CB-CB 4.36Å; L435-A557 PolarHBondContact N-O 3.41Å; L435-A557 PolarHBondContact O-N 3.38Å; W525-A557 HydrophobicContact CE3-CB 4.18Å; W525-A557 HydrophobicContact CH2-CB 3.8Å; W525-A557 HydrophobicContact CZ3-CB 3.58Å; A557-L559 HydrophobicContact CB-CD1 4.23Å
558	H	75.2	Confident	69.8	Low	1 Å²	1	38 Å²	38	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.7	170.4	-51.6	-85.4	0	0	0	109.2	C265 S266 F278 P282 W433 T434	C265-H558 CarbonylContact C-O 3.56Å; C265-H558 WeakPolarHBondContact CA-O 3.04Å; S266-H558 PolarHBondContact N-O 2.72Å; S266-H558 PolarHBondContact O-N 2.96Å; F278-H558 PolarHBondContact O-CE1 3.04Å; F278-H558 VanDerWaalsContact O-CE1 3.26Å; P282-H558 HydrophobicContact CB-CB 4.05Å; P282-H558 HydrophobicContact CG-CB 3.52Å; W433-H558 CarbonylContact O-C 3.56Å; W433-H558 WeakPolarHBondContact O-CA 3.13Å; T434-H558 PolarHBondContact OG1-ND1 2.85Å; T434-H558 VanDerWaalsContact OG1-ND1 3.12Å
559	L	73.8	Confident	69.9	Low	2 Å²	2	39.7 Å²	39.7	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.1	178.6	-64.5	96	0	0	0	110.1	L167 L169 M263 S264 C265 H432 W433 L435 A557	L167-L559 HydrophobicContact CD2-CD1 3.37Å; L167-L559 HydrophobicContact CD2-CD2 3.52Å; L167-L559 HydrophobicContact CD2-CG 3.83Å; L169-L559 HydrophobicContact CD2-CD2 4.13Å; M263-L559 HydrophobicContact SD-CD2 3.89Å; S264-L559 WeakPolarHBondContact O-CA 3.08Å; C265-L559 HydrophobicContact CB-CG 4.38Å; H432-L559 CarbonylContact C-O 3.6Å; H432-L559 VanDerWaalsContact CA-O 3.25Å; H432-L559 WeakPolarHBondContact CA-O 3.34Å; H432-L559 PolarHBondContact CD2-O 3.01Å; W433-L559 HydrophobicContact CB-CB 4.34Å; W433-L559 HydrophobicContact CB-CD1 4.35Å; W433-L559 PolarHBondContact N-O 3.07Å; W433-L559 PolarHBondContact O-N 2.72Å; L435-L559 HydrophobicContact CD1-CD1 3.75Å; L435-L559 HydrophobicContact CG-CD1 4.11Å; A557-L559 HydrophobicContact CB-CD1 4.23Å
560	E	74	Confident	69.7	Low	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.4	167.9	-61.6	174.9	176.5	0	0	108.1	M263 S264 P282 G284 T285 Y430 L431	M263-E560 CarbonylContact C-O 3.53Å; M263-E560 VanDerWaalsContact CA-O 3.25Å; M263-E560 WeakPolarHBondContact CA-O 3.35Å; M263-E560 WeakPolarHBondContact CG-O 3.5Å; S264-E560 PolarHBondContact N-O 3.03Å; S264-E560 PolarHBondContact O-N 3.17Å; P282-E560 WeakPolarHBondContact CA-OE1 3.43Å; P282-E560 HydrophobicContact CB-CG 4.01Å; P282-E560 WeakPolarHBondContact CB-OE1 3.38Å; P282-E560 HydrophobicContact CG-CG 3.45Å; P282-E560 VanDerWaalsContact CG-CG 3.45Å; P282-E560 WeakPolarHBondContact CG-OE1 3.38Å; G284-E560 WeakPolarHBondContact CA-OE2 3.45Å; G284-E560 PolarHBondContact N-OE1 3.13Å; G284-E560 PolarHBondContact N-OE2 3.29Å; T285-E560 PolarHBondContact N-OE2 3.37Å; T285-E560 PolarHBondContact OG1-OE2 3.23Å; Y430-E560 HydrophobicContact CE2-CB 4.15Å; Y430-E560 HydrophobicContact CE2-CG 4.35Å; L431-E560 CarbonylContact O-C 3.58Å; L431-E560 WeakPolarHBondContact O-CA 3.44Å
561	E	74.2	Confident	69.5	Low	4 Å²	4	34.5 Å²	34.5	2%	0.019	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.3	170.3	-175.8	-175.9	-159.5	0	0	109	I262 M263 Y430 L431 H517 T518 V563	I262-E561 CarbonylContact O-C 3.49Å; I262-E561 VanDerWaalsContact O-CA 3.28Å; I262-E561 WeakPolarHBondContact O-CA 3.25Å; M263-E561 HydrophobicContact CE-CB 4.14Å; M263-E561 HydrophobicContact CE-CG 4.26Å; Y430-E561 WeakPolarHBondContact CA-O 3.05Å; L431-E561 HydrophobicContact CB-CB 4.33Å; L431-E561 PolarHBondContact N-O 2.74Å; L431-E561 PolarHBondContact O-N 3.39Å; H517-E561 WeakPolarHBondContact CB-OE2 3.49Å; H517-E561 IonicContact CG-OE2 2.69Å; H517-E561 IonicContact ND1-OE2 3.98Å; H517-E561 PolarHBondContact ND1-OE2 3.14Å; T518-E561 WeakPolarHBondContact CB-OE1 3.4Å; T518-E561 PolarHBondContact N-OE1 2.77Å; T518-E561 PolarHBondContact N-OE2 3.45Å; T518-E561 PolarHBondContact OG1-OE1 3.19Å; E561-V563 HydrophobicContact CG-CG2 4.14Å
562	V	74.2	Confident	68.8	Low	3 Å²	3	38 Å²	38	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.4	168.2	-171.9	0	0	0	0	107.5	K261 I262 T285 S429 Y430 F564	K261-V562 CarbonylContact C-O 3.59Å; K261-V562 WeakPolarHBondContact CA-O 3.26Å; I262-V562 PolarHBondContact N-O 2.73Å; I262-V562 PolarHBondContact O-N 3.12Å; T285-V562 HydrophobicContact CG2-CG2 3.85Å; S429-V562 CarbonylContact O-C 3.42Å; S429-V562 WeakPolarHBondContact O-CA 3.33Å; Y430-V562 HydrophobicContact CD2-CG2 3.81Å; Y430-V562 HydrophobicContact CE2-CG2 4.38Å; V562-F564 HydrophobicContact CB-CE2 4.01Å; V562-F564 HydrophobicContact CB-CZ 4.42Å; V562-F564 HydrophobicContact CG1-CD2 4.04Å; V562-F564 HydrophobicContact CG1-CE1 4.13Å; V562-F564 HydrophobicContact CG1-CE2 3.36Å; V562-F564 HydrophobicContact CG1-CZ 3.42Å; V562-F564 VanDerWaalsContact CG1-CZ 3.42Å
563	V	75.4	Confident	67.6	Low	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	177.2	-174.1	0	0	0	0	107.6	Q259 K261 A428 S429 C516 E561	Q259-V563 HydrophobicContact CB-CG1 3.82Å; Q259-V563 HydrophobicContact CG-CG1 4.28Å; K261-V563 HydrophobicContact CG-CG1 4.13Å; K261-V563 HydrophobicContact CG-CG2 4.18Å; A428-V563 CarbonylContact C-O 3.54Å; A428-V563 WeakPolarHBondContact CA-O 3.16Å; A428-V563 WeakPolarHBondContact CB-O 3.47Å; S429-V563 PolarHBondContact N-O 3.5Å; S429-V563 PolarHBondContact O-N 3.06Å; S429-V563 WeakPolarHBondContact OG-CB 2.92Å; C516-V563 WeakPolarHBondContact O-CG2 3.24Å; E561-V563 HydrophobicContact CG-CG2 4.14Å
564	F	74.9	Confident	65.9	Low	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125	176.7	-65	-84.8	0	0	0	110	Q259 V260 I262 A428 V562 I566 I627	Q259-F564 CarbonylContact C-O 3.44Å; Q259-F564 VanDerWaalsContact CA-O 3.25Å; Q259-F564 WeakPolarHBondContact CA-O 3.33Å; V260-F564 PolarHBondContact N-O 3.26Å; V260-F564 PolarHBondContact O-N 2.79Å; I262-F564 HydrophobicContact CD1-CD2 4.2Å; I262-F564 HydrophobicContact CD1-CE2 3.62Å; I262-F564 HydrophobicContact CG1-CD2 4.43Å; I262-F564 HydrophobicContact CG1-CE2 4.2Å; A428-F564 HydrophobicContact CB-CD1 3.77Å; A428-F564 HydrophobicContact CB-CE1 3.95Å; V562-F564 HydrophobicContact CB-CE2 4.01Å; V562-F564 HydrophobicContact CB-CZ 4.42Å; V562-F564 HydrophobicContact CG1-CD2 4.04Å; V562-F564 HydrophobicContact CG1-CE1 4.13Å; V562-F564 HydrophobicContact CG1-CE2 3.36Å; V562-F564 HydrophobicContact CG1-CZ 3.42Å; V562-F564 VanDerWaalsContact CG1-CZ 3.42Å; F564-I566 HydrophobicContact CB-CD1 4.47Å; F564-I627 HydrophobicContact CB-CD1 4.08Å; F564-I627 HydrophobicContact CD1-CD1 4.26Å; F564-I627 HydrophobicContact CD1-CG2 4.07Å; F564-I627 HydrophobicContact CD2-CD1 4.37Å; F564-I627 HydrophobicContact CE1-CG2 3.65Å; F564-I627 HydrophobicContact CE2-CG2 4.15Å; F564-I627 HydrophobicContact CG-CD1 3.99Å; F564-I627 HydrophobicContact CG-CG2 4.49Å; F564-I627 HydrophobicContact CZ-CG2 3.69Å
565	D	74.2	Confident	64	Low	17 Å²	17	49.6 Å²	49.6	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.4	173.3	-54.8	-56.9	0	0	0	110.3	Q259 S309 R427 R634	Q259-D565 WeakPolarHBondContact CG-OD1 3.5Å; Q259-D565 PolarHBondContact NE2-OD1 2.88Å; S309-D565 WeakPolarHBondContact CB-OD2 3.28Å; S309-D565 PolarHBondContact OG-OD2 3.26Å; R427-D565 HydrophobicContact CB-CB 4.21Å; R427-D565 PolarHBondContact O-N 2.84Å; D565-R634 PolarHBondContact O-NH1 3.28Å; D565-R634 PolarHBondContact O-NH2 2.71Å
566	I	76.9	Confident	61.6	Low	11 Å²	11	60.3 Å²	60.3	6%	0.056	30%	0.298	C	S	.	.			trans	-94.9	121.8	-179	-52.3	-58	0	0	0	109.5	A258 V260 F564 L568 L586 V600 I624 E625 I627	A258-I566 WeakPolarHBondContact O-CA 3.25Å; A258-I566 WeakPolarHBondContact O-CB 3.49Å; A258-I566 WeakPolarHBondContact O-CG1 3.38Å; A258-I566 PolarHBondContact O-N 3.19Å; V260-I566 HydrophobicContact CB-CD1 4.25Å; V260-I566 HydrophobicContact CB-CG1 4.37Å; V260-I566 HydrophobicContact CG2-CD1 3.88Å; V260-I566 HydrophobicContact CG2-CG1 3.71Å; F564-I566 HydrophobicContact CB-CD1 4.47Å; I566-L568 PolarHBondContact O-N 3.15Å; I566-L586 HydrophobicContact CB-CD1 4.26Å; I566-L586 HydrophobicContact CG1-CD1 4.27Å; I566-L586 HydrophobicContact CG2-CD1 4.42Å; I566-V600 HydrophobicContact CD1-CG1 4.38Å; I566-V600 HydrophobicContact CD1-CG2 4.34Å; I566-V600 HydrophobicContact CG1-CG1 4.48Å; I566-I624 HydrophobicContact CG2-CD1 3.51Å; I566-E625 WeakPolarHBondContact CD1-OE2 3.27Å; I566-I627 HydrophobicContact CD1-CD1 4.18Å
567	L	67.9	Low	59.1	Low	76 Å²	76	63.6 Å²	63.6	40%	0.398	32%	0.321	S	S	.	.			trans	-72.5	97.1	177.2	-90.1	152.3	0	0	0	110.8	R427 N569	R427-L567 VanDerWaalsContact CZ-CD1 3.41Å; L567-N569 VanDerWaalsContact C-N 3.31Å; L567-N569 HydrophobicContact CD2-CB 4.47Å
568	L	66.4	Low	56.9	Low	25 Å²	25	69.3 Å²	69.3	13%	0.131	36%	0.356	C	S	.	.			trans	-84.6	-1.9	173.4	-72.6	169.2	0	0	0	114	A258 I566 S570 M571 L572 L586 Y602	A258-L568 HydrophobicContact CB-CD1 3.32Å; A258-L568 HydrophobicContact CB-CG 4.1Å; I566-L568 PolarHBondContact O-N 3.15Å; L568-S570 PolarHBondContact O-N 2.9Å; L568-M571 PolarHBondContact O-N 2.96Å; L568-L572 HydrophobicContact CB-CD1 3.8Å; L568-L572 HydrophobicContact CB-CG 4.4Å; L568-L572 HydrophobicContact CD1-CD1 4.26Å; L568-L572 PolarHBondContact O-N 2.71Å; L568-L586 HydrophobicContact CD2-CD2 4.4Å; L568-Y602 HydrophobicContact CD2-CD2 3.91Å; L568-Y602 HydrophobicContact CD2-CE2 4.01Å
569	N	50.6	Low	54.8	Low	123 Å²	123	80.3 Å²	80.3	66%	0.658	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.6	-168	-81.2	-5.2	0	0	0	115.5	L567 H573	L567-N569 VanDerWaalsContact C-N 3.31Å; L567-N569 HydrophobicContact CD2-CB 4.47Å; N569-H573 PolarHBondContact O-CD2 3.06Å
570	S	43.6	Very low	52.9	Low	103 Å²	103	88.1 Å²	88.1	72%	0.72	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-18.2	174.5	60	0	0	0	0	114.5	L568	L568-S570 PolarHBondContact O-N 2.9Å
571	M	48	Very low	51	Low	60 Å²	60	92.1 Å²	92.1	30%	0.296	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-20.3	-168.2	-67.2	-84.7	-88	0	0	113.7	L568 Y602 N622 I624	L568-M571 PolarHBondContact O-N 2.96Å; M571-Y602 HydrophobicContact CE-CD1 3.61Å; M571-Y602 HydrophobicContact CE-CE1 3.94Å; M571-Y602 HydrophobicContact CE-CG 4.13Å; M571-N622 HydrophobicContact CE-CB 4.49Å; M571-I624 HydrophobicContact CE-CG2 4.22Å
572	L	43.2	Very low	49.7	Very low	108 Å²	108	94.4 Å²	94.4	57%	0.565	49%	0.486	S	S	*	.	S	Bend	trans	-86	-12.4	178.3	-78.4	164.4	0	0	0	113.9	L568 E574	L568-L572 HydrophobicContact CB-CD1 3.8Å; L568-L572 HydrophobicContact CB-CG 4.4Å; L568-L572 HydrophobicContact CD1-CD1 4.26Å; L568-L572 PolarHBondContact O-N 2.71Å; L572-E574 PolarHBondContact O-N 2.87Å; L572-E574 VanDerWaalsContact O-N 3.13Å
573	H	37.9	Very low	48.5	Very low	173 Å²	173	99 Å²	99	80%	0.801	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.1	-177.9	-102.2	-67.5	0	0	0	114.5	N569	N569-H573 PolarHBondContact O-CD2 3.06Å
574	E	36.7	Very low	47.6	Very low	160 Å²	160	101.6 Å²	101.6	75%	0.748	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-21.5	-173.1	-87.6	-171.4	158.5	0	0	116.7	L572	L572-E574 PolarHBondContact O-N 2.87Å; L572-E574 VanDerWaalsContact O-N 3.13Å
575	K	36.2	Very low	47.6	Very low	173 Å²	173	102.5 Å²	102.5	75%	0.752	54%	0.54	S	S	*	.			trans	-145.4	87.6	179.5	-83.2	-175.1	176.4	172.5	0	113.7	S577	K575-S577 PolarHBondContact O-N 2.84Å
576	K	31.8	Very low	47.9	Very low	225 Å²	225	102.5 Å²	102.5	98%	0.978	54%	0.54	S	S	*	.			trans	-76.4	25.3	155.6	-120.9	-179.7	-173.5	179	0	112.3
577	S	28.8	Very low	48.1	Very low	70 Å²	70	102.4 Å²	102.4	49%	0.49	54%	0.54	S	S	.	.			trans	-131.2	136	-177.2	55.7	0	0	0	0	111.7	K575	K575-S577 PolarHBondContact O-N 2.84Å
578	T	31.4	Very low	49.1	Very low	119 Å²	119	98.9 Å²	98.9	73%	0.73	52%	0.521	S	S	*	.			trans	74.4	96.8	173.6	45.7	0	0	0	0	117.6	N580	T578-N580 PolarHBondContact O-N 2.83Å; T578-N580 VanDerWaalsContact O-N 3.12Å
579	Y	31.4	Very low	50	Low	232 Å²	232	97.7 Å²	97.7	91%	0.91	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.1	106.4	153	-68.5	-97	0	0	0	109.8
580	N	33.3	Very low	51.6	Low	167 Å²	167	92 Å²	92	89%	0.893	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	153.2	0.5	151.7	-79.7	-6.3	0	0	0	115.3	T578	T578-N580 PolarHBondContact O-N 2.83Å; T578-N580 VanDerWaalsContact O-N 3.12Å
581	S	34.4	Very low	53.3	Low	85 Å²	85	87.2 Å²	87.2	59%	0.594	45%	0.451	S	S	*	.			trans	-87.1	123.8	178	62.7	0	0	0	0	112
582	S	46.9	Very low	54.4	Low	52 Å²	52	86.5 Å²	86.5	36%	0.364	45%	0.451	S	S	.	.			trans	-35.4	129.9	172.2	31.4	0	0	0	0	113.8	S605	S582-S605 VanDerWaalsContact CB-OG 3.23Å; S582-S605 WeakPolarHBondContact CB-OG 3.08Å; S582-S605 WeakPolarHBondContact OG-CB 3Å; S582-S605 PolarHBondContact OG-O 2.69Å; S582-S605 PolarHBondContact OG-OG 3.17Å
583	S	48.3	Very low	55.9	Low	100 Å²	100	83.8 Å²	83.8	70%	0.699	44%	0.437	S	S	*	.			trans	-54.1	133.4	178.4	-59.9	0	0	0	0	110.5
584	P	57.2	Low	58	Low	53 Å²	53	79.7 Å²	79.7	34%	0.344	42%	0.418	S	S	.	.			trans	-61	144.5	179.1	26.1	-34.4	0	0	0	111.3	Y602	P584-Y602 HydrophobicContact CB-CD2 4.1Å; P584-Y602 HydrophobicContact CB-CE1 4.24Å; P584-Y602 HydrophobicContact CB-CE2 3.22Å; P584-Y602 WeakPolarHBondContact CB-OH 3.45Å; P584-Y602 HydrophobicContact CG-CE2 3.61Å; P584-Y602 WeakPolarHBondContact CG-OH 3.31Å
585	V	74.1	Confident	59.9	Low	20 Å²	20	73 Å²	73	12%	0.121	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120	-172.9	-175.9	0	0	0	0	109.6	V587 I603	V585-V587 HydrophobicContact CG1-CG2 3.98Å; V585-I603 HydrophobicContact CB-CB 4.44Å; V585-I603 PolarHBondContact N-O 2.81Å; V585-I603 PolarHBondContact O-N 2.93Å
586	L	80.6	Confident	61.8	Low	17 Å²	17	66.2 Å²	66.2	9%	0.089	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.3	168	-70.2	-179	0	0	0	110.1	A254 A258 I566 L568 V600 Y601 Y602 I624	A254-L586 HydrophobicContact CB-CB 3.45Å; A254-L586 VanDerWaalsContact CB-CB 3.45Å; A254-L586 HydrophobicContact CB-CD1 4.49Å; A254-L586 WeakPolarHBondContact CB-O 3.33Å; A258-L586 HydrophobicContact CB-CD1 4.18Å; I566-L586 HydrophobicContact CB-CD1 4.26Å; I566-L586 HydrophobicContact CG1-CD1 4.27Å; I566-L586 HydrophobicContact CG2-CD1 4.42Å; L568-L586 HydrophobicContact CD2-CD2 4.4Å; L586-V600 HydrophobicContact CD2-CG1 4.39Å; L586-Y601 CarbonylContact C-O 3.54Å; L586-Y601 WeakPolarHBondContact CA-O 3.35Å; L586-Y602 HydrophobicContact CD2-CD2 4.07Å; L586-I624 HydrophobicContact CD2-CD1 3.5Å; L586-I624 VanDerWaalsContact CD2-CD1 3.5Å
587	V	82.5	Confident	64.2	Low	10 Å²	10	56.1 Å²	56.1	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	108.8	-178.9	-177.5	0	0	0	0	110.5	L208 V585 Y601 I603	L208-V587 HydrophobicContact CD1-CG1 4.31Å; L208-V587 HydrophobicContact CD2-CG1 3.85Å; V585-V587 HydrophobicContact CG1-CG2 3.98Å; V587-Y601 PolarHBondContact N-O 3.07Å; V587-Y601 PolarHBondContact O-N 2.91Å; V587-I603 HydrophobicContact CB-CD1 4.26Å; V587-I603 HydrophobicContact CG2-CD1 3.48Å; V587-I603 VanDerWaalsContact CG2-CD1 3.48Å; V587-I603 HydrophobicContact CG2-CG1 4Å
588	P	87	Confident	66.9	Low	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	148.6	170.1	25.8	-27.6	0	0	0	111.9	H239 A252 V260 L598 L599	H239-P588 WeakPolarHBondContact CB-O 3.5Å; A252-P588 HydrophobicContact CB-CB 3.94Å; A252-P588 HydrophobicContact CB-CG 4.1Å; V260-P588 HydrophobicContact CG1-CB 4.05Å; V260-P588 HydrophobicContact CG1-CG 4.47Å; P588-L598 HydrophobicContact CB-CD1 3.86Å; P588-L598 HydrophobicContact CB-CD2 4.28Å; P588-L598 HydrophobicContact CB-CG 4.31Å; P588-L599 CarbonylContact C-O 3.59Å; P588-L599 WeakPolarHBondContact CA-O 3.46Å
589	F	86.2	Confident	69.6	Low	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	119.4	-179.6	-174.5	-89.7	0	0	0	112	P205 C207 L208 H239 L591 L599 Y601 P666	P205-F589 HydrophobicContact CB-CE1 4.17Å; P205-F589 HydrophobicContact CB-CE2 3.98Å; P205-F589 HydrophobicContact CB-CZ 3.77Å; P205-F589 HydrophobicContact CG-CD1 3.87Å; P205-F589 HydrophobicContact CG-CD2 4.2Å; P205-F589 HydrophobicContact CG-CE1 3.7Å; P205-F589 HydrophobicContact CG-CE2 4.07Å; P205-F589 HydrophobicContact CG-CG 4.1Å; P205-F589 HydrophobicContact CG-CZ 3.79Å; C207-F589 VanDerWaalsContact SG-CE2 3.56Å; L208-F589 HydrophobicContact CD1-CD2 4.33Å; H239-F589 AromaticContact CD2-CD2 3.5Å; H239-F589 VanDerWaalsContact CD2-CD2 3.5Å; H239-F589 WeakPolarHBondContact CD2-CD2 3.21Å; H239-F589 AromaticContact NE2-CD2 3.28Å; H239-F589 VanDerWaalsContact NE2-CD2 3.28Å; H239-F589 WeakPolarHBondContact NE2-CD2 3.48Å; H239-F589 AromaticContact NE2-CE2 3.39Å; H239-F589 WeakPolarHBondContact NE2-CE2 3.46Å; H239-F589 AromaticContact NE2-CG 3.95Å; F589-L591 HydrophobicContact CD1-CD2 4.45Å; F589-L591 HydrophobicContact CE1-CD2 4.12Å; F589-L599 HydrophobicContact CB-CB 4.34Å; F589-L599 HydrophobicContact CD1-CD1 4.2Å; F589-L599 PolarHBondContact N-O 3.13Å; F589-L599 PolarHBondContact O-N 3.17Å; F589-Y601 HydrophobicContact CB-CD2 4.27Å; F589-Y601 HydrophobicContact CB-CE2 3.96Å; F589-P666 HydrophobicContact CE2-CG 4.17Å; F589-P666 HydrophobicContact CZ-CG 3.86Å
590	F	84.7	Confident	72.3	Confident	5 Å²	5	36 Å²	36	2%	0.022	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.5	172.7	-69.3	-68.5	0	0	0	110.8	H239 R250 A252 I262 L598 V629	H239-F590 HydrophobicContact CB-CD2 4.43Å; H239-F590 PolarHBondContact CE1-N 2.84Å; H239-F590 PolarHBondContact CE1-O 3.42Å; H239-F590 VanDerWaalsContact CE1-O 3.3Å; H239-F590 WeakPolarHBondContact ND1-CB 3.25Å; H239-F590 AromaticContact ND1-CD2 3.44Å; H239-F590 WeakPolarHBondContact ND1-CD2 3.45Å; H239-F590 AromaticContact ND1-CG 3.86Å; H239-F590 PolarHBondContact ND1-N 3.12Å; R250-F590 HydrophobicContact CB-CZ 4.46Å; A252-F590 HydrophobicContact CB-CD2 4.49Å; A252-F590 HydrophobicContact CB-CE2 3.55Å; A252-F590 HydrophobicContact CB-CZ 3.79Å; I262-F590 HydrophobicContact CG2-CZ 4.13Å; F590-L598 HydrophobicContact CD1-CB 4.44Å; F590-L598 HydrophobicContact CD1-CD1 3.74Å; F590-L598 HydrophobicContact CD2-CD1 4.29Å; F590-L598 HydrophobicContact CE1-CB 4.24Å; F590-L598 HydrophobicContact CE1-CD1 3.65Å; F590-L598 HydrophobicContact CE1-CG 4.48Å; F590-L598 HydrophobicContact CE2-CD1 4.18Å; F590-L598 HydrophobicContact CG-CD1 4.06Å; F590-L598 HydrophobicContact CZ-CD1 3.86Å; F590-V629 HydrophobicContact CE1-CG1 4.12Å
591	L	78.4	Confident	74.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.173	C	C	.	.			trans	-73.9	131.9	174.5	-73.7	172.7	0	0	0	110.8	F589 D593 E594 P595 L597 L599 L661 T662	F589-L591 HydrophobicContact CD1-CD2 4.45Å; F589-L591 HydrophobicContact CE1-CD2 4.12Å; L591-D593 VanDerWaalsContact C-N 3.29Å; L591-D593 PolarHBondContact O-N 3.35Å; L591-E594 HydrophobicContact CB-CB 4.08Å; L591-E594 HydrophobicContact CD1-CB 4.26Å; L591-E594 CarbonylContact O-C 3.53Å; L591-E594 VanDerWaalsContact O-C 3.27Å; L591-E594 PolarHBondContact O-N 3.43Å; L591-P595 WeakPolarHBondContact O-CA 3.38Å; L591-L597 HydrophobicContact CD1-CB 4.13Å; L591-L597 HydrophobicContact CD1-CD1 4.18Å; L591-L597 PolarHBondContact N-O 3.01Å; L591-L599 HydrophobicContact CD1-CD1 3.92Å; L591-L599 HydrophobicContact CD1-CG 4.37Å; L591-L599 HydrophobicContact CD2-CD1 3.5Å; L591-L599 HydrophobicContact CG-CD1 3.61Å; L591-L599 HydrophobicContact CG-CG 4.25Å; L591-L661 HydrophobicContact CD1-CB 3.97Å; L591-L661 HydrophobicContact CD1-CD1 4.04Å; L591-L661 HydrophobicContact CD2-CB 3.89Å; L591-T662 HydrophobicContact CD2-CG2 4.05Å
592	P	71.1	Confident	76.9	Confident	46 Å²	46	24.8 Å²	24.8	30%	0.299	15%	0.148	S	C	.	.	S	Bend	trans	-63.6	-36.1	179.6	-12.3	20.2	0	0	0	113.3	P666	P592-P666 HydrophobicContact CB-CB 4.19Å; P592-P666 HydrophobicContact CG-CB 3.67Å; P592-P666 HydrophobicContact CG-CG 3.81Å
593	D	75.2	Confident	78.2	Confident	50 Å²	50	24.2 Å²	24.2	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	-86.5	-19.8	-177.3	-76.2	-30.2	0	0	0	112.4	L591 L661 R677	L591-D593 VanDerWaalsContact C-N 3.29Å; L591-D593 PolarHBondContact O-N 3.35Å; D593-L661 HydrophobicContact CB-CD2 3.5Å; D593-L661 VanDerWaalsContact CB-CD2 3.5Å; D593-R677 IonicContact OD1-CZ 2.89Å; D593-R677 IonicContact OD1-NH1 3.91Å; D593-R677 PolarHBondContact OD1-NH1 2.89Å; D593-R677 IonicContact OD2-NH1 3.85Å; D593-R677 PolarHBondContact OD2-NH1 3.16Å
594	E	80.9	Confident	79	Confident	88 Å²	88	23.9 Å²	23.9	41%	0.411	13%	0.126	S	C	.	.			trans	-136.6	71.9	-178	-67.5	-68.9	174.7	0	0	108.9	L591 D596 L597 L661	L591-E594 HydrophobicContact CB-CB 4.08Å; L591-E594 HydrophobicContact CD1-CB 4.26Å; L591-E594 CarbonylContact O-C 3.53Å; L591-E594 VanDerWaalsContact O-C 3.27Å; L591-E594 PolarHBondContact O-N 3.43Å; E594-D596 PolarHBondContact O-N 3.34Å; E594-D596 VanDerWaalsContact O-N 3.12Å; E594-L597 HydrophobicContact CB-CB 4.35Å; E594-L597 HydrophobicContact CB-CD1 3.89Å; E594-L597 HydrophobicContact CB-CG 4.12Å; E594-L597 HydrophobicContact CG-CD1 4.33Å; E594-L597 PolarHBondContact O-N 3Å; E594-L661 HydrophobicContact CG-CD1 3.96Å; E594-L661 HydrophobicContact CG-CD2 3.85Å
595	P	77.3	Confident	78.7	Confident	19 Å²	19	22.5 Å²	22.5	12%	0.123	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.9	-167.1	28.3	-36.6	0	0	0	115.1	V242 P244 L591 L680	V242-P595 WeakPolarHBondContact O-CB 3.16Å; P244-P595 HydrophobicContact CB-CG 3.81Å; P244-P595 HydrophobicContact CG-CG 3.86Å; L591-P595 WeakPolarHBondContact O-CA 3.38Å; P595-L680 HydrophobicContact CB-CD1 4.42Å; P595-L680 HydrophobicContact CG-CD1 4.16Å
596	D	77.1	Confident	77.3	Confident	31 Å²	31	25.8 Å²	25.8	17%	0.166	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.6	171.2	-72.6	-33	0	0	0	113.1	P244 R250 E594 V629 T630	P244-D596 WeakPolarHBondContact CD-OD1 3.25Å; P244-D596 WeakPolarHBondContact CG-OD1 3.25Å; P244-D596 WeakPolarHBondContact CG-OD2 3.46Å; R250-D596 IonicContact CZ-OD1 2.67Å; R250-D596 IonicContact NH1-OD1 3.19Å; R250-D596 PolarHBondContact NH1-OD1 2.5Å; R250-D596 IonicContact NH2-OD1 2.64Å; R250-D596 PolarHBondContact NH2-OD1 2.77Å; E594-D596 PolarHBondContact O-N 3.34Å; E594-D596 VanDerWaalsContact O-N 3.12Å; D596-V629 HydrophobicContact CB-CG2 4.34Å; D596-V629 VanDerWaalsContact O-CG2 3.25Å; D596-V629 WeakPolarHBondContact O-CG2 3.47Å; D596-V629 PolarHBondContact O-N 3.46Å; D596-T630 HydrophobicContact CB-CG2 3.86Å; D596-T630 WeakPolarHBondContact OD1-CG2 3.18Å
597	L	82.3	Confident	75.3	Confident	12 Å²	12	32.4 Å²	32.4	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.6	174.6	-63.9	-176.5	0	0	0	111.2	L591 E594 D628 I635 F653	L591-L597 HydrophobicContact CD1-CB 4.13Å; L591-L597 HydrophobicContact CD1-CD1 4.18Å; L591-L597 PolarHBondContact N-O 3.01Å; E594-L597 HydrophobicContact CB-CB 4.35Å; E594-L597 HydrophobicContact CB-CD1 3.89Å; E594-L597 HydrophobicContact CB-CG 4.12Å; E594-L597 HydrophobicContact CG-CD1 4.33Å; E594-L597 PolarHBondContact O-N 3Å; L597-D628 HydrophobicContact CD2-CB 4.15Å; L597-I635 HydrophobicContact CD2-CD1 3.55Å; L597-F653 HydrophobicContact CD1-CE1 3.99Å; L597-F653 HydrophobicContact CD1-CE2 3.62Å; L597-F653 HydrophobicContact CD1-CZ 3.25Å
598	L	84.6	Confident	72.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119	171.7	-171.3	69.1	0	0	0	110.3	A252 V260 I262 P588 F590 I626 I627 V629	A252-L598 HydrophobicContact CB-CD1 4.04Å; A252-L598 HydrophobicContact CB-CD2 4.41Å; V260-L598 HydrophobicContact CG1-CD2 3.61Å; I262-L598 HydrophobicContact CD1-CD2 3.63Å; I262-L598 HydrophobicContact CG1-CD2 4.03Å; P588-L598 HydrophobicContact CB-CD1 3.86Å; P588-L598 HydrophobicContact CB-CD2 4.28Å; P588-L598 HydrophobicContact CB-CG 4.31Å; F590-L598 HydrophobicContact CD1-CB 4.44Å; F590-L598 HydrophobicContact CD1-CD1 3.74Å; F590-L598 HydrophobicContact CD2-CD1 4.29Å; F590-L598 HydrophobicContact CE1-CB 4.24Å; F590-L598 HydrophobicContact CE1-CD1 3.65Å; F590-L598 HydrophobicContact CE1-CG 4.48Å; F590-L598 HydrophobicContact CE2-CD1 4.18Å; F590-L598 HydrophobicContact CG-CD1 4.06Å; F590-L598 HydrophobicContact CZ-CD1 3.86Å; L598-I626 WeakPolarHBondContact O-CA 3.36Å; L598-I627 HydrophobicContact CB-CB 4.37Å; L598-I627 PolarHBondContact N-O 3.04Å; L598-I627 PolarHBondContact O-N 2.91Å; L598-V629 HydrophobicContact CB-CG1 3.68Å
599	L	88.3	Confident	70.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.4	173.1	-62.8	169.2	0	0	0	108.8	P588 F589 L591 Y601 L623 I626 L658 T662	P588-L599 CarbonylContact C-O 3.59Å; P588-L599 WeakPolarHBondContact CA-O 3.46Å; F589-L599 HydrophobicContact CB-CB 4.34Å; F589-L599 HydrophobicContact CD1-CD1 4.2Å; F589-L599 PolarHBondContact N-O 3.13Å; F589-L599 PolarHBondContact O-N 3.17Å; L591-L599 HydrophobicContact CD1-CD1 3.92Å; L591-L599 HydrophobicContact CD1-CG 4.37Å; L591-L599 HydrophobicContact CD2-CD1 3.5Å; L591-L599 HydrophobicContact CG-CD1 3.61Å; L591-L599 HydrophobicContact CG-CG 4.25Å; L599-Y601 HydrophobicContact CB-CD2 4.38Å; L599-Y601 HydrophobicContact CB-CE2 3.57Å; L599-Y601 HydrophobicContact CD1-CE2 4.43Å; L599-Y601 WeakPolarHBondContact CD1-OH 3.24Å; L599-L623 HydrophobicContact CB-CD1 3.86Å; L599-L623 HydrophobicContact CD2-CD1 3.84Å; L599-L623 HydrophobicContact CD2-CD2 4.24Å; L599-L623 HydrophobicContact CG-CD1 4.42Å; L599-I626 HydrophobicContact CD2-CB 4.23Å; L599-I626 HydrophobicContact CD2-CD1 4.02Å; L599-I626 HydrophobicContact CD2-CG1 3.69Å; L599-I626 HydrophobicContact CD2-CG2 3.93Å; L599-L658 HydrophobicContact CD1-CD1 4.29Å; L599-L658 HydrophobicContact CD2-CD1 3.9Å; L599-T662 HydrophobicContact CD1-CG2 3.67Å
600	V	87	Confident	67.8	Low	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.4	177.7	-173.3	0	0	0	0	108.9	V260 I566 L586 I624 E625 I627	V260-V600 HydrophobicContact CG2-CG1 3.91Å; V260-V600 HydrophobicContact CG2-CG2 4.11Å; I566-V600 HydrophobicContact CD1-CG1 4.38Å; I566-V600 HydrophobicContact CD1-CG2 4.34Å; I566-V600 HydrophobicContact CG1-CG1 4.48Å; L586-V600 HydrophobicContact CD2-CG1 4.39Å; V600-I624 HydrophobicContact CB-CG1 4.31Å; V600-I624 HydrophobicContact CG1-CD1 4.05Å; V600-I624 HydrophobicContact CG1-CG1 4.05Å; V600-I624 WeakPolarHBondContact O-CG1 3.22Å; V600-I624 PolarHBondContact O-N 3.37Å; V600-E625 HydrophobicContact CB-CB 3.94Å; V600-E625 HydrophobicContact CG2-CB 4.21Å; V600-E625 PolarHBondContact N-O 3.47Å; V600-E625 PolarHBondContact O-N 3.18Å; V600-I627 HydrophobicContact CG2-CD1 3.99Å
601	Y	84.2	Confident	65.4	Low	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.1	177.7	-64.3	-90	0	0	0	111.2	F203 V204 P205 L208 L586 V587 F589 L599 V621 N622 L623	F203-Y601 WeakPolarHBondContact O-CE1 3.21Å; F203-Y601 PolarHBondContact O-OH 3.44Å; V204-Y601 HydrophobicContact CG2-CD1 4.4Å; V204-Y601 HydrophobicContact CG2-CE1 4.11Å; P205-Y601 VanDerWaalsContact CD-CZ 3.45Å; P205-Y601 WeakPolarHBondContact CD-OH 3.5Å; P205-Y601 HydrophobicContact CG-CE2 4.21Å; L208-Y601 HydrophobicContact CD1-CD2 3.7Å; L208-Y601 HydrophobicContact CD1-CE2 3.98Å; L208-Y601 HydrophobicContact CD1-CG 4.14Å; L586-Y601 CarbonylContact C-O 3.54Å; L586-Y601 WeakPolarHBondContact CA-O 3.35Å; V587-Y601 PolarHBondContact N-O 3.07Å; V587-Y601 PolarHBondContact O-N 2.91Å; F589-Y601 HydrophobicContact CB-CD2 4.27Å; F589-Y601 HydrophobicContact CB-CE2 3.96Å; L599-Y601 HydrophobicContact CB-CD2 4.38Å; L599-Y601 HydrophobicContact CB-CE2 3.57Å; L599-Y601 HydrophobicContact CD1-CE2 4.43Å; L599-Y601 WeakPolarHBondContact CD1-OH 3.24Å; Y601-V621 HydrophobicContact CD1-CG1 3.83Å; Y601-V621 HydrophobicContact CG-CG1 4.22Å; Y601-N622 CarbonylContact C-O 3.42Å; Y601-N622 VanDerWaalsContact CA-O 3.24Å; Y601-N622 WeakPolarHBondContact CA-O 3.37Å; Y601-L623 HydrophobicContact CD1-CB 3.99Å; Y601-L623 HydrophobicContact CD1-CD1 4.21Å; Y601-L623 HydrophobicContact CE1-CB 3.71Å; Y601-L623 HydrophobicContact CE1-CD1 3.82Å; Y601-L623 HydrophobicContact CE1-CG 4.33Å; Y601-L623 HydrophobicContact CE2-CD1 4.14Å
602	Y	80.8	Confident	63	Low	15 Å²	15	64.7 Å²	64.7	6%	0.059	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.2	169.5	177.7	-93.6	0	0	0	108.9	L568 M571 P584 L586 K604 V621 N622	L568-Y602 HydrophobicContact CD2-CD2 3.91Å; L568-Y602 HydrophobicContact CD2-CE2 4.01Å; M571-Y602 HydrophobicContact CE-CD1 3.61Å; M571-Y602 HydrophobicContact CE-CE1 3.94Å; M571-Y602 HydrophobicContact CE-CG 4.13Å; P584-Y602 HydrophobicContact CB-CD2 4.1Å; P584-Y602 HydrophobicContact CB-CE1 4.24Å; P584-Y602 HydrophobicContact CB-CE2 3.22Å; P584-Y602 WeakPolarHBondContact CB-OH 3.45Å; P584-Y602 HydrophobicContact CG-CE2 3.61Å; P584-Y602 WeakPolarHBondContact CG-OH 3.31Å; L586-Y602 HydrophobicContact CD2-CD2 4.07Å; Y602-K604 HydrophobicContact CD1-CG 4.22Å; Y602-K604 HydrophobicContact CE1-CD 4.32Å; Y602-K604 HydrophobicContact CE1-CG 3.46Å; Y602-K604 VanDerWaalsContact CE1-CG 3.46Å; Y602-V621 WeakPolarHBondContact O-CA 3.43Å; Y602-N622 PolarHBondContact N-O 3.34Å; Y602-N622 PolarHBondContact O-N 3.37Å
603	I	74.1	Confident	61.1	Low	41 Å²	41	70.7 Å²	70.7	21%	0.21	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.7	179	-51.5	-170.5	0	0	0	109.3	V585 V587 S605 A620 V621	V585-I603 HydrophobicContact CB-CB 4.44Å; V585-I603 PolarHBondContact N-O 2.81Å; V585-I603 PolarHBondContact O-N 2.93Å; V587-I603 HydrophobicContact CB-CD1 4.26Å; V587-I603 HydrophobicContact CG2-CD1 3.48Å; V587-I603 VanDerWaalsContact CG2-CD1 3.48Å; V587-I603 HydrophobicContact CG2-CG1 4Å; I603-S605 PolarHBondContact O-N 2.87Å; I603-A620 CarbonylContact C-O 3.51Å; I603-A620 VanDerWaalsContact CA-O 3.25Å; I603-A620 WeakPolarHBondContact CA-O 3.12Å; I603-V621 HydrophobicContact CD1-CG2 4.15Å; I603-V621 HydrophobicContact CG1-CB 4.49Å; I603-V621 HydrophobicContact CG1-CG1 4.13Å; I603-V621 HydrophobicContact CG1-CG2 3.99Å; I603-V621 HydrophobicContact CG2-CG2 4.15Å
604	K	64.6	Low	59	Low	93 Å²	93	73.3 Å²	73.3	40%	0.404	39%	0.385	S	S	.	.			trans	-76.3	112.9	170.5	-76.6	-169.9	174.5	177.4	0	108.7	Y602 S606 A620	Y602-K604 HydrophobicContact CD1-CG 4.22Å; Y602-K604 HydrophobicContact CE1-CD 4.32Å; Y602-K604 HydrophobicContact CE1-CG 3.46Å; Y602-K604 VanDerWaalsContact CE1-CG 3.46Å; K604-S606 PolarHBondContact O-N 3.26Å; K604-A620 PolarHBondContact N-O 3.03Å
605	S	51.9	Low	56.7	Low	24 Å²	24	74.9 Å²	74.9	17%	0.168	41%	0.406	C	S	.	.			trans	-80.6	89	167.3	-178.7	0	0	0	0	107.5	E178 S582 I603	E178-S605 PolarHBondContact OE1-OG 3.44Å; S582-S605 VanDerWaalsContact CB-OG 3.23Å; S582-S605 WeakPolarHBondContact CB-OG 3.08Å; S582-S605 WeakPolarHBondContact OG-CB 3Å; S582-S605 PolarHBondContact OG-O 2.69Å; S582-S605 PolarHBondContact OG-OG 3.17Å; I603-S605 PolarHBondContact O-N 2.87Å
606	S	44	Very low	54.7	Low	89 Å²	89	82.2 Å²	82.2	62%	0.622	44%	0.438	S	S	*	.			trans	-122.4	90	168.2	62	0	0	0	0	108.8	K604	K604-S606 PolarHBondContact O-N 3.26Å
607	L	38.8	Very low	52.6	Low	155 Å²	155	86.8 Å²	86.8	81%	0.812	46%	0.459	S	S	*	.			trans	-107	46.5	166.6	-109.2	152.1	0	0	0	108.8	S609	L607-S609 VanDerWaalsContact C-N 3.34Å; L607-S609 PolarHBondContact O-N 2.01Å; L607-S609 VanDerWaalsContact O-N 3.08Å
608	D	32.7	Very low	50.4	Low	119 Å²	119	88.5 Å²	88.5	64%	0.636	47%	0.471	S	S	*	.			trans	-76.3	96.4	163.2	-94.7	-25	0	0	0	107.6	N610	D608-N610 PolarHBondContact O-N 3.41Å
609	S	35.2	Very low	48.7	Very low	106 Å²	106	92 Å²	92	74%	0.741	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	16.7	-178.1	40.5	0	0	0	0	115	L607	L607-S609 VanDerWaalsContact C-N 3.34Å; L607-S609 PolarHBondContact O-N 2.01Å; L607-S609 VanDerWaalsContact O-N 3.08Å
610	N	31.2	Very low	47.5	Very low	138 Å²	138	93.7 Å²	93.7	74%	0.738	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	5.1	-173.8	-77.1	-28.6	0	0	0	115.5	D608	D608-N610 PolarHBondContact O-N 3.41Å
611	L	33	Very low	46.8	Very low	133 Å²	133	94.4 Å²	94.4	70%	0.696	51%	0.508	S	S	*	.			trans	-101.1	89	172.2	-76.3	164.8	0	0	0	110.4	E613	L611-E613 PolarHBondContact O-N 2.78Å
612	Y	29.9	Very low	46.4	Very low	199 Å²	199	96.5 Å²	96.5	78%	0.78	52%	0.519	S	S	*	.			trans	-57.6	128.5	160	-82	-97.8	0	0	0	109.5
613	E	29.7	Very low	46.6	Very low	172 Å²	172	97 Å²	97	80%	0.804	52%	0.523	S	S	*	.			trans	67.5	70.7	148.9	-59.7	178.3	161.3	0	0	118.1	L611	L611-E613 PolarHBondContact O-N 2.78Å
614	T	31.2	Very low	47	Very low	105 Å²	105	97 Å²	97	64%	0.644	52%	0.523	S	S	*	.			trans	-141.1	136.8	140.6	55	0	0	0	0	111.9	E616	T614-E616 PolarHBondContact O-N 3.48Å
615	S	33	Very low	48	Very low	122 Å²	122	93.4 Å²	93.4	85%	0.853	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	17.1	-172	56.9	0	0	0	0	116.3
616	E	35.3	Very low	49.6	Very low	172 Å²	172	92.4 Å²	92.4	80%	0.804	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-3.6	-177	-67.9	-167.5	160.5	0	0	114	T614 C618	T614-E616 PolarHBondContact O-N 3.48Å; E616-C618 PolarHBondContact O-N 2.91Å
617	E	33.1	Very low	51.2	Low	127 Å²	127	88.2 Å²	88.2	59%	0.593	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-4.1	178.3	-69.9	-176.6	149	0	0	114.8	N619	E617-N619 PolarHBondContact O-N 2.93Å
618	C	35.8	Very low	52.8	Low	49 Å²	49	82.3 Å²	82.3	33%	0.331	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.5	-171.8	-87	0	0	0	0	116.8	E616	E616-C618 PolarHBondContact O-N 2.91Å
619	N	49.3	Very low	54.6	Low	72 Å²	72	76.9 Å²	76.9	39%	0.385	41%	0.411	S	S	.	.			trans	-119	52.4	176.4	-70.4	-23.6	0	0	0	112.3	T200 E617 V621 N622	T200-N619 PolarHBondContact OG1-OD1 3.25Å; E617-N619 PolarHBondContact O-N 2.93Å; N619-V621 PolarHBondContact O-N 2.66Å; N619-N622 PolarHBondContact O-ND2 3.48Å
620	A	63.4	Low	56	Low	36 Å²	36	72.8 Å²	72.8	30%	0.298	38%	0.382	S	S	.	.	S	Bend	trans	-61.7	-25.6	174.6	0	0	0	0	0	113	I603 K604	I603-A620 CarbonylContact C-O 3.51Å; I603-A620 VanDerWaalsContact CA-O 3.25Å; I603-A620 WeakPolarHBondContact CA-O 3.12Å; K604-A620 PolarHBondContact N-O 3.03Å
621	V	71.5	Confident	57.3	Low	15 Å²	15	69 Å²	69	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.4	-177	-175.7	0	0	0	0	110.5	V204 Y601 Y602 I603 N619	V204-V621 HydrophobicContact CG1-CB 4.31Å; V204-V621 HydrophobicContact CG1-CG1 3.96Å; V204-V621 HydrophobicContact CG2-CB 4.16Å; V204-V621 HydrophobicContact CG2-CG1 3.89Å; Y601-V621 HydrophobicContact CD1-CG1 3.83Å; Y601-V621 HydrophobicContact CG-CG1 4.22Å; Y602-V621 WeakPolarHBondContact O-CA 3.43Å; I603-V621 HydrophobicContact CD1-CG2 4.15Å; I603-V621 HydrophobicContact CG1-CB 4.49Å; I603-V621 HydrophobicContact CG1-CG1 4.13Å; I603-V621 HydrophobicContact CG1-CG2 3.99Å; I603-V621 HydrophobicContact CG2-CG2 4.15Å; N619-V621 PolarHBondContact O-N 2.66Å
622	N	76.8	Confident	58.6	Low	44 Å²	44	62.9 Å²	62.9	24%	0.235	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.7	-179.7	-64.8	-54.1	0	0	0	111	M571 Y601 Y602 N619 I624	M571-N622 HydrophobicContact CE-CB 4.49Å; Y601-N622 CarbonylContact C-O 3.42Å; Y601-N622 VanDerWaalsContact CA-O 3.24Å; Y601-N622 WeakPolarHBondContact CA-O 3.37Å; Y602-N622 PolarHBondContact N-O 3.34Å; Y602-N622 PolarHBondContact O-N 3.37Å; N619-N622 PolarHBondContact O-ND2 3.48Å; N622-I624 PolarHBondContact O-N 2.96Å
623	L	83.8	Confident	60.2	Low	26 Å²	26	59.2 Å²	59.2	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.1	168.2	179.9	67.8	0	0	0	108	F203 L599 Y601 E625 I626 I637 L658	F203-L623 HydrophobicContact CB-CD2 4.37Å; L599-L623 HydrophobicContact CB-CD1 3.86Å; L599-L623 HydrophobicContact CD2-CD1 3.84Å; L599-L623 HydrophobicContact CD2-CD2 4.24Å; L599-L623 HydrophobicContact CG-CD1 4.42Å; Y601-L623 HydrophobicContact CD1-CB 3.99Å; Y601-L623 HydrophobicContact CD1-CD1 4.21Å; Y601-L623 HydrophobicContact CE1-CB 3.71Å; Y601-L623 HydrophobicContact CE1-CD1 3.82Å; Y601-L623 HydrophobicContact CE1-CG 4.33Å; Y601-L623 HydrophobicContact CE2-CD1 4.14Å; L623-E625 WeakPolarHBondContact CD1-O 3.39Å; L623-I626 HydrophobicContact CD2-CD1 4.09Å; L623-I626 HydrophobicContact CD2-CG1 4.08Å; L623-I637 HydrophobicContact CD2-CG2 4.47Å; L623-I637 HydrophobicContact CG-CD1 4.11Å; L623-I637 WeakPolarHBondContact O-CD1 3.42Å; L623-L658 HydrophobicContact CD2-CD2 3.78Å
624	I	83.6	Confident	62.3	Low	42 Å²	42	52.9 Å²	52.9	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-23.9	-177.4	58.4	159.9	0	0	0	113.1	I566 M571 L586 V600 N622 I637	I566-I624 HydrophobicContact CG2-CD1 3.51Å; M571-I624 HydrophobicContact CE-CG2 4.22Å; L586-I624 HydrophobicContact CD2-CD1 3.5Å; L586-I624 VanDerWaalsContact CD2-CD1 3.5Å; V600-I624 HydrophobicContact CB-CG1 4.31Å; V600-I624 HydrophobicContact CG1-CD1 4.05Å; V600-I624 HydrophobicContact CG1-CG1 4.05Å; V600-I624 WeakPolarHBondContact O-CG1 3.22Å; V600-I624 PolarHBondContact O-N 3.37Å; N622-I624 PolarHBondContact O-N 2.96Å; I624-I637 WeakPolarHBondContact O-CD1 3.25Å
625	E	85.5	Confident	64.4	Low	17 Å²	17	48.9 Å²	48.9	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.9	177.4	-142.9	166.9	149.4	0	0	113.1	I566 V600 L623 I627 R634	I566-E625 WeakPolarHBondContact CD1-OE2 3.27Å; V600-E625 HydrophobicContact CB-CB 3.94Å; V600-E625 HydrophobicContact CG2-CB 4.21Å; V600-E625 PolarHBondContact N-O 3.47Å; V600-E625 PolarHBondContact O-N 3.18Å; L623-E625 WeakPolarHBondContact CD1-O 3.39Å; E625-I627 HydrophobicContact CG-CG1 4.15Å; E625-R634 VanDerWaalsContact CD-NH1 3.3Å; E625-R634 WeakPolarHBondContact OE1-CD 3.35Å; E625-R634 VanDerWaalsContact OE1-CG 3.24Å; E625-R634 WeakPolarHBondContact OE1-CG 3.38Å; E625-R634 IonicContact OE1-CZ 2.91Å; E625-R634 IonicContact OE1-NE 3.75Å; E625-R634 PolarHBondContact OE1-NE 3.07Å; E625-R634 IonicContact OE1-NH1 3.54Å; E625-R634 PolarHBondContact OE1-NH1 3.49Å; E625-R634 IonicContact OE2-NH1 3.28Å; E625-R634 PolarHBondContact OE2-NH1 2.97Å
626	I	85.4	Confident	66.3	Low	3 Å²	3	47.1 Å²	47.1	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.2	169.1	-48.7	-176.4	0	0	0	106.5	L598 L599 L623 R634 I635 I637 L658	L598-I626 WeakPolarHBondContact O-CA 3.36Å; L599-I626 HydrophobicContact CD2-CB 4.23Å; L599-I626 HydrophobicContact CD2-CD1 4.02Å; L599-I626 HydrophobicContact CD2-CG1 3.69Å; L599-I626 HydrophobicContact CD2-CG2 3.93Å; L623-I626 HydrophobicContact CD2-CD1 4.09Å; L623-I626 HydrophobicContact CD2-CG1 4.08Å; I626-R634 CarbonylContact O-C 3.56Å; I626-R634 WeakPolarHBondContact O-CA 3.22Å; I626-I635 HydrophobicContact CB-CB 4.03Å; I626-I635 HydrophobicContact CG2-CB 4Å; I626-I635 HydrophobicContact CG2-CD1 4.12Å; I626-I635 HydrophobicContact CG2-CG1 4.47Å; I626-I635 PolarHBondContact O-N 3.38Å; I626-I637 HydrophobicContact CD1-CG1 4.41Å; I626-I637 HydrophobicContact CG1-CG1 4.12Å; I626-L658 HydrophobicContact CD1-CD1 4.45Å; I626-L658 HydrophobicContact CD1-CD2 4.04Å
627	I	77.9	Confident	68.2	Low	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.4	-176	-56.9	170.5	0	0	0	108.3	F564 I566 L598 V600 E625 V629	F564-I627 HydrophobicContact CB-CD1 4.08Å; F564-I627 HydrophobicContact CD1-CD1 4.26Å; F564-I627 HydrophobicContact CD1-CG2 4.07Å; F564-I627 HydrophobicContact CD2-CD1 4.37Å; F564-I627 HydrophobicContact CE1-CG2 3.65Å; F564-I627 HydrophobicContact CE2-CG2 4.15Å; F564-I627 HydrophobicContact CG-CD1 3.99Å; F564-I627 HydrophobicContact CG-CG2 4.49Å; F564-I627 HydrophobicContact CZ-CG2 3.69Å; I566-I627 HydrophobicContact CD1-CD1 4.18Å; L598-I627 HydrophobicContact CB-CB 4.37Å; L598-I627 PolarHBondContact N-O 3.04Å; L598-I627 PolarHBondContact O-N 2.91Å; V600-I627 HydrophobicContact CG2-CD1 3.99Å; E625-I627 HydrophobicContact CG-CG1 4.15Å; I627-V629 PolarHBondContact O-N 3.3Å
628	D	72.5	Confident	69.8	Low	32 Å²	32	36.9 Å²	36.9	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	108.8	162.2	174.7	-5.9	0	0	0	108.2	L597 T630 T631 G632 Y633 I635	L597-D628 HydrophobicContact CD2-CB 4.15Å; D628-T630 PolarHBondContact O-N 2.92Å; D628-T630 WeakPolarHBondContact OD1-CB 3.01Å; D628-T630 PolarHBondContact OD1-N 3.13Å; D628-T630 PolarHBondContact OD1-OG1 3.39Å; D628-T631 WeakPolarHBondContact CB-OG1 2.98Å; D628-T631 PolarHBondContact O-N 2.99Å; D628-T631 PolarHBondContact OD1-N 2.84Å; D628-T631 WeakPolarHBondContact OD2-CG2 3.18Å; D628-T631 PolarHBondContact OD2-OG1 2.83Å; D628-G632 VanDerWaalsContact O-CA 3.26Å; D628-G632 WeakPolarHBondContact O-CA 3.24Å; D628-G632 PolarHBondContact O-N 2.66Å; D628-Y633 PolarHBondContact N-O 3.12Å; D628-Y633 PolarHBondContact O-N 3.13Å; D628-I635 HydrophobicContact CB-CD1 4.39Å
629	V	70.3	Confident	70.9	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.024	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15	-173.8	-52.9	0	0	0	0	112.9	I262 F590 D596 L598 I627	I262-V629 HydrophobicContact CD1-CB 3.95Å; I262-V629 HydrophobicContact CD1-CG1 3.36Å; F590-V629 HydrophobicContact CE1-CG1 4.12Å; D596-V629 HydrophobicContact CB-CG2 4.34Å; D596-V629 VanDerWaalsContact O-CG2 3.25Å; D596-V629 WeakPolarHBondContact O-CG2 3.47Å; D596-V629 PolarHBondContact O-N 3.46Å; L598-V629 HydrophobicContact CB-CG1 3.68Å; I627-V629 PolarHBondContact O-N 3.3Å
630	T	63.2	Low	71	Confident	20 Å²	20	40.4 Å²	40.4	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-32.2	179.7	66.7	0	0	0	0	113.6	T285 T287 D596 D628	T285-T630 VanDerWaalsContact O-CA 3.27Å; T285-T630 WeakPolarHBondContact O-CA 3.47Å; T287-T630 HydrophobicContact CG2-CG2 3.82Å; D596-T630 HydrophobicContact CB-CG2 3.86Å; D596-T630 WeakPolarHBondContact OD1-CG2 3.18Å; D628-T630 PolarHBondContact O-N 2.92Å; D628-T630 WeakPolarHBondContact OD1-CB 3.01Å; D628-T630 PolarHBondContact OD1-N 3.13Å; D628-T630 PolarHBondContact OD1-OG1 3.39Å
631	T	59.8	Low	70.1	Confident	59 Å²	59	45.9 Å²	45.9	36%	0.362	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-11.7	-178.5	59.6	0	0	0	0	112.4	L423 D628 Y633	L423-T631 WeakPolarHBondContact CD2-O 3.39Å; D628-T631 WeakPolarHBondContact CB-OG1 2.98Å; D628-T631 PolarHBondContact O-N 2.99Å; D628-T631 PolarHBondContact OD1-N 2.84Å; D628-T631 WeakPolarHBondContact OD2-CG2 3.18Å; D628-T631 PolarHBondContact OD2-OG1 2.83Å; T631-Y633 PolarHBondContact O-N 3.04Å; T631-Y633 WeakPolarHBondContact OG1-CB 3.44Å; T631-Y633 PolarHBondContact OG1-N 3.36Å
632	G	58.6	Low	68.5	Low	4 Å²	4	52.3 Å²	52.3	4%	0.041	27%	0.27	C	S	.	.			trans	66.6	6.5	-169	0	0	0	0	0	113.4	D628 R634	D628-G632 VanDerWaalsContact O-CA 3.26Å; D628-G632 WeakPolarHBondContact O-CA 3.24Å; D628-G632 PolarHBondContact O-N 2.66Å; G632-R634 PolarHBondContact O-N 3.06Å
633	Y	64.1	Low	66.5	Low	123 Å²	123	54 Å²	54	48%	0.482	29%	0.285	S	S	.	.			trans	-74.9	128	-173.8	-177.5	-105.3	0	0	0	110.8	D628 T631 I635	D628-Y633 PolarHBondContact N-O 3.12Å; D628-Y633 PolarHBondContact O-N 3.13Å; T631-Y633 PolarHBondContact O-N 3.04Å; T631-Y633 WeakPolarHBondContact OG1-CB 3.44Å; T631-Y633 PolarHBondContact OG1-N 3.36Å; Y633-I635 HydrophobicContact CD1-CG1 3.85Å; Y633-I635 HydrophobicContact CE1-CG1 4.16Å; Y633-I635 PolarHBondContact O-N 3.32Å
634	R	73.1	Confident	64.1	Low	39 Å²	39	59.6 Å²	59.6	15%	0.147	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	109.8	172.8	-60	179.6	-173.5	-127.4	-2.1	109.1	D425 D565 E625 I626 G632 P636	D425-R634 WeakPolarHBondContact OD2-CD 3.05Å; D425-R634 IonicContact OD2-NE 3.32Å; D425-R634 PolarHBondContact OD2-NE 2.9Å; D565-R634 PolarHBondContact O-NH1 3.28Å; D565-R634 PolarHBondContact O-NH2 2.71Å; E625-R634 VanDerWaalsContact CD-NH1 3.3Å; E625-R634 WeakPolarHBondContact OE1-CD 3.35Å; E625-R634 VanDerWaalsContact OE1-CG 3.24Å; E625-R634 WeakPolarHBondContact OE1-CG 3.38Å; E625-R634 IonicContact OE1-CZ 2.91Å; E625-R634 IonicContact OE1-NE 3.75Å; E625-R634 PolarHBondContact OE1-NE 3.07Å; E625-R634 IonicContact OE1-NH1 3.54Å; E625-R634 PolarHBondContact OE1-NH1 3.49Å; E625-R634 IonicContact OE2-NH1 3.28Å; E625-R634 PolarHBondContact OE2-NH1 2.97Å; I626-R634 CarbonylContact O-C 3.56Å; I626-R634 WeakPolarHBondContact O-CA 3.22Å; G632-R634 PolarHBondContact O-N 3.06Å; R634-P636 WeakPolarHBondContact O-CD 3.41Å
635	I	75.6	Confident	61.6	Low	21 Å²	21	62.4 Å²	62.4	11%	0.108	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.4	178.7	-58.5	175.2	0	0	0	108.5	L597 I626 D628 Y633 I637 F653	L597-I635 HydrophobicContact CD2-CD1 3.55Å; I626-I635 HydrophobicContact CB-CB 4.03Å; I626-I635 HydrophobicContact CG2-CB 4Å; I626-I635 HydrophobicContact CG2-CD1 4.12Å; I626-I635 HydrophobicContact CG2-CG1 4.47Å; I626-I635 PolarHBondContact O-N 3.38Å; D628-I635 HydrophobicContact CB-CD1 4.39Å; Y633-I635 HydrophobicContact CD1-CG1 3.85Å; Y633-I635 HydrophobicContact CE1-CG1 4.16Å; Y633-I635 PolarHBondContact O-N 3.32Å; I635-I637 PolarHBondContact O-N 2.6Å; I635-F653 HydrophobicContact CD1-CD2 4.22Å; I635-F653 HydrophobicContact CD1-CE2 4.2Å; I635-F653 HydrophobicContact CG2-CD2 4.22Å
636	P	74.1	Confident	59	Low	84 Å²	84	64.3 Å²	64.3	55%	0.545	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.8	133.9	176.6	-25.5	33.8	0	0	0	112.1	R634	R634-P636 WeakPolarHBondContact O-CD 3.41Å
637	I	75.5	Confident	56.4	Low	66 Å²	66	74 Å²	74	34%	0.338	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-69.7	130.4	176.9	-66.2	174.9	0	0	0	109.5	L623 I624 I626 I635 S639	L623-I637 HydrophobicContact CD2-CG2 4.47Å; L623-I637 HydrophobicContact CG-CD1 4.11Å; L623-I637 WeakPolarHBondContact O-CD1 3.42Å; I624-I637 WeakPolarHBondContact O-CD1 3.25Å; I626-I637 HydrophobicContact CD1-CG1 4.41Å; I626-I637 HydrophobicContact CG1-CG1 4.12Å; I635-I637 PolarHBondContact O-N 2.6Å; I637-S639 PolarHBondContact O-N 2.92Å; I637-S639 VanDerWaalsContact O-N 3.14Å
638	P	65.4	Low	54.2	Low	19 Å²	19	80.5 Å²	80.5	12%	0.123	45%	0.449	C	S	.	.			trans	-65.1	115.3	176.2	-17.3	31.2	0	0	0	110.5	F653 P655 L658	P638-F653 HydrophobicContact CG-CB 4.45Å; P638-F653 WeakPolarHBondContact CG-O 3.36Å; P638-P655 HydrophobicContact CB-CG 3.74Å; P638-L658 HydrophobicContact CG-CD2 4.44Å
639	S	58.5	Low	52.4	Low	63 Å²	63	86.4 Å²	86.4	44%	0.441	48%	0.475	S	S	.	.			trans	-74.6	145.1	177.3	58.5	0	0	0	0	111.5	I637 D641	I637-S639 PolarHBondContact O-N 2.92Å; I637-S639 VanDerWaalsContact O-N 3.14Å; S639-D641 PolarHBondContact O-N 2.81Å
640	K	52.4	Low	50.6	Low	132 Å²	132	91.5 Å²	91.5	57%	0.574	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.9	-176.9	-103.4	179.6	177.8	174.4	0	113.9	T200	T200-K640 PolarHBondContact O-NZ 3.1Å
641	D	43.8	Very low	49.7	Very low	150 Å²	150	97.1 Å²	97.1	80%	0.802	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	9.8	-163	-62.8	-34.4	0	0	0	115.4	S639 S643	S639-D641 PolarHBondContact O-N 2.81Å; D641-S643 PolarHBondContact O-N 3.48Å
642	Q	39	Very low	49.1	Very low	150 Å²	150	96.8 Å²	96.8	70%	0.701	55%	0.554	S	S	*	*			trans	-77.9	96.5	171.5	-71.9	-171.5	14	0	0	110.5
643	S	33.5	Very low	49.2	Very low	79 Å²	79	99.1 Å²	99.1	55%	0.552	56%	0.563	S	S	*	*			trans	-52.3	152.3	165.7	66.3	0	0	0	0	111.2	D641 S645	D641-S643 PolarHBondContact O-N 3.48Å; S643-S645 PolarHBondContact O-N 3.22Å; S643-S645 PolarHBondContact OG-OG 3.08Å
644	P	34.8	Very low	49.5	Very low	145 Å²	145	95.5 Å²	95.5	94%	0.942	56%	0.556	S	S	*	*	S	Bend	trans	-67.3	2.3	-174.2	-13.6	27.8	0	0	0	115.1
645	S	30.2	Very low	49.4	Very low	100 Å²	100	96.6 Å²	96.6	70%	0.699	57%	0.568	S	S	*	*			trans	-100.3	89.4	-174.5	58.2	0	0	0	0	111.2	S643	S643-S645 PolarHBondContact O-N 3.22Å; S643-S645 PolarHBondContact OG-OG 3.08Å
646	G	30.8	Very low	49.1	Very low	58 Å²	58	99.7 Å²	99.7	60%	0.598	59%	0.591	S	S	*	*			trans	165.4	103.2	169	0	0	0	0	0	110.3	I648	G646-I648 VanDerWaalsContact C-N 3.27Å; G646-I648 PolarHBondContact O-N 3.49Å
647	H	30.6	Very low	49.2	Very low	206 Å²	206	98.7 Å²	98.7	95%	0.954	58%	0.584	S	S	*	*			trans	-59.5	91.1	168.2	-83.3	-59.2	0	0	0	109.4
648	I	33.2	Very low	49.1	Very low	136 Å²	136	95.6 Å²	95.6	70%	0.697	57%	0.568	S	S	*	*			trans	-107.3	123.6	162	-58.9	177.7	0	0	0	105.5	G646 S650	G646-I648 VanDerWaalsContact C-N 3.27Å; G646-I648 PolarHBondContact O-N 3.49Å; I648-S650 PolarHBondContact O-N 3.35Å
649	H	34	Very low	49.6	Very low	157 Å²	157	99.7 Å²	99.7	73%	0.727	58%	0.584	S	S	*	*			trans	-46.4	115.1	-176.8	-78	-87.7	0	0	0	111.1	L363 T651	L363-H649 HydrophobicContact CD2-CB 4.06Å; H649-T651 PolarHBondContact O-N 3.26Å; H649-T651 VanDerWaalsContact O-N 3.17Å
650	S	33.1	Very low	50.3	Low	111 Å²	111	103.3 Å²	103.3	78%	0.776	59%	0.592	S	S	*	*	S	Bend	trans	-73.8	102	-173.8	64	0	0	0	0	110.9	I648	I648-S650 PolarHBondContact O-N 3.35Å
651	T	43	Very low	51.3	Low	137 Å²	137	97.7 Å²	97.7	84%	0.84	57%	0.567	S	S	*	*			trans	-120	0.7	148.7	52.8	0	0	0	0	111.9	H649	H649-T651 PolarHBondContact O-N 3.26Å; H649-T651 VanDerWaalsContact O-N 3.17Å
652	G	47.8	Very low	52.7	Low	53 Å²	53	90.6 Å²	90.6	55%	0.546	53%	0.53	S	S	.	.	S	Bend	trans	-87.9	138.8	-178.1	0	0	0	0	0	114.5	S654	G652-S654 PolarHBondContact O-N 3.17Å
653	F	61.1	Low	54	Low	52 Å²	52	86.7 Å²	86.7	23%	0.228	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-55	130.1	173.1	-102.1	-97.8	0	0	0	111.8	L597 I635 P638 V657 L661	L597-F653 HydrophobicContact CD1-CE1 3.99Å; L597-F653 HydrophobicContact CD1-CE2 3.62Å; L597-F653 HydrophobicContact CD1-CZ 3.25Å; I635-F653 HydrophobicContact CD1-CD2 4.22Å; I635-F653 HydrophobicContact CD1-CE2 4.2Å; I635-F653 HydrophobicContact CG2-CD2 4.22Å; P638-F653 HydrophobicContact CG-CB 4.45Å; P638-F653 WeakPolarHBondContact CG-O 3.36Å; F653-V657 HydrophobicContact CD1-CB 4.45Å; F653-V657 HydrophobicContact CD1-CG1 3.85Å; F653-V657 HydrophobicContact CE1-CG1 3.74Å; F653-L661 HydrophobicContact CD1-CD1 4.41Å; F653-L661 HydrophobicContact CE1-CD1 3.59Å; F653-L661 HydrophobicContact CZ-CD1 4.46Å
654	S	69.9	Low	55.3	Low	47 Å²	47	84 Å²	84	33%	0.329	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-76.6	146.8	174.2	85	0	0	0	0	111.5	G652 S656 V657 L658	G652-S654 PolarHBondContact O-N 3.17Å; S654-S656 PolarHBondContact O-N 3.02Å; S654-S656 VanDerWaalsContact O-N 3.14Å; S654-S656 PolarHBondContact OG-OG 2.76Å; S654-V657 PolarHBondContact O-N 2.77Å; S654-V657 VanDerWaalsContact OG-CG2 3.3Å; S654-V657 WeakPolarHBondContact OG-CG2 3.44Å; S654-V657 PolarHBondContact OG-N 3.23Å; S654-L658 PolarHBondContact O-N 3.11Å; S654-L658 VanDerWaalsContact O-N 3.13Å
655	P	70.9	Confident	56.3	Low	62 Å²	62	77.8 Å²	77.8	40%	0.403	46%	0.46	S	S	.	.	H	α-helix	trans	-50.9	-38.1	173.2	-29.1	34.6	0	0	0	113.4	F203 P638 V657 K659	F203-P655 HydrophobicContact CE1-CB 4.12Å; F203-P655 WeakPolarHBondContact CE1-O 3.34Å; F203-P655 HydrophobicContact CZ-CB 3.93Å; P638-P655 HydrophobicContact CB-CG 3.74Å; P655-V657 PolarHBondContact O-N 3.19Å; P655-K659 VanDerWaalsContact O-CB 3.27Å; P655-K659 WeakPolarHBondContact O-CB 3.4Å; P655-K659 PolarHBondContact O-N 3.08Å
656	S	70.3	Confident	57.3	Low	86 Å²	86	74.9 Å²	74.9	60%	0.601	44%	0.438	S	S	*	.	H	α-helix	trans	-65.7	-37.4	-179.1	71.9	0	0	0	0	112.9	S654 K660	S654-S656 PolarHBondContact O-N 3.02Å; S654-S656 VanDerWaalsContact O-N 3.14Å; S654-S656 PolarHBondContact OG-OG 2.76Å; S656-K660 WeakPolarHBondContact O-CB 3.41Å; S656-K660 PolarHBondContact O-N 3.05Å; S656-K660 VanDerWaalsContact O-N 3.12Å
657	V	74.8	Confident	58.2	Low	63 Å²	63	73.8 Å²	73.8	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-71.4	-48.7	178.6	172	0	0	0	0	109.8	F653 S654 P655 K659 K660 L661	F653-V657 HydrophobicContact CD1-CB 4.45Å; F653-V657 HydrophobicContact CD1-CG1 3.85Å; F653-V657 HydrophobicContact CE1-CG1 3.74Å; S654-V657 PolarHBondContact O-N 2.77Å; S654-V657 VanDerWaalsContact OG-CG2 3.3Å; S654-V657 WeakPolarHBondContact OG-CG2 3.44Å; S654-V657 PolarHBondContact OG-N 3.23Å; P655-V657 PolarHBondContact O-N 3.19Å; V657-K659 VanDerWaalsContact C-N 3.31Å; V657-K659 PolarHBondContact O-N 3.04Å; V657-K660 WeakPolarHBondContact O-CB 3.4Å; V657-K660 PolarHBondContact O-N 2.68Å; V657-K660 VanDerWaalsContact O-N 3.07Å; V657-L661 HydrophobicContact CG1-CD1 3.74Å; V657-L661 HydrophobicContact CG1-CG 4.33Å; V657-L661 WeakPolarHBondContact O-CG 3.38Å; V657-L661 PolarHBondContact O-N 2.88Å
658	L	74.5	Confident	58.8	Low	2 Å²	2	67 Å²	67	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-40.7	178.4	-175.9	62.6	0	0	0	111.9	F203 L599 L623 I626 P638 S654 K660 L661 T662	F203-L658 HydrophobicContact CB-CD2 4.05Å; F203-L658 HydrophobicContact CB-CG 4.32Å; F203-L658 HydrophobicContact CD1-CB 4.12Å; F203-L658 HydrophobicContact CD1-CD2 3.78Å; F203-L658 HydrophobicContact CD1-CG 3.87Å; F203-L658 HydrophobicContact CD2-CD2 4.36Å; F203-L658 HydrophobicContact CE1-CB 4.4Å; F203-L658 HydrophobicContact CE1-CD2 4.33Å; F203-L658 HydrophobicContact CG-CD2 3.8Å; F203-L658 HydrophobicContact CG-CG 4.24Å; L599-L658 HydrophobicContact CD1-CD1 4.29Å; L599-L658 HydrophobicContact CD2-CD1 3.9Å; L623-L658 HydrophobicContact CD2-CD2 3.78Å; I626-L658 HydrophobicContact CD1-CD1 4.45Å; I626-L658 HydrophobicContact CD1-CD2 4.04Å; P638-L658 HydrophobicContact CG-CD2 4.44Å; S654-L658 PolarHBondContact O-N 3.11Å; S654-L658 VanDerWaalsContact O-N 3.13Å; L658-K660 VanDerWaalsContact C-N 3.32Å; L658-K660 PolarHBondContact O-N 3.03Å; L658-L661 PolarHBondContact O-N 3.31Å; L658-T662 HydrophobicContact CD1-CG2 4Å; L658-T662 HydrophobicContact CG-CG2 4.33Å; L658-T662 WeakPolarHBondContact O-CB 3.34Å; L658-T662 WeakPolarHBondContact O-CG2 3.47Å; L658-T662 PolarHBondContact O-N 2.88Å; L658-T662 PolarHBondContact O-OG1 3Å
659	K	74.5	Confident	59.3	Low	104 Å²	104	67.8 Å²	67.8	45%	0.452	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-40.7	174.1	-178	174.1	-176.8	178.6	0	112.1	H202 F203 P655 V657 T662 S663	H202-K659 HydrophobicContact CB-CD 4.38Å; F203-K659 HydrophobicContact CD1-CB 4.33Å; F203-K659 HydrophobicContact CE1-CB 4.32Å; P655-K659 VanDerWaalsContact O-CB 3.27Å; P655-K659 WeakPolarHBondContact O-CB 3.4Å; P655-K659 PolarHBondContact O-N 3.08Å; V657-K659 VanDerWaalsContact C-N 3.31Å; V657-K659 PolarHBondContact O-N 3.04Å; K659-T662 PolarHBondContact O-OG1 3.29Å; K659-S663 VanDerWaalsContact O-CB 3.28Å; K659-S663 WeakPolarHBondContact O-CB 3.43Å; K659-S663 PolarHBondContact O-N 2.89Å
660	K	75	Confident	59.6	Low	140 Å²	140	69 Å²	69	61%	0.609	39%	0.387	S	S	*	.	H	α-helix	trans	-65.4	-46.8	176.7	-173.9	179.3	178.5	-178.2	0	111.1	S656 V657 L658 S663	S656-K660 WeakPolarHBondContact O-CB 3.41Å; S656-K660 PolarHBondContact O-N 3.05Å; S656-K660 VanDerWaalsContact O-N 3.12Å; V657-K660 WeakPolarHBondContact O-CB 3.4Å; V657-K660 PolarHBondContact O-N 2.68Å; V657-K660 VanDerWaalsContact O-N 3.07Å; L658-K660 VanDerWaalsContact C-N 3.32Å; L658-K660 PolarHBondContact O-N 3.03Å; K660-S663 PolarHBondContact O-N 3.34Å; K660-S663 PolarHBondContact O-OG 3.11Å
661	L	72.8	Confident	59.8	Low	13 Å²	13	69.9 Å²	69.9	7%	0.068	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-44.4	-179.8	-67.5	168.8	0	0	0	112.1	L591 D593 E594 F653 V657 L658 S663 C664	L591-L661 HydrophobicContact CD1-CB 3.97Å; L591-L661 HydrophobicContact CD1-CD1 4.04Å; L591-L661 HydrophobicContact CD2-CB 3.89Å; D593-L661 HydrophobicContact CB-CD2 3.5Å; D593-L661 VanDerWaalsContact CB-CD2 3.5Å; E594-L661 HydrophobicContact CG-CD1 3.96Å; E594-L661 HydrophobicContact CG-CD2 3.85Å; F653-L661 HydrophobicContact CD1-CD1 4.41Å; F653-L661 HydrophobicContact CE1-CD1 3.59Å; F653-L661 HydrophobicContact CZ-CD1 4.46Å; V657-L661 HydrophobicContact CG1-CD1 3.74Å; V657-L661 HydrophobicContact CG1-CG 4.33Å; V657-L661 WeakPolarHBondContact O-CG 3.38Å; V657-L661 PolarHBondContact O-N 2.88Å; L658-L661 PolarHBondContact O-N 3.31Å; L661-S663 VanDerWaalsContact C-N 3.35Å; L661-S663 PolarHBondContact O-N 3Å; L661-C664 PolarHBondContact O-N 3.19Å
662	T	72.8	Confident	59.4	Low	1 Å²	1	66.3 Å²	66.3	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-75.1	-21.2	179.8	53.9	0	0	0	0	113.4	F203 P205 P206 L591 L599 L658 K659 C664	F203-T662 WeakPolarHBondContact O-CG2 3.03Å; P205-T662 WeakPolarHBondContact CA-O 3.47Å; P206-T662 WeakPolarHBondContact CD-O 2.95Å; L591-T662 HydrophobicContact CD2-CG2 4.05Å; L599-T662 HydrophobicContact CD1-CG2 3.67Å; L658-T662 HydrophobicContact CD1-CG2 4Å; L658-T662 HydrophobicContact CG-CG2 4.33Å; L658-T662 WeakPolarHBondContact O-CB 3.34Å; L658-T662 WeakPolarHBondContact O-CG2 3.47Å; L658-T662 PolarHBondContact O-N 2.88Å; L658-T662 PolarHBondContact O-OG1 3Å; K659-T662 PolarHBondContact O-OG1 3.29Å; T662-C664 PolarHBondContact O-N 3.38Å
663	S	67	Low	59	Low	69 Å²	69	68.8 Å²	68.8	48%	0.483	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.8	175.8	71.8	0	0	0	0	113.7	K659 K660 L661	K659-S663 VanDerWaalsContact O-CB 3.28Å; K659-S663 WeakPolarHBondContact O-CB 3.43Å; K659-S663 PolarHBondContact O-N 2.89Å; K660-S663 PolarHBondContact O-N 3.34Å; K660-S663 PolarHBondContact O-OG 3.11Å; L661-S663 VanDerWaalsContact C-N 3.35Å; L661-S663 PolarHBondContact O-N 3Å
664	C	60.8	Low	57.8	Low	23 Å²	23	70.5 Å²	70.5	16%	0.155	39%	0.389	C	S	.	.	S	Bend	trans	-93.3	117.8	179	-61.8	0	0	0	0	110.1	L661 T662	L661-C664 PolarHBondContact O-N 3.19Å; T662-C664 PolarHBondContact O-N 3.38Å
665	C	54.2	Low	56.2	Low	14 Å²	14	75.4 Å²	75.4	10%	0.095	41%	0.407	C	S	.	.			trans	-82.4	125.2	167.4	179.6	0	0	0	0	109.4	Q667 N668	C665-Q667 PolarHBondContact O-N 3.1Å; C665-Q667 VanDerWaalsContact O-N 3.17Å; C665-N668 HydrophobicContact CB-CB 4.25Å; C665-N668 PolarHBondContact O-N 3.43Å
666	P	51.1	Low	54.6	Low	38 Å²	38	79.7 Å²	79.7	25%	0.247	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.2	179.9	2.3	-8.7	0	0	0	113.1	F589 P592	F589-P666 HydrophobicContact CE2-CG 4.17Å; F589-P666 HydrophobicContact CZ-CG 3.86Å; P592-P666 HydrophobicContact CB-CB 4.19Å; P592-P666 HydrophobicContact CG-CB 3.67Å; P592-P666 HydrophobicContact CG-CG 3.81Å
667	Q	51	Low	53.6	Low	36 Å²	36	83.5 Å²	83.5	17%	0.168	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.1	-168.4	-65.6	-168.1	-24.7	0	0	114.6	R106 C227 C665 E683	R106-Q667 VanDerWaalsContact NH2-NE2 3.1Å; C227-Q667 PolarHBondContact SG-OE1 2.8Å; C665-Q667 PolarHBondContact O-N 3.1Å; C665-Q667 VanDerWaalsContact O-N 3.17Å; Q667-E683 VanDerWaalsContact NE2-CD 3.29Å; Q667-E683 PolarHBondContact NE2-OE1 2.94Å; Q667-E683 VanDerWaalsContact NE2-OE1 3.08Å; Q667-E683 PolarHBondContact NE2-OE2 3.18Å
668	N	42.6	Very low	52.6	Low	63 Å²	63	89.9 Å²	89.9	34%	0.337	44%	0.44	S	S	.	.			trans	-120.5	9.7	-168.4	-73.7	-34.5	0	0	0	115.6	G225 C665 K670	G225-N668 VanDerWaalsContact CA-ND2 3.33Å; G225-N668 WeakPolarHBondContact CA-ND2 3.5Å; G225-N668 WeakPolarHBondContact CA-OD1 3.17Å; G225-N668 PolarHBondContact O-ND2 3.45Å; C665-N668 HydrophobicContact CB-CB 4.25Å; C665-N668 PolarHBondContact O-N 3.43Å; N668-K670 PolarHBondContact O-N 3Å
669	Y	43.8	Very low	52.2	Low	153 Å²	153	96 Å²	96	60%	0.6	46%	0.463	S	S	*	.			trans	-72.3	97.1	-179.8	-133	-89.6	0	0	0	110.9	I671	Y669-I671 PolarHBondContact O-N 2.72Å
670	K	39.9	Very low	52.3	Low	182 Å²	182	93.9 Å²	93.9	79%	0.791	46%	0.456	S	S	*	.			trans	-63.1	117.1	158	-98.4	-176.8	176.1	178.5	0	107.1	N668 S672	N668-K670 PolarHBondContact O-N 3Å; K670-S672 PolarHBondContact O-N 3.46Å
671	I	37.5	Very low	52.7	Low	130 Å²	130	88.6 Å²	88.6	67%	0.667	43%	0.434	S	S	*	.			trans	-55	101.7	-180	-58.9	162.6	0	0	0	108.4	Y669	Y669-I671 PolarHBondContact O-N 2.72Å
672	S	34.9	Very low	53.3	Low	62 Å²	62	89.1 Å²	89.1	43%	0.434	44%	0.436	S	S	.	.			trans	-77.7	127.2	160.7	94	0	0	0	0	106.9	K670 S674	K670-S672 PolarHBondContact O-N 3.46Å; S672-S674 PolarHBondContact O-N 3.28Å
673	S	38.5	Very low	53.9	Low	104 Å²	104	90.1 Å²	90.1	73%	0.727	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-6.6	-165.3	53.3	0	0	0	0	116.3
674	S	36.3	Very low	54.9	Low	88 Å²	88	87.7 Å²	87.7	62%	0.615	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-17.1	-174.2	57.3	0	0	0	0	115.2	S672	S672-S674 PolarHBondContact O-N 3.28Å
675	H	36.7	Very low	55.7	Low	150 Å²	150	88.7 Å²	88.7	69%	0.694	43%	0.426	S	S	*	.			trans	-137.9	85	175.9	-70.7	-52.8	0	0	0	110.2	R677	H675-R677 PolarHBondContact O-N 2.96Å
676	Y	38.3	Very low	56.7	Low	153 Å²	153	88.4 Å²	88.4	60%	0.6	42%	0.424	S	S	*	.			trans	-62.7	85.5	167	-85.4	-92.4	0	0	0	109.4
677	R	48.5	Very low	57.4	Low	166 Å²	166	87.7 Å²	87.7	63%	0.626	42%	0.42	S	S	*	.			trans	-89.1	128.8	163.1	-79	-172.4	176.7	176.7	-3.4	108.6	D593 H675 R679	D593-R677 IonicContact OD1-CZ 2.89Å; D593-R677 IonicContact OD1-NH1 3.91Å; D593-R677 PolarHBondContact OD1-NH1 2.89Å; D593-R677 IonicContact OD2-NH1 3.85Å; D593-R677 PolarHBondContact OD2-NH1 3.16Å; H675-R677 PolarHBondContact O-N 2.96Å; R677-R679 PolarHBondContact O-N 3.16Å
678	K	54.4	Low	57.8	Low	196 Å²	196	90.7 Å²	90.7	85%	0.852	44%	0.436	S	S	*	.			trans	-61	110.1	-179.6	-102.6	-178.9	172.4	-177.6	0	108.6	L680	K678-L680 PolarHBondContact O-N 2.66Å
679	R	66.1	Low	58.8	Low	132 Å²	132	89.4 Å²	89.4	50%	0.498	43%	0.428	S	S	.	.			trans	-54.4	127.5	160	-161	179.6	174.2	158.6	1.4	106.4	L111 R677 I681	L111-R679 HydrophobicContact CD1-CB 4.1Å; L111-R679 WeakPolarHBondContact CD1-O 3.36Å; R677-R679 PolarHBondContact O-N 3.16Å; R679-I681 WeakPolarHBondContact CD-O 3.46Å; R679-I681 VanDerWaalsContact CG-O 3.3Å; R679-I681 WeakPolarHBondContact CG-O 3.47Å; R679-I681 PolarHBondContact NE-O 3.25Å
680	L	75.8	Confident	59.4	Low	59 Å²	59	82.4 Å²	82.4	31%	0.309	40%	0.403	S	S	.	.			trans	-89.4	-21	179.1	-67.5	175.7	0	0	0	112.2	L111 V242 P595 K678	L111-L680 PolarHBondContact N-O 2.93Å; V242-L680 HydrophobicContact CB-CB 4.25Å; V242-L680 HydrophobicContact CG2-CB 4.35Å; P595-L680 HydrophobicContact CB-CD1 4.42Å; P595-L680 HydrophobicContact CG-CD1 4.16Å; K678-L680 PolarHBondContact O-N 2.66Å
681	I	83.3	Confident	60.1	Low	29 Å²	29	77.1 Å²	77.1	15%	0.149	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.5	-174.5	-64.9	171.2	0	0	0	109.7	V108 V240 V242 R679 E683	V108-I681 HydrophobicContact CG1-CG2 3.24Å; V240-I681 HydrophobicContact CG1-CD1 4.25Å; V242-I681 HydrophobicContact CG2-CD1 4.1Å; V242-I681 HydrophobicContact CG2-CG1 3.45Å; V242-I681 VanDerWaalsContact CG2-CG1 3.45Å; R679-I681 WeakPolarHBondContact CD-O 3.46Å; R679-I681 VanDerWaalsContact CG-O 3.3Å; R679-I681 WeakPolarHBondContact CG-O 3.47Å; R679-I681 PolarHBondContact NE-O 3.25Å; I681-E683 HydrophobicContact CG2-CB 4.2Å
682	H	86.3	Confident	60.9	Low	24 Å²	24	78.6 Å²	78.6	11%	0.111	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.3	163.1	-175.3	66.8	0	0	0	108.7	F46 A48 V108 Q109 L111	F46-H682 PolarHBondContact O-NE2 3.2Å; A48-H682 HydrophobicContact CB-CB 3.87Å; A48-H682 PolarHBondContact N-CD2 2.83Å; V108-H682 WeakPolarHBondContact CA-O 3.48Å; Q109-H682 HydrophobicContact CB-CB 4.35Å; Q109-H682 PolarHBondContact N-O 2.97Å; Q109-H682 PolarHBondContact O-N 3.23Å; L111-H682 HydrophobicContact CD1-CB 4.48Å; L111-H682 HydrophobicContact CD2-CB 3.96Å; L111-H682 HydrophobicContact CG-CB 4.05Å
683	E	85.6	Confident	62.1	Low	22 Å²	22	80.3 Å²	80.3	10%	0.103	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.6	-173.2	-177.9	174.1	152.9	0	0	110.2	R106 F107 V108 Q667 I681 N685	R106-E683 WeakPolarHBondContact CD-OE1 3.4Å; R106-E683 HydrophobicContact CG-CG 4.18Å; R106-E683 WeakPolarHBondContact CG-OE1 2.96Å; R106-E683 IonicContact CZ-OE1 3.99Å; R106-E683 IonicContact CZ-OE2 2.78Å; R106-E683 IonicContact NE-OE1 2.8Å; R106-E683 PolarHBondContact NE-OE1 3.37Å; R106-E683 IonicContact NE-OE2 3.81Å; R106-E683 PolarHBondContact NE-OE2 3.27Å; R106-E683 IonicContact NH2-OE1 3.55Å; R106-E683 IonicContact NH2-OE2 3.83Å; R106-E683 PolarHBondContact NH2-OE2 3.06Å; F107-E683 WeakPolarHBondContact O-CA 3.39Å; V108-E683 HydrophobicContact CG2-CG 4.22Å; Q667-E683 VanDerWaalsContact NE2-CD 3.29Å; Q667-E683 PolarHBondContact NE2-OE1 2.94Å; Q667-E683 VanDerWaalsContact NE2-OE1 3.08Å; Q667-E683 PolarHBondContact NE2-OE2 3.18Å; I681-E683 HydrophobicContact CG2-CB 4.2Å; E683-N685 PolarHBondContact OE1-ND2 3.39Å
684	L	86.4	Confident	63.3	Low	17 Å²	17	79 Å²	79	9%	0.089	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	171.3	-51.5	175.8	0	0	0	108.2	L44 F46 I54 F107	L44-L684 HydrophobicContact CB-CB 3.9Å; L44-L684 HydrophobicContact CB-CD1 4.19Å; F46-L684 WeakPolarHBondContact O-CD1 3.41Å; I54-L684 HydrophobicContact CB-CD1 4.18Å; I54-L684 HydrophobicContact CD1-CD1 3.93Å; I54-L684 HydrophobicContact CG1-CD1 4.35Å; F107-L684 HydrophobicContact CB-CB 4.32Å; F107-L684 HydrophobicContact CD1-CD1 4.03Å; F107-L684 HydrophobicContact CD1-CG 4.4Å; F107-L684 PolarHBondContact N-O 3.45Å; F107-L684 PolarHBondContact O-N 2.98Å
685	N	79.4	Confident	64.7	Low	45 Å²	45	75.3 Å²	75.3	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	164.3	-179.3	62.5	56.5	0	0	0	111.3	V105 R106 F228 E683	V105-N685 VanDerWaalsContact O-CA 3.28Å; V105-N685 WeakPolarHBondContact O-CA 3.43Å; R106-N685 HydrophobicContact CB-CB 4.38Å; R106-N685 HydrophobicContact CG-CB 4.28Å; F228-N685 HydrophobicContact CD2-CB 4.38Å; F228-N685 HydrophobicContact CE2-CB 3.37Å; F228-N685 HydrophobicContact CZ-CB 3.78Å; E683-N685 PolarHBondContact OE1-ND2 3.39Å
686	N	74.8	Confident	66.3	Low	8 Å²	8	71.1 Å²	71.1	4%	0.043	34%	0.34	C	S	.	.			trans	-127	17.3	-178	74.8	-21.9	0	0	0	113.3	L44 Y56 P103 V105 L688 M689 A690	L44-N686 HydrophobicContact CD2-CB 4.12Å; Y56-N686 PolarHBondContact OH-ND2 3.02Å; P103-N686 PolarHBondContact O-ND2 2.85Å; V105-N686 PolarHBondContact N-OD1 2.98Å; V105-N686 PolarHBondContact O-N 3.03Å; V105-N686 PolarHBondContact O-OD1 3.42Å; N686-L688 PolarHBondContact O-N 3Å; N686-L688 VanDerWaalsContact O-N 3.09Å; N686-M689 CarbonylContact O-C 3.56Å; N686-M689 VanDerWaalsContact O-C 3.3Å; N686-M689 WeakPolarHBondContact O-CA 3.19Å; N686-M689 PolarHBondContact O-N 3.25Å; N686-A690 PolarHBondContact O-N 2.72Å
687	C	65.6	Low	68.2	Low	23 Å²	23	70.3 Å²	70.3	16%	0.155	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-52.1	-41.5	-174.1	55.2	0	0	0	0	113.1	F228 T231 M689 A690	F228-C687 HydrophobicContact CD2-CB 4.38Å; F228-C687 HydrophobicContact CE1-CB 3.95Å; F228-C687 HydrophobicContact CE2-CB 3.55Å; F228-C687 WeakPolarHBondContact CE2-SG 3.35Å; F228-C687 HydrophobicContact CZ-CB 3.35Å; T231-C687 HydrophobicContact CG2-CB 4.41Å; C687-M689 PolarHBondContact O-N 3.46Å; C687-A690 WeakPolarHBondContact O-CB 3.48Å; C687-A690 PolarHBondContact O-N 3.31Å
688	L	60	Low	69.8	Low	99 Å²	99	67.3 Å²	67.3	52%	0.518	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-66.7	-27.6	178.2	-65.5	177.3	0	0	0	113.1	Y226 N686	Y226-L688 HydrophobicContact CD2-CD1 4.23Å; Y226-L688 HydrophobicContact CD2-CD2 3.4Å; Y226-L688 HydrophobicContact CD2-CG 4.43Å; Y226-L688 HydrophobicContact CE2-CD2 4.07Å; Y226-L688 HydrophobicContact CG-CD2 3.68Å; N686-L688 PolarHBondContact O-N 3Å; N686-L688 VanDerWaalsContact O-N 3.09Å
689	M	63	Low	71.1	Confident	35 Å²	35	58.3 Å²	58.3	17%	0.172	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-99.7	-3	179	-56.3	-65.1	92.7	0	0	112.6	N686 C687 G691 R692 L693 E694 L696	N686-M689 CarbonylContact O-C 3.56Å; N686-M689 VanDerWaalsContact O-C 3.3Å; N686-M689 WeakPolarHBondContact O-CA 3.19Å; N686-M689 PolarHBondContact O-N 3.25Å; C687-M689 PolarHBondContact O-N 3.46Å; M689-G691 PolarHBondContact O-N 2.94Å; M689-R692 CarbonylContact O-C 3.5Å; M689-R692 WeakPolarHBondContact O-CA 3.28Å; M689-R692 PolarHBondContact O-N 3.19Å; M689-L693 PolarHBondContact O-N 3.49Å; M689-E694 WeakPolarHBondContact CB-O 3.13Å; M689-L696 HydrophobicContact CG-CD2 4.2Å
690	A	57.1	Low	71.8	Confident	7 Å²	7	55.6 Å²	55.6	6%	0.058	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.7	-174.4	0	0	0	0	0	112	V102 C104 N124 N686 C687 R692	V102-A690 WeakPolarHBondContact CG1-O 3.05Å; C104-A690 HydrophobicContact CB-CB 4.17Å; N124-A690 PolarHBondContact ND2-O 3.43Å; N686-A690 PolarHBondContact O-N 2.72Å; C687-A690 WeakPolarHBondContact O-CB 3.48Å; C687-A690 PolarHBondContact O-N 3.31Å; A690-R692 VanDerWaalsContact C-N 3.3Å; A690-R692 PolarHBondContact O-N 2.84Å
691	G	53.4	Low	71.9	Confident	71 Å²	71	53.3 Å²	53.3	73%	0.732	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.9	172.8	0	0	0	0	0	115	M689	M689-G691 PolarHBondContact O-N 2.94Å
692	R	55	Low	71.4	Confident	161 Å²	161	55 Å²	55	61%	0.608	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-11.6	-174.7	-65.8	-172.8	-177.2	165.5	4.5	114.7	M689 A690 E694	M689-R692 CarbonylContact O-C 3.5Å; M689-R692 WeakPolarHBondContact O-CA 3.28Å; M689-R692 PolarHBondContact O-N 3.19Å; A690-R692 VanDerWaalsContact C-N 3.3Å; A690-R692 PolarHBondContact O-N 2.84Å; R692-E694 HydrophobicContact CB-CB 4.29Å; R692-E694 HydrophobicContact CB-CG 4.1Å; R692-E694 PolarHBondContact O-N 2.94Å; R692-E694 VanDerWaalsContact O-N 3.1Å
693	L	59.2	Low	70.9	Confident	98 Å²	98	59.7 Å²	59.7	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	24	-174.6	-75.1	162.9	0	0	0	113.6	I42 V102 M689	I42-L693 HydrophobicContact CD1-CD2 3.6Å; V102-L693 HydrophobicContact CB-CD2 3.84Å; V102-L693 HydrophobicContact CB-CG 4.21Å; V102-L693 HydrophobicContact CG1-CD2 3.16Å; V102-L693 HydrophobicContact CG1-CG 3.72Å; V102-L693 HydrophobicContact CG2-CD1 3.55Å; V102-L693 HydrophobicContact CG2-CD2 3.48Å; V102-L693 VanDerWaalsContact CG2-CD2 3.48Å; V102-L693 HydrophobicContact CG2-CG 3.5Å; V102-L693 VanDerWaalsContact CG2-CG 3.5Å; M689-L693 PolarHBondContact O-N 3.49Å
694	E	64.4	Low	69.9	Low	76 Å²	76	59.7 Å²	59.7	36%	0.355	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-95.8	137.8	-175.9	-76.4	178.3	-166.3	0	0	110.3	M689 R692 K697	M689-E694 WeakPolarHBondContact CB-O 3.13Å; R692-E694 HydrophobicContact CB-CB 4.29Å; R692-E694 HydrophobicContact CB-CG 4.1Å; R692-E694 PolarHBondContact O-N 2.94Å; R692-E694 VanDerWaalsContact O-N 3.1Å; E694-K697 WeakPolarHBondContact OE2-CE 3.45Å; E694-K697 IonicContact OE2-NZ 3.73Å
695	S	65.1	Low	69.4	Low	11 Å²	11	60.2 Å²	60.2	8%	0.077	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-60	149.3	160.7	-69	0	0	0	0	109.6	F43 K697	F43-S695 PolarHBondContact N-OG 3.43Å; S695-K697 PolarHBondContact O-N 2.83Å
696	L	71	Confident	69.6	Low	62 Å²	62	61.2 Å²	61.2	33%	0.325	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-55.9	130.3	169.8	-72.1	171.9	0	0	0	109.6	L44 M689 L698 L699	L44-L696 WeakPolarHBondContact O-CD1 3.42Å; M689-L696 HydrophobicContact CG-CD2 4.2Å; L696-L698 PolarHBondContact O-N 3.39Å; L696-L699 HydrophobicContact CB-CD2 3.52Å; L696-L699 HydrophobicContact CB-CG 4.45Å; L696-L699 HydrophobicContact CD1-CD2 3.75Å; L696-L699 HydrophobicContact CG-CD2 4.25Å
697	K	78.8	Confident	70.1	Confident	136 Å²	136	61.2 Å²	61.2	59%	0.591	33%	0.334	S	S	*	.	S	Bend	trans	-67.6	-20.4	-176	-64.8	-174.4	179.1	-176.8	0	113.4	E694 S695 Y709 W710	E694-K697 WeakPolarHBondContact OE2-CE 3.45Å; E694-K697 IonicContact OE2-NZ 3.73Å; S695-K697 PolarHBondContact O-N 2.83Å; K697-Y709 WeakPolarHBondContact O-CA 3.05Å; K697-W710 PolarHBondContact O-N 3.21Å
698	L	80.8	Confident	70.9	Confident	103 Å²	103	60.2 Å²	60.2	54%	0.539	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	123.5	176.5	-179.5	65.9	0	0	0	109.2	L696 V700 V708	L696-L698 PolarHBondContact O-N 3.39Å; L698-V700 HydrophobicContact CD2-CG2 4.23Å; L698-V700 HydrophobicContact CG-CG2 4.04Å; L698-V708 CarbonylContact C-O 3.59Å; L698-V708 WeakPolarHBondContact CA-O 3.22Å
699	L	82.9	Confident	72.2	Confident	6 Å²	6	60 Å²	60	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.8	173	-54.8	173	0	0	0	107.7	F43 F46 L53 L696 S707 V708	F43-L699 HydrophobicContact CB-CD1 4.04Å; F46-L699 HydrophobicContact CD2-CB 4.12Å; F46-L699 HydrophobicContact CE2-CB 3.86Å; L53-L699 HydrophobicContact CD1-CD1 3.91Å; L53-L699 HydrophobicContact CD2-CD1 4.3Å; L53-L699 HydrophobicContact CG-CD1 4.37Å; L696-L699 HydrophobicContact CB-CD2 3.52Å; L696-L699 HydrophobicContact CB-CG 4.45Å; L696-L699 HydrophobicContact CD1-CD2 3.75Å; L696-L699 HydrophobicContact CG-CD2 4.25Å; L699-S707 CarbonylContact O-C 3.51Å; L699-S707 WeakPolarHBondContact O-CA 3.12Å; L699-V708 HydrophobicContact CB-CB 4.19Å; L699-V708 HydrophobicContact CD1-CG1 4.47Å; L699-V708 PolarHBondContact N-O 3.03Å; L699-V708 PolarHBondContact O-N 3.14Å
700	V	80.5	Confident	72.8	Confident	75 Å²	75	64.1 Å²	64.1	46%	0.455	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.3	-178.9	-173.9	0	0	0	0	108.6	L25 F46 L698	L25-V700 HydrophobicContact CD1-CG1 4.19Å; F46-V700 VanDerWaalsContact CD2-C 3.49Å; F46-V700 WeakPolarHBondContact CD2-O 3.41Å; L698-V700 HydrophobicContact CD2-CG2 4.23Å; L698-V700 HydrophobicContact CG-CG2 4.04Å
701	D	77.6	Confident	73.5	Confident	12 Å²	12	67 Å²	67	6%	0.064	35%	0.348	C	S	.	.			trans	-64.4	124.7	175.3	168.2	18.7	0	0	0	110.1	F46 Q703 G704 Y706	F46-D701 HydrophobicContact CD1-CB 4.49Å; F46-D701 HydrophobicContact CD2-CB 4.42Å; F46-D701 HydrophobicContact CE1-CB 4.47Å; F46-D701 HydrophobicContact CE2-CB 4.41Å; F46-D701 HydrophobicContact CG-CB 4.45Å; F46-D701 HydrophobicContact CZ-CB 4.42Å; D701-Q703 PolarHBondContact O-N 3.17Å; D701-Q703 WeakPolarHBondContact OD1-CB 3.26Å; D701-Q703 PolarHBondContact OD1-N 2.9Å; D701-G704 PolarHBondContact O-N 2.69Å; D701-Y706 HydrophobicContact CB-CD2 4.38Å; D701-Y706 PolarHBondContact N-O 2.83Å; D701-Y706 VanDerWaalsContact N-O 3.13Å; D701-Y706 WeakPolarHBondContact OD2-CD2 3.15Å
702	P	73.2	Confident	74.6	Confident	63 Å²	63	66.7 Å²	66.7	41%	0.409	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27	178.9	25.8	-34.8	0	0	0	113.4	F46 S47 G704	F46-P702 HydrophobicContact CB-CG 4.48Å; S47-P702 WeakPolarHBondContact O-CG 3.2Å; P702-G704 PolarHBondContact O-N 2.94Å
703	Q	76.3	Confident	75.7	Confident	123 Å²	123	61.5 Å²	61.5	58%	0.575	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.2	175.2	-62.4	-145.7	20.8	0	0	112.7	M19 D49 D701	M19-Q703 WeakPolarHBondContact CE-O 3.4Å; D49-Q703 PolarHBondContact O-NE2 3.46Å; D701-Q703 PolarHBondContact O-N 3.17Å; D701-Q703 WeakPolarHBondContact OD1-CB 3.26Å; D701-Q703 PolarHBondContact OD1-N 2.9Å
704	G	63.7	Low	76.7	Confident	22 Å²	22	59.4 Å²	59.4	23%	0.227	30%	0.3	C	S	.	.	S	Bend	trans	73.4	123.4	-173.6	0	0	0	0	0	111.8	M19 D701 P702	M19-G704 WeakPolarHBondContact CE-O 3.36Å; D701-G704 PolarHBondContact O-N 2.69Å; P702-G704 PolarHBondContact O-N 2.94Å
705	G	74.7	Confident	77.4	Confident	29 Å²	29	58.3 Å²	58.3	30%	0.299	30%	0.297	S	S	.	.	S	Bend	trans	155.9	-31.5	-179.2	0	0	0	0	0	112.3	K26	K26-G705 PolarHBondContact N-O 3.46Å
706	Y	84.8	Confident	78.3	Confident	65 Å²	65	61.5 Å²	61.5	26%	0.255	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.1	-175.7	-54	-80	0	0	0	113.3	K26 Y28 F70 P71 D701	K26-Y706 HydrophobicContact CB-CD1 3.9Å; K26-Y706 HydrophobicContact CB-CE1 4.21Å; K26-Y706 HydrophobicContact CD-CD1 4.42Å; K26-Y706 HydrophobicContact CD-CE1 4.06Å; K26-Y706 HydrophobicContact CG-CD1 4.49Å; K26-Y706 WeakPolarHBondContact O-CA 3.39Å; Y28-Y706 HydrophobicContact CD2-CD1 4.37Å; Y28-Y706 AromaticContact CE2-CD1 3.8Å; Y28-Y706 HydrophobicContact CE2-CD1 3.8Å; Y28-Y706 HydrophobicContact CE2-CE1 4.13Å; F70-Y706 HydrophobicContact CD1-CD2 4.29Å; F70-Y706 HydrophobicContact CD1-CG 4.42Å; F70-Y706 AromaticContact CE1-CD1 3.77Å; F70-Y706 HydrophobicContact CE1-CD1 3.77Å; F70-Y706 AromaticContact CE1-CD2 3.75Å; F70-Y706 HydrophobicContact CE1-CD2 3.75Å; F70-Y706 HydrophobicContact CE1-CE1 4.29Å; F70-Y706 HydrophobicContact CE1-CE2 4.29Å; F70-Y706 AromaticContact CE1-CG 3.46Å; F70-Y706 HydrophobicContact CE1-CG 3.46Å; F70-Y706 VanDerWaalsContact CE1-CG 3.46Å; F70-Y706 HydrophobicContact CZ-CD1 4.31Å; F70-Y706 HydrophobicContact CZ-CG 4.2Å; P71-Y706 HydrophobicContact CB-CE1 4.33Å; D701-Y706 HydrophobicContact CB-CD2 4.38Å; D701-Y706 PolarHBondContact N-O 2.83Å; D701-Y706 VanDerWaalsContact N-O 3.13Å; D701-Y706 WeakPolarHBondContact OD2-CD2 3.15Å
707	S	85	Confident	78.8	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.063	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.5	167.9	64.8	0	0	0	0	109.1	K26 S27 Y28 L699	K26-S707 PolarHBondContact O-N 3.39Å; K26-S707 VanDerWaalsContact O-N 3.12Å; S27-S707 CarbonylContact C-O 3.56Å; S27-S707 VanDerWaalsContact CA-O 3.25Å; S27-S707 WeakPolarHBondContact CA-O 3.34Å; S27-S707 WeakPolarHBondContact CA-OG 3.21Å; S27-S707 WeakPolarHBondContact CB-OG 3.37Å; S27-S707 PolarHBondContact OG-OG 3.23Å; Y28-S707 PolarHBondContact N-O 3.36Å; L699-S707 CarbonylContact O-C 3.51Å; L699-S707 WeakPolarHBondContact O-CA 3.12Å
708	V	82.6	Confident	78.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.2	174	175.7	0	0	0	0	108	Y28 L30 F46 F70 L698 L699	Y28-V708 WeakPolarHBondContact O-CA 3.49Å; L30-V708 HydrophobicContact CB-CG1 3.66Å; L30-V708 HydrophobicContact CD1-CG1 3.91Å; L30-V708 HydrophobicContact CD2-CG1 4.38Å; L30-V708 HydrophobicContact CG-CG1 4.16Å; F46-V708 HydrophobicContact CE2-CG2 4.17Å; F46-V708 HydrophobicContact CZ-CG2 3.7Å; F70-V708 HydrophobicContact CE2-CG2 3.68Å; F70-V708 HydrophobicContact CZ-CG2 3.89Å; L698-V708 CarbonylContact C-O 3.59Å; L698-V708 WeakPolarHBondContact CA-O 3.22Å; L699-V708 HydrophobicContact CB-CB 4.19Å; L699-V708 HydrophobicContact CD1-CG1 4.47Å; L699-V708 PolarHBondContact N-O 3.03Å; L699-V708 PolarHBondContact O-N 3.14Å
709	Y	86.9	Confident	78.6	Confident	94 Å²	94	51.8 Å²	51.8	37%	0.369	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.2	179.6	64	-88.3	0	0	0	111.3	Y28 H29 L30 K697	Y28-Y709 WeakPolarHBondContact O-CD1 3.47Å; Y28-Y709 WeakPolarHBondContact O-CE1 3.48Å; Y28-Y709 PolarHBondContact O-N 3.25Å; H29-Y709 WeakPolarHBondContact CA-O 3.32Å; H29-Y709 HydrophobicContact CB-CD2 4.48Å; H29-Y709 HydrophobicContact CB-CE1 4.38Å; H29-Y709 HydrophobicContact CB-CE2 3.79Å; H29-Y709 AromaticContact CD2-CE2 3.61Å; H29-Y709 AromaticContact CG-CE2 3.74Å; L30-Y709 PolarHBondContact N-O 3.06Å; K697-Y709 WeakPolarHBondContact O-CA 3.05Å
710	W	75.2	Confident	78.2	Confident	122 Å²	122	55.9 Å²	55.9	46%	0.462	29%	0.289	S	S	.	.			trans	-89.6	0	178.2	-129.3	102.7	0	0	0	112.8	H29 K697	H29-W710 PolarHBondContact CE1-OXT 3.29Å; K697-W710 PolarHBondContact O-N 3.21Å

Retrieved 710 of 710 residues in 158.1 ms (Link to these results)

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