A0A024R2L1_HUMAN Loading...

WD repeat-containing protein 48

AlphaFold DB (Q8TAF3), UniProt , Accession A0A024R2L1, Species HUMAN (Homo sapiens, Human), Gene WDR48, Length 677 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	33.8	Very low	37	Very low	250 Å²	250	154.9 Å²	154.9	100%	1.232	87%	0.87	S	S	*	*				0	97.2	0	-77.2	-161.9	-121.6	0	0	108.9
2	A	37.8	Very low	39.4	Very low	96 Å²	96	160.6 Å²	160.6	79%	0.793	87%	0.868	S	S	*	*			trans	-170.5	101.3	160	0	0	0	0	0	106.2
3	A	31.9	Very low	42.7	Very low	105 Å²	105	159.2 Å²	159.2	87%	0.868	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-88.4	121.9	177.9	0	0	0	0	0	109
4	H	37.4	Very low	46.2	Very low	185 Å²	185	155.6 Å²	155.6	86%	0.856	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-101.2	116.3	166.2	-92.4	-68.2	0	0	0	110.3	R6	H4-R6 PolarHBondContact O-N 3.43Å
5	H	35.9	Very low	49.5	Very low	184 Å²	184	147.1 Å²	147.1	85%	0.852	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.6	124.1	169.3	-104	-14.8	0	0	0	111.8	Q7	H5-Q7 PolarHBondContact O-N 3.26Å
6	R	36.7	Very low	52.5	Low	250 Å²	250	140.8 Å²	140.8	94%	0.943	74%	0.738	S	S	*	*			trans	-78.1	109.9	157.7	-81.6	-178	173	179.5	-2.7	108.7	H4	H4-R6 PolarHBondContact O-N 3.43Å
7	Q	35.2	Very low	55.2	Low	176 Å²	176	132.6 Å²	132.6	82%	0.822	70%	0.695	S	S	*	*			trans	-80.2	139	168.5	-86.3	-179.5	-13.9	0	0	111.3	H5	H5-Q7 PolarHBondContact O-N 3.26Å
8	N	28.4	Very low	57.6	Low	159 Å²	159	126.1 Å²	126.1	85%	0.85	66%	0.663	S	S	*	*			trans	-31.7	125.9	177.4	-81.9	-27.5	0	0	0	118
9	T	41	Very low	59.8	Low	124 Å²	124	119.5 Å²	119.5	76%	0.761	63%	0.628	S	S	*	*			trans	-98.5	15	168.7	45.9	0	0	0	0	114.1	G11	T9-G11 PolarHBondContact O-N 3.03Å
10	A	38.1	Very low	61.8	Low	101 Å²	101	114.1 Å²	114.1	84%	0.835	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	24.6	-167.6	0	0	0	0	0	117.3
11	G	50.9	Low	63.5	Low	74 Å²	74	109 Å²	109	76%	0.763	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.2	0.1	-179.1	0	0	0	0	0	116.7	T9	T9-G11 PolarHBondContact O-N 3.03Å
12	R	65.1	Low	66.6	Low	223 Å²	223	98.2 Å²	98.2	84%	0.842	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-84.9	133.1	175.9	-74.4	-172.6	177.5	-179.4	-0.6	110
13	R	82.4	Confident	69.4	Low	143 Å²	143	99.1 Å²	99.1	54%	0.54	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63.9	150.7	172.9	-66.8	-178.4	178.5	-150.3	7.1	109.3	E519 A520 G521	R13-E519 HydrophobicContact CB-CB 4.03Å; R13-E519 HydrophobicContact CB-CG 4.34Å; R13-A520 PolarHBondContact NH1-O 2.8Å; R13-G521 PolarHBondContact NH1-O 3.13Å
14	K	91.4	Very high	72.6	Confident	109 Å²	109	99 Å²	99	47%	0.474	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-61.5	140.4	173.7	-64.7	-170.6	172.1	-141.8	0	110.2	E435 A520	K14-E435 WeakPolarHBondContact CE-OE2 3.44Å; K14-E435 IonicContact NZ-OE2 2.84Å; K14-E435 PolarHBondContact NZ-OE2 3.23Å; K14-A520 PolarHBondContact O-N 2.83Å
15	V	96.5	Very high	75.4	Confident	28 Å²	28	94.4 Å²	94.4	17%	0.17	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.4	177.6	-179.2	0	0	0	0	108.9	F517 G518 L525 P547 W549	V15-F517 HydrophobicContact CG1-CB 4.47Å; V15-G518 CarbonylContact C-O 3.36Å; V15-G518 WeakPolarHBondContact CA-O 3.47Å; V15-L525 HydrophobicContact CG1-CD1 4.04Å; V15-L525 HydrophobicContact CG2-CD1 3.78Å; V15-P547 HydrophobicContact CB-CB 3.99Å; V15-P547 HydrophobicContact CB-CG 3.98Å; V15-P547 HydrophobicContact CG1-CB 4.43Å; V15-P547 HydrophobicContact CG1-CG 4.01Å; V15-W549 PolarHBondContact O-NE1 2.89Å; V15-W549 VanDerWaalsContact O-NE1 3.14Å
16	Q	97.9	Very high	78.4	Confident	45 Å²	45	86.2 Å²	86.2	21%	0.21	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.5	177.4	-60.8	-178.8	-47.1	0	0	109.9	T432 L433 D434 G518 A520	Q16-T432 HydrophobicContact CB-CG2 3.9Å; Q16-T432 HydrophobicContact CG-CG2 4.38Å; Q16-L433 WeakPolarHBondContact CA-O 3.46Å; Q16-D434 WeakPolarHBondContact CG-OD2 3.48Å; Q16-D434 PolarHBondContact NE2-OD2 2.91Å; Q16-G518 PolarHBondContact N-O 2.89Å; Q16-G518 PolarHBondContact O-N 2.85Å; Q16-G518 VanDerWaalsContact O-N 3.1Å; Q16-A520 HydrophobicContact CG-CB 4.26Å
17	V	98.5	Very high	81.3	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.012	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	172.2	-175.3	0	0	0	0	107.7	L433 L467 L470 V515 I516 F517 W549 V550	V17-L433 HydrophobicContact CB-CB 4.39Å; V17-L433 PolarHBondContact N-O 3.3Å; V17-L433 VanDerWaalsContact N-O 3.08Å; V17-L433 WeakPolarHBondContact O-CB 3.43Å; V17-L433 PolarHBondContact O-N 2.96Å; V17-L467 HydrophobicContact CB-CD2 4.26Å; V17-L467 HydrophobicContact CG1-CD2 4.22Å; V17-L467 HydrophobicContact CG2-CD2 4.17Å; V17-L470 HydrophobicContact CG1-CD1 4.4Å; V17-V515 HydrophobicContact CG1-CG1 4.14Å; V17-I516 CarbonylContact C-O 3.59Å; V17-F517 HydrophobicContact CB-CE1 4.5Å; V17-F517 HydrophobicContact CG1-CE1 4.15Å; V17-F517 HydrophobicContact CG2-CD1 3.91Å; V17-F517 HydrophobicContact CG2-CE1 3.7Å; V17-W549 HydrophobicContact CG2-CH2 4.23Å; V17-W549 HydrophobicContact CG2-CZ2 4.02Å; V17-V550 HydrophobicContact CG2-CG2 3.74Å
18	S	98.6	Very high	84.3	Confident	16 Å²	16	72.1 Å²	72.1	11%	0.112	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.3	175.9	-53	0	0	0	0	111.2	I431 T432 V515 I516	S18-I431 CarbonylContact C-O 3.47Å; S18-I431 WeakPolarHBondContact CA-O 3.33Å; S18-I431 WeakPolarHBondContact CB-O 3.31Å; S18-T432 WeakPolarHBondContact OG-CB 3.31Å; S18-T432 WeakPolarHBondContact OG-CG2 3.39Å; S18-T432 PolarHBondContact OG-OG1 3.05Å; S18-V515 CarbonylContact O-C 3.58Å; S18-I516 PolarHBondContact N-O 3.02Å; S18-I516 PolarHBondContact O-N 3.16Å
19	Y	98.8	Very high	87.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.9	171.6	68.3	-78.3	0	0	0	111.2	I21 V389 A392 T430 I431 L466 L470 T513 P514	Y19-I21 HydrophobicContact CD2-CG1 4.27Å; Y19-I21 HydrophobicContact CE2-CD1 4.22Å; Y19-I21 HydrophobicContact CE2-CG1 3.82Å; Y19-V389 WeakPolarHBondContact OH-CG1 3.28Å; Y19-V389 PolarHBondContact OH-O 2.84Å; Y19-A392 HydrophobicContact CD2-CB 4Å; Y19-A392 HydrophobicContact CE2-CB 3.55Å; Y19-T430 WeakPolarHBondContact O-CA 3.28Å; Y19-I431 HydrophobicContact CD1-CB 3.95Å; Y19-I431 HydrophobicContact CD1-CG2 4.38Å; Y19-I431 HydrophobicContact CE1-CB 3.36Å; Y19-I431 HydrophobicContact CE1-CG1 4.08Å; Y19-I431 HydrophobicContact CE1-CG2 3.46Å; Y19-I431 VanDerWaalsContact CE1-CG2 3.46Å; Y19-I431 HydrophobicContact CE2-CB 4.15Å; Y19-I431 HydrophobicContact CE2-CG1 3.97Å; Y19-I431 VanDerWaalsContact CZ-CB 3.5Å; Y19-I431 PolarHBondContact N-O 3.45Å; Y19-I431 PolarHBondContact O-N 3.14Å; Y19-L466 HydrophobicContact CE1-CD1 4.48Å; Y19-L466 HydrophobicContact CE1-CD2 3.6Å; Y19-L466 HydrophobicContact CE1-CG 4.42Å; Y19-L470 HydrophobicContact CD1-CD1 3.91Å; Y19-L470 HydrophobicContact CD1-CD2 4.24Å; Y19-L470 HydrophobicContact CD2-CD2 4.32Å; Y19-L470 HydrophobicContact CE1-CD1 4.46Å; Y19-L470 HydrophobicContact CG-CD1 4.37Å; Y19-L470 HydrophobicContact CG-CD2 3.9Å; Y19-T513 HydrophobicContact CD2-CG2 3.86Å; Y19-T513 HydrophobicContact CG-CG2 4.29Å; Y19-P514 WeakPolarHBondContact CA-O 3.28Å; Y19-P514 WeakPolarHBondContact CB-O 3.45Å
20	V	98.8	Very high	90.4	Very high	12 Å²	12	60.4 Å²	60.4	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.1	-175.4	-171.1	0	0	0	0	110.1	R22 M428 L429 T430 P514 I516	V20-R22 HydrophobicContact CB-CG 4.44Å; V20-R22 HydrophobicContact CG1-CB 4.29Å; V20-R22 HydrophobicContact CG1-CG 4.06Å; V20-R22 PolarHBondContact O-N 3.37Å; V20-M428 HydrophobicContact CG1-CB 3.99Å; V20-M428 HydrophobicContact CG1-CE 4.41Å; V20-M428 HydrophobicContact CG1-SD 4.39Å; V20-L429 WeakPolarHBondContact CA-O 3.48Å; V20-T430 HydrophobicContact CG2-CG2 4.29Å; V20-P514 HydrophobicContact CB-CG 4.4Å; V20-P514 PolarHBondContact N-O 3.13Å; V20-I516 HydrophobicContact CG2-CD1 4.2Å
21	I	98.7	Very high	93.3	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.3	173.4	-55.6	175.9	0	0	0	108.2	Y19 W387 A392 L429 I431	Y19-I21 HydrophobicContact CD2-CG1 4.27Å; Y19-I21 HydrophobicContact CE2-CD1 4.22Å; Y19-I21 HydrophobicContact CE2-CG1 3.82Å; I21-W387 HydrophobicContact CG2-CE3 3.75Å; I21-W387 HydrophobicContact CG2-CZ3 3.87Å; I21-A392 HydrophobicContact CG1-CB 4.26Å; I21-L429 HydrophobicContact CB-CB 4.1Å; I21-L429 HydrophobicContact CD1-CD1 4.48Å; I21-L429 PolarHBondContact N-O 3.47Å; I21-I431 HydrophobicContact CD1-CG1 4.1Å; I21-I431 HydrophobicContact CG1-CG1 4.43Å
22	R	98.4	Very high	95.5	Very high	23 Å²	23	53.3 Å²	53.3	9%	0.087	24%	0.24	C	C	.	.			trans	-160.4	169.1	-174	59	-179.9	-70.4	-161.3	-10.3	111.8	V20 E26 E72 M428 H512	V20-R22 HydrophobicContact CB-CG 4.44Å; V20-R22 HydrophobicContact CG1-CB 4.29Å; V20-R22 HydrophobicContact CG1-CG 4.06Å; V20-R22 PolarHBondContact O-N 3.37Å; R22-E26 HydrophobicContact CB-CG 4.22Å; R22-E26 WeakPolarHBondContact CB-OE1 3.16Å; R22-E26 VanDerWaalsContact NH2-CB 3.32Å; R22-E72 IonicContact CZ-OE1 3.38Å; R22-E72 IonicContact CZ-OE2 3.81Å; R22-E72 IonicContact NH1-OE1 3.64Å; R22-E72 IonicContact NH1-OE2 2.75Å; R22-E72 PolarHBondContact NH1-OE2 3.4Å; R22-E72 IonicContact NH2-OE1 2.76Å; R22-E72 PolarHBondContact NH2-OE1 3.4Å; R22-E72 IonicContact NH2-OE2 3.1Å; R22-E72 PolarHBondContact NH2-OE2 2.81Å; R22-M428 HydrophobicContact CB-SD 4.11Å; R22-H512 PolarHBondContact O-NE2 3.05Å
23	D	97.5	Very high	97.2	Very high	115 Å²	115	42.7 Å²	42.7	62%	0.615	20%	0.2	S	C	*	.			trans	-75.3	159.4	168.2	-63	-35.1	0	0	0	110.3	V25 E26	D23-V25 PolarHBondContact O-N 3.19Å; D23-E26 PolarHBondContact N-OE1 2.82Å; D23-E26 VanDerWaalsContact N-OE1 3.13Å
24	E	97.6	Very high	97.9	Very high	103 Å²	103	36.8 Å²	36.8	48%	0.481	18%	0.18	S	C	.	.	S	Bend	trans	-58.7	-38.2	179.1	-177.9	169	-156.4	0	0	111.5	H512 R531	E24-H512 VanDerWaalsContact CA-CD2 3.4Å; E24-H512 WeakPolarHBondContact CA-CD2 3.45Å; E24-H512 HydrophobicContact CB-CB 3.92Å; E24-H512 HydrophobicContact CG-CB 3.8Å; E24-H512 PolarHBondContact N-CD2 2.87Å; E24-H512 PolarHBondContact N-NE2 2.91Å; E24-R531 IonicContact OE1-CZ 3.8Å; E24-R531 VanDerWaalsContact OE1-CZ 3.25Å; E24-R531 IonicContact OE1-NH1 3.01Å; E24-R531 PolarHBondContact OE1-NH1 3.4Å; E24-R531 IonicContact OE1-NH2 3.68Å; E24-R531 PolarHBondContact OE1-NH2 2.77Å
25	V	97.6	Very high	98.3	Very high	88 Å²	88	31.7 Å²	31.7	53%	0.533	16%	0.158	S	C	.	.			trans	-121.3	102.8	179.2	-175.8	0	0	0	0	110.5	D23 K27	D23-V25 PolarHBondContact O-N 3.19Å; V25-K27 VanDerWaalsContact C-N 3.29Å; V25-K27 HydrophobicContact CG1-CB 4.39Å; V25-K27 PolarHBondContact O-N 2.81Å
26	E	97.9	Very high	98.4	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.056	15%	0.15	C	C	.	.			trans	-86.5	74.4	172	-68	-69.6	169.6	0	0	109.8	R22 D23 Y28 R30 I53 R55 M428	R22-E26 HydrophobicContact CB-CG 4.22Å; R22-E26 WeakPolarHBondContact CB-OE1 3.16Å; R22-E26 VanDerWaalsContact NH2-CB 3.32Å; D23-E26 PolarHBondContact N-OE1 2.82Å; D23-E26 VanDerWaalsContact N-OE1 3.13Å; E26-Y28 VanDerWaalsContact C-N 3.27Å; E26-Y28 PolarHBondContact O-N 3.45Å; E26-R30 HydrophobicContact CB-CG 4.43Å; E26-R30 IonicContact OE1-NH1 3.17Å; E26-R30 PolarHBondContact OE1-NH1 3.41Å; E26-R30 WeakPolarHBondContact OE2-CD 3.31Å; E26-R30 VanDerWaalsContact OE2-CG 3.27Å; E26-R30 WeakPolarHBondContact OE2-CG 3.48Å; E26-R30 IonicContact OE2-CZ 3.77Å; E26-R30 IonicContact OE2-NE 2.74Å; E26-R30 IonicContact OE2-NH1 3.4Å; E26-R30 PolarHBondContact OE2-NH1 3.14Å; E26-I53 HydrophobicContact CB-CD1 4.19Å; E26-R55 PolarHBondContact O-NE 3.47Å; E26-R55 PolarHBondContact O-NH2 2.84Å; E26-M428 HydrophobicContact CG-SD 3.97Å
27	K	97.8	Very high	98.4	Very high	52 Å²	52	30 Å²	30	23%	0.226	15%	0.148	C	C	.	.			trans	-56.2	-37.2	-171.1	-172.5	179.6	-178.8	-179.4	0	114.2	V25 R55 W57 D65 Y67	V25-K27 VanDerWaalsContact C-N 3.29Å; V25-K27 HydrophobicContact CG1-CB 4.39Å; V25-K27 PolarHBondContact O-N 2.81Å; K27-R55 VanDerWaalsContact O-CD 3.31Å; K27-R55 WeakPolarHBondContact O-CD 3.36Å; K27-R55 PolarHBondContact O-NE 2.83Å; K27-W57 WeakPolarHBondContact O-CH2 3.23Å; K27-D65 WeakPolarHBondContact CE-OD1 3.43Å; K27-D65 WeakPolarHBondContact CE-OD2 3.43Å; K27-D65 IonicContact NZ-OD1 3.58Å; K27-D65 PolarHBondContact NZ-OD1 2.87Å; K27-D65 IonicContact NZ-OD2 3.94Å; K27-D65 PolarHBondContact NZ-OD2 3.44Å; K27-Y67 HydrophobicContact CD-CD1 4.18Å; K27-Y67 HydrophobicContact CD-CG 4.16Å; K27-Y67 HydrophobicContact CG-CD1 3.77Å; K27-Y67 HydrophobicContact CG-CD2 3.65Å; K27-Y67 HydrophobicContact CG-CE1 4.1Å; K27-Y67 HydrophobicContact CG-CE2 4.01Å; K27-Y67 HydrophobicContact CG-CG 3.52Å; K27-Y67 WeakPolarHBondContact O-CD2 3.41Å
28	Y	98.5	Very high	98.4	Very high	78 Å²	78	30.9 Å²	30.9	31%	0.306	15%	0.152	S	C	.	.	S	Bend	trans	-106.3	152.7	-178.4	-53.3	-67.6	0	0	0	110.8	E26 R30 R55 W57 K358	E26-Y28 VanDerWaalsContact C-N 3.27Å; E26-Y28 PolarHBondContact O-N 3.45Å; Y28-R30 PolarHBondContact O-N 3.22Å; Y28-R55 PolarHBondContact O-NH2 3.47Å; Y28-W57 HydrophobicContact CD1-CH2 4.04Å; Y28-W57 HydrophobicContact CD1-CZ3 4.34Å; Y28-K358 HydrophobicContact CD1-CB 4Å; Y28-K358 VanDerWaalsContact CD1-O 3.31Å; Y28-K358 WeakPolarHBondContact CD1-O 3.46Å; Y28-K358 HydrophobicContact CE1-CB 3.94Å
29	N	98.8	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.			trans	-55.7	129.7	173.7	-61.9	-69.7	0	0	0	109.8	V33 D51 R55 S319 G360	N29-V33 HydrophobicContact CB-CG2 4.22Å; N29-D51 WeakPolarHBondContact CA-OD2 3.42Å; N29-R55 PolarHBondContact OD1-NH1 2.84Å; N29-S319 WeakPolarHBondContact O-CB 3.15Å; N29-G360 WeakPolarHBondContact O-CA 3.38Å; N29-G360 PolarHBondContact O-N 2.97Å
30	R	98.6	Very high	98.2	Very high	38 Å²	38	34.7 Å²	34.7	14%	0.143	18%	0.177	C	C	.	.	S	Bend	trans	-96.1	-1.5	178.9	-67.4	-64.3	-60.4	-76.4	-7	112.8	E26 Y28 D51 A361 S362 M428	E26-R30 HydrophobicContact CB-CG 4.43Å; E26-R30 IonicContact OE1-NH1 3.17Å; E26-R30 PolarHBondContact OE1-NH1 3.41Å; E26-R30 WeakPolarHBondContact OE2-CD 3.31Å; E26-R30 VanDerWaalsContact OE2-CG 3.27Å; E26-R30 WeakPolarHBondContact OE2-CG 3.48Å; E26-R30 IonicContact OE2-CZ 3.77Å; E26-R30 IonicContact OE2-NE 2.74Å; E26-R30 IonicContact OE2-NH1 3.4Å; E26-R30 PolarHBondContact OE2-NH1 3.14Å; Y28-R30 PolarHBondContact O-N 3.22Å; R30-D51 HydrophobicContact CB-CB 3.95Å; R30-D51 PolarHBondContact N-OD2 3.4Å; R30-A361 PolarHBondContact NE-O 3.35Å; R30-A361 PolarHBondContact NH2-O 2.79Å; R30-S362 VanDerWaalsContact O-CA 3.25Å; R30-S362 WeakPolarHBondContact O-CA 3.44Å; R30-S362 WeakPolarHBondContact O-CB 3.4Å; R30-S362 PolarHBondContact O-OG 3.32Å; R30-M428 HydrophobicContact CB-CG 4.01Å; R30-M428 HydrophobicContact CB-SD 4.43Å; R30-M428 HydrophobicContact CG-CG 4.16Å; R30-M428 HydrophobicContact CG-SD 4.24Å
31	N	98.5	Very high	98	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	21%	0.206	C	C	.	.	S	Bend	trans	-151.4	176.1	171.7	-159.2	-15.1	0	0	0	109.2	R50 D51 S319 S362 K425	N31-R50 HydrophobicContact CB-CB 3.79Å; N31-D51 HydrophobicContact CB-CB 4.23Å; N31-S319 WeakPolarHBondContact O-CA 2.94Å; N31-S362 WeakPolarHBondContact CA-OG 3.21Å; N31-K425 PolarHBondContact ND2-O 2.83Å
32	G	98.4	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.			trans	-55.8	159.5	-179.4	0	0	0	0	0	114	R50 T317 K318	G32-R50 VanDerWaalsContact O-CB 3.26Å; G32-R50 WeakPolarHBondContact O-CB 3.41Å; G32-R50 VanDerWaalsContact O-CG 3.31Å; G32-R50 WeakPolarHBondContact O-CG 3.25Å; G32-R50 PolarHBondContact O-N 3.39Å; G32-T317 WeakPolarHBondContact CA-O 3.37Å; G32-K318 WeakPolarHBondContact CA-O 3.45Å
33	V	98.9	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.7	-179	176.6	0	0	0	0	109.3	N29 A35 L36 T47 L298 A315 T316 V321	N29-V33 HydrophobicContact CB-CG2 4.22Å; V33-A35 WeakPolarHBondContact CG1-O 3.18Å; V33-L36 HydrophobicContact CG1-CD2 3.87Å; V33-T47 HydrophobicContact CG1-CG2 4.37Å; V33-L298 WeakPolarHBondContact O-CD1 3.45Å; V33-A315 HydrophobicContact CB-CB 3.86Å; V33-A315 HydrophobicContact CG1-CB 3.78Å; V33-A315 WeakPolarHBondContact O-CB 3.43Å; V33-T316 PolarHBondContact N-O 2.86Å; V33-V321 HydrophobicContact CB-CG2 4.18Å; V33-V321 HydrophobicContact CG1-CG2 4.47Å; V33-V321 HydrophobicContact CG2-CG2 3.67Å
34	N	98.9	Very high	97.8	Very high	20 Å²	20	40.8 Å²	40.8	11%	0.107	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-31.4	-177.8	-73.1	-40.2	0	0	0	113.3	A48 R50 V78 N79 K299	N34-A48 PolarHBondContact N-O 2.9Å; N34-R50 VanDerWaalsContact ND2-CG 3.28Å; N34-R50 WeakPolarHBondContact ND2-CG 3.39Å; N34-R50 PolarHBondContact OD1-NE 2.83Å; N34-R50 PolarHBondContact OD1-NH2 2.92Å; N34-V78 VanDerWaalsContact CB-O 3.31Å; N34-V78 WeakPolarHBondContact CB-O 3.49Å; N34-V78 PolarHBondContact ND2-O 2.94Å; N34-N79 WeakPolarHBondContact CB-O 3.38Å; N34-K299 VanDerWaalsContact O-CB 3.25Å; N34-K299 WeakPolarHBondContact O-CB 3.41Å
35	A	98.8	Very high	97.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.2	-176.5	0	0	0	0	0	112.9	V33 A48 D80 I81	V33-A35 WeakPolarHBondContact CG1-O 3.18Å; A35-A48 HydrophobicContact CB-CB 4.02Å; A35-A48 PolarHBondContact O-N 2.74Å; A35-D80 WeakPolarHBondContact CB-OD1 3.41Å; A35-I81 HydrophobicContact CB-CG1 3.95Å
36	L	98.9	Very high	97.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.1	-176.1	-63.2	176.6	0	0	0	109.4	V33 L45 F46 T47 E301 W313 A315 V321	V33-L36 HydrophobicContact CG1-CD2 3.87Å; L36-L45 HydrophobicContact CB-CD1 4.46Å; L36-L45 HydrophobicContact CD2-CD1 4.46Å; L36-L45 HydrophobicContact CD2-CD2 4.39Å; L36-F46 WeakPolarHBondContact CA-O 3.38Å; L36-T47 HydrophobicContact CD2-CG2 3.73Å; L36-E301 HydrophobicContact CB-CB 3.82Å; L36-E301 HydrophobicContact CD1-CB 4.33Å; L36-W313 HydrophobicContact CD1-CB 3.92Å; L36-A315 HydrophobicContact CD1-CB 3.78Å; L36-A315 HydrophobicContact CD2-CB 4.11Å; L36-A315 HydrophobicContact CG-CB 3.8Å; L36-V321 HydrophobicContact CD1-CG1 4.41Å; L36-V321 HydrophobicContact CD2-CG1 4.01Å
37	Q	98.7	Very high	97.9	Very high	36 Å²	36	31.2 Å²	31.2	17%	0.168	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.5	167.8	-76.4	-68.1	-75.5	0	0	109.5	F46 I81 L83	Q37-F46 HydrophobicContact CB-CB 4.29Å; Q37-F46 PolarHBondContact N-O 3Å; Q37-F46 VanDerWaalsContact N-O 3.13Å; Q37-F46 PolarHBondContact O-N 2.98Å; Q37-I81 HydrophobicContact CB-CD1 4.14Å; Q37-I81 HydrophobicContact CG-CB 4.45Å; Q37-I81 HydrophobicContact CG-CD1 4.09Å; Q37-I81 HydrophobicContact CG-CG1 3.92Å; Q37-I81 WeakPolarHBondContact CG-O 3.48Å; Q37-L83 HydrophobicContact CB-CB 4.03Å; Q37-L83 HydrophobicContact CG-CB 4.22Å; Q37-L83 VanDerWaalsContact OE1-N 3.15Å
38	L	98.2	Very high	98	Very high	21 Å²	21	28.7 Å²	28.7	11%	0.11	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.6	177.9	-170.3	70.5	0	0	0	109.9	P40 L45 V59 E301 D303	L38-P40 VanDerWaalsContact O-CD 3.26Å; L38-P40 WeakPolarHBondContact O-CD 3.25Å; L38-L45 HydrophobicContact CD1-CB 4.28Å; L38-L45 HydrophobicContact CD1-CD1 4.09Å; L38-V59 HydrophobicContact CD1-CG1 3.96Å; L38-V59 HydrophobicContact CD1-CG2 4.41Å; L38-E301 HydrophobicContact CB-CG 4.06Å; L38-D303 HydrophobicContact CD2-CB 4.48Å
39	D	97.6	Very high	98	Very high	5 Å²	5	25 Å²	25	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	103.6	165.5	-173.9	-17.9	0	0	0	108.9	A41 L42 N43 R44 F46 L83	D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 3.37Å; D39-A41 WeakPolarHBondContact OD1-CB 3.39Å; D39-A41 PolarHBondContact OD1-N 3.43Å; D39-L42 PolarHBondContact OD1-N 2.79Å; D39-L42 WeakPolarHBondContact OD2-CD1 2.89Å; D39-L42 WeakPolarHBondContact OD2-CG 3.39Å; D39-N43 WeakPolarHBondContact O-CA 3.32Å; D39-N43 PolarHBondContact O-N 3.08Å; D39-R44 HydrophobicContact CB-CB 4.14Å; D39-R44 PolarHBondContact N-O 3.09Å; D39-R44 PolarHBondContact O-N 2.85Å; D39-R44 VanDerWaalsContact O-N 3.1Å; D39-F46 HydrophobicContact CB-CE2 4.28Å; D39-L83 HydrophobicContact CB-CD2 3.64Å
40	P	94.3	Very high	98	Very high	92 Å²	92	27.1 Å²	27.1	60%	0.597	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.1	179.2	30.8	-36.1	0	0	0	113	L38 N43	L38-P40 VanDerWaalsContact O-CD 3.26Å; L38-P40 WeakPolarHBondContact O-CD 3.25Å; P40-N43 PolarHBondContact O-OD1 2.73Å
41	A	95.2	Very high	98	Very high	84 Å²	84	25.3 Å²	25.3	69%	0.694	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-37.8	-178.9	0	0	0	0	0	111.4	D39	D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 3.37Å; D39-A41 WeakPolarHBondContact OD1-CB 3.39Å; D39-A41 PolarHBondContact OD1-N 3.43Å
42	L	96.1	Very high	98	Very high	73 Å²	73	24.8 Å²	24.8	38%	0.382	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.4	-179.3	-60.4	-177.4	0	0	0	113.9	D39 R44	D39-L42 PolarHBondContact OD1-N 2.79Å; D39-L42 WeakPolarHBondContact OD2-CD1 2.89Å; D39-L42 WeakPolarHBondContact OD2-CG 3.39Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 HydrophobicContact CB-CG 3.85Å; L42-R44 PolarHBondContact O-N 2.9Å
43	N	96.5	Very high	98	Very high	68 Å²	68	24.8 Å²	24.8	36%	0.364	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	52.8	-170.6	-69.1	-17.8	0	0	0	111.2	D39 P40 V59 N60	D39-N43 WeakPolarHBondContact O-CA 3.32Å; D39-N43 PolarHBondContact O-N 3.08Å; P40-N43 PolarHBondContact O-OD1 2.73Å; N43-V59 HydrophobicContact CB-CG2 3.73Å; N43-V59 WeakPolarHBondContact O-CG2 3.49Å; N43-V59 PolarHBondContact O-N 3.1Å; N43-N60 PolarHBondContact ND2-OD1 3.08Å
44	R	97.7	Very high	98	Very high	60 Å²	60	24.8 Å²	24.8	23%	0.226	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.6	179.3	-64.6	178.2	179.6	-166.8	-0.8	111.4	D39 L42 F46 I56 W57 I68	D39-R44 HydrophobicContact CB-CB 4.14Å; D39-R44 PolarHBondContact N-O 3.09Å; D39-R44 PolarHBondContact O-N 2.85Å; D39-R44 VanDerWaalsContact O-N 3.1Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 HydrophobicContact CB-CG 3.85Å; L42-R44 PolarHBondContact O-N 2.9Å; R44-F46 HydrophobicContact CB-CE2 4.31Å; R44-I56 HydrophobicContact CB-CG2 4.18Å; R44-I56 HydrophobicContact CG-CG2 4.32Å; R44-W57 CarbonylContact C-O 3.17Å; R44-W57 WeakPolarHBondContact CA-O 3.43Å; R44-I68 HydrophobicContact CG-CD1 4.01Å
45	L	98.5	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.6	169.4	-176.9	75.5	0	0	0	109.1	L36 L38 T47 W57 V59 W313 V321 I357	L36-L45 HydrophobicContact CB-CD1 4.46Å; L36-L45 HydrophobicContact CD2-CD1 4.46Å; L36-L45 HydrophobicContact CD2-CD2 4.39Å; L38-L45 HydrophobicContact CD1-CB 4.28Å; L38-L45 HydrophobicContact CD1-CD1 4.09Å; L45-T47 HydrophobicContact CD2-CG2 4.15Å; L45-T47 HydrophobicContact CG-CG2 4.44Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 PolarHBondContact N-O 3.34Å; L45-W57 PolarHBondContact O-N 3.44Å; L45-V59 HydrophobicContact CB-CG1 3.64Å; L45-W313 HydrophobicContact CD1-CD2 4.41Å; L45-W313 HydrophobicContact CD1-CG 4.19Å; L45-W313 HydrophobicContact CD2-CD2 3.83Å; L45-W313 HydrophobicContact CD2-CE3 3.68Å; L45-W313 HydrophobicContact CD2-CG 4.37Å; L45-W313 HydrophobicContact CD2-CH2 4.37Å; L45-W313 HydrophobicContact CD2-CZ3 3.96Å; L45-V321 HydrophobicContact CD2-CG1 4.27Å; L45-I357 HydrophobicContact CD2-CD1 3.56Å
46	F	98.8	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131	170.1	-64.7	-97.6	0	0	0	109.2	L36 Q37 D39 R44 I54 R55 I56 M71 I81 L83 L90 A104	L36-F46 WeakPolarHBondContact CA-O 3.38Å; Q37-F46 HydrophobicContact CB-CB 4.29Å; Q37-F46 PolarHBondContact N-O 3Å; Q37-F46 VanDerWaalsContact N-O 3.13Å; Q37-F46 PolarHBondContact O-N 2.98Å; D39-F46 HydrophobicContact CB-CE2 4.28Å; R44-F46 HydrophobicContact CB-CE2 4.31Å; F46-I54 HydrophobicContact CD1-CG2 4.48Å; F46-R55 CarbonylContact C-O 3.53Å; F46-R55 VanDerWaalsContact CA-O 3.31Å; F46-R55 WeakPolarHBondContact CA-O 3.31Å; F46-I56 HydrophobicContact CD1-CD1 4.42Å; F46-I56 HydrophobicContact CD1-CG1 3.86Å; F46-I56 HydrophobicContact CD1-CG2 4.46Å; F46-I56 HydrophobicContact CE1-CB 4.38Å; F46-I56 HydrophobicContact CE1-CD1 3.7Å; F46-I56 HydrophobicContact CE1-CG1 3.62Å; F46-I56 HydrophobicContact CE1-CG2 4.06Å; F46-I56 HydrophobicContact CZ-CD1 4.4Å; F46-I56 HydrophobicContact CZ-CG2 4.19Å; F46-M71 HydrophobicContact CD1-SD 4.4Å; F46-M71 HydrophobicContact CE1-SD 4.3Å; F46-I81 HydrophobicContact CB-CD1 3.74Å; F46-L83 HydrophobicContact CD2-CD1 4.36Å; F46-L83 HydrophobicContact CD2-CD2 4.29Å; F46-L83 HydrophobicContact CE2-CD1 3.85Å; F46-L83 HydrophobicContact CE2-CD2 3.95Å; F46-L83 HydrophobicContact CZ-CD1 4.09Å; F46-L90 HydrophobicContact CB-CD1 4.18Å; F46-L90 HydrophobicContact CD1-CD1 3.75Å; F46-L90 HydrophobicContact CD2-CD1 4.47Å; F46-L90 HydrophobicContact CE1-CD1 4.22Å; F46-L90 HydrophobicContact CG-CD1 3.89Å; F46-A104 HydrophobicContact CE1-CB 4.18Å; F46-A104 HydrophobicContact CZ-CB 4.02Å
47	T	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.2	175.5	60.5	0	0	0	0	110.2	V33 L36 L45 I54 R55 W57 V321	V33-T47 HydrophobicContact CG1-CG2 4.37Å; L36-T47 HydrophobicContact CD2-CG2 3.73Å; L45-T47 HydrophobicContact CD2-CG2 4.15Å; L45-T47 HydrophobicContact CG-CG2 4.44Å; T47-I54 VanDerWaalsContact O-CA 3.29Å; T47-I54 WeakPolarHBondContact O-CA 3.41Å; T47-R55 PolarHBondContact N-O 2.91Å; T47-R55 PolarHBondContact O-N 2.97Å; T47-W57 VanDerWaalsContact CG2-NE1 3.28Å; T47-W57 PolarHBondContact OG1-NE1 3.43Å; T47-V321 HydrophobicContact CG2-CG2 4.03Å
48	A	98.9	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	101.3	173.4	0	0	0	0	0	110.6	N34 A35 V78 I81	N34-A48 PolarHBondContact N-O 2.9Å; A35-A48 HydrophobicContact CB-CB 4.02Å; A35-A48 PolarHBondContact O-N 2.74Å; A48-V78 HydrophobicContact CB-CB 3.94Å; A48-V78 HydrophobicContact CB-CG1 3.69Å; A48-I81 HydrophobicContact CB-CB 4.48Å; A48-I81 HydrophobicContact CB-CD1 4.01Å; A48-I81 HydrophobicContact CB-CG1 3.9Å; A48-I81 HydrophobicContact CB-CG2 3.84Å
49	G	98.7	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	146.2	-176.5	0	0	0	0	0	113.7	D51 S52 I53 V78	G49-D51 WeakPolarHBondContact CA-OD1 3.13Å; G49-D51 PolarHBondContact O-N 2.95Å; G49-S52 PolarHBondContact O-N 3.37Å; G49-I53 PolarHBondContact N-O 3.39Å; G49-V78 PolarHBondContact O-N 3.19Å
50	R	98.8	Very high	97.7	Very high	44 Å²	44	25.2 Å²	25.2	17%	0.166	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.7	162.6	-73.8	-178.6	178.4	-166.9	-3.1	112.4	N31 G32 N34 S52 W77	N31-R50 HydrophobicContact CB-CB 3.79Å; G32-R50 VanDerWaalsContact O-CB 3.26Å; G32-R50 WeakPolarHBondContact O-CB 3.41Å; G32-R50 VanDerWaalsContact O-CG 3.31Å; G32-R50 WeakPolarHBondContact O-CG 3.25Å; G32-R50 PolarHBondContact O-N 3.39Å; N34-R50 VanDerWaalsContact ND2-CG 3.28Å; N34-R50 WeakPolarHBondContact ND2-CG 3.39Å; N34-R50 PolarHBondContact OD1-NE 2.83Å; N34-R50 PolarHBondContact OD1-NH2 2.92Å; R50-S52 PolarHBondContact O-N 3.2Å; R50-W77 HydrophobicContact CB-CD2 4.06Å; R50-W77 HydrophobicContact CB-CG 3.95Å; R50-W77 HydrophobicContact CG-CB 4.45Å; R50-W77 HydrophobicContact CG-CD2 3.69Å; R50-W77 HydrophobicContact CG-CE3 3.98Å; R50-W77 HydrophobicContact CG-CG 3.91Å; R50-W77 PolarHBondContact O-NE1 2.91Å
51	D	98.6	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	14.2	174.2	66.4	-5.7	0	0	0	114	N29 R30 N31 G49 I53 R55 T426 M428	N29-D51 WeakPolarHBondContact CA-OD2 3.42Å; R30-D51 HydrophobicContact CB-CB 3.95Å; R30-D51 PolarHBondContact N-OD2 3.4Å; N31-D51 HydrophobicContact CB-CB 4.23Å; G49-D51 WeakPolarHBondContact CA-OD1 3.13Å; G49-D51 PolarHBondContact O-N 2.95Å; D51-I53 PolarHBondContact O-N 2.99Å; D51-I53 PolarHBondContact OD1-N 3.41Å; D51-R55 VanDerWaalsContact CG-NH1 3.35Å; D51-R55 IonicContact OD1-NH1 2.78Å; D51-R55 PolarHBondContact OD1-NH1 3.2Å; D51-R55 VanDerWaalsContact OD1-NH1 3.16Å; D51-R55 IonicContact OD2-CZ 2.76Å; D51-R55 IonicContact OD2-NH1 3.24Å; D51-R55 PolarHBondContact OD2-NH1 2.7Å; D51-R55 IonicContact OD2-NH2 2.95Å; D51-R55 PolarHBondContact OD2-NH2 2.95Å; D51-T426 VanDerWaalsContact CA-O 3.28Å; D51-T426 WeakPolarHBondContact CA-O 3.37Å; D51-T426 WeakPolarHBondContact CB-O 3.46Å; D51-M428 HydrophobicContact CB-CE 4.18Å; D51-M428 WeakPolarHBondContact O-CE 3.45Å
52	S	98.6	Very high	96.9	Very high	14 Å²	14	30.4 Å²	30.4	10%	0.098	15%	0.147	C	C	.	.	S	Bend	trans	69.5	7.6	-179.7	90.2	0	0	0	0	116.3	G49 R50 H74 D76	G49-S52 PolarHBondContact O-N 3.37Å; R50-S52 PolarHBondContact O-N 3.2Å; S52-H74 VanDerWaalsContact CB-O 3.31Å; S52-H74 WeakPolarHBondContact CB-O 3.25Å; S52-H74 PolarHBondContact OG-O 3.17Å; S52-D76 VanDerWaalsContact CA-O 3.27Å; S52-D76 WeakPolarHBondContact CA-O 3.3Å; S52-D76 WeakPolarHBondContact CB-O 3.2Å
53	I	98.8	Very high	96.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.1	-176	-57.9	166.1	0	0	0	110.1	E26 G49 D51 R55 E72	E26-I53 HydrophobicContact CB-CD1 4.19Å; G49-I53 PolarHBondContact N-O 3.39Å; D51-I53 PolarHBondContact O-N 2.99Å; D51-I53 PolarHBondContact OD1-N 3.41Å; I53-R55 HydrophobicContact CG2-CG 3.92Å; I53-E72 HydrophobicContact CD1-CG 4.4Å; I53-E72 HydrophobicContact CG1-CG 4.05Å; I53-E72 HydrophobicContact CG2-CG 3.99Å
54	I	98.9	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.1	168.1	-59.8	161.7	0	0	0	107.7	F46 T47 M71 V78 I81 L90 W102	F46-I54 HydrophobicContact CD1-CG2 4.48Å; T47-I54 VanDerWaalsContact O-CA 3.29Å; T47-I54 WeakPolarHBondContact O-CA 3.41Å; I54-M71 HydrophobicContact CB-CB 4.12Å; I54-M71 HydrophobicContact CB-SD 4.48Å; I54-M71 HydrophobicContact CG2-SD 4.02Å; I54-M71 PolarHBondContact N-O 3.34Å; I54-M71 PolarHBondContact O-N 3.34Å; I54-V78 HydrophobicContact CD1-CG1 4.02Å; I54-V78 HydrophobicContact CG1-CB 4.4Å; I54-V78 HydrophobicContact CG1-CG1 3.96Å; I54-V78 HydrophobicContact CG1-CG2 4.09Å; I54-I81 HydrophobicContact CD1-CG2 3.86Å; I54-I81 HydrophobicContact CG1-CG2 4.24Å; I54-L90 HydrophobicContact CD1-CD2 3.85Å; I54-L90 HydrophobicContact CG2-CD2 4.35Å; I54-W102 HydrophobicContact CD1-CZ2 4.08Å
55	R	98.8	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147	-179.5	-62.5	179	179.6	74.9	-0.6	111.7	E26 K27 Y28 N29 F46 T47 D51 I53 W57 A69	E26-R55 PolarHBondContact O-NE 3.47Å; E26-R55 PolarHBondContact O-NH2 2.84Å; K27-R55 VanDerWaalsContact O-CD 3.31Å; K27-R55 WeakPolarHBondContact O-CD 3.36Å; K27-R55 PolarHBondContact O-NE 2.83Å; Y28-R55 PolarHBondContact O-NH2 3.47Å; N29-R55 PolarHBondContact OD1-NH1 2.84Å; F46-R55 CarbonylContact C-O 3.53Å; F46-R55 VanDerWaalsContact CA-O 3.31Å; F46-R55 WeakPolarHBondContact CA-O 3.31Å; T47-R55 PolarHBondContact N-O 2.91Å; T47-R55 PolarHBondContact O-N 2.97Å; D51-R55 VanDerWaalsContact CG-NH1 3.35Å; D51-R55 IonicContact OD1-NH1 2.78Å; D51-R55 PolarHBondContact OD1-NH1 3.2Å; D51-R55 VanDerWaalsContact OD1-NH1 3.16Å; D51-R55 IonicContact OD2-CZ 2.76Å; D51-R55 IonicContact OD2-NH1 3.24Å; D51-R55 PolarHBondContact OD2-NH1 2.7Å; D51-R55 IonicContact OD2-NH2 2.95Å; D51-R55 PolarHBondContact OD2-NH2 2.95Å; I53-R55 HydrophobicContact CG2-CG 3.92Å; R55-W57 HydrophobicContact CB-CZ2 3.76Å; R55-W57 HydrophobicContact CG-CZ2 4.28Å; R55-A69 WeakPolarHBondContact CA-O 3.2Å
56	I	98.5	Very high	96.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.5	178	-42.9	-177.5	0	0	0	108.7	R44 F46 I68 A69 M71	R44-I56 HydrophobicContact CB-CG2 4.18Å; R44-I56 HydrophobicContact CG-CG2 4.32Å; F46-I56 HydrophobicContact CD1-CD1 4.42Å; F46-I56 HydrophobicContact CD1-CG1 3.86Å; F46-I56 HydrophobicContact CD1-CG2 4.46Å; F46-I56 HydrophobicContact CE1-CB 4.38Å; F46-I56 HydrophobicContact CE1-CD1 3.7Å; F46-I56 HydrophobicContact CE1-CG1 3.62Å; F46-I56 HydrophobicContact CE1-CG2 4.06Å; F46-I56 HydrophobicContact CZ-CD1 4.4Å; F46-I56 HydrophobicContact CZ-CG2 4.19Å; I56-I68 HydrophobicContact CB-CB 4.16Å; I56-I68 HydrophobicContact CG2-CB 4.25Å; I56-I68 HydrophobicContact CG2-CD1 4.08Å; I56-I68 WeakPolarHBondContact O-CB 3.3Å; I56-I68 PolarHBondContact O-N 2.75Å; I56-A69 HydrophobicContact CD1-CB 4.31Å; I56-A69 PolarHBondContact N-O 3.47Å; I56-M71 HydrophobicContact CD1-CG 4.43Å; I56-M71 HydrophobicContact CD1-SD 4Å; I56-M71 HydrophobicContact CG1-SD 4.08Å
57	W	98.4	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142	-178.1	-49	92.7	0	0	0	110.7	K27 Y28 R44 L45 T47 R55 P66 Y67 I357	K27-W57 WeakPolarHBondContact O-CH2 3.23Å; Y28-W57 HydrophobicContact CD1-CH2 4.04Å; Y28-W57 HydrophobicContact CD1-CZ3 4.34Å; R44-W57 CarbonylContact C-O 3.17Å; R44-W57 WeakPolarHBondContact CA-O 3.43Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 PolarHBondContact N-O 3.34Å; L45-W57 PolarHBondContact O-N 3.44Å; T47-W57 VanDerWaalsContact CG2-NE1 3.28Å; T47-W57 PolarHBondContact OG1-NE1 3.43Å; R55-W57 HydrophobicContact CB-CZ2 3.76Å; R55-W57 HydrophobicContact CG-CZ2 4.28Å; W57-P66 CarbonylContact C-O 3.59Å; W57-P66 VanDerWaalsContact CA-O 3.24Å; W57-P66 WeakPolarHBondContact CA-O 3.28Å; W57-P66 HydrophobicContact CE3-CB 4.31Å; W57-P66 HydrophobicContact CE3-CG 4.1Å; W57-Y67 HydrophobicContact CH2-CD2 4.24Å; W57-Y67 HydrophobicContact CZ3-CD2 4.04Å; W57-Y67 HydrophobicContact CZ3-CG 4.44Å; W57-I357 HydrophobicContact CB-CD1 3.89Å; W57-I357 HydrophobicContact CD2-CD1 4.11Å; W57-I357 HydrophobicContact CD2-CG1 4.5Å; W57-I357 HydrophobicContact CD2-CG2 3.67Å; W57-I357 HydrophobicContact CE3-CG2 3.66Å; W57-I357 HydrophobicContact CG-CD1 3.73Å; W57-I357 HydrophobicContact CG-CG2 4.4Å; W57-I357 HydrophobicContact CH2-CG2 3.7Å; W57-I357 HydrophobicContact CZ2-CG2 3.69Å; W57-I357 HydrophobicContact CZ3-CG2 3.69Å
58	S	97.4	Very high	95.9	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.7	165.6	-166.2	0	0	0	0	109.7	P66	S58-P66 PolarHBondContact N-O 3.01Å; S58-P66 WeakPolarHBondContact O-CB 3.44Å
59	V	96.3	Very high	95.9	Very high	20 Å²	20	47.2 Å²	47.2	12%	0.121	23%	0.231	C	C	.	.			trans	-90.8	0.2	176.5	-56.5	0	0	0	0	113.5	L38 N43 L45 Q61 W313 Q355	L38-V59 HydrophobicContact CD1-CG1 3.96Å; L38-V59 HydrophobicContact CD1-CG2 4.41Å; N43-V59 HydrophobicContact CB-CG2 3.73Å; N43-V59 WeakPolarHBondContact O-CG2 3.49Å; N43-V59 PolarHBondContact O-N 3.1Å; L45-V59 HydrophobicContact CB-CG1 3.64Å; V59-Q61 PolarHBondContact O-N 2.98Å; V59-W313 HydrophobicContact CB-CZ2 3.84Å; V59-W313 HydrophobicContact CG1-CH2 4.23Å; V59-W313 HydrophobicContact CG1-CZ2 3.46Å; V59-W313 VanDerWaalsContact CG1-CZ2 3.46Å; V59-Q355 PolarHBondContact O-NE2 2.76Å; V59-Q355 PolarHBondContact O-OE1 3.38Å
60	N	94.3	Very high	95.9	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.353	24%	0.239	S	C	.	.			trans	-67.4	113.5	176.1	-66.6	-33	0	0	0	110.3	N43 H62 K63	N43-N60 PolarHBondContact ND2-OD1 3.08Å; N60-H62 PolarHBondContact O-N 2.89Å; N60-H62 VanDerWaalsContact O-N 3.1Å; N60-K63 PolarHBondContact O-N 3.46Å; N60-K63 VanDerWaalsContact O-N 3.16Å
61	Q	85.6	Confident	95.8	Very high	100 Å²	100	46.3 Å²	46.3	47%	0.467	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.9	-172.9	-73.8	179.9	-35.7	0	0	114.8	V59 K63 D354	V59-Q61 PolarHBondContact O-N 2.98Å; Q61-K63 VanDerWaalsContact C-N 3.27Å; Q61-K63 PolarHBondContact O-N 2.78Å; Q61-D354 PolarHBondContact NE2-OD1 2.76Å; Q61-D354 PolarHBondContact NE2-OD2 3.26Å
62	H	88.6	Confident	95.8	Very high	185 Å²	185	48.8 Å²	48.8	86%	0.856	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.6	-179.7	-53.2	-50.1	0	0	0	113.8	N60	N60-H62 PolarHBondContact O-N 2.89Å; N60-H62 VanDerWaalsContact O-N 3.1Å
63	K	88.4	Confident	95.7	Very high	114 Å²	114	51 Å²	51	50%	0.496	25%	0.252	S	S	.	.			trans	-80.9	121.9	176.5	-72.7	-166.8	176	-176.6	0	110.5	N60 Q61 D65	N60-K63 PolarHBondContact O-N 3.46Å; N60-K63 VanDerWaalsContact O-N 3.16Å; Q61-K63 VanDerWaalsContact C-N 3.27Å; Q61-K63 PolarHBondContact O-N 2.78Å; K63-D65 VanDerWaalsContact C-N 3.28Å; K63-D65 PolarHBondContact O-N 2.97Å
64	Q	90.8	Very high	95.7	Very high	203 Å²	203	51 Å²	51	95%	0.949	25%	0.252	S	S	*	.	S	Bend	trans	-62.3	-37.4	174.6	-67.9	179.7	-9.4	0	0	112.3
65	D	94.4	Very high	95.7	Very high	68 Å²	68	51.8 Å²	51.8	36%	0.364	26%	0.256	S	S	.	.			trans	-115.9	108	176.8	-176.1	18.4	0	0	0	110.2	K27 K63 Y67	K27-D65 WeakPolarHBondContact CE-OD1 3.43Å; K27-D65 WeakPolarHBondContact CE-OD2 3.43Å; K27-D65 IonicContact NZ-OD1 3.58Å; K27-D65 PolarHBondContact NZ-OD1 2.87Å; K27-D65 IonicContact NZ-OD2 3.94Å; K27-D65 PolarHBondContact NZ-OD2 3.44Å; K63-D65 VanDerWaalsContact C-N 3.28Å; K63-D65 PolarHBondContact O-N 2.97Å; D65-Y67 VanDerWaalsContact C-N 3.29Å; D65-Y67 PolarHBondContact O-N 3.36Å; D65-Y67 WeakPolarHBondContact OD1-CB 3.21Å; D65-Y67 PolarHBondContact OD1-N 3.19Å
66	P	96.9	Very high	95.6	Very high	24 Å²	24	52.4 Å²	52.4	16%	0.156	26%	0.26	C	S	.	.			trans	-77.6	-13.7	-178.8	30.3	-34.2	0	0	0	112.9	W57 S58	W57-P66 CarbonylContact C-O 3.59Å; W57-P66 VanDerWaalsContact CA-O 3.24Å; W57-P66 WeakPolarHBondContact CA-O 3.28Å; W57-P66 HydrophobicContact CE3-CB 4.31Å; W57-P66 HydrophobicContact CE3-CG 4.1Å; S58-P66 PolarHBondContact N-O 3.01Å; S58-P66 WeakPolarHBondContact O-CB 3.44Å
67	Y	97.9	Very high	95.6	Very high	53 Å²	53	55.4 Å²	55.4	21%	0.208	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.3	-175.9	176	-101.9	0	0	0	112.3	K27 W57 D65 S70	K27-Y67 HydrophobicContact CD-CD1 4.18Å; K27-Y67 HydrophobicContact CD-CG 4.16Å; K27-Y67 HydrophobicContact CG-CD1 3.77Å; K27-Y67 HydrophobicContact CG-CD2 3.65Å; K27-Y67 HydrophobicContact CG-CE1 4.1Å; K27-Y67 HydrophobicContact CG-CE2 4.01Å; K27-Y67 HydrophobicContact CG-CG 3.52Å; K27-Y67 WeakPolarHBondContact O-CD2 3.41Å; W57-Y67 HydrophobicContact CH2-CD2 4.24Å; W57-Y67 HydrophobicContact CZ3-CD2 4.04Å; W57-Y67 HydrophobicContact CZ3-CG 4.44Å; D65-Y67 VanDerWaalsContact C-N 3.29Å; D65-Y67 PolarHBondContact O-N 3.36Å; D65-Y67 WeakPolarHBondContact OD1-CB 3.21Å; D65-Y67 PolarHBondContact OD1-N 3.19Å; Y67-S70 PolarHBondContact OH-N 2.84Å; Y67-S70 PolarHBondContact OH-OG 2.96Å
68	I	97.2	Very high	95.7	Very high	62 Å²	62	55.4 Å²	55.4	32%	0.318	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-57.4	174.9	-60.8	174.5	0	0	0	110.6	R44 I56	R44-I68 HydrophobicContact CG-CD1 4.01Å; I56-I68 HydrophobicContact CB-CB 4.16Å; I56-I68 HydrophobicContact CG2-CB 4.25Å; I56-I68 HydrophobicContact CG2-CD1 4.08Å; I56-I68 WeakPolarHBondContact O-CB 3.3Å; I56-I68 PolarHBondContact O-N 2.75Å
69	A	97.7	Very high	95.7	Very high	31 Å²	31	55.8 Å²	55.8	26%	0.256	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	161.8	-175.9	0	0	0	0	0	112.3	R55 I56	R55-A69 WeakPolarHBondContact CA-O 3.2Å; I56-A69 HydrophobicContact CD1-CB 4.31Å; I56-A69 PolarHBondContact N-O 3.47Å
70	S	98.1	Very high	95.8	Very high	25 Å²	25	55.9 Å²	55.9	18%	0.175	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.4	170.3	-70.6	0	0	0	0	110	Y67	Y67-S70 PolarHBondContact OH-N 2.84Å; Y67-S70 PolarHBondContact OH-OG 2.96Å
71	M	98.4	Very high	96.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	98.4	178.9	-59.6	168.5	60.4	0	0	107.9	F46 I54 I56 L90 W102	F46-M71 HydrophobicContact CD1-SD 4.4Å; F46-M71 HydrophobicContact CE1-SD 4.3Å; I54-M71 HydrophobicContact CB-CB 4.12Å; I54-M71 HydrophobicContact CB-SD 4.48Å; I54-M71 HydrophobicContact CG2-SD 4.02Å; I54-M71 PolarHBondContact N-O 3.34Å; I54-M71 PolarHBondContact O-N 3.34Å; I56-M71 HydrophobicContact CD1-CG 4.43Å; I56-M71 HydrophobicContact CD1-SD 4Å; I56-M71 HydrophobicContact CG1-SD 4.08Å; M71-L90 HydrophobicContact CE-CD2 4.05Å; M71-W102 HydrophobicContact CB-CE3 3.99Å; M71-W102 HydrophobicContact CB-CH2 4.37Å; M71-W102 HydrophobicContact CB-CZ3 3.75Å; M71-W102 HydrophobicContact CE-CB 3.39Å; M71-W102 HydrophobicContact CE-CD2 3.47Å; M71-W102 VanDerWaalsContact CE-CD2 3.47Å; M71-W102 HydrophobicContact CE-CE3 3.41Å; M71-W102 VanDerWaalsContact CE-CE3 3.41Å; M71-W102 HydrophobicContact CE-CG 3.48Å; M71-W102 VanDerWaalsContact CE-CG 3.48Å; M71-W102 HydrophobicContact CE-CZ3 4.28Å
72	E	97.7	Very high	96.7	Very high	52 Å²	52	48.5 Å²	48.5	24%	0.243	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.2	-169.8	-57.3	-158.3	-171.1	0	0	112.1	R22 I53 R527	R22-E72 IonicContact CZ-OE1 3.38Å; R22-E72 IonicContact CZ-OE2 3.81Å; R22-E72 IonicContact NH1-OE1 3.64Å; R22-E72 IonicContact NH1-OE2 2.75Å; R22-E72 PolarHBondContact NH1-OE2 3.4Å; R22-E72 IonicContact NH2-OE1 2.76Å; R22-E72 PolarHBondContact NH2-OE1 3.4Å; R22-E72 IonicContact NH2-OE2 3.1Å; R22-E72 PolarHBondContact NH2-OE2 2.81Å; I53-E72 HydrophobicContact CD1-CG 4.4Å; I53-E72 HydrophobicContact CG1-CG 4.05Å; I53-E72 HydrophobicContact CG2-CG 3.99Å; E72-R527 IonicContact OE2-NH2 3.65Å; E72-R527 PolarHBondContact OE2-NH2 2.88Å
73	H	97.4	Very high	97.2	Very high	60 Å²	60	40.6 Å²	40.6	28%	0.278	20%	0.2	S	C	.	.			trans	-158.9	-33.9	171.9	-161.1	-41.7	0	0	0	112.7	K100 W102 C109 R527	H73-K100 HydrophobicContact CB-CD 3.98Å; H73-K100 PolarHBondContact CE1-NZ 2.99Å; H73-K100 WeakPolarHBondContact ND1-CE 3.22Å; H73-K100 PolarHBondContact ND1-NZ 3.23Å; H73-W102 HydrophobicContact CB-CH2 3.44Å; H73-W102 VanDerWaalsContact CB-CH2 3.44Å; H73-W102 HydrophobicContact CB-CZ2 4.26Å; H73-W102 HydrophobicContact CB-CZ3 4.02Å; H73-C109 HydrophobicContact CB-CB 4.29Å; H73-R527 WeakPolarHBondContact O-CD 3.34Å
74	H	98.1	Very high	97.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.177	C	C	.	.			trans	-64.2	151.5	174.5	-76.2	-59.3	0	0	0	111.5	S52 V78 S92 S94 D96 T98 K100 W102	S52-H74 VanDerWaalsContact CB-O 3.31Å; S52-H74 WeakPolarHBondContact CB-O 3.25Å; S52-H74 PolarHBondContact OG-O 3.17Å; H74-V78 HydrophobicContact CB-CG2 4.02Å; H74-S92 PolarHBondContact NE2-OG 3.1Å; H74-S94 WeakPolarHBondContact CE1-CB 3.32Å; H74-S94 WeakPolarHBondContact ND1-CB 3.5Å; H74-D96 VanDerWaalsContact CA-OD2 3.26Å; H74-D96 WeakPolarHBondContact CA-OD2 3.46Å; H74-D96 WeakPolarHBondContact CB-OD2 3.37Å; H74-D96 IonicContact CE1-OD1 3.51Å; H74-D96 IonicContact CE1-OD2 3.16Å; H74-D96 IonicContact CG-OD2 3.33Å; H74-D96 IonicContact ND1-OD1 2.74Å; H74-D96 PolarHBondContact ND1-OD1 2.73Å; H74-D96 IonicContact ND1-OD2 3.5Å; H74-D96 PolarHBondContact ND1-OD2 2.81Å; H74-T98 PolarHBondContact CE1-OG1 3.39Å; H74-T98 PolarHBondContact ND1-OG1 2.87Å; H74-K100 VanDerWaalsContact CE1-CD 3.44Å; H74-K100 WeakPolarHBondContact CE1-CD 3.49Å; H74-K100 WeakPolarHBondContact ND1-CE 3.44Å; H74-W102 AromaticContact CD2-CZ2 3.87Å
75	T	97.9	Very high	97.8	Very high	15 Å²	15	26.6 Å²	26.6	9%	0.092	14%	0.139	C	C	.	.	S	Bend	trans	-114.4	1.6	-177.2	56.3	0	0	0	0	113.4	D96 I516 T524	T75-D96 PolarHBondContact N-OD2 3.41Å; T75-D96 WeakPolarHBondContact OG1-CB 3.36Å; T75-I516 HydrophobicContact CG2-CD1 3.91Å; T75-I516 HydrophobicContact CG2-CG1 4.11Å; T75-I516 HydrophobicContact CG2-CG2 3.84Å; T75-T524 HydrophobicContact CG2-CG2 3.68Å; T75-T524 PolarHBondContact OG1-OG1 2.82Å
76	D	98.1	Very high	97.7	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.07	16%	0.155	C	C	.	.	S	Bend	trans	-148.1	-176.9	177.5	-145.8	-47	0	0	0	109.2	S52 V78 S94 D96 K425	S52-D76 VanDerWaalsContact CA-O 3.27Å; S52-D76 WeakPolarHBondContact CA-O 3.3Å; S52-D76 WeakPolarHBondContact CB-O 3.2Å; D76-V78 PolarHBondContact O-N 2.72Å; D76-S94 PolarHBondContact O-OG 3.37Å; D76-D96 HydrophobicContact CB-CB 4.04Å; D76-K425 WeakPolarHBondContact OD2-CD 3.27Å; D76-K425 WeakPolarHBondContact OD2-CE 3.3Å; D76-K425 IonicContact OD2-NZ 2.86Å; D76-K425 PolarHBondContact OD2-NZ 2.76Å
77	W	98.7	Very high	97.6	Very high	65 Å²	65	28.6 Å²	28.6	25%	0.246	15%	0.15	C	C	.	.			trans	-52.2	124.6	-175.6	-66.3	10.4	0	0	0	112	R50 N79 S94 S95 K425	R50-W77 HydrophobicContact CB-CD2 4.06Å; R50-W77 HydrophobicContact CB-CG 3.95Å; R50-W77 HydrophobicContact CG-CB 4.45Å; R50-W77 HydrophobicContact CG-CD2 3.69Å; R50-W77 HydrophobicContact CG-CE3 3.98Å; R50-W77 HydrophobicContact CG-CG 3.91Å; R50-W77 PolarHBondContact O-NE1 2.91Å; W77-N79 PolarHBondContact O-N 3.47Å; W77-S94 CarbonylContact O-C 3.55Å; W77-S94 VanDerWaalsContact O-CA 3.24Å; W77-S94 WeakPolarHBondContact O-CA 3.46Å; W77-S94 PolarHBondContact O-OG 2.8Å; W77-S94 VanDerWaalsContact O-OG 3.12Å; W77-S95 PolarHBondContact O-N 2.81Å; W77-K425 PolarHBondContact NE1-O 3.24Å
78	V	98.9	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109.4	165.9	-169.3	0	0	0	0	106.8	N34 A48 G49 I54 H74 D76 I81 A93	N34-V78 VanDerWaalsContact CB-O 3.31Å; N34-V78 WeakPolarHBondContact CB-O 3.49Å; N34-V78 PolarHBondContact ND2-O 2.94Å; A48-V78 HydrophobicContact CB-CB 3.94Å; A48-V78 HydrophobicContact CB-CG1 3.69Å; G49-V78 PolarHBondContact O-N 3.19Å; I54-V78 HydrophobicContact CD1-CG1 4.02Å; I54-V78 HydrophobicContact CG1-CB 4.4Å; I54-V78 HydrophobicContact CG1-CG1 3.96Å; I54-V78 HydrophobicContact CG1-CG2 4.09Å; H74-V78 HydrophobicContact CB-CG2 4.02Å; D76-V78 PolarHBondContact O-N 2.72Å; V78-I81 HydrophobicContact CG1-CG2 3.96Å; V78-A93 CarbonylContact C-O 3.59Å
79	N	98.9	Very high	97.5	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.064	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-35.9	-172.7	-69.2	-56.3	0	0	0	112.1	N34 W77 A93 S95 V120 K121	N34-N79 WeakPolarHBondContact CB-O 3.38Å; W77-N79 PolarHBondContact O-N 3.47Å; N79-A93 PolarHBondContact N-O 2.76Å; N79-S95 PolarHBondContact ND2-N 2.67Å; N79-S95 VanDerWaalsContact ND2-N 3.17Å; N79-S95 PolarHBondContact ND2-OG 3.08Å; N79-V120 WeakPolarHBondContact CB-O 3.49Å; N79-V120 PolarHBondContact ND2-O 3.22Å; N79-K121 VanDerWaalsContact CG-NZ 3.34Å; N79-K121 PolarHBondContact OD1-NZ 3.1Å
80	D	98.9	Very high	97.5	Very high	23 Å²	23	28.2 Å²	28.2	12%	0.123	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.1	-178.9	-152.4	-1.4	0	0	0	112.1	A35 S92 A93 L123	A35-D80 WeakPolarHBondContact CB-OD1 3.41Å; D80-S92 WeakPolarHBondContact O-CA 3.31Å; D80-A93 HydrophobicContact CB-CB 4.39Å; D80-A93 PolarHBondContact N-O 2.88Å; D80-A93 PolarHBondContact O-N 3.02Å; D80-L123 HydrophobicContact CB-CB 4.35Å; D80-L123 HydrophobicContact CB-CD1 4.45Å; D80-L123 HydrophobicContact CB-CG 4.23Å; D80-L123 PolarHBondContact OD2-N 2.83Å
81	I	98.8	Very high	97.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.3	176.7	49	166.5	0	0	0	110.9	A35 Q37 F46 A48 I54 V78 L90 I91	A35-I81 HydrophobicContact CB-CG1 3.95Å; Q37-I81 HydrophobicContact CB-CD1 4.14Å; Q37-I81 HydrophobicContact CG-CB 4.45Å; Q37-I81 HydrophobicContact CG-CD1 4.09Å; Q37-I81 HydrophobicContact CG-CG1 3.92Å; Q37-I81 WeakPolarHBondContact CG-O 3.48Å; F46-I81 HydrophobicContact CB-CD1 3.74Å; A48-I81 HydrophobicContact CB-CB 4.48Å; A48-I81 HydrophobicContact CB-CD1 4.01Å; A48-I81 HydrophobicContact CB-CG1 3.9Å; A48-I81 HydrophobicContact CB-CG2 3.84Å; I54-I81 HydrophobicContact CD1-CG2 3.86Å; I54-I81 HydrophobicContact CG1-CG2 4.24Å; V78-I81 HydrophobicContact CG1-CG2 3.96Å; I81-L90 HydrophobicContact CB-CD1 4.38Å; I81-L90 HydrophobicContact CB-CD2 4.44Å; I81-L90 HydrophobicContact CG2-CD2 4.02Å; I81-I91 CarbonylContact C-O 3.58Å; I81-I91 VanDerWaalsContact CA-O 3.28Å; I81-I91 WeakPolarHBondContact CA-O 3.42Å
82	V	98.7	Very high	97.6	Very high	9 Å²	9	27 Å²	27	6%	0.055	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.4	174.3	165.6	0	0	0	0	108.6	C84 L90 I91 L123 Y125 V132	V82-C84 HydrophobicContact CG1-CB 4.34Å; V82-L90 CarbonylContact O-C 3.6Å; V82-L90 WeakPolarHBondContact O-CA 3.17Å; V82-I91 PolarHBondContact N-O 3.08Å; V82-I91 PolarHBondContact O-N 2.9Å; V82-L123 HydrophobicContact CB-CD1 4.37Å; V82-L123 HydrophobicContact CG2-CB 3.58Å; V82-L123 HydrophobicContact CG2-CD1 4.07Å; V82-L123 HydrophobicContact CG2-CG 4.47Å; V82-Y125 HydrophobicContact CG1-CD1 4.03Å; V82-Y125 HydrophobicContact CG1-CD2 4.06Å; V82-Y125 HydrophobicContact CG1-CG 3.64Å; V82-V132 HydrophobicContact CG1-CG2 4.13Å
83	L	98.4	Very high	97.6	Very high	19 Å²	19	24.5 Å²	24.5	10%	0.099	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.2	170.7	-171.6	72.1	0	0	0	109.3	Q37 D39 F46 L90 A104	Q37-L83 HydrophobicContact CB-CB 4.03Å; Q37-L83 HydrophobicContact CG-CB 4.22Å; Q37-L83 VanDerWaalsContact OE1-N 3.15Å; D39-L83 HydrophobicContact CB-CD2 3.64Å; F46-L83 HydrophobicContact CD2-CD1 4.36Å; F46-L83 HydrophobicContact CD2-CD2 4.29Å; F46-L83 HydrophobicContact CE2-CD1 3.85Å; F46-L83 HydrophobicContact CE2-CD2 3.95Å; F46-L83 HydrophobicContact CZ-CD1 4.09Å; L83-L90 HydrophobicContact CD1-CB 4.34Å; L83-L90 HydrophobicContact CD1-CD1 4.08Å; L83-A104 HydrophobicContact CD1-CB 3.9Å
84	C	96.8	Very high	97.7	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	176.8	-173.5	54.2	0	0	0	0	112.1	V82 N86 G87 K88 T89 Y125	V82-C84 HydrophobicContact CG1-CB 4.34Å; C84-N86 VanDerWaalsContact C-N 3.34Å; C84-N86 PolarHBondContact O-N 2.79Å; C84-G87 PolarHBondContact O-N 3.04Å; C84-K88 PolarHBondContact O-N 3.06Å; C84-T89 PolarHBondContact N-O 3.43Å; C84-T89 PolarHBondContact O-N 3.15Å; C84-T89 PolarHBondContact SG-O 3.44Å; C84-Y125 HydrophobicContact CB-CD2 4.23Å; C84-Y125 HydrophobicContact CB-CE1 4.15Å; C84-Y125 HydrophobicContact CB-CE2 3.49Å; C84-Y125 VanDerWaalsContact CB-CE2 3.49Å; C84-Y125 VanDerWaalsContact CB-CZ 3.44Å; C84-Y125 WeakPolarHBondContact CB-OH 3.38Å
85	C	95.8	Very high	97.7	Very high	21 Å²	21	21.7 Å²	21.7	14%	0.142	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	47.3	-178.8	-53.1	0	0	0	0	113.5	G87 K88 E130 V146	C85-G87 PolarHBondContact O-N 3.27Å; C85-K88 HydrophobicContact CB-CB 4.46Å; C85-K88 WeakPolarHBondContact O-CB 3.44Å; C85-K88 WeakPolarHBondContact O-CG 3.49Å; C85-K88 PolarHBondContact O-N 3.46Å; C85-E130 PolarHBondContact N-OE2 3.2Å; C85-E130 VanDerWaalsContact N-OE2 3.16Å; C85-E130 PolarHBondContact SG-OE2 2.94Å; C85-V146 WeakPolarHBondContact SG-CG1 3.42Å
86	N	92.8	Very high	97.6	Very high	129 Å²	129	21.3 Å²	21.3	69%	0.69	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	43.5	-179	-60.3	16.2	0	0	0	113.8	C84 K88	C84-N86 VanDerWaalsContact C-N 3.34Å; C84-N86 PolarHBondContact O-N 2.79Å; N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 3.28Å
87	G	93.9	Very high	97.6	Very high	5 Å²	5	21.1 Å²	21.1	5%	0.052	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-5.1	176	0	0	0	0	0	114.9	C84 C85 A104 H105	C84-G87 PolarHBondContact O-N 3.04Å; C85-G87 PolarHBondContact O-N 3.27Å; G87-A104 WeakPolarHBondContact O-CB 2.83Å; G87-H105 PolarHBondContact O-CD2 3.03Å; G87-H105 VanDerWaalsContact O-CD2 3.24Å; G87-H105 PolarHBondContact O-NE2 3.03Å
88	K	96	Very high	97.5	Very high	127 Å²	127	18.2 Å²	18.2	55%	0.552	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-34.4	-177.6	-65.4	176.9	-178	175.7	0	113.2	C84 C85 N86 A104	C84-K88 PolarHBondContact O-N 3.06Å; C85-K88 HydrophobicContact CB-CB 4.46Å; C85-K88 WeakPolarHBondContact O-CB 3.44Å; C85-K88 WeakPolarHBondContact O-CG 3.49Å; C85-K88 PolarHBondContact O-N 3.46Å; N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 3.28Å; K88-A104 PolarHBondContact O-N 2.87Å
89	T	97.6	Very high	97.4	Very high	11 Å²	11	18.2 Å²	18.2	7%	0.067	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.5	-171.2	-54.3	0	0	0	0	109.7	C84 I91 V101 W102 V146 T150	C84-T89 PolarHBondContact N-O 3.43Å; C84-T89 PolarHBondContact O-N 3.15Å; C84-T89 PolarHBondContact SG-O 3.44Å; T89-I91 HydrophobicContact CG2-CD1 4.16Å; T89-V101 HydrophobicContact CG2-CG1 4.09Å; T89-W102 WeakPolarHBondContact CA-O 3.37Å; T89-V146 HydrophobicContact CG2-CG1 3.96Å; T89-T150 HydrophobicContact CG2-CG2 3.8Å
90	L	98.6	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.6	170.6	-174.3	123.5	0	0	0	109	F46 I54 M71 I81 V82 L83 W102 A104	F46-L90 HydrophobicContact CB-CD1 4.18Å; F46-L90 HydrophobicContact CD1-CD1 3.75Å; F46-L90 HydrophobicContact CD2-CD1 4.47Å; F46-L90 HydrophobicContact CE1-CD1 4.22Å; F46-L90 HydrophobicContact CG-CD1 3.89Å; I54-L90 HydrophobicContact CD1-CD2 3.85Å; I54-L90 HydrophobicContact CG2-CD2 4.35Å; M71-L90 HydrophobicContact CE-CD2 4.05Å; I81-L90 HydrophobicContact CB-CD1 4.38Å; I81-L90 HydrophobicContact CB-CD2 4.44Å; I81-L90 HydrophobicContact CG2-CD2 4.02Å; V82-L90 CarbonylContact O-C 3.6Å; V82-L90 WeakPolarHBondContact O-CA 3.17Å; L83-L90 HydrophobicContact CD1-CB 4.34Å; L83-L90 HydrophobicContact CD1-CD1 4.08Å; L90-W102 HydrophobicContact CB-CB 4.22Å; L90-W102 HydrophobicContact CD2-CG 4.22Å; L90-W102 PolarHBondContact N-O 3.13Å; L90-W102 VanDerWaalsContact O-CD1 3.26Å; L90-W102 PolarHBondContact O-N 3.45Å; L90-A104 HydrophobicContact CB-CB 3.92Å
91	I	98.6	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.2	171.8	-50.8	-63.2	0	0	0	107.6	I81 V82 T89 V99 K100 V101 L123 V132 L149	I81-I91 CarbonylContact C-O 3.58Å; I81-I91 VanDerWaalsContact CA-O 3.28Å; I81-I91 WeakPolarHBondContact CA-O 3.42Å; V82-I91 PolarHBondContact N-O 3.08Å; V82-I91 PolarHBondContact O-N 2.9Å; T89-I91 HydrophobicContact CG2-CD1 4.16Å; I91-V99 HydrophobicContact CG2-CG1 3.57Å; I91-K100 WeakPolarHBondContact CA-O 3.33Å; I91-V101 HydrophobicContact CD1-CB 4.11Å; I91-V101 HydrophobicContact CD1-CG1 3.8Å; I91-V101 HydrophobicContact CD1-CG2 3.87Å; I91-L123 HydrophobicContact CB-CD1 4.35Å; I91-L123 HydrophobicContact CG2-CD1 4.06Å; I91-L123 HydrophobicContact CG2-CD2 4.32Å; I91-L123 WeakPolarHBondContact O-CD1 3.28Å; I91-V132 HydrophobicContact CG1-CG2 4.28Å; I91-V132 HydrophobicContact CG2-CG1 4.2Å; I91-L149 HydrophobicContact CD1-CD1 4.33Å
92	S	98.8	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.6	178.4	63.6	0	0	0	0	112.2	H74 D80 V99 K100 W102	H74-S92 PolarHBondContact NE2-OG 3.1Å; D80-S92 WeakPolarHBondContact O-CA 3.31Å; S92-V99 CarbonylContact O-C 3.49Å; S92-V99 WeakPolarHBondContact O-CA 3.38Å; S92-V99 WeakPolarHBondContact O-CG1 3.11Å; S92-K100 PolarHBondContact N-O 2.72Å; S92-K100 PolarHBondContact O-N 3.41Å; S92-W102 PolarHBondContact OG-NE1 3.37Å
93	A	98.8	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.4	175.7	0	0	0	0	0	109.9	V78 N79 D80 V120 L123	V78-A93 CarbonylContact C-O 3.59Å; N79-A93 PolarHBondContact N-O 2.76Å; D80-A93 HydrophobicContact CB-CB 4.39Å; D80-A93 PolarHBondContact N-O 2.88Å; D80-A93 PolarHBondContact O-N 3.02Å; A93-V120 HydrophobicContact CB-CB 3.85Å; A93-V120 HydrophobicContact CB-CG1 3.52Å; A93-L123 HydrophobicContact CB-CD1 4.03Å; A93-L123 HydrophobicContact CB-CD2 3.95Å; A93-L123 HydrophobicContact CB-CG 3.7Å
94	S	98.7	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.7	-173.3	175.6	0	0	0	0	114	H74 D76 W77 D96 T97 T98 V120	H74-S94 WeakPolarHBondContact CE1-CB 3.32Å; H74-S94 WeakPolarHBondContact ND1-CB 3.5Å; D76-S94 PolarHBondContact O-OG 3.37Å; W77-S94 CarbonylContact O-C 3.55Å; W77-S94 VanDerWaalsContact O-CA 3.24Å; W77-S94 WeakPolarHBondContact O-CA 3.46Å; W77-S94 PolarHBondContact O-OG 2.8Å; W77-S94 VanDerWaalsContact O-OG 3.12Å; S94-D96 VanDerWaalsContact CB-OD1 3.29Å; S94-D96 WeakPolarHBondContact CB-OD1 3.37Å; S94-D96 PolarHBondContact O-N 3.33Å; S94-D96 PolarHBondContact OG-N 2.8Å; S94-D96 VanDerWaalsContact OG-N 3.08Å; S94-D96 PolarHBondContact OG-OD1 3.28Å; S94-D96 PolarHBondContact OG-OD2 3.28Å; S94-T97 PolarHBondContact O-N 2.92Å; S94-T98 PolarHBondContact N-O 3.04Å; S94-V120 PolarHBondContact O-N 3.4Å
95	S	98.1	Very high	97	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.028	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.7	168.2	-62.6	0	0	0	0	112.6	W77 N79 T97 Y119	W77-S95 PolarHBondContact O-N 2.81Å; N79-S95 PolarHBondContact ND2-N 2.67Å; N79-S95 VanDerWaalsContact ND2-N 3.17Å; N79-S95 PolarHBondContact ND2-OG 3.08Å; S95-T97 PolarHBondContact O-N 3.27Å; S95-T97 VanDerWaalsContact O-N 3.13Å; S95-Y119 WeakPolarHBondContact O-CD1 3.45Å; S95-Y119 WeakPolarHBondContact O-CE1 3.48Å
96	D	96.5	Very high	97	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	9.6	169.6	69.6	16.9	0	0	0	113.7	H74 T75 D76 S94 T98	H74-D96 VanDerWaalsContact CA-OD2 3.26Å; H74-D96 WeakPolarHBondContact CA-OD2 3.46Å; H74-D96 WeakPolarHBondContact CB-OD2 3.37Å; H74-D96 IonicContact CE1-OD1 3.51Å; H74-D96 IonicContact CE1-OD2 3.16Å; H74-D96 IonicContact CG-OD2 3.33Å; H74-D96 IonicContact ND1-OD1 2.74Å; H74-D96 PolarHBondContact ND1-OD1 2.73Å; H74-D96 IonicContact ND1-OD2 3.5Å; H74-D96 PolarHBondContact ND1-OD2 2.81Å; T75-D96 PolarHBondContact N-OD2 3.41Å; T75-D96 WeakPolarHBondContact OG1-CB 3.36Å; D76-D96 HydrophobicContact CB-CB 4.04Å; S94-D96 VanDerWaalsContact CB-OD1 3.29Å; S94-D96 WeakPolarHBondContact CB-OD1 3.37Å; S94-D96 PolarHBondContact O-N 3.33Å; S94-D96 PolarHBondContact OG-N 2.8Å; S94-D96 VanDerWaalsContact OG-N 3.08Å; S94-D96 PolarHBondContact OG-OD1 3.28Å; S94-D96 PolarHBondContact OG-OD2 3.28Å; D96-T98 PolarHBondContact O-N 2.97Å; D96-T98 VanDerWaalsContact OD1-CB 3.32Å; D96-T98 WeakPolarHBondContact OD1-CB 3.44Å; D96-T98 PolarHBondContact OD1-N 3.46Å; D96-T98 PolarHBondContact OD1-OG1 3.07Å
97	T	96.6	Very high	97.1	Very high	8 Å²	8	23 Å²	23	5%	0.049	11%	0.111	C	C	.	.	S	Bend	trans	71.5	4.9	-179.1	75.9	0	0	0	0	115.2	S94 S95 Y119	S94-T97 PolarHBondContact O-N 2.92Å; S95-T97 PolarHBondContact O-N 3.27Å; S95-T97 VanDerWaalsContact O-N 3.13Å; T97-Y119 HydrophobicContact CG2-CD1 4.42Å
98	T	96.9	Very high	97.2	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.031	13%	0.129	C	C	.	.			trans	-104.9	153.8	-177.7	73.9	0	0	0	0	113.3	H74 S94 D96 T112 R114	H74-T98 PolarHBondContact CE1-OG1 3.39Å; H74-T98 PolarHBondContact ND1-OG1 2.87Å; S94-T98 PolarHBondContact N-O 3.04Å; D96-T98 PolarHBondContact O-N 2.97Å; D96-T98 VanDerWaalsContact OD1-CB 3.32Å; D96-T98 WeakPolarHBondContact OD1-CB 3.44Å; D96-T98 PolarHBondContact OD1-N 3.46Å; D96-T98 PolarHBondContact OD1-OG1 3.07Å; T98-T112 HydrophobicContact CG2-CG2 3.79Å; T98-R114 HydrophobicContact CG2-CG 4.42Å
99	V	97.8	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.2	161.2	176.8	0	0	0	0	107.6	I91 S92 L113 V120	I91-V99 HydrophobicContact CG2-CG1 3.57Å; S92-V99 CarbonylContact O-C 3.49Å; S92-V99 WeakPolarHBondContact O-CA 3.38Å; S92-V99 WeakPolarHBondContact O-CG1 3.11Å; V99-L113 HydrophobicContact CB-CB 4.18Å; V99-L113 HydrophobicContact CB-CD1 4.3Å; V99-L113 HydrophobicContact CG1-CD1 4.11Å; V99-L113 PolarHBondContact N-O 3.32Å; V99-L113 VanDerWaalsContact N-O 3.07Å; V99-L113 WeakPolarHBondContact O-CB 2.96Å; V99-L113 PolarHBondContact O-N 3.01Å; V99-V120 HydrophobicContact CG2-CB 4.48Å; V99-V120 HydrophobicContact CG2-CG1 3.9Å; V99-V120 HydrophobicContact CG2-CG2 4.2Å
100	K	97.3	Very high	97	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.022	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.8	-179.9	-70.4	179.3	-174.9	-72.3	0	111.3	H73 H74 I91 S92 W102 S111 T112	H73-K100 HydrophobicContact CB-CD 3.98Å; H73-K100 PolarHBondContact CE1-NZ 2.99Å; H73-K100 WeakPolarHBondContact ND1-CE 3.22Å; H73-K100 PolarHBondContact ND1-NZ 3.23Å; H74-K100 VanDerWaalsContact CE1-CD 3.44Å; H74-K100 WeakPolarHBondContact CE1-CD 3.49Å; H74-K100 WeakPolarHBondContact ND1-CE 3.44Å; I91-K100 WeakPolarHBondContact CA-O 3.33Å; S92-K100 PolarHBondContact N-O 2.72Å; S92-K100 PolarHBondContact O-N 3.41Å; K100-W102 HydrophobicContact CB-CZ2 3.88Å; K100-W102 VanDerWaalsContact CB-NE1 3.33Å; K100-W102 HydrophobicContact CD-CH2 4.26Å; K100-W102 HydrophobicContact CD-CZ2 3.67Å; K100-W102 HydrophobicContact CG-CZ2 4.43Å; K100-W102 PolarHBondContact O-NE1 3.31Å; K100-S111 WeakPolarHBondContact CA-O 3.45Å; K100-T112 HydrophobicContact CG-CG2 4.24Å; K100-T112 PolarHBondContact NZ-OG1 2.91Å
101	V	97.6	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.4	176.2	-173.7	0	0	0	0	107.7	T89 I91 M110 S111 L149	T89-V101 HydrophobicContact CG2-CG1 4.09Å; I91-V101 HydrophobicContact CD1-CB 4.11Å; I91-V101 HydrophobicContact CD1-CG1 3.8Å; I91-V101 HydrophobicContact CD1-CG2 3.87Å; V101-M110 PolarHBondContact O-N 3.01Å; V101-S111 WeakPolarHBondContact CB-OG 3.31Å; V101-S111 WeakPolarHBondContact CG2-OG 3.32Å; V101-S111 PolarHBondContact N-O 3.01Å; V101-S111 PolarHBondContact O-N 2.59Å; V101-L149 HydrophobicContact CG1-CB 4.5Å; V101-L149 HydrophobicContact CG2-CB 4.18Å; V101-L149 HydrophobicContact CG2-CD1 3.89Å; V101-L149 HydrophobicContact CG2-CG 4.45Å
102	W	98	Very high	96.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.9	-172.5	-50.3	77.9	0	0	0	111.4	I54 M71 H73 H74 T89 L90 S92 K100 A104 F108 C109	I54-W102 HydrophobicContact CD1-CZ2 4.08Å; M71-W102 HydrophobicContact CB-CE3 3.99Å; M71-W102 HydrophobicContact CB-CH2 4.37Å; M71-W102 HydrophobicContact CB-CZ3 3.75Å; M71-W102 HydrophobicContact CE-CB 3.39Å; M71-W102 HydrophobicContact CE-CD2 3.47Å; M71-W102 VanDerWaalsContact CE-CD2 3.47Å; M71-W102 HydrophobicContact CE-CE3 3.41Å; M71-W102 VanDerWaalsContact CE-CE3 3.41Å; M71-W102 HydrophobicContact CE-CG 3.48Å; M71-W102 VanDerWaalsContact CE-CG 3.48Å; M71-W102 HydrophobicContact CE-CZ3 4.28Å; H73-W102 HydrophobicContact CB-CH2 3.44Å; H73-W102 VanDerWaalsContact CB-CH2 3.44Å; H73-W102 HydrophobicContact CB-CZ2 4.26Å; H73-W102 HydrophobicContact CB-CZ3 4.02Å; H74-W102 AromaticContact CD2-CZ2 3.87Å; T89-W102 WeakPolarHBondContact CA-O 3.37Å; L90-W102 HydrophobicContact CB-CB 4.22Å; L90-W102 HydrophobicContact CD2-CG 4.22Å; L90-W102 PolarHBondContact N-O 3.13Å; L90-W102 VanDerWaalsContact O-CD1 3.26Å; L90-W102 PolarHBondContact O-N 3.45Å; S92-W102 PolarHBondContact OG-NE1 3.37Å; K100-W102 HydrophobicContact CB-CZ2 3.88Å; K100-W102 VanDerWaalsContact CB-NE1 3.33Å; K100-W102 HydrophobicContact CD-CH2 4.26Å; K100-W102 HydrophobicContact CD-CZ2 3.67Å; K100-W102 HydrophobicContact CG-CZ2 4.43Å; K100-W102 PolarHBondContact O-NE1 3.31Å; W102-A104 PolarHBondContact O-N 2.86Å; W102-F108 WeakPolarHBondContact CA-O 3.43Å; W102-C109 HydrophobicContact CD2-CB 4.14Å; W102-C109 HydrophobicContact CE3-CB 3.64Å; W102-C109 HydrophobicContact CH2-CB 4.19Å; W102-C109 HydrophobicContact CZ3-CB 3.67Å
103	N	97.4	Very high	96.2	Very high	39 Å²	39	29.1 Å²	29.1	21%	0.209	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	105.7	159.9	-171.9	-59.2	0	0	0	108.1	H105 K106 G107 F108 M110	N103-H105 VanDerWaalsContact C-N 3.33Å; N103-H105 PolarHBondContact O-N 3.49Å; N103-H105 PolarHBondContact OD1-N 3.06Å; N103-K106 HydrophobicContact CB-CB 4.45Å; N103-K106 WeakPolarHBondContact OD1-CB 3.47Å; N103-K106 PolarHBondContact OD1-N 3.19Å; N103-G107 WeakPolarHBondContact O-CA 3.46Å; N103-G107 PolarHBondContact O-N 3.04Å; N103-F108 HydrophobicContact CB-CD1 4.01Å; N103-F108 HydrophobicContact CB-CE1 3.58Å; N103-F108 HydrophobicContact CB-CE2 4.44Å; N103-F108 HydrophobicContact CB-CZ 3.82Å; N103-F108 PolarHBondContact N-O 3.41Å; N103-F108 PolarHBondContact O-N 3.3Å; N103-M110 HydrophobicContact CB-CG 4.31Å; N103-M110 HydrophobicContact CB-SD 4.01Å
104	A	97.4	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.6	-173.2	0	0	0	0	0	113.1	F46 L83 G87 K88 L90 W102	F46-A104 HydrophobicContact CE1-CB 4.18Å; F46-A104 HydrophobicContact CZ-CB 4.02Å; L83-A104 HydrophobicContact CD1-CB 3.9Å; G87-A104 WeakPolarHBondContact O-CB 2.83Å; K88-A104 PolarHBondContact O-N 2.87Å; L90-A104 HydrophobicContact CB-CB 3.92Å; W102-A104 PolarHBondContact O-N 2.86Å
105	H	94.7	Very high	95.7	Very high	88 Å²	88	36.2 Å²	36.2	41%	0.407	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-42.8	177.3	-72.8	-174.8	0	0	0	112.4	G87 N103	G87-H105 PolarHBondContact O-CD2 3.03Å; G87-H105 VanDerWaalsContact O-CD2 3.24Å; G87-H105 PolarHBondContact O-NE2 3.03Å; N103-H105 VanDerWaalsContact C-N 3.33Å; N103-H105 PolarHBondContact O-N 3.49Å; N103-H105 PolarHBondContact OD1-N 3.06Å
106	K	94.9	Very high	95.5	Very high	166 Å²	166	36 Å²	36	72%	0.722	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-17.7	-177.7	-67.7	179.4	170.9	-174.4	0	113.4	N103 F108	N103-K106 HydrophobicContact CB-CB 4.45Å; N103-K106 WeakPolarHBondContact OD1-CB 3.47Å; N103-K106 PolarHBondContact OD1-N 3.19Å; K106-F108 HydrophobicContact CB-CD1 3.61Å; K106-F108 HydrophobicContact CB-CE1 3.66Å; K106-F108 HydrophobicContact CD-CD1 4.43Å; K106-F108 HydrophobicContact CD-CE1 3.72Å; K106-F108 HydrophobicContact CG-CE1 4.33Å
107	G	95	Very high	95.4	Very high	15 Å²	15	42.8 Å²	42.8	16%	0.155	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	28.6	173.3	0	0	0	0	0	115.7	N103	N103-G107 WeakPolarHBondContact O-CA 3.46Å; N103-G107 PolarHBondContact O-N 3.04Å
108	F	94.9	Very high	95.4	Very high	97 Å²	97	45.5 Å²	45.5	43%	0.425	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.6	178.8	74	-89.7	0	0	0	112.9	W102 N103 K106 M110	W102-F108 WeakPolarHBondContact CA-O 3.43Å; N103-F108 HydrophobicContact CB-CD1 4.01Å; N103-F108 HydrophobicContact CB-CE1 3.58Å; N103-F108 HydrophobicContact CB-CE2 4.44Å; N103-F108 HydrophobicContact CB-CZ 3.82Å; N103-F108 PolarHBondContact N-O 3.41Å; N103-F108 PolarHBondContact O-N 3.3Å; K106-F108 HydrophobicContact CB-CD1 3.61Å; K106-F108 HydrophobicContact CB-CE1 3.66Å; K106-F108 HydrophobicContact CD-CD1 4.43Å; K106-F108 HydrophobicContact CD-CE1 3.72Å; K106-F108 HydrophobicContact CG-CE1 4.33Å; F108-M110 HydrophobicContact CD2-CG 4.37Å; F108-M110 HydrophobicContact CE2-CG 3.75Å; F108-M110 HydrophobicContact CZ-CG 4.28Å
109	C	95.6	Very high	95.4	Very high	29 Å²	29	49.9 Å²	49.9	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.5	177.6	-177.9	0	0	0	0	110.2	H73 W102	H73-C109 HydrophobicContact CB-CB 4.29Å; W102-C109 HydrophobicContact CD2-CB 4.14Å; W102-C109 HydrophobicContact CE3-CB 3.64Å; W102-C109 HydrophobicContact CH2-CB 4.19Å; W102-C109 HydrophobicContact CZ3-CB 3.67Å
110	M	94.1	Very high	95.5	Very high	76 Å²	76	49.9 Å²	49.9	37%	0.374	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-42.3	178.6	-63.9	171.9	60.7	0	0	112.1	V101 N103 F108	V101-M110 PolarHBondContact O-N 3.01Å; N103-M110 HydrophobicContact CB-CG 4.31Å; N103-M110 HydrophobicContact CB-SD 4.01Å; F108-M110 HydrophobicContact CD2-CG 4.37Å; F108-M110 HydrophobicContact CE2-CG 3.75Å; F108-M110 HydrophobicContact CZ-CG 4.28Å
111	S	92.4	Very high	95.5	Very high	21 Å²	21	51.6 Å²	51.6	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.5	-177.7	66.7	0	0	0	0	112.3	K100 V101	K100-S111 WeakPolarHBondContact CA-O 3.45Å; V101-S111 WeakPolarHBondContact CB-OG 3.31Å; V101-S111 WeakPolarHBondContact CG2-OG 3.32Å; V101-S111 PolarHBondContact N-O 3.01Å; V101-S111 PolarHBondContact O-N 2.59Å
112	T	93.2	Very high	95.6	Very high	40 Å²	40	51.8 Å²	51.8	25%	0.245	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114	178.5	-60.3	0	0	0	0	109.8	T98 K100 R114	T98-T112 HydrophobicContact CG2-CG2 3.79Å; K100-T112 HydrophobicContact CG-CG2 4.24Å; K100-T112 PolarHBondContact NZ-OG1 2.91Å; T112-R114 HydrophobicContact CG2-CG 4.02Å
113	L	94.2	Very high	95.6	Very high	10 Å²	10	52 Å²	52	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.8	176.8	-47.1	177	0	0	0	109	V99 W144 L149 V159	V99-L113 HydrophobicContact CB-CB 4.18Å; V99-L113 HydrophobicContact CB-CD1 4.3Å; V99-L113 HydrophobicContact CG1-CD1 4.11Å; V99-L113 PolarHBondContact N-O 3.32Å; V99-L113 VanDerWaalsContact N-O 3.07Å; V99-L113 WeakPolarHBondContact O-CB 2.96Å; V99-L113 PolarHBondContact O-N 3.01Å; L113-W144 HydrophobicContact CB-CH2 4.4Å; L113-W144 HydrophobicContact CD1-CD2 3.89Å; L113-W144 HydrophobicContact CD1-CE3 3.87Å; L113-W144 HydrophobicContact CD1-CH2 4.09Å; L113-W144 HydrophobicContact CD1-CZ2 4.12Å; L113-W144 HydrophobicContact CD1-CZ3 3.98Å; L113-L149 HydrophobicContact CD1-CD1 4.07Å; L113-L149 HydrophobicContact CD1-CD2 3.86Å; L113-L149 HydrophobicContact CD2-CD2 3.85Å; L113-L149 HydrophobicContact CG-CD2 4.45Å; L113-V159 HydrophobicContact CD2-CG1 4.37Å
114	R	93.1	Very high	95.7	Very high	110 Å²	110	50.4 Å²	50.4	42%	0.415	24%	0.24	S	C	.	.			trans	-110	30.4	-173.2	-57.9	-178.5	-179.3	-127.2	2.3	113.1	T98 T112 T524 L525	T98-R114 HydrophobicContact CG2-CG 4.42Å; T112-R114 HydrophobicContact CG2-CG 4.02Å; R114-T524 PolarHBondContact NH1-O 2.82Å; R114-L525 PolarHBondContact NH1-O 2.91Å; R114-L525 PolarHBondContact NH2-O 2.9Å
115	T	93.6	Very high	95.7	Very high	38 Å²	38	52.7 Å²	52.7	23%	0.233	25%	0.249	C	C	.	.			trans	-81.2	-31.6	-172.4	56.3	0	0	0	0	113.4	W144 T161	T115-W144 HydrophobicContact CG2-CH2 3.71Å; T115-W144 WeakPolarHBondContact OG1-CH2 3.37Å; T115-W144 WeakPolarHBondContact OG1-CZ2 3.29Å; T115-T161 HydrophobicContact CG2-CG2 3.83Å
116	H	95	Very high	95.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.23	C	C	.	.			trans	-68.2	151.1	175.4	-76.8	-78.3	0	0	0	111.6	V120 S134 D138 F142 R523	H116-V120 HydrophobicContact CB-CG2 3.69Å; H116-S134 WeakPolarHBondContact NE2-CB 3.21Å; H116-S134 PolarHBondContact NE2-OG 3.46Å; H116-D138 VanDerWaalsContact CA-OD2 3.27Å; H116-D138 WeakPolarHBondContact CA-OD2 3.01Å; H116-D138 IonicContact CE1-OD1 2.98Å; H116-D138 IonicContact CG-OD2 2.61Å; H116-D138 IonicContact ND1-OD1 3.17Å; H116-D138 PolarHBondContact ND1-OD1 3.16Å; H116-D138 VanDerWaalsContact ND1-OD1 3.14Å; H116-D138 IonicContact ND1-OD2 3.42Å; H116-D138 PolarHBondContact ND1-OD2 3.09Å; H116-F142 AromaticContact CD2-CD2 3.95Å; H116-F142 AromaticContact CE1-CD2 3.53Å; H116-F142 AromaticContact CE1-CE2 3.89Å; H116-F142 AromaticContact ND1-CD2 3.94Å; H116-F142 AromaticContact ND1-CE2 3.85Å; H116-F142 AromaticContact NE2-CD2 3.52Å; H116-R523 PolarHBondContact O-NH2 3.36Å
117	K	94	Very high	96	Very high	149 Å²	149	46 Å²	46	65%	0.648	22%	0.218	S	C	*	.	S	Bend	trans	-109.3	-3.6	-177.2	-60.4	-177.7	178.9	175.9	0	113.7	D138	K117-D138 HydrophobicContact CB-CB 4.11Å; K117-D138 PolarHBondContact N-OD2 2.86Å
118	D	96.1	Very high	96	Very high	64 Å²	64	49.2 Å²	49.2	34%	0.342	23%	0.232	S	C	.	.	S	Bend	trans	-154.8	-176.7	-177.2	-152.5	-32.1	0	0	0	108.4	V120 L137 D138	D118-V120 PolarHBondContact O-N 3.41Å; D118-L137 HydrophobicContact CB-CB 3.96Å; D118-D138 HydrophobicContact CB-CB 3.86Å
119	Y	97.8	Very high	96	Very high	98 Å²	98	48.8 Å²	48.8	38%	0.384	23%	0.23	S	C	.	.			trans	-58.4	127.2	-173.1	-62.6	-1.4	0	0	0	111.5	S95 T97 K121 G136 L137	S95-Y119 WeakPolarHBondContact O-CD1 3.45Å; S95-Y119 WeakPolarHBondContact O-CE1 3.48Å; T97-Y119 HydrophobicContact CG2-CD1 4.42Å; Y119-K121 PolarHBondContact O-N 3.23Å; Y119-G136 CarbonylContact O-C 3.54Å; Y119-G136 WeakPolarHBondContact O-CA 3.33Å; Y119-L137 HydrophobicContact CD2-CD1 3.93Å; Y119-L137 HydrophobicContact CG-CD1 4.04Å; Y119-L137 PolarHBondContact O-N 3.23Å
120	V	98.6	Very high	96.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.4	175.4	-163.5	0	0	0	0	107.8	N79 A93 S94 V99 H116 D118 A135	N79-V120 WeakPolarHBondContact CB-O 3.49Å; N79-V120 PolarHBondContact ND2-O 3.22Å; A93-V120 HydrophobicContact CB-CB 3.85Å; A93-V120 HydrophobicContact CB-CG1 3.52Å; S94-V120 PolarHBondContact O-N 3.4Å; V99-V120 HydrophobicContact CG2-CB 4.48Å; V99-V120 HydrophobicContact CG2-CG1 3.9Å; V99-V120 HydrophobicContact CG2-CG2 4.2Å; H116-V120 HydrophobicContact CB-CG2 3.69Å; D118-V120 PolarHBondContact O-N 3.41Å; V120-A135 WeakPolarHBondContact CG1-O 3.38Å
121	K	98.7	Very high	96.2	Very high	41 Å²	41	46.6 Å²	46.6	18%	0.178	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-29.9	-166.4	-66.1	-53.4	-55.9	174.1	0	114.2	N79 Y119 A135 L137 I171	N79-K121 VanDerWaalsContact CG-NZ 3.34Å; N79-K121 PolarHBondContact OD1-NZ 3.1Å; Y119-K121 PolarHBondContact O-N 3.23Å; K121-A135 PolarHBondContact N-O 3.01Å; K121-L137 HydrophobicContact CD-CD2 4.2Å; K121-L137 HydrophobicContact CD-CG 4.25Å; K121-L137 HydrophobicContact CG-CD2 3.73Å; K121-L137 HydrophobicContact CG-CG 3.97Å; K121-I171 WeakPolarHBondContact CB-O 3.32Å
122	A	98.6	Very high	96.5	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.3	-174	0	0	0	0	0	111.7	A135 L174	A122-A135 PolarHBondContact N-O 3.21Å; A122-A135 VanDerWaalsContact N-O 3.14Å; A122-A135 PolarHBondContact O-N 3.45Å; A122-L174 HydrophobicContact CB-CB 3.88Å
123	L	98.8	Very high	96.7	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	156.7	168.9	-66.6	173.2	0	0	0	109.8	D80 V82 I91 A93 V132 A133	D80-L123 HydrophobicContact CB-CB 4.35Å; D80-L123 HydrophobicContact CB-CD1 4.45Å; D80-L123 HydrophobicContact CB-CG 4.23Å; D80-L123 PolarHBondContact OD2-N 2.83Å; V82-L123 HydrophobicContact CB-CD1 4.37Å; V82-L123 HydrophobicContact CG2-CB 3.58Å; V82-L123 HydrophobicContact CG2-CD1 4.07Å; V82-L123 HydrophobicContact CG2-CG 4.47Å; I91-L123 HydrophobicContact CB-CD1 4.35Å; I91-L123 HydrophobicContact CG2-CD1 4.06Å; I91-L123 HydrophobicContact CG2-CD2 4.32Å; I91-L123 WeakPolarHBondContact O-CD1 3.28Å; A93-L123 HydrophobicContact CB-CD1 4.03Å; A93-L123 HydrophobicContact CB-CD2 3.95Å; A93-L123 HydrophobicContact CB-CG 3.7Å; L123-V132 HydrophobicContact CD2-CG1 4.24Å; L123-A133 CarbonylContact C-O 3.47Å; L123-A133 VanDerWaalsContact CA-O 3.24Å; L123-A133 WeakPolarHBondContact CA-O 3.47Å; L123-A133 WeakPolarHBondContact CD2-O 3.37Å
124	A	98.6	Very high	96.9	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.4	168.7	0	0	0	0	0	110.1	V132 A133 L174 M176	A124-V132 CarbonylContact O-C 3.53Å; A124-V132 VanDerWaalsContact O-CA 3.27Å; A124-V132 WeakPolarHBondContact O-CA 3.42Å; A124-A133 HydrophobicContact CB-CB 4.39Å; A124-A133 PolarHBondContact N-O 3.18Å; A124-A133 PolarHBondContact O-N 3.32Å; A124-L174 HydrophobicContact CB-CB 4.07Å; A124-L174 HydrophobicContact CB-CD2 3.81Å; A124-L174 HydrophobicContact CB-CG 3.7Å; A124-M176 HydrophobicContact CB-CB 3.99Å; A124-M176 HydrophobicContact CB-CE 4.39Å
125	Y	98.5	Very high	97.2	Very high	48 Å²	48	38 Å²	38	19%	0.188	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.8	-172.4	177.9	-131.7	0	0	0	111.9	V82 C84 K127 E130 L131 V132	V82-Y125 HydrophobicContact CG1-CD1 4.03Å; V82-Y125 HydrophobicContact CG1-CD2 4.06Å; V82-Y125 HydrophobicContact CG1-CG 3.64Å; C84-Y125 HydrophobicContact CB-CD2 4.23Å; C84-Y125 HydrophobicContact CB-CE1 4.15Å; C84-Y125 HydrophobicContact CB-CE2 3.49Å; C84-Y125 VanDerWaalsContact CB-CE2 3.49Å; C84-Y125 VanDerWaalsContact CB-CZ 3.44Å; C84-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y125-K127 HydrophobicContact CD1-CB 4.46Å; Y125-K127 HydrophobicContact CE1-CB 3.79Å; Y125-K127 HydrophobicContact CE1-CG 4.03Å; Y125-K127 VanDerWaalsContact CZ-CA 3.5Å; Y125-E130 WeakPolarHBondContact CE2-OE2 3.25Å; Y125-E130 PolarHBondContact OH-OE1 2.87Å; Y125-E130 VanDerWaalsContact OH-OE1 3.11Å; Y125-E130 PolarHBondContact OH-OE2 2.9Å; Y125-L131 WeakPolarHBondContact CA-O 3.13Å; Y125-V132 HydrophobicContact CD2-CG2 3.66Å; Y125-V132 HydrophobicContact CE2-CG2 4.35Å; Y125-V132 HydrophobicContact CG-CG2 4.47Å
126	A	98	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.1	167.5	0	0	0	0	0	109.7	D128 K129 E130 L131 M176 N177	A126-D128 PolarHBondContact O-N 3.29Å; A126-K129 PolarHBondContact O-N 2.7Å; A126-E130 PolarHBondContact O-N 3.17Å; A126-E130 VanDerWaalsContact O-N 3.08Å; A126-L131 HydrophobicContact CB-CB 4.4Å; A126-L131 PolarHBondContact N-O 3.03Å; A126-L131 PolarHBondContact O-N 2.84Å; A126-M176 HydrophobicContact CB-CG 4.04Å; A126-M176 HydrophobicContact CB-SD 3.48Å; A126-M176 WeakPolarHBondContact CB-SD 3.13Å; A126-N177 WeakPolarHBondContact CB-O 3.47Å
127	K	96.2	Very high	97.5	Very high	112 Å²	112	37.6 Å²	37.6	49%	0.487	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-57.4	-45.1	-174.7	-169.7	176.2	-177.7	177	0	113.4	Y125 K129 E130 Q178	Y125-K127 HydrophobicContact CD1-CB 4.46Å; Y125-K127 HydrophobicContact CE1-CB 3.79Å; Y125-K127 HydrophobicContact CE1-CG 4.03Å; Y125-K127 VanDerWaalsContact CZ-CA 3.5Å; K127-K129 PolarHBondContact O-N 2.75Å; K127-K129 VanDerWaalsContact O-N 3.16Å; K127-E130 PolarHBondContact O-N 2.74Å; K127-Q178 HydrophobicContact CB-CG 4.05Å; K127-Q178 PolarHBondContact N-O 3.01Å
128	D	95.8	Very high	97.6	Very high	83 Å²	83	31.7 Å²	31.7	44%	0.444	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-71.9	-15.1	-171	-62.8	1.5	0	0	0	112.7	A126 Q178 L179	A126-D128 PolarHBondContact O-N 3.29Å; D128-Q178 WeakPolarHBondContact CB-O 3.33Å; D128-Q178 PolarHBondContact N-O 3.09Å; D128-Q178 VanDerWaalsContact N-O 3.13Å; D128-Q178 WeakPolarHBondContact OD1-CG 3.31Å; D128-Q178 PolarHBondContact OD1-NE2 2.61Å; D128-L179 WeakPolarHBondContact OD2-CD2 3.41Å
129	K	95.1	Very high	97.7	Very high	89 Å²	89	34.9 Å²	34.9	39%	0.387	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-114.1	-1.5	177.2	-68.5	-174.5	178.7	168.7	0	113.7	A126 K127 L131 L179 G180	A126-K129 PolarHBondContact O-N 2.7Å; K127-K129 PolarHBondContact O-N 2.75Å; K127-K129 VanDerWaalsContact O-N 3.16Å; K129-L131 HydrophobicContact CB-CB 4.17Å; K129-L131 PolarHBondContact O-N 2.89Å; K129-L179 WeakPolarHBondContact CD-O 3.31Å; K129-L179 WeakPolarHBondContact CE-O 3.26Å; K129-L179 PolarHBondContact NZ-O 3.01Å; K129-G180 PolarHBondContact NZ-O 2.99Å
130	E	96.8	Very high	97.7	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.14	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	42.6	-170	-63.8	-65.4	168.7	0	0	112.6	C85 Y125 A126 K127 V146	C85-E130 PolarHBondContact N-OE2 3.2Å; C85-E130 VanDerWaalsContact N-OE2 3.16Å; C85-E130 PolarHBondContact SG-OE2 2.94Å; Y125-E130 WeakPolarHBondContact CE2-OE2 3.25Å; Y125-E130 PolarHBondContact OH-OE1 2.87Å; Y125-E130 VanDerWaalsContact OH-OE1 3.11Å; Y125-E130 PolarHBondContact OH-OE2 2.9Å; A126-E130 PolarHBondContact O-N 3.17Å; A126-E130 VanDerWaalsContact O-N 3.08Å; K127-E130 PolarHBondContact O-N 2.74Å; E130-V146 HydrophobicContact CB-CB 4.42Å; E130-V146 WeakPolarHBondContact O-CB 3.4Å; E130-V146 VanDerWaalsContact O-CG2 3.26Å; E130-V146 WeakPolarHBondContact O-CG2 3.25Å; E130-V146 PolarHBondContact O-N 2.95Å
131	L	97	Very high	97.7	Very high	29 Å²	29	33.1 Å²	33.1	15%	0.152	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.1	-177.8	-173.5	74.6	0	0	0	110.1	Y125 A126 K129 W144 M176 P197	Y125-L131 WeakPolarHBondContact CA-O 3.13Å; A126-L131 HydrophobicContact CB-CB 4.4Å; A126-L131 PolarHBondContact N-O 3.03Å; A126-L131 PolarHBondContact O-N 2.84Å; K129-L131 HydrophobicContact CB-CB 4.17Å; K129-L131 PolarHBondContact O-N 2.89Å; L131-W144 WeakPolarHBondContact CD1-O 3.15Å; L131-M176 HydrophobicContact CD2-CE 4.4Å; L131-M176 HydrophobicContact CD2-SD 3.93Å; L131-M176 HydrophobicContact CG-SD 4.44Å; L131-P197 HydrophobicContact CD2-CB 4.05Å
132	V	97.9	Very high	97.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.3	176.3	173	0	0	0	0	109.9	V82 I91 L123 A124 Y125 W144 V146	V82-V132 HydrophobicContact CG1-CG2 4.13Å; I91-V132 HydrophobicContact CG1-CG2 4.28Å; I91-V132 HydrophobicContact CG2-CG1 4.2Å; L123-V132 HydrophobicContact CD2-CG1 4.24Å; A124-V132 CarbonylContact O-C 3.53Å; A124-V132 VanDerWaalsContact O-CA 3.27Å; A124-V132 WeakPolarHBondContact O-CA 3.42Å; Y125-V132 HydrophobicContact CD2-CG2 3.66Å; Y125-V132 HydrophobicContact CE2-CG2 4.35Å; Y125-V132 HydrophobicContact CG-CG2 4.47Å; V132-W144 PolarHBondContact N-O 3.17Å; V132-W144 PolarHBondContact O-N 3.41Å; V132-V146 HydrophobicContact CB-CG2 4.17Å; V132-V146 HydrophobicContact CG2-CG2 3.48Å; V132-V146 VanDerWaalsContact CG2-CG2 3.48Å
133	A	98.4	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.4	170.9	0	0	0	0	0	110.8	L123 A124 I141 F142 L143 L174 M176 I183	L123-A133 CarbonylContact C-O 3.47Å; L123-A133 VanDerWaalsContact CA-O 3.24Å; L123-A133 WeakPolarHBondContact CA-O 3.47Å; L123-A133 WeakPolarHBondContact CD2-O 3.37Å; A124-A133 HydrophobicContact CB-CB 4.39Å; A124-A133 PolarHBondContact N-O 3.18Å; A124-A133 PolarHBondContact O-N 3.32Å; A133-I141 HydrophobicContact CB-CG2 4.24Å; A133-F142 CarbonylContact C-O 3.57Å; A133-F142 WeakPolarHBondContact CA-O 3.33Å; A133-L143 HydrophobicContact CB-CD2 3.61Å; A133-L174 HydrophobicContact CB-CD2 3.6Å; A133-M176 HydrophobicContact CB-CE 3.62Å; A133-I183 HydrophobicContact CB-CD1 3.5Å; A133-I183 VanDerWaalsContact CB-CD1 3.5Å
134	S	98.5	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.6	175.2	65.1	0	0	0	0	111.3	H116 I141 F142 W144	H116-S134 WeakPolarHBondContact NE2-CB 3.21Å; H116-S134 PolarHBondContact NE2-OG 3.46Å; S134-I141 CarbonylContact O-C 3.54Å; S134-I141 VanDerWaalsContact O-CA 3.26Å; S134-I141 WeakPolarHBondContact O-CA 3.26Å; S134-F142 PolarHBondContact N-O 3.44Å; S134-F142 PolarHBondContact O-N 3.42Å; S134-W144 PolarHBondContact OG-NE1 3.46Å
135	A	98.6	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153	-178.3	0	0	0	0	0	112.1	V120 K121 A122 Q140 I141 I171 L174	V120-A135 WeakPolarHBondContact CG1-O 3.38Å; K121-A135 PolarHBondContact N-O 3.01Å; A122-A135 PolarHBondContact N-O 3.21Å; A122-A135 VanDerWaalsContact N-O 3.14Å; A122-A135 PolarHBondContact O-N 3.45Å; A135-Q140 WeakPolarHBondContact CA-O 3.4Å; A135-I141 HydrophobicContact CB-CG1 3.93Å; A135-I171 HydrophobicContact CB-CB 4.1Å; A135-I171 HydrophobicContact CB-CD1 3.96Å; A135-I171 HydrophobicContact CB-CG2 3.68Å; A135-L174 HydrophobicContact CB-CD1 4.1Å; A135-L174 HydrophobicContact CB-CD2 3.88Å; A135-L174 HydrophobicContact CB-CG 4.43Å
136	G	98.1	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-163.5	-175.1	0	0	0	0	0	115.8	Y119 D138 R139 I171	Y119-G136 CarbonylContact O-C 3.54Å; Y119-G136 WeakPolarHBondContact O-CA 3.33Å; G136-D138 PolarHBondContact O-N 2.9Å; G136-R139 PolarHBondContact O-N 3.29Å; G136-I171 PolarHBondContact O-N 2.75Å
137	L	98	Very high	96.9	Very high	29 Å²	29	36.3 Å²	36.3	15%	0.152	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.5	-179.2	-56	-174.3	0	0	0	112.8	D118 Y119 K121 R139 S170 Y172	D118-L137 HydrophobicContact CB-CB 3.96Å; Y119-L137 HydrophobicContact CD2-CD1 3.93Å; Y119-L137 HydrophobicContact CG-CD1 4.04Å; Y119-L137 PolarHBondContact O-N 3.23Å; K121-L137 HydrophobicContact CD-CD2 4.2Å; K121-L137 HydrophobicContact CD-CG 4.25Å; K121-L137 HydrophobicContact CG-CD2 3.73Å; K121-L137 HydrophobicContact CG-CG 3.97Å; L137-R139 PolarHBondContact O-N 3.27Å; L137-S170 PolarHBondContact O-OG 3.13Å; L137-S170 VanDerWaalsContact O-OG 3.12Å; L137-Y172 HydrophobicContact CD2-CE1 4.46Å; L137-Y172 HydrophobicContact CD2-CE2 3.95Å
138	D	96.4	Very high	96.7	Very high	25 Å²	25	33.8 Å²	33.8	13%	0.134	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1.5	174.6	72.8	-11	0	0	0	113.9	H116 K117 D118 G136 Q140	H116-D138 VanDerWaalsContact CA-OD2 3.27Å; H116-D138 WeakPolarHBondContact CA-OD2 3.01Å; H116-D138 IonicContact CE1-OD1 2.98Å; H116-D138 IonicContact CG-OD2 2.61Å; H116-D138 IonicContact ND1-OD1 3.17Å; H116-D138 PolarHBondContact ND1-OD1 3.16Å; H116-D138 VanDerWaalsContact ND1-OD1 3.14Å; H116-D138 IonicContact ND1-OD2 3.42Å; H116-D138 PolarHBondContact ND1-OD2 3.09Å; K117-D138 HydrophobicContact CB-CB 4.11Å; K117-D138 PolarHBondContact N-OD2 2.86Å; D118-D138 HydrophobicContact CB-CB 3.86Å; G136-D138 PolarHBondContact O-N 2.9Å; D138-Q140 PolarHBondContact O-N 2.97Å; D138-Q140 VanDerWaalsContact O-N 3.11Å; D138-Q140 PolarHBondContact OD1-N 3.41Å; D138-Q140 PolarHBondContact OD2-NE2 3.4Å
139	R	97.8	Very high	96.5	Very high	132 Å²	132	30 Å²	30	50%	0.498	14%	0.144	S	C	.	.	S	Bend	trans	66.9	7.4	174.5	-40.9	176.8	-175.6	172.7	3.3	113.8	G136 L137 K168	G136-R139 PolarHBondContact O-N 3.29Å; L137-R139 PolarHBondContact O-N 3.27Å; R139-K168 PolarHBondContact NH1-O 3.3Å
140	Q	97.3	Very high	96.3	Very high	60 Å²	60	28 Å²	28	28%	0.28	14%	0.139	S	C	.	.			trans	-98.3	149.6	178.7	-64.8	-176.3	100.5	0	0	110.3	A135 D138 F142	A135-Q140 WeakPolarHBondContact CA-O 3.4Å; D138-Q140 PolarHBondContact O-N 2.97Å; D138-Q140 VanDerWaalsContact O-N 3.11Å; D138-Q140 PolarHBondContact OD1-N 3.41Å; D138-Q140 PolarHBondContact OD2-NE2 3.4Å; Q140-F142 HydrophobicContact CB-CE2 3.91Å; Q140-F142 HydrophobicContact CB-CZ 4.19Å
141	I	98.4	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.1	168.6	-54	169.9	0	0	0	106.4	A133 S134 A135 S163 L164 N167 I171 L174 I183 W195	A133-I141 HydrophobicContact CB-CG2 4.24Å; S134-I141 CarbonylContact O-C 3.54Å; S134-I141 VanDerWaalsContact O-CA 3.26Å; S134-I141 WeakPolarHBondContact O-CA 3.26Å; A135-I141 HydrophobicContact CB-CG1 3.93Å; I141-S163 CarbonylContact O-C 3.48Å; I141-S163 WeakPolarHBondContact O-CA 3.47Å; I141-L164 HydrophobicContact CB-CB 4.11Å; I141-L164 HydrophobicContact CB-CD1 4.44Å; I141-L164 HydrophobicContact CD1-CB 4.45Å; I141-L164 HydrophobicContact CG2-CD1 4.08Å; I141-L164 HydrophobicContact CG2-CG 4.5Å; I141-L164 PolarHBondContact O-N 2.92Å; I141-N167 WeakPolarHBondContact CD1-ND2 3.35Å; I141-I171 HydrophobicContact CD1-CD1 4.11Å; I141-I171 HydrophobicContact CG1-CD1 3.55Å; I141-L174 HydrophobicContact CD1-CD1 3.93Å; I141-L174 HydrophobicContact CG1-CD1 4.34Å; I141-L174 HydrophobicContact CG2-CD1 4.28Å; I141-L174 HydrophobicContact CG2-CD2 4.23Å; I141-I183 HydrophobicContact CG2-CD1 4.08Å; I141-W195 HydrophobicContact CD1-CE3 4.45Å; I141-W195 HydrophobicContact CD1-CH2 3.9Å; I141-W195 HydrophobicContact CD1-CZ3 3.82Å
142	F	97.9	Very high	95.5	Very high	12 Å²	12	29.7 Å²	29.7	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.1	172.7	-64.5	-78	0	0	0	110.5	H116 A133 S134 Q140 W144 S162	H116-F142 AromaticContact CD2-CD2 3.95Å; H116-F142 AromaticContact CE1-CD2 3.53Å; H116-F142 AromaticContact CE1-CE2 3.89Å; H116-F142 AromaticContact ND1-CD2 3.94Å; H116-F142 AromaticContact ND1-CE2 3.85Å; H116-F142 AromaticContact NE2-CD2 3.52Å; A133-F142 CarbonylContact C-O 3.57Å; A133-F142 WeakPolarHBondContact CA-O 3.33Å; S134-F142 PolarHBondContact N-O 3.44Å; S134-F142 PolarHBondContact O-N 3.42Å; Q140-F142 HydrophobicContact CB-CE2 3.91Å; Q140-F142 HydrophobicContact CB-CZ 4.19Å; F142-W144 HydrophobicContact CB-CD2 4.48Å; F142-W144 HydrophobicContact CB-CH2 4.16Å; F142-W144 HydrophobicContact CB-CZ2 3.33Å; F142-W144 HydrophobicContact CD2-CZ2 4.32Å; F142-W144 HydrophobicContact CG-CH2 4.43Å; F142-W144 AromaticContact CG-CZ2 3.86Å; F142-W144 HydrophobicContact CG-CZ2 3.86Å; F142-S162 CarbonylContact C-O 3.51Å; F142-S162 VanDerWaalsContact CA-O 3.32Å; F142-S162 WeakPolarHBondContact CA-O 3.41Å
143	L	97.7	Very high	94.7	Very high	12 Å²	12	33 Å²	33	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.6	175.2	-58.6	179.1	0	0	0	109.9	A133 S162 L164 I183 P197	A133-L143 HydrophobicContact CB-CD2 3.61Å; L143-S162 PolarHBondContact N-O 3.25Å; L143-L164 HydrophobicContact CD1-CD1 4.45Å; L143-L164 HydrophobicContact CD1-CD2 4.11Å; L143-L164 HydrophobicContact CD1-CG 4.31Å; L143-L164 HydrophobicContact CD2-CD1 4.21Å; L143-L164 HydrophobicContact CG-CD1 4.46Å; L143-L164 HydrophobicContact CG-CG 4.38Å; L143-I183 HydrophobicContact CD2-CD1 4.06Å; L143-P197 HydrophobicContact CD1-CB 3.9Å; L143-P197 VanDerWaalsContact CD1-O 3.22Å; L143-P197 WeakPolarHBondContact CD1-O 3.46Å; L143-P197 HydrophobicContact CD2-CB 4.38Å
144	W	95.9	Very high	93.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.5	-172.1	-47.5	103.2	0	0	0	110.4	L113 T115 L131 V132 S134 F142 V146 L149 V159 T161	L113-W144 HydrophobicContact CB-CH2 4.4Å; L113-W144 HydrophobicContact CD1-CD2 3.89Å; L113-W144 HydrophobicContact CD1-CE3 3.87Å; L113-W144 HydrophobicContact CD1-CH2 4.09Å; L113-W144 HydrophobicContact CD1-CZ2 4.12Å; L113-W144 HydrophobicContact CD1-CZ3 3.98Å; T115-W144 HydrophobicContact CG2-CH2 3.71Å; T115-W144 WeakPolarHBondContact OG1-CH2 3.37Å; T115-W144 WeakPolarHBondContact OG1-CZ2 3.29Å; L131-W144 WeakPolarHBondContact CD1-O 3.15Å; V132-W144 PolarHBondContact N-O 3.17Å; V132-W144 PolarHBondContact O-N 3.41Å; S134-W144 PolarHBondContact OG-NE1 3.46Å; F142-W144 HydrophobicContact CB-CD2 4.48Å; F142-W144 HydrophobicContact CB-CH2 4.16Å; F142-W144 HydrophobicContact CB-CZ2 3.33Å; F142-W144 HydrophobicContact CD2-CZ2 4.32Å; F142-W144 HydrophobicContact CG-CH2 4.43Å; F142-W144 AromaticContact CG-CZ2 3.86Å; F142-W144 HydrophobicContact CG-CZ2 3.86Å; W144-V146 PolarHBondContact O-N 3.28Å; W144-L149 HydrophobicContact CB-CD1 3.77Å; W144-L149 HydrophobicContact CB-CG 4.44Å; W144-L149 HydrophobicContact CE3-CD2 4.42Å; W144-L149 HydrophobicContact CG-CD1 4.39Å; W144-V159 HydrophobicContact CE3-CG2 4.25Å; W144-V159 HydrophobicContact CZ3-CG1 4.09Å; W144-V159 HydrophobicContact CZ3-CG2 4.24Å; W144-T161 HydrophobicContact CH2-CG2 4.06Å; W144-T161 HydrophobicContact CZ3-CG2 4.04Å
145	D	95	Very high	92.2	Very high	59 Å²	59	43.5 Å²	43.5	32%	0.316	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.6	165.1	168.1	32.3	0	0	0	109.2	N147 T148 L149	D145-N147 VanDerWaalsContact C-N 3.26Å; D145-N147 PolarHBondContact O-N 3.41Å; D145-N147 PolarHBondContact OD1-N 2.79Å; D145-N147 PolarHBondContact OD1-ND2 3.17Å; D145-N147 VanDerWaalsContact OD1-ND2 3.15Å; D145-T148 PolarHBondContact O-N 3.29Å; D145-T148 WeakPolarHBondContact OD2-CB 3.47Å; D145-T148 PolarHBondContact OD2-N 2.95Å; D145-T148 VanDerWaalsContact OD2-N 3.13Å; D145-T148 PolarHBondContact OD2-OG1 2.69Å; D145-L149 WeakPolarHBondContact O-CG 3.01Å; D145-L149 PolarHBondContact O-N 2.94Å; D145-L149 VanDerWaalsContact O-N 3.08Å
146	V	94.8	Very high	91	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-34.2	-177.2	179.6	0	0	0	0	110.9	C85 T89 E130 V132 W144 T148 L149 T150	C85-V146 WeakPolarHBondContact SG-CG1 3.42Å; T89-V146 HydrophobicContact CG2-CG1 3.96Å; E130-V146 HydrophobicContact CB-CB 4.42Å; E130-V146 WeakPolarHBondContact O-CB 3.4Å; E130-V146 VanDerWaalsContact O-CG2 3.26Å; E130-V146 WeakPolarHBondContact O-CG2 3.25Å; E130-V146 PolarHBondContact O-N 2.95Å; V132-V146 HydrophobicContact CB-CG2 4.17Å; V132-V146 HydrophobicContact CG2-CG2 3.48Å; V132-V146 VanDerWaalsContact CG2-CG2 3.48Å; W144-V146 PolarHBondContact O-N 3.28Å; V146-T148 PolarHBondContact O-N 3.09Å; V146-L149 PolarHBondContact O-N 3.49Å; V146-T150 HydrophobicContact CG1-CG2 4.08Å; V146-T150 WeakPolarHBondContact O-CG2 3.4Å; V146-T150 PolarHBondContact O-N 2.99Å; V146-T150 PolarHBondContact O-OG1 3.21Å
147	N	92.5	Very high	89.8	Confident	85 Å²	85	53 Å²	53	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-46.8	179.9	-59.7	-65.3	0	0	0	110.5	D145 L149 T150 A151	D145-N147 VanDerWaalsContact C-N 3.26Å; D145-N147 PolarHBondContact O-N 3.41Å; D145-N147 PolarHBondContact OD1-N 2.79Å; D145-N147 PolarHBondContact OD1-ND2 3.17Å; D145-N147 VanDerWaalsContact OD1-ND2 3.15Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 PolarHBondContact O-N 3.11Å; N147-T150 PolarHBondContact O-N 3Å; N147-T150 PolarHBondContact O-OG1 2.75Å; N147-A151 WeakPolarHBondContact O-CB 3.4Å; N147-A151 PolarHBondContact O-N 2.91Å; N147-A151 VanDerWaalsContact O-N 3.12Å
148	T	92.5	Very high	88.5	Confident	60 Å²	60	56.5 Å²	56.5	37%	0.368	33%	0.331	S	S	.	.	H	α-helix	trans	-56.7	-45.6	172.3	-61.8	0	0	0	0	111.7	D145 V146 T150 A151 L152	D145-T148 PolarHBondContact O-N 3.29Å; D145-T148 WeakPolarHBondContact OD2-CB 3.47Å; D145-T148 PolarHBondContact OD2-N 2.95Å; D145-T148 VanDerWaalsContact OD2-N 3.13Å; D145-T148 PolarHBondContact OD2-OG1 2.69Å; V146-T148 PolarHBondContact O-N 3.09Å; T148-T150 PolarHBondContact O-N 2.99Å; T148-A151 PolarHBondContact O-N 2.76Å; T148-L152 PolarHBondContact O-N 2.86Å
149	L	92.7	Very high	87.7	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-40	179.6	-71.5	-177.8	0	0	0	113.4	I91 V101 L113 W144 D145 V146 N147 A151 L152 V159	I91-L149 HydrophobicContact CD1-CD1 4.33Å; V101-L149 HydrophobicContact CG1-CB 4.5Å; V101-L149 HydrophobicContact CG2-CB 4.18Å; V101-L149 HydrophobicContact CG2-CD1 3.89Å; V101-L149 HydrophobicContact CG2-CG 4.45Å; L113-L149 HydrophobicContact CD1-CD1 4.07Å; L113-L149 HydrophobicContact CD1-CD2 3.86Å; L113-L149 HydrophobicContact CD2-CD2 3.85Å; L113-L149 HydrophobicContact CG-CD2 4.45Å; W144-L149 HydrophobicContact CB-CD1 3.77Å; W144-L149 HydrophobicContact CB-CG 4.44Å; W144-L149 HydrophobicContact CE3-CD2 4.42Å; W144-L149 HydrophobicContact CG-CD1 4.39Å; D145-L149 WeakPolarHBondContact O-CG 3.01Å; D145-L149 PolarHBondContact O-N 2.94Å; D145-L149 VanDerWaalsContact O-N 3.08Å; V146-L149 PolarHBondContact O-N 3.49Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 PolarHBondContact O-N 3.11Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 3.16Å; L149-L152 HydrophobicContact CD2-CD1 4.16Å; L149-L152 WeakPolarHBondContact O-CG 3.45Å; L149-L152 PolarHBondContact O-N 2.87Å; L149-V159 HydrophobicContact CD2-CG2 4.08Å
150	T	90.5	Very high	86.8	Confident	46 Å²	46	57 Å²	57	28%	0.282	35%	0.35	S	S	.	.	H	α-helix	trans	-75	-18.6	179.4	58.3	0	0	0	0	113.5	T89 V146 N147 T148	T89-T150 HydrophobicContact CG2-CG2 3.8Å; V146-T150 HydrophobicContact CG1-CG2 4.08Å; V146-T150 WeakPolarHBondContact O-CG2 3.4Å; V146-T150 PolarHBondContact O-N 2.99Å; V146-T150 PolarHBondContact O-OG1 3.21Å; N147-T150 PolarHBondContact O-N 3Å; N147-T150 PolarHBondContact O-OG1 2.75Å; T148-T150 PolarHBondContact O-N 2.99Å
151	A	90.2	Very high	86	Confident	58 Å²	58	58 Å²	58	48%	0.479	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.3	177.1	0	0	0	0	0	113.8	N147 T148 L149 T153	N147-A151 WeakPolarHBondContact O-CB 3.4Å; N147-A151 PolarHBondContact O-N 2.91Å; N147-A151 VanDerWaalsContact O-N 3.12Å; T148-A151 PolarHBondContact O-N 2.76Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 3.16Å; A151-T153 PolarHBondContact O-N 3.5Å
152	L	86.3	Confident	85.7	Confident	37 Å²	37	60.7 Å²	60.7	19%	0.194	38%	0.379	C	S	.	.			trans	-63.5	133.6	177.1	-66.5	173.3	0	0	0	110.8	T148 L149 N156	T148-L152 PolarHBondContact O-N 2.86Å; L149-L152 HydrophobicContact CD2-CD1 4.16Å; L149-L152 WeakPolarHBondContact O-CG 3.45Å; L149-L152 PolarHBondContact O-N 2.87Å; L152-N156 WeakPolarHBondContact CA-O 3.43Å; L152-N156 WeakPolarHBondContact CD2-O 3.39Å
153	T	80.3	Confident	85.4	Confident	71 Å²	71	63 Å²	63	44%	0.436	40%	0.397	S	S	.	.			trans	-129.4	172.6	176.1	64.8	0	0	0	0	109.4	A151 S155 N156 N157	A151-T153 PolarHBondContact O-N 3.5Å; T153-S155 PolarHBondContact O-N 2.93Å; T153-S155 PolarHBondContact OG1-N 2.94Å; T153-S155 PolarHBondContact OG1-OG 3.1Å; T153-N156 PolarHBondContact N-O 3.16Å; T153-N156 VanDerWaalsContact N-O 3.15Å; T153-N156 CarbonylContact O-C 3.59Å; T153-N156 PolarHBondContact O-N 3.21Å; T153-N156 VanDerWaalsContact O-N 3.13Å; T153-N156 PolarHBondContact OG1-N 2.76Å; T153-N157 PolarHBondContact O-N 3.47Å
154	A	72.8	Confident	85.3	Confident	103 Å²	103	62.6 Å²	62.6	85%	0.851	40%	0.395	S	S	*	.	S	Bend	trans	-56.7	-29.9	171.5	0	0	0	0	0	112.6
155	S	72.3	Confident	85.1	Confident	117 Å²	117	66 Å²	66	82%	0.818	42%	0.419	S	S	*	.	S	Bend	trans	-86.2	-23	177	54	0	0	0	0	114.4	T153	T153-S155 PolarHBondContact O-N 2.93Å; T153-S155 PolarHBondContact OG1-N 2.94Å; T153-S155 PolarHBondContact OG1-OG 3.1Å
156	N	74.2	Confident	84.9	Confident	80 Å²	80	64.3 Å²	64.3	43%	0.428	42%	0.416	S	S	.	.			trans	-126.2	74.9	177.5	-174.7	19.8	0	0	0	109.6	L152 T153	L152-N156 WeakPolarHBondContact CA-O 3.43Å; L152-N156 WeakPolarHBondContact CD2-O 3.39Å; T153-N156 PolarHBondContact N-O 3.16Å; T153-N156 VanDerWaalsContact N-O 3.15Å; T153-N156 CarbonylContact O-C 3.59Å; T153-N156 PolarHBondContact O-N 3.21Å; T153-N156 VanDerWaalsContact O-N 3.13Å; T153-N156 PolarHBondContact OG1-N 2.76Å
157	N	72.1	Confident	84.9	Confident	119 Å²	119	65 Å²	65	64%	0.636	42%	0.42	S	S	*	.			trans	-102.3	9.4	-175.6	66.3	-2.4	0	0	0	113.5	T153	T153-N157 PolarHBondContact O-N 3.47Å
158	T	70.2	Confident	85	Confident	104 Å²	104	67.6 Å²	67.6	64%	0.638	43%	0.427	S	S	*	.			trans	-98.9	129	-180	57.7	0	0	0	0	111.2
159	V	80.1	Confident	85.3	Confident	44 Å²	44	67.6 Å²	67.6	27%	0.267	42%	0.424	S	S	.	.			trans	-119.6	132.5	173.9	64.2	0	0	0	0	109.8	L113 W144 L149	L113-V159 HydrophobicContact CD2-CG1 4.37Å; W144-V159 HydrophobicContact CE3-CG2 4.25Å; W144-V159 HydrophobicContact CZ3-CG1 4.09Å; W144-V159 HydrophobicContact CZ3-CG2 4.24Å; L149-V159 HydrophobicContact CD2-CG2 4.08Å
160	T	78.7	Confident	85.5	Confident	124 Å²	124	68.5 Å²	68.5	76%	0.761	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-74.2	128.6	172.9	49.2	0	0	0	0	109.5
161	T	81.4	Confident	85.9	Confident	79 Å²	79	66.3 Å²	66.3	49%	0.485	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-97.2	117.7	-178.9	54.3	0	0	0	0	109.6	T115 W144	T115-T161 HydrophobicContact CG2-CG2 3.83Å; W144-T161 HydrophobicContact CH2-CG2 4.06Å; W144-T161 HydrophobicContact CZ3-CG2 4.04Å
162	S	90.8	Very high	86.3	Confident	57 Å²	57	67.2 Å²	67.2	40%	0.399	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.3	167.9	-67.5	0	0	0	0	108.6	F142 L143	F142-S162 CarbonylContact C-O 3.51Å; F142-S162 VanDerWaalsContact CA-O 3.32Å; F142-S162 WeakPolarHBondContact CA-O 3.41Å; L143-S162 PolarHBondContact N-O 3.25Å
163	S	93.4	Very high	86.9	Confident	62 Å²	62	65.8 Å²	65.8	43%	0.434	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.1	-178.3	69.4	0	0	0	0	112.8	I141	I141-S163 CarbonylContact O-C 3.48Å; I141-S163 WeakPolarHBondContact O-CA 3.47Å
164	L	95.4	Very high	87.8	Confident	3 Å²	3	63 Å²	63	2%	0.016	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.7	174.5	-51.8	175	0	0	0	109.5	I141 L143 I183 W195 C200	I141-L164 HydrophobicContact CB-CB 4.11Å; I141-L164 HydrophobicContact CB-CD1 4.44Å; I141-L164 HydrophobicContact CD1-CB 4.45Å; I141-L164 HydrophobicContact CG2-CD1 4.08Å; I141-L164 HydrophobicContact CG2-CG 4.5Å; I141-L164 PolarHBondContact O-N 2.92Å; L143-L164 HydrophobicContact CD1-CD1 4.45Å; L143-L164 HydrophobicContact CD1-CD2 4.11Å; L143-L164 HydrophobicContact CD1-CG 4.31Å; L143-L164 HydrophobicContact CD2-CD1 4.21Å; L143-L164 HydrophobicContact CG-CD1 4.46Å; L143-L164 HydrophobicContact CG-CG 4.38Å; L164-I183 HydrophobicContact CD1-CD1 4Å; L164-I183 HydrophobicContact CD1-CG2 3.51Å; L164-W195 HydrophobicContact CB-CD2 4.35Å; L164-W195 HydrophobicContact CB-CG 4.35Å; L164-W195 HydrophobicContact CD1-CB 4.11Å; L164-W195 HydrophobicContact CD1-CD2 4.31Å; L164-W195 HydrophobicContact CD1-CE3 4.49Å; L164-W195 HydrophobicContact CD1-CG 4.16Å; L164-W195 HydrophobicContact CD2-CB 4.37Å; L164-W195 HydrophobicContact CD2-CG 4.42Å; L164-C200 HydrophobicContact CD2-CB 3.72Å
165	S	90.6	Very high	89	Confident	76 Å²	76	58.6 Å²	58.6	53%	0.531	35%	0.348	S	S	.	.			trans	-84.1	152.6	177.1	71.6	0	0	0	0	111.7	W195 K202	S165-W195 PolarHBondContact O-NE1 2.68Å; S165-K202 WeakPolarHBondContact O-CE 3.38Å; S165-K202 PolarHBondContact OG-NZ 3.47Å
166	G	90.7	Very high	90.3	Very high	23 Å²	23	53.8 Å²	53.8	24%	0.237	31%	0.312	C	S	.	.			trans	136.1	-19.5	162.4	0	0	0	0	0	116.4	K168 R193	G166-K168 PolarHBondContact O-N 2.72Å; G166-R193 PolarHBondContact O-NE 3.03Å; G166-R193 PolarHBondContact O-NH1 2.91Å; G166-R193 PolarHBondContact O-NH2 2.78Å
167	N	95	Very high	91.4	Very high	15 Å²	15	50 Å²	50	8%	0.08	29%	0.292	C	S	.	.			trans	-63.2	132.5	173.5	-64.5	-71.9	0	0	0	109.7	I141 I171 S185 R193 W195	I141-N167 WeakPolarHBondContact CD1-ND2 3.35Å; N167-I171 HydrophobicContact CB-CD1 4.05Å; N167-I171 HydrophobicContact CB-CG1 4.13Å; N167-I171 WeakPolarHBondContact ND2-CD1 3.37Å; N167-S185 PolarHBondContact OD1-OG 2.96Å; N167-R193 WeakPolarHBondContact OD1-CD 3.46Å; N167-W195 WeakPolarHBondContact ND2-CH2 3.39Å
168	K	95.6	Very high	92.6	Very high	139 Å²	139	47.7 Å²	47.7	60%	0.604	28%	0.277	S	S	*	.			trans	-93.9	-17.2	178.6	-66	-174.9	177.1	-173	0	113	R139 G166 E189	R139-K168 PolarHBondContact NH1-O 3.3Å; G166-K168 PolarHBondContact O-N 2.72Å; K168-E189 HydrophobicContact CB-CG 4.42Å; K168-E189 PolarHBondContact N-OE2 2.96Å; K168-E189 VanDerWaalsContact N-OE2 3.17Å
169	D	97.7	Very high	93.9	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	26%	0.263	S	S	.	.	S	Bend	trans	-137.4	172.2	-172.4	-143.1	-35.4	0	0	0	110.8	T188 E189	D169-T188 WeakPolarHBondContact CB-OG1 3.24Å; D169-T188 PolarHBondContact OD1-OG1 3.41Å; D169-T188 PolarHBondContact OD2-OG1 2.99Å; D169-E189 HydrophobicContact CB-CB 4.01Å
170	S	98.1	Very high	94.7	Very high	22 Å²	22	43.6 Å²	43.6	15%	0.154	25%	0.25	C	S	.	.			trans	-63.6	134.1	-175.6	-66.5	0	0	0	0	112.8	L137 S187 T188	L137-S170 PolarHBondContact O-OG 3.13Å; L137-S170 VanDerWaalsContact O-OG 3.12Å; S170-S187 VanDerWaalsContact O-CA 3.28Å; S170-S187 WeakPolarHBondContact O-CA 3.08Å; S170-S187 WeakPolarHBondContact O-CB 3.3Å; S170-T188 PolarHBondContact N-OG1 2.78Å; S170-T188 PolarHBondContact O-N 3.03Å; S170-T188 PolarHBondContact O-OG1 3.07Å
171	I	98.7	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.2	-174.5	-54.5	165.2	0	0	0	109.1	K121 A135 G136 I141 N167 S173 G186	K121-I171 WeakPolarHBondContact CB-O 3.32Å; A135-I171 HydrophobicContact CB-CB 4.1Å; A135-I171 HydrophobicContact CB-CD1 3.96Å; A135-I171 HydrophobicContact CB-CG2 3.68Å; G136-I171 PolarHBondContact O-N 2.75Å; I141-I171 HydrophobicContact CD1-CD1 4.11Å; I141-I171 HydrophobicContact CG1-CD1 3.55Å; N167-I171 HydrophobicContact CB-CD1 4.05Å; N167-I171 HydrophobicContact CB-CG1 4.13Å; N167-I171 WeakPolarHBondContact ND2-CD1 3.37Å; I171-S173 WeakPolarHBondContact CG2-O 3.35Å; I171-G186 WeakPolarHBondContact CG2-O 3.39Å
172	Y	98.8	Very high	96.4	Very high	78 Å²	78	37.6 Å²	37.6	31%	0.306	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-17.7	-178.2	-81.4	-95.3	0	0	0	113.6	L137 G186 T188 N212	L137-Y172 HydrophobicContact CD2-CE1 4.46Å; L137-Y172 HydrophobicContact CD2-CE2 3.95Å; Y172-G186 PolarHBondContact N-O 3.08Å; Y172-T188 HydrophobicContact CD2-CG2 4.04Å; Y172-T188 HydrophobicContact CE2-CG2 3.64Å; Y172-N212 WeakPolarHBondContact CD2-ND2 3.39Å; Y172-N212 VanDerWaalsContact CG-ND2 3.28Å
173	S	98.6	Very high	96.8	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.2	176.4	56.3	0	0	0	0	111.6	I171 G186 V213 K214	I171-S173 WeakPolarHBondContact CG2-O 3.35Å; S173-G186 PolarHBondContact N-O 3.43Å; S173-G186 VanDerWaalsContact N-O 3.12Å; S173-G186 PolarHBondContact O-N 3.34Å; S173-G186 WeakPolarHBondContact OG-CA 3.39Å; S173-V213 PolarHBondContact OG-O 3.08Å; S173-K214 WeakPolarHBondContact CB-O 3.5Å
174	L	98.7	Very high	97	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.1	-178.9	-159.9	68.9	0	0	0	108.4	A122 A124 A133 A135 I141 I183 V184	A122-L174 HydrophobicContact CB-CB 3.88Å; A124-L174 HydrophobicContact CB-CB 4.07Å; A124-L174 HydrophobicContact CB-CD2 3.81Å; A124-L174 HydrophobicContact CB-CG 3.7Å; A133-L174 HydrophobicContact CB-CD2 3.6Å; A135-L174 HydrophobicContact CB-CD1 4.1Å; A135-L174 HydrophobicContact CB-CD2 3.88Å; A135-L174 HydrophobicContact CB-CG 4.43Å; I141-L174 HydrophobicContact CD1-CD1 3.93Å; I141-L174 HydrophobicContact CG1-CD1 4.34Å; I141-L174 HydrophobicContact CG2-CD1 4.28Å; I141-L174 HydrophobicContact CG2-CD2 4.23Å; L174-I183 HydrophobicContact CD1-CD1 4.07Å; L174-I183 HydrophobicContact CD1-CG1 4.21Å; L174-I183 HydrophobicContact CD2-CD1 4.29Å; L174-I183 HydrophobicContact CG-CD1 4.22Å; L174-I183 HydrophobicContact CG-CG1 4.41Å; L174-V184 WeakPolarHBondContact CA-O 3.36Å
175	A	98.7	Very high	97.2	Very high	9 Å²	9	31.8 Å²	31.8	7%	0.074	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.6	173.1	0	0	0	0	0	110.6	I183 V184 L216 L218	A175-I183 CarbonylContact O-C 3.55Å; A175-I183 WeakPolarHBondContact O-CA 3.42Å; A175-I183 WeakPolarHBondContact O-CG1 3.48Å; A175-V184 PolarHBondContact N-O 3Å; A175-V184 PolarHBondContact O-N 2.86Å; A175-L216 HydrophobicContact CB-CB 3.59Å; A175-L218 HydrophobicContact CB-CD1 4.12Å; A175-L218 HydrophobicContact CB-CG 4.28Å
176	M	98.5	Very high	97.5	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	173.6	-154.8	178.6	-39.6	0	0	108	A124 A126 L131 A133 I182 I183 P197	A124-M176 HydrophobicContact CB-CB 3.99Å; A124-M176 HydrophobicContact CB-CE 4.39Å; A126-M176 HydrophobicContact CB-CG 4.04Å; A126-M176 HydrophobicContact CB-SD 3.48Å; A126-M176 WeakPolarHBondContact CB-SD 3.13Å; L131-M176 HydrophobicContact CD2-CE 4.4Å; L131-M176 HydrophobicContact CD2-SD 3.93Å; L131-M176 HydrophobicContact CG-SD 4.44Å; A133-M176 HydrophobicContact CB-CE 3.62Å; M176-I182 WeakPolarHBondContact CA-O 3.47Å; M176-I182 VanDerWaalsContact CG-O 3.27Å; M176-I182 WeakPolarHBondContact CG-O 3.41Å; M176-I183 HydrophobicContact CE-CD1 4.06Å; M176-I183 HydrophobicContact CG-CB 4.16Å; M176-I183 HydrophobicContact CG-CG1 4.49Å; M176-P197 HydrophobicContact SD-CB 4.46Å; M176-P197 HydrophobicContact SD-CG 4.27Å
177	N	98.2	Very high	97.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.135	C	C	.	.			trans	-76.1	161	175.1	73.7	-45.7	0	0	0	110.6	A126 L179 G180 T181 I182 L218 N219 R220	A126-N177 WeakPolarHBondContact CB-O 3.47Å; N177-L179 PolarHBondContact O-N 2.71Å; N177-G180 PolarHBondContact O-N 3Å; N177-G180 PolarHBondContact OD1-N 3.4Å; N177-T181 PolarHBondContact ND2-OG1 3.09Å; N177-T181 PolarHBondContact OD1-N 2.63Å; N177-T181 PolarHBondContact OD1-OG1 3.31Å; N177-I182 PolarHBondContact N-O 2.83Å; N177-I182 PolarHBondContact OD1-N 2.97Å; N177-I182 PolarHBondContact OD1-O 2.98Å; N177-L218 HydrophobicContact CB-CB 4.11Å; N177-L218 HydrophobicContact CB-CD1 4.28Å; N177-N219 WeakPolarHBondContact CB-O 3.46Å; N177-R220 PolarHBondContact ND2-O 2.79Å
178	Q	96.8	Very high	98.1	Very high	70 Å²	70	28.4 Å²	28.4	33%	0.327	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.8	-174.6	-167.6	-177.5	-23.5	0	0	113.3	K127 D128 G180 R220	K127-Q178 HydrophobicContact CB-CG 4.05Å; K127-Q178 PolarHBondContact N-O 3.01Å; D128-Q178 WeakPolarHBondContact CB-O 3.33Å; D128-Q178 PolarHBondContact N-O 3.09Å; D128-Q178 VanDerWaalsContact N-O 3.13Å; D128-Q178 WeakPolarHBondContact OD1-CG 3.31Å; D128-Q178 PolarHBondContact OD1-NE2 2.61Å; Q178-G180 VanDerWaalsContact C-N 3.26Å; Q178-G180 PolarHBondContact O-N 3.44Å; Q178-R220 HydrophobicContact CB-CG 4.08Å
179	L	97.4	Very high	98.1	Very high	63 Å²	63	23.7 Å²	23.7	33%	0.33	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.2	178.8	-58.4	172	0	0	0	113.5	D128 K129 N177 T181	D128-L179 WeakPolarHBondContact OD2-CD2 3.41Å; K129-L179 WeakPolarHBondContact CD-O 3.31Å; K129-L179 WeakPolarHBondContact CE-O 3.26Å; K129-L179 PolarHBondContact NZ-O 3.01Å; N177-L179 PolarHBondContact O-N 2.71Å; L179-T181 HydrophobicContact CB-CG2 4.1Å
180	G	96.6	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	60.1	46.4	-176.4	0	0	0	0	0	112.9	K129 N177 Q178 P197	K129-G180 PolarHBondContact NZ-O 2.99Å; N177-G180 PolarHBondContact O-N 3Å; N177-G180 PolarHBondContact OD1-N 3.4Å; Q178-G180 VanDerWaalsContact C-N 3.26Å; Q178-G180 PolarHBondContact O-N 3.44Å; G180-P197 WeakPolarHBondContact O-CG 3.43Å
181	T	97.7	Very high	98.2	Very high	54 Å²	54	25.3 Å²	25.3	33%	0.331	13%	0.127	S	C	.	.	S	Bend	trans	-109.6	-19.6	176.8	54.4	0	0	0	0	112.4	N177 L179 P197	N177-T181 PolarHBondContact ND2-OG1 3.09Å; N177-T181 PolarHBondContact OD1-N 2.63Å; N177-T181 PolarHBondContact OD1-OG1 3.31Å; L179-T181 HydrophobicContact CB-CG2 4.1Å; T181-P197 VanDerWaalsContact C-CD 3.5Å; T181-P197 WeakPolarHBondContact O-CD 3.46Å
182	I	98.4	Very high	98.2	Very high	22 Å²	22	25.3 Å²	25.3	11%	0.113	13%	0.127	C	C	.	.			trans	-137.2	132.8	-178.7	-62.2	-64.8	0	0	0	109.1	M176 N177 V184 V194 L203 L218 L239	M176-I182 WeakPolarHBondContact CA-O 3.47Å; M176-I182 VanDerWaalsContact CG-O 3.27Å; M176-I182 WeakPolarHBondContact CG-O 3.41Å; N177-I182 PolarHBondContact N-O 2.83Å; N177-I182 PolarHBondContact OD1-N 2.97Å; N177-I182 PolarHBondContact OD1-O 2.98Å; I182-V184 HydrophobicContact CG2-CG2 4.04Å; I182-V194 HydrophobicContact CG2-CG1 3.65Å; I182-L203 HydrophobicContact CD1-CD1 3.37Å; I182-L218 HydrophobicContact CG2-CD1 4.21Å; I182-L218 HydrophobicContact CG2-CD2 4.33Å; I182-L239 HydrophobicContact CG2-CD1 3.89Å
183	I	98.6	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	167.8	-172.2	178.7	0	0	0	109.8	A133 I141 L143 L164 L174 A175 M176 V194 W195 P197	A133-I183 HydrophobicContact CB-CD1 3.5Å; A133-I183 VanDerWaalsContact CB-CD1 3.5Å; I141-I183 HydrophobicContact CG2-CD1 4.08Å; L143-I183 HydrophobicContact CD2-CD1 4.06Å; L164-I183 HydrophobicContact CD1-CD1 4Å; L164-I183 HydrophobicContact CD1-CG2 3.51Å; L174-I183 HydrophobicContact CD1-CD1 4.07Å; L174-I183 HydrophobicContact CD1-CG1 4.21Å; L174-I183 HydrophobicContact CD2-CD1 4.29Å; L174-I183 HydrophobicContact CG-CD1 4.22Å; L174-I183 HydrophobicContact CG-CG1 4.41Å; A175-I183 CarbonylContact O-C 3.55Å; A175-I183 WeakPolarHBondContact O-CA 3.42Å; A175-I183 WeakPolarHBondContact O-CG1 3.48Å; M176-I183 HydrophobicContact CE-CD1 4.06Å; M176-I183 HydrophobicContact CG-CB 4.16Å; M176-I183 HydrophobicContact CG-CG1 4.49Å; I183-V194 VanDerWaalsContact O-CA 3.31Å; I183-V194 WeakPolarHBondContact O-CA 3.28Å; I183-W195 HydrophobicContact CG2-CB 3.79Å; I183-W195 HydrophobicContact CG2-CE3 4.37Å; I183-W195 PolarHBondContact N-O 2.66Å; I183-W195 PolarHBondContact O-N 3.14Å; I183-P197 HydrophobicContact CG2-CB 4.27Å
184	V	98.7	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.8	-179.4	-174.4	0	0	0	0	109.9	L174 A175 I182 L192 R193 V194 L216 L218	L174-V184 WeakPolarHBondContact CA-O 3.36Å; A175-V184 PolarHBondContact N-O 3Å; A175-V184 PolarHBondContact O-N 2.86Å; I182-V184 HydrophobicContact CG2-CG2 4.04Å; V184-L192 HydrophobicContact CG1-CB 3.9Å; V184-L192 HydrophobicContact CG1-CD2 3.96Å; V184-L192 HydrophobicContact CG1-CG 4.24Å; V184-R193 CarbonylContact C-O 3.19Å; V184-R193 VanDerWaalsContact CA-O 3.28Å; V184-R193 WeakPolarHBondContact CA-O 3.07Å; V184-V194 HydrophobicContact CG1-CG2 4.35Å; V184-V194 HydrophobicContact CG2-CB 4.49Å; V184-V194 HydrophobicContact CG2-CG1 4.04Å; V184-V194 HydrophobicContact CG2-CG2 4.04Å; V184-L216 HydrophobicContact CB-CD1 4.32Å; V184-L216 HydrophobicContact CG1-CD1 3.95Å; V184-L216 HydrophobicContact CG1-CD2 4.17Å; V184-L216 WeakPolarHBondContact O-CD1 3.48Å; V184-L218 HydrophobicContact CG2-CD1 4.06Å; V184-L218 HydrophobicContact CG2-CD2 3.97Å; V184-L218 HydrophobicContact CG2-CG 4.38Å
185	S	98.7	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.3	171.9	69.4	0	0	0	0	112.3	N167 L192 R193 W195	N167-S185 PolarHBondContact OD1-OG 2.96Å; S185-L192 VanDerWaalsContact O-CA 3.31Å; S185-L192 WeakPolarHBondContact O-CA 3.42Å; S185-R193 PolarHBondContact N-O 3.34Å; S185-R193 PolarHBondContact O-N 2.65Å; S185-W195 VanDerWaalsContact OG-CH2 3.27Å; S185-W195 WeakPolarHBondContact OG-CH2 3.48Å; S185-W195 VanDerWaalsContact OG-CZ3 3.23Å; S185-W195 WeakPolarHBondContact OG-CZ3 3.3Å
186	G	98.5	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.1	173.7	0	0	0	0	0	110.1	I171 Y172 S173 V213 L216	I171-G186 WeakPolarHBondContact CG2-O 3.39Å; Y172-G186 PolarHBondContact N-O 3.08Å; S173-G186 PolarHBondContact N-O 3.43Å; S173-G186 VanDerWaalsContact N-O 3.12Å; S173-G186 PolarHBondContact O-N 3.34Å; S173-G186 WeakPolarHBondContact OG-CA 3.39Å; G186-V213 CarbonylContact C-O 3.52Å; G186-L216 VanDerWaalsContact N-CD1 3.32Å
187	S	98.2	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	174	-169.8	63.9	0	0	0	0	112	S170 E189 K190 N212 V213	S170-S187 VanDerWaalsContact O-CA 3.28Å; S170-S187 WeakPolarHBondContact O-CA 3.08Å; S170-S187 WeakPolarHBondContact O-CB 3.3Å; S187-E189 PolarHBondContact O-N 2.9Å; S187-E189 WeakPolarHBondContact OG-CB 3.4Å; S187-E189 PolarHBondContact OG-N 2.98Å; S187-K190 PolarHBondContact O-N 2.88Å; S187-K190 VanDerWaalsContact O-N 3.16Å; S187-N212 PolarHBondContact O-OD1 2.93Å; S187-V213 PolarHBondContact O-N 2.98Å
188	T	98.1	Very high	97.8	Very high	43 Å²	43	30.1 Å²	30.1	26%	0.264	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.1	166.6	40.4	0	0	0	0	113.3	D169 S170 Y172 K190 N212	D169-T188 WeakPolarHBondContact CB-OG1 3.24Å; D169-T188 PolarHBondContact OD1-OG1 3.41Å; D169-T188 PolarHBondContact OD2-OG1 2.99Å; S170-T188 PolarHBondContact N-OG1 2.78Å; S170-T188 PolarHBondContact O-N 3.03Å; S170-T188 PolarHBondContact O-OG1 3.07Å; Y172-T188 HydrophobicContact CD2-CG2 4.04Å; Y172-T188 HydrophobicContact CE2-CG2 3.64Å; T188-K190 WeakPolarHBondContact O-CG 3.06Å; T188-K190 PolarHBondContact O-N 2.97Å; T188-N212 HydrophobicContact CG2-CB 4.03Å; T188-N212 PolarHBondContact N-OD1 2.93Å
189	E	97.5	Very high	97.8	Very high	41 Å²	41	30.4 Å²	30.4	19%	0.192	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.1	169.7	-161.5	-178.9	169.5	0	0	111.8	K168 D169 S187 V191 R193	K168-E189 HydrophobicContact CB-CG 4.42Å; K168-E189 PolarHBondContact N-OE2 2.96Å; K168-E189 VanDerWaalsContact N-OE2 3.17Å; D169-E189 HydrophobicContact CB-CB 4.01Å; S187-E189 PolarHBondContact O-N 2.9Å; S187-E189 WeakPolarHBondContact OG-CB 3.4Å; S187-E189 PolarHBondContact OG-N 2.98Å; E189-V191 PolarHBondContact O-N 2.85Å; E189-R193 IonicContact OE1-CZ 3.75Å; E189-R193 IonicContact OE1-NE 3.86Å; E189-R193 IonicContact OE1-NH2 3.09Å; E189-R193 PolarHBondContact OE1-NH2 3.04Å; E189-R193 IonicContact OE2-CZ 3.25Å; E189-R193 IonicContact OE2-NE 2.76Å; E189-R193 PolarHBondContact OE2-NE 3.31Å; E189-R193 IonicContact OE2-NH2 2.82Å; E189-R193 PolarHBondContact OE2-NH2 2.82Å
190	K	98.1	Very high	97.7	Very high	95 Å²	95	29.8 Å²	29.8	41%	0.413	15%	0.15	S	C	.	.	S	Bend	trans	64.9	3.7	179.7	-43.8	171.6	176.5	-159.6	0	114.1	S187 T188 T210	S187-K190 PolarHBondContact O-N 2.88Å; S187-K190 VanDerWaalsContact O-N 3.16Å; T188-K190 WeakPolarHBondContact O-CG 3.06Å; T188-K190 PolarHBondContact O-N 2.97Å; K190-T210 VanDerWaalsContact CD-O 3.31Å; K190-T210 WeakPolarHBondContact CD-O 3.12Å; K190-T210 WeakPolarHBondContact CE-O 3.34Å; K190-T210 PolarHBondContact NZ-O 3.37Å
191	V	98.2	Very high	97.8	Very high	20 Å²	20	31.8 Å²	31.8	12%	0.121	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.7	-179.1	178	0	0	0	0	108.1	E189 K205 K207	E189-V191 PolarHBondContact O-N 2.85Å; V191-K205 HydrophobicContact CG1-CB 3.88Å; V191-K207 HydrophobicContact CG1-CG 4.26Å; V191-K207 HydrophobicContact CG2-CG 3.98Å
192	L	98.6	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.6	172.4	-66.8	64.3	0	0	0	108.6	V184 S185 K205 L206 V213 L216 W237	V184-L192 HydrophobicContact CG1-CB 3.9Å; V184-L192 HydrophobicContact CG1-CD2 3.96Å; V184-L192 HydrophobicContact CG1-CG 4.24Å; S185-L192 VanDerWaalsContact O-CA 3.31Å; S185-L192 WeakPolarHBondContact O-CA 3.42Å; L192-K205 CarbonylContact O-C 3.6Å; L192-K205 WeakPolarHBondContact O-CA 3.48Å; L192-L206 HydrophobicContact CB-CB 4.15Å; L192-L206 HydrophobicContact CB-CD1 4.4Å; L192-L206 HydrophobicContact CD2-CD1 4.43Å; L192-L206 PolarHBondContact N-O 2.94Å; L192-L206 PolarHBondContact O-N 3.05Å; L192-V213 HydrophobicContact CD1-CG1 4.49Å; L192-V213 HydrophobicContact CD1-CG2 3.9Å; L192-L216 HydrophobicContact CD2-CD2 3.52Å; L192-L216 HydrophobicContact CG-CD2 4.1Å; L192-W237 HydrophobicContact CD1-CZ2 4.19Å
193	R	98.5	Very high	97.7	Very high	8 Å²	8	37.7 Å²	37.7	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.4	177	-69.6	169.3	170	-88.4	6.8	109.2	G166 N167 V184 S185 E189 W195 K205	G166-R193 PolarHBondContact O-NE 3.03Å; G166-R193 PolarHBondContact O-NH1 2.91Å; G166-R193 PolarHBondContact O-NH2 2.78Å; N167-R193 WeakPolarHBondContact OD1-CD 3.46Å; V184-R193 CarbonylContact C-O 3.19Å; V184-R193 VanDerWaalsContact CA-O 3.28Å; V184-R193 WeakPolarHBondContact CA-O 3.07Å; S185-R193 PolarHBondContact N-O 3.34Å; S185-R193 PolarHBondContact O-N 2.65Å; E189-R193 IonicContact OE1-CZ 3.75Å; E189-R193 IonicContact OE1-NE 3.86Å; E189-R193 IonicContact OE1-NH2 3.09Å; E189-R193 PolarHBondContact OE1-NH2 3.04Å; E189-R193 IonicContact OE2-CZ 3.25Å; E189-R193 IonicContact OE2-NE 2.76Å; E189-R193 PolarHBondContact OE2-NE 3.31Å; E189-R193 IonicContact OE2-NH2 2.82Å; E189-R193 PolarHBondContact OE2-NH2 2.82Å; R193-W195 HydrophobicContact CB-CE3 4.35Å; R193-W195 HydrophobicContact CB-CH2 3.14Å; R193-W195 HydrophobicContact CB-CZ2 3.8Å; R193-W195 HydrophobicContact CB-CZ3 3.47Å; R193-W195 VanDerWaalsContact CB-CZ3 3.47Å; R193-W195 HydrophobicContact CG-CH2 4.22Å; R193-W195 WeakPolarHBondContact O-CZ3 3.38Å; R193-K205 HydrophobicContact CG-CG 4.41Å
194	V	98.6	Very high	97.6	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.7	-170.9	-167.8	0	0	0	0	110	I182 I183 V184 L203 M204 L206	I182-V194 HydrophobicContact CG2-CG1 3.65Å; I183-V194 VanDerWaalsContact O-CA 3.31Å; I183-V194 WeakPolarHBondContact O-CA 3.28Å; V184-V194 HydrophobicContact CG1-CG2 4.35Å; V184-V194 HydrophobicContact CG2-CB 4.49Å; V184-V194 HydrophobicContact CG2-CG1 4.04Å; V184-V194 HydrophobicContact CG2-CG2 4.04Å; V194-L203 HydrophobicContact CB-CB 4.41Å; V194-L203 HydrophobicContact CG1-CB 4.37Å; V194-L203 HydrophobicContact CG1-CD1 4.23Å; V194-L203 PolarHBondContact O-N 2.86Å; V194-M204 HydrophobicContact CB-CG 3.74Å; V194-M204 HydrophobicContact CG1-CG 4.46Å; V194-M204 HydrophobicContact CG2-CG 3.53Å; V194-M204 HydrophobicContact CG2-SD 4.3Å; V194-M204 PolarHBondContact N-O 3Å; V194-M204 VanDerWaalsContact N-O 3.12Å; V194-L206 HydrophobicContact CG2-CD1 4.26Å; V194-L206 HydrophobicContact CG2-CG 4.43Å
195	W	98.5	Very high	97.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	160.3	177.3	-58.6	-106.6	0	0	0	111.4	I141 L164 S165 N167 I183 S185 R193 A201	I141-W195 HydrophobicContact CD1-CE3 4.45Å; I141-W195 HydrophobicContact CD1-CH2 3.9Å; I141-W195 HydrophobicContact CD1-CZ3 3.82Å; L164-W195 HydrophobicContact CB-CD2 4.35Å; L164-W195 HydrophobicContact CB-CG 4.35Å; L164-W195 HydrophobicContact CD1-CB 4.11Å; L164-W195 HydrophobicContact CD1-CD2 4.31Å; L164-W195 HydrophobicContact CD1-CE3 4.49Å; L164-W195 HydrophobicContact CD1-CG 4.16Å; L164-W195 HydrophobicContact CD2-CB 4.37Å; L164-W195 HydrophobicContact CD2-CG 4.42Å; S165-W195 PolarHBondContact O-NE1 2.68Å; N167-W195 WeakPolarHBondContact ND2-CH2 3.39Å; I183-W195 HydrophobicContact CG2-CB 3.79Å; I183-W195 HydrophobicContact CG2-CE3 4.37Å; I183-W195 PolarHBondContact N-O 2.66Å; I183-W195 PolarHBondContact O-N 3.14Å; S185-W195 VanDerWaalsContact OG-CH2 3.27Å; S185-W195 WeakPolarHBondContact OG-CH2 3.48Å; S185-W195 VanDerWaalsContact OG-CZ3 3.23Å; S185-W195 WeakPolarHBondContact OG-CZ3 3.3Å; R193-W195 HydrophobicContact CB-CE3 4.35Å; R193-W195 HydrophobicContact CB-CH2 3.14Å; R193-W195 HydrophobicContact CB-CZ2 3.8Å; R193-W195 HydrophobicContact CB-CZ3 3.47Å; R193-W195 VanDerWaalsContact CB-CZ3 3.47Å; R193-W195 HydrophobicContact CG-CH2 4.22Å; R193-W195 WeakPolarHBondContact O-CZ3 3.38Å; W195-A201 WeakPolarHBondContact CA-O 3.45Å; W195-A201 WeakPolarHBondContact CB-O 3.32Å
196	D	97.5	Very high	97.5	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.5	159.8	173.6	-6.1	0	0	0	108	R198 T199 C200 A201 L203	D196-R198 PolarHBondContact O-N 3.5Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.13Å; D196-R198 PolarHBondContact OD1-N 3.45Å; D196-R198 IonicContact OD2-NH2 3.5Å; D196-T199 WeakPolarHBondContact CB-OG1 3.42Å; D196-T199 VanDerWaalsContact CG-OG1 3.3Å; D196-T199 PolarHBondContact O-N 2.79Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.37Å; D196-T199 PolarHBondContact OD2-OG1 3.1Å; D196-T199 VanDerWaalsContact OD2-OG1 3.14Å; D196-C200 VanDerWaalsContact O-CA 3.27Å; D196-C200 WeakPolarHBondContact O-CA 3.48Å; D196-C200 PolarHBondContact O-N 2.84Å; D196-A201 PolarHBondContact N-O 3.46Å; D196-L203 HydrophobicContact CB-CD1 4.24Å; D196-L203 HydrophobicContact CB-CD2 4.35Å; D196-L203 HydrophobicContact CB-CG 4.46Å
197	P	96.7	Very high	97.5	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.052	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.4	-176.9	29.6	-35.2	0	0	0	113.5	L131 L143 M176 G180 T181 I183	L131-P197 HydrophobicContact CD2-CB 4.05Å; L143-P197 HydrophobicContact CD1-CB 3.9Å; L143-P197 VanDerWaalsContact CD1-O 3.22Å; L143-P197 WeakPolarHBondContact CD1-O 3.46Å; L143-P197 HydrophobicContact CD2-CB 4.38Å; M176-P197 HydrophobicContact SD-CB 4.46Å; M176-P197 HydrophobicContact SD-CG 4.27Å; G180-P197 WeakPolarHBondContact O-CG 3.43Å; T181-P197 VanDerWaalsContact C-CD 3.5Å; T181-P197 WeakPolarHBondContact O-CD 3.46Å; I183-P197 HydrophobicContact CG2-CB 4.27Å
198	R	94.9	Very high	97.5	Very high	183 Å²	183	53.6 Å²	53.6	69%	0.691	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-41.8	177.5	176.9	-177.1	56.9	111.8	7.2	111.9	D196	D196-R198 PolarHBondContact O-N 3.5Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.13Å; D196-R198 PolarHBondContact OD1-N 3.45Å; D196-R198 IonicContact OD2-NH2 3.5Å
199	T	96	Very high	97.5	Very high	75 Å²	75	52 Å²	52	46%	0.46	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-10.1	-178	59.3	0	0	0	0	112.8	D196 A201	D196-T199 WeakPolarHBondContact CB-OG1 3.42Å; D196-T199 VanDerWaalsContact CG-OG1 3.3Å; D196-T199 PolarHBondContact O-N 2.79Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.37Å; D196-T199 PolarHBondContact OD2-OG1 3.1Å; D196-T199 VanDerWaalsContact OD2-OG1 3.14Å; T199-A201 PolarHBondContact O-N 3.03Å; T199-A201 VanDerWaalsContact O-N 3.12Å; T199-A201 WeakPolarHBondContact OG1-CB 3.38Å; T199-A201 PolarHBondContact OG1-N 3.33Å
200	C	95.9	Very high	97.5	Very high	50 Å²	50	54.7 Å²	54.7	34%	0.338	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	16.4	-169.1	-62.1	0	0	0	0	113.7	L164 D196	L164-C200 HydrophobicContact CD2-CB 3.72Å; D196-C200 VanDerWaalsContact O-CA 3.27Å; D196-C200 WeakPolarHBondContact O-CA 3.48Å; D196-C200 PolarHBondContact O-N 2.84Å
201	A	97.1	Very high	97.6	Very high	43 Å²	43	53.5 Å²	53.5	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.4	-177.6	0	0	0	0	0	111.4	W195 D196 T199	W195-A201 WeakPolarHBondContact CA-O 3.45Å; W195-A201 WeakPolarHBondContact CB-O 3.32Å; D196-A201 PolarHBondContact N-O 3.46Å; T199-A201 PolarHBondContact O-N 3.03Å; T199-A201 VanDerWaalsContact O-N 3.12Å; T199-A201 WeakPolarHBondContact OG1-CB 3.38Å; T199-A201 PolarHBondContact OG1-N 3.33Å
202	K	97.5	Very high	97.6	Very high	124 Å²	124	53.2 Å²	53.2	54%	0.539	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.7	171.1	-70.4	164	-176.9	162.3	0	108.8	S165	S165-K202 WeakPolarHBondContact O-CE 3.38Å; S165-K202 PolarHBondContact OG-NZ 3.47Å
203	L	97.4	Very high	97.6	Very high	75 Å²	75	53.2 Å²	53.2	39%	0.393	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-57.6	180	-61	179.5	0	0	0	111.9	I182 V194 D196	I182-L203 HydrophobicContact CD1-CD1 3.37Å; V194-L203 HydrophobicContact CB-CB 4.41Å; V194-L203 HydrophobicContact CG1-CB 4.37Å; V194-L203 HydrophobicContact CG1-CD1 4.23Å; V194-L203 PolarHBondContact O-N 2.86Å; D196-L203 HydrophobicContact CB-CD1 4.24Å; D196-L203 HydrophobicContact CB-CD2 4.35Å; D196-L203 HydrophobicContact CB-CG 4.46Å
204	M	97.3	Very high	97.6	Very high	27 Å²	27	56 Å²	56	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	170.7	-175.4	66.2	-165.4	76.1	0	0	112.8	V194 L206 L239 Q242	V194-M204 HydrophobicContact CB-CG 3.74Å; V194-M204 HydrophobicContact CG1-CG 4.46Å; V194-M204 HydrophobicContact CG2-CG 3.53Å; V194-M204 HydrophobicContact CG2-SD 4.3Å; V194-M204 PolarHBondContact N-O 3Å; V194-M204 VanDerWaalsContact N-O 3.12Å; M204-L206 HydrophobicContact CG-CD2 4.1Å; M204-L206 HydrophobicContact CG-CG 4.34Å; M204-L206 HydrophobicContact SD-CD2 3.84Å; M204-L206 HydrophobicContact SD-CG 4.47Å; M204-L239 HydrophobicContact CE-CB 4.32Å; M204-L239 VanDerWaalsContact CE-O 3.28Å; M204-L239 WeakPolarHBondContact CE-O 3.36Å; M204-L239 HydrophobicContact SD-CB 4.32Å; M204-L239 HydrophobicContact SD-CD2 4.12Å; M204-Q242 HydrophobicContact CB-CG 4.42Å; M204-Q242 HydrophobicContact CE-CG 4.09Å; M204-Q242 HydrophobicContact SD-CB 4.19Å; M204-Q242 HydrophobicContact SD-CG 3.83Å
205	K	97.4	Very high	97.6	Very high	112 Å²	112	56.3 Å²	56.3	49%	0.487	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.1	171.3	-57.7	-173.5	-166.1	-173.9	0	109.3	V191 L192 R193	V191-K205 HydrophobicContact CG1-CB 3.88Å; L192-K205 CarbonylContact O-C 3.6Å; L192-K205 WeakPolarHBondContact O-CA 3.48Å; R193-K205 HydrophobicContact CG-CG 4.41Å
206	L	98.1	Very high	97.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.2	-176.7	-52.6	173.3	0	0	0	109.5	L192 V194 M204 W237 L239	L192-L206 HydrophobicContact CB-CB 4.15Å; L192-L206 HydrophobicContact CB-CD1 4.4Å; L192-L206 HydrophobicContact CD2-CD1 4.43Å; L192-L206 PolarHBondContact N-O 2.94Å; L192-L206 PolarHBondContact O-N 3.05Å; V194-L206 HydrophobicContact CG2-CD1 4.26Å; V194-L206 HydrophobicContact CG2-CG 4.43Å; M204-L206 HydrophobicContact CG-CD2 4.1Å; M204-L206 HydrophobicContact CG-CG 4.34Å; M204-L206 HydrophobicContact SD-CD2 3.84Å; M204-L206 HydrophobicContact SD-CG 4.47Å; L206-W237 HydrophobicContact CB-CD2 4.19Å; L206-W237 HydrophobicContact CB-CE3 3.65Å; L206-W237 HydrophobicContact CB-CH2 4.09Å; L206-W237 HydrophobicContact CB-CZ3 3.6Å; L206-W237 HydrophobicContact CD1-CB 4.06Å; L206-W237 HydrophobicContact CD1-CD2 3.96Å; L206-W237 HydrophobicContact CD1-CE3 3.97Å; L206-W237 HydrophobicContact CD1-CG 4Å; L206-W237 HydrophobicContact CD2-CE3 4.21Å; L206-W237 HydrophobicContact CG-CE3 4.16Å; L206-L239 HydrophobicContact CD1-CD2 3.68Å
207	K	97.9	Very high	97.7	Very high	167 Å²	167	57.1 Å²	57.1	73%	0.726	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.9	176.9	-63.3	-177.5	178.9	179.3	0	110	V191 W237	V191-K207 HydrophobicContact CG1-CG 4.26Å; V191-K207 HydrophobicContact CG2-CG 3.98Å; K207-W237 WeakPolarHBondContact O-CH2 3.08Å; K207-W237 WeakPolarHBondContact O-CZ3 3.44Å
208	G	97.2	Very high	97.8	Very high	27 Å²	27	57.9 Å²	57.9	28%	0.278	30%	0.295	S	S	.	.			trans	168.8	-42.2	171.3	0	0	0	0	0	114	R235	G208-R235 PolarHBondContact O-NH2 3.22Å
209	H	98.6	Very high	97.9	Very high	11 Å²	11	49.9 Å²	49.9	5%	0.051	27%	0.266	C	S	.	.			trans	-62.8	150.3	176.3	-79.9	-62.9	0	0	0	112.2	V213 S227 S229 D231 T233 R235	H209-V213 HydrophobicContact CB-CG2 4.18Å; H209-S227 PolarHBondContact NE2-OG 2.96Å; H209-S229 WeakPolarHBondContact CE1-CB 3.49Å; H209-S229 WeakPolarHBondContact ND1-CB 3.47Å; H209-D231 WeakPolarHBondContact CA-OD2 3.48Å; H209-D231 WeakPolarHBondContact CB-OD2 3.23Å; H209-D231 IonicContact CG-OD2 3.14Å; H209-D231 IonicContact ND1-OD1 3.58Å; H209-D231 PolarHBondContact ND1-OD1 3.24Å; H209-D231 IonicContact ND1-OD2 3.83Å; H209-D231 PolarHBondContact ND1-OD2 3.2Å; H209-T233 PolarHBondContact CE1-OG1 3.29Å; H209-T233 VanDerWaalsContact CE1-OG1 3.31Å; H209-T233 PolarHBondContact ND1-OG1 3.08Å; H209-R235 VanDerWaalsContact CE1-CD 3.49Å; H209-R235 WeakPolarHBondContact CE1-CD 3.17Å
210	T	98.4	Very high	97.9	Very high	97 Å²	97	53.9 Å²	53.9	60%	0.595	27%	0.273	S	S	*	.	S	Bend	trans	-107.4	-3	-178.9	51.8	0	0	0	0	113	K190 D231	K190-T210 VanDerWaalsContact CD-O 3.31Å; K190-T210 WeakPolarHBondContact CD-O 3.12Å; K190-T210 WeakPolarHBondContact CE-O 3.34Å; K190-T210 PolarHBondContact NZ-O 3.37Å; T210-D231 PolarHBondContact N-OD2 3.41Å; T210-D231 WeakPolarHBondContact OG1-CB 3.42Å; T210-D231 PolarHBondContact OG1-OD2 2.75Å
211	D	98.5	Very high	97.9	Very high	70 Å²	70	55.2 Å²	55.2	37%	0.374	28%	0.277	S	S	.	.	S	Bend	trans	-147.7	-177.3	177.8	-150.9	-18	0	0	0	111.9	S229 D231	D211-S229 PolarHBondContact O-OG 2.84Å; D211-S229 VanDerWaalsContact O-OG 3.08Å; D211-D231 HydrophobicContact CB-CB 3.84Å
212	N	98.4	Very high	97.9	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.07	26%	0.263	C	S	.	.			trans	-60.4	130.2	-177.2	-174.9	16.2	0	0	0	113	Y172 S187 T188 S229 S230	Y172-N212 WeakPolarHBondContact CD2-ND2 3.39Å; Y172-N212 VanDerWaalsContact CG-ND2 3.28Å; S187-N212 PolarHBondContact O-OD1 2.93Å; T188-N212 HydrophobicContact CG2-CB 4.03Å; T188-N212 PolarHBondContact N-OD1 2.93Å; N212-S229 WeakPolarHBondContact O-CA 3.47Å; N212-S229 PolarHBondContact O-OG 3.48Å; N212-S230 PolarHBondContact O-N 3.01Å; N212-S230 PolarHBondContact O-OG 3Å
213	V	98.7	Very high	97.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.3	179.7	-176.4	0	0	0	0	110.2	S173 G186 S187 L192 H209 L216	S173-V213 PolarHBondContact OG-O 3.08Å; G186-V213 CarbonylContact C-O 3.52Å; S187-V213 PolarHBondContact O-N 2.98Å; L192-V213 HydrophobicContact CD1-CG1 4.49Å; L192-V213 HydrophobicContact CD1-CG2 3.9Å; H209-V213 HydrophobicContact CB-CG2 4.18Å; V213-L216 HydrophobicContact CG1-CD2 4.01Å; V213-L216 HydrophobicContact CG1-CG 4.15Å
214	K	98.7	Very high	98	Very high	66 Å²	66	50 Å²	50	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-12.4	-173.2	-72	-171.5	67	-162.3	0	114.5	S173 G228 W256	S173-K214 WeakPolarHBondContact CB-O 3.5Å; K214-G228 PolarHBondContact N-O 3.18Å; K214-W256 HydrophobicContact CD-CG 4.14Å
215	A	98.8	Very high	98	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.7	173.6	0	0	0	0	0	110.9	S227 G228 L258	A215-S227 CarbonylContact O-C 3.56Å; A215-S227 WeakPolarHBondContact O-CA 3.22Å; A215-G228 PolarHBondContact N-O 2.82Å; A215-G228 VanDerWaalsContact N-O 3.14Å; A215-G228 PolarHBondContact O-N 2.77Å; A215-L258 HydrophobicContact CB-CB 4.05Å; A215-L258 HydrophobicContact CB-CD1 3.93Å; A215-L258 HydrophobicContact CB-CG 3.68Å
216	L	98.8	Very high	98.1	Very high	15 Å²	15	43.4 Å²	43.4	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.7	174.3	-74.5	172.8	0	0	0	109.7	A175 V184 G186 L192 V213 L226	A175-L216 HydrophobicContact CB-CB 3.59Å; V184-L216 HydrophobicContact CB-CD1 4.32Å; V184-L216 HydrophobicContact CG1-CD1 3.95Å; V184-L216 HydrophobicContact CG1-CD2 4.17Å; V184-L216 WeakPolarHBondContact O-CD1 3.48Å; G186-L216 VanDerWaalsContact N-CD1 3.32Å; L192-L216 HydrophobicContact CD2-CD2 3.52Å; L192-L216 HydrophobicContact CG-CD2 4.1Å; V213-L216 HydrophobicContact CG1-CD2 4.01Å; V213-L216 HydrophobicContact CG1-CG 4.15Å; L216-L226 WeakPolarHBondContact CA-O 3.49Å
217	L	98.7	Very high	98.1	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.141	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.4	170.3	-60.9	172.8	0	0	0	109.3	C225 L226 L258 V260	L217-C225 CarbonylContact O-C 3.44Å; L217-C225 WeakPolarHBondContact O-CA 3.15Å; L217-C225 PolarHBondContact O-SG 3.42Å; L217-L226 HydrophobicContact CB-CB 4.29Å; L217-L226 PolarHBondContact N-O 3.17Å; L217-L226 PolarHBondContact O-N 2.97Å; L217-L258 HydrophobicContact CD1-CB 3.6Å; L217-L258 HydrophobicContact CG-CB 4.06Å; L217-V260 HydrophobicContact CD1-CB 3.99Å; L217-V260 HydrophobicContact CD1-CG1 4.1Å
218	L	98.6	Very high	98.2	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.12	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.3	173.4	-75.6	163.7	0	0	0	108.9	A175 N177 I182 V184 C225 L239	A175-L218 HydrophobicContact CB-CD1 4.12Å; A175-L218 HydrophobicContact CB-CG 4.28Å; N177-L218 HydrophobicContact CB-CB 4.11Å; N177-L218 HydrophobicContact CB-CD1 4.28Å; I182-L218 HydrophobicContact CG2-CD1 4.21Å; I182-L218 HydrophobicContact CG2-CD2 4.33Å; V184-L218 HydrophobicContact CG2-CD1 4.06Å; V184-L218 HydrophobicContact CG2-CD2 3.97Å; V184-L218 HydrophobicContact CG2-CG 4.38Å; L218-C225 HydrophobicContact CD2-CB 3.71Å; L218-L239 HydrophobicContact CD2-CD1 3.87Å
219	N	98	Very high	98.3	Very high	16 Å²	16	34.1 Å²	34.1	9%	0.086	17%	0.173	C	C	.	.			trans	-73	167.4	166.4	64.8	-8.5	0	0	0	110.9	N177 D221 G222 T223 Q224 F264	N177-N219 WeakPolarHBondContact CB-O 3.46Å; N219-D221 PolarHBondContact ND2-OD1 2.83Å; N219-D221 PolarHBondContact O-N 3.31Å; N219-D221 PolarHBondContact OD1-OD1 3.24Å; N219-G222 PolarHBondContact O-N 2.92Å; N219-G222 VanDerWaalsContact O-N 3.1Å; N219-G222 WeakPolarHBondContact OD1-CA 3.44Å; N219-G222 PolarHBondContact OD1-N 3.05Å; N219-G222 VanDerWaalsContact OD1-N 3.1Å; N219-T223 PolarHBondContact ND2-OG1 3.22Å; N219-T223 PolarHBondContact OD1-N 3.31Å; N219-Q224 PolarHBondContact N-O 3.08Å; N219-Q224 PolarHBondContact ND2-N 3.06Å; N219-Q224 PolarHBondContact OD1-N 2.79Å; N219-Q224 PolarHBondContact OD1-O 3.1Å; N219-Q224 VanDerWaalsContact OD1-O 3.06Å; N219-F264 HydrophobicContact CB-CB 4.29Å; N219-F264 HydrophobicContact CB-CD1 4.05Å; N219-F264 HydrophobicContact CB-CD2 3.64Å; N219-F264 HydrophobicContact CB-CE1 4.25Å; N219-F264 HydrophobicContact CB-CE2 3.86Å; N219-F264 HydrophobicContact CB-CG 3.74Å; N219-F264 HydrophobicContact CB-CZ 4.15Å
220	R	96.9	Very high	98.3	Very high	159 Å²	159	35.1 Å²	35.1	60%	0.6	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-44.9	-172.2	-177.1	173	179.3	-118.2	-5.3	113.5	N177 Q178 G222	N177-R220 PolarHBondContact ND2-O 2.79Å; Q178-R220 HydrophobicContact CB-CG 4.08Å; R220-G222 VanDerWaalsContact C-N 3.35Å
221	D	95.6	Very high	98.3	Very high	78 Å²	78	32.2 Å²	32.2	42%	0.417	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.6	-179.4	60.9	-21.8	0	0	0	113.5	N219 T223	N219-D221 PolarHBondContact ND2-OD1 2.83Å; N219-D221 PolarHBondContact O-N 3.31Å; N219-D221 PolarHBondContact OD1-OD1 3.24Å; D221-T223 HydrophobicContact CB-CG2 4.26Å; D221-T223 PolarHBondContact OD1-OG1 3.37Å; D221-T223 VanDerWaalsContact OD1-OG1 3.12Å; D221-T223 WeakPolarHBondContact OD2-CB 3.42Å; D221-T223 WeakPolarHBondContact OD2-CG2 3.49Å; D221-T223 PolarHBondContact OD2-OG1 3.14Å
222	G	96.8	Very high	98.2	Very high	7 Å²	7	29.2 Å²	29.2	7%	0.072	15%	0.148	C	C	.	.	S	Bend	trans	70	34	-178.6	0	0	0	0	0	112.7	N219 R220 L239	N219-G222 PolarHBondContact O-N 2.92Å; N219-G222 VanDerWaalsContact O-N 3.1Å; N219-G222 WeakPolarHBondContact OD1-CA 3.44Å; N219-G222 PolarHBondContact OD1-N 3.05Å; N219-G222 VanDerWaalsContact OD1-N 3.1Å; R220-G222 VanDerWaalsContact C-N 3.35Å; G222-L239 WeakPolarHBondContact O-CD1 3.12Å
223	T	98	Very high	98.2	Very high	60 Å²	60	29 Å²	29	37%	0.368	15%	0.147	S	C	.	.	S	Bend	trans	-97.3	-23	175.5	58	0	0	0	0	112.9	N219 D221 L239	N219-T223 PolarHBondContact ND2-OG1 3.22Å; N219-T223 PolarHBondContact OD1-N 3.31Å; D221-T223 HydrophobicContact CB-CG2 4.26Å; D221-T223 PolarHBondContact OD1-OG1 3.37Å; D221-T223 VanDerWaalsContact OD1-OG1 3.12Å; D221-T223 WeakPolarHBondContact OD2-CB 3.42Å; D221-T223 WeakPolarHBondContact OD2-CG2 3.49Å; D221-T223 PolarHBondContact OD2-OG1 3.14Å; T223-L239 WeakPolarHBondContact O-CB 3.45Å; T223-L239 PolarHBondContact O-N 2.94Å
224	Q	98.3	Very high	98.2	Very high	66 Å²	66	29 Å²	29	31%	0.308	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.6	178.7	-56.8	-176.7	42.1	0	0	111.5	N219 L236 W237 F264	N219-Q224 PolarHBondContact N-O 3.08Å; N219-Q224 PolarHBondContact ND2-N 3.06Å; N219-Q224 PolarHBondContact OD1-N 2.79Å; N219-Q224 PolarHBondContact OD1-O 3.1Å; N219-Q224 VanDerWaalsContact OD1-O 3.06Å; Q224-L236 HydrophobicContact CB-CD1 4.33Å; Q224-W237 VanDerWaalsContact CA-O 3.22Å; Q224-W237 WeakPolarHBondContact CA-O 3.46Å; Q224-F264 HydrophobicContact CB-CD1 4.42Å; Q224-F264 HydrophobicContact CB-CE1 3.77Å; Q224-F264 HydrophobicContact CB-CZ 4.41Å
225	C	98.7	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.7	177	-178.9	0	0	0	0	110.2	L217 L218 L236 W237 L239	L217-C225 CarbonylContact O-C 3.44Å; L217-C225 WeakPolarHBondContact O-CA 3.15Å; L217-C225 PolarHBondContact O-SG 3.42Å; L218-C225 HydrophobicContact CD2-CB 3.71Å; C225-L236 CarbonylContact O-C 3.54Å; C225-L236 WeakPolarHBondContact O-CA 3.33Å; C225-W237 HydrophobicContact CB-CB 4.21Å; C225-W237 PolarHBondContact N-O 2.93Å; C225-W237 PolarHBondContact O-N 3.31Å; C225-L239 HydrophobicContact CB-CD2 4.17Å
226	L	98.8	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.4	166.9	-77	164.2	0	0	0	109.3	L216 L217 I234 R235 L236 L258 V260 F264 V267 L281	L216-L226 WeakPolarHBondContact CA-O 3.49Å; L217-L226 HydrophobicContact CB-CB 4.29Å; L217-L226 PolarHBondContact N-O 3.17Å; L217-L226 PolarHBondContact O-N 2.97Å; L226-I234 HydrophobicContact CD2-CG2 4.24Å; L226-R235 CarbonylContact C-O 3.59Å; L226-R235 VanDerWaalsContact CA-O 3.31Å; L226-R235 WeakPolarHBondContact CA-O 3.42Å; L226-L236 HydrophobicContact CD2-CB 3.97Å; L226-L236 HydrophobicContact CD2-CD1 3.73Å; L226-L236 HydrophobicContact CD2-CG 4.42Å; L226-L236 HydrophobicContact CG-CD1 3.94Å; L226-L258 HydrophobicContact CB-CD1 4.45Å; L226-V260 HydrophobicContact CD1-CB 4.49Å; L226-V260 HydrophobicContact CD1-CG2 4.11Å; L226-F264 HydrophobicContact CB-CZ 4.31Å; L226-F264 HydrophobicContact CD1-CE1 4.05Å; L226-F264 HydrophobicContact CD1-CE2 3.94Å; L226-F264 HydrophobicContact CD1-CZ 3.6Å; L226-F264 HydrophobicContact CG-CE1 4.08Å; L226-F264 HydrophobicContact CG-CE2 4.43Å; L226-F264 HydrophobicContact CG-CZ 3.66Å; L226-V267 HydrophobicContact CD1-CB 4.19Å; L226-V267 HydrophobicContact CD1-CG2 4.08Å; L226-L281 HydrophobicContact CD1-CD1 3.94Å; L226-L281 HydrophobicContact CD2-CD1 4.34Å; L226-L281 HydrophobicContact CD2-CD2 3.8Å
227	S	98.8	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.2	177.6	62.8	0	0	0	0	112.6	H209 A215 I234 R235 W237	H209-S227 PolarHBondContact NE2-OG 2.96Å; A215-S227 CarbonylContact O-C 3.56Å; A215-S227 WeakPolarHBondContact O-CA 3.22Å; S227-I234 CarbonylContact O-C 3.55Å; S227-I234 VanDerWaalsContact O-CA 3.27Å; S227-I234 WeakPolarHBondContact O-CA 3.2Å; S227-R235 PolarHBondContact N-O 3.42Å; S227-R235 PolarHBondContact O-N 3.01Å; S227-W237 PolarHBondContact OG-NE1 2.88Å
228	G	98.7	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.8	176.4	0	0	0	0	0	110.1	K214 A215 V255	K214-G228 PolarHBondContact N-O 3.18Å; A215-G228 PolarHBondContact N-O 2.82Å; A215-G228 VanDerWaalsContact N-O 3.14Å; A215-G228 PolarHBondContact O-N 2.77Å; G228-V255 CarbonylContact C-O 3.59Å
229	S	98.8	Very high	98.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.9	-173.6	176.9	0	0	0	0	112.7	H209 D211 N212 D231 G232 T233 V255	H209-S229 WeakPolarHBondContact CE1-CB 3.49Å; H209-S229 WeakPolarHBondContact ND1-CB 3.47Å; D211-S229 PolarHBondContact O-OG 2.84Å; D211-S229 VanDerWaalsContact O-OG 3.08Å; N212-S229 WeakPolarHBondContact O-CA 3.47Å; N212-S229 PolarHBondContact O-OG 3.48Å; S229-D231 VanDerWaalsContact CB-OD1 3.3Å; S229-D231 WeakPolarHBondContact CB-OD1 3.39Å; S229-D231 PolarHBondContact O-N 2.97Å; S229-D231 VanDerWaalsContact OG-CG 3.28Å; S229-D231 PolarHBondContact OG-N 2.8Å; S229-D231 PolarHBondContact OG-OD1 2.84Å; S229-D231 PolarHBondContact OG-OD2 3.46Å; S229-G232 PolarHBondContact O-N 2.77Å; S229-G232 VanDerWaalsContact O-N 3.17Å; S229-T233 PolarHBondContact N-O 3.31Å; S229-V255 CarbonylContact C-O 3.24Å; S229-V255 PolarHBondContact O-N 3.1Å
230	S	98.6	Very high	98.2	Very high	32 Å²	32	28.5 Å²	28.5	22%	0.224	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.3	173.2	-53.3	0	0	0	0	112.7	N212 G232 G254	N212-S230 PolarHBondContact O-N 3.01Å; N212-S230 PolarHBondContact O-OG 3Å; S230-G232 PolarHBondContact O-N 2.84Å; S230-G254 WeakPolarHBondContact O-CA 3.27Å
231	D	98.4	Very high	98.2	Very high	35 Å²	35	26.1 Å²	26.1	19%	0.187	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	2	171.1	65.1	24.9	0	0	0	114.6	H209 T210 D211 S229 T233	H209-D231 WeakPolarHBondContact CA-OD2 3.48Å; H209-D231 WeakPolarHBondContact CB-OD2 3.23Å; H209-D231 IonicContact CG-OD2 3.14Å; H209-D231 IonicContact ND1-OD1 3.58Å; H209-D231 PolarHBondContact ND1-OD1 3.24Å; H209-D231 IonicContact ND1-OD2 3.83Å; H209-D231 PolarHBondContact ND1-OD2 3.2Å; T210-D231 PolarHBondContact N-OD2 3.41Å; T210-D231 WeakPolarHBondContact OG1-CB 3.42Å; T210-D231 PolarHBondContact OG1-OD2 2.75Å; D211-D231 HydrophobicContact CB-CB 3.84Å; S229-D231 VanDerWaalsContact CB-OD1 3.3Å; S229-D231 WeakPolarHBondContact CB-OD1 3.39Å; S229-D231 PolarHBondContact O-N 2.97Å; S229-D231 VanDerWaalsContact OG-CG 3.28Å; S229-D231 PolarHBondContact OG-N 2.8Å; S229-D231 PolarHBondContact OG-OD1 2.84Å; S229-D231 PolarHBondContact OG-OD2 3.46Å; D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 2.74Å; D231-T233 WeakPolarHBondContact OD1-CA 3.46Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.25Å; D231-T233 PolarHBondContact OD1-N 2.9Å; D231-T233 PolarHBondContact OD1-OG1 2.92Å
232	G	97.9	Very high	98.3	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	17%	0.165	C	C	.	.	S	Bend	trans	80.5	0.4	179.8	0	0	0	0	0	114.5	S229 S230 E253	S229-G232 PolarHBondContact O-N 2.77Å; S229-G232 VanDerWaalsContact O-N 3.17Å; S230-G232 PolarHBondContact O-N 2.84Å; G232-E253 WeakPolarHBondContact CA-O 3.47Å
233	T	98.6	Very high	98.4	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.049	19%	0.188	C	C	.	.			trans	-101.1	147.1	-177.9	74.1	0	0	0	0	113.1	H209 S229 D231 T247 Y248 R249	H209-T233 PolarHBondContact CE1-OG1 3.29Å; H209-T233 VanDerWaalsContact CE1-OG1 3.31Å; H209-T233 PolarHBondContact ND1-OG1 3.08Å; S229-T233 PolarHBondContact N-O 3.31Å; D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 2.74Å; D231-T233 WeakPolarHBondContact OD1-CA 3.46Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.25Å; D231-T233 PolarHBondContact OD1-N 2.9Å; D231-T233 PolarHBondContact OD1-OG1 2.92Å; T233-T247 HydrophobicContact CG2-CG2 4.08Å; T233-Y248 WeakPolarHBondContact CA-O 3.38Å; T233-R249 HydrophobicContact CG2-CG 4.05Å
234	I	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.1	164.2	-53.8	165.8	0	0	0	107.1	L226 S227 T247 Y248 V255 L258 V267 S269	L226-I234 HydrophobicContact CD2-CG2 4.24Å; S227-I234 CarbonylContact O-C 3.55Å; S227-I234 VanDerWaalsContact O-CA 3.27Å; S227-I234 WeakPolarHBondContact O-CA 3.2Å; I234-T247 CarbonylContact O-C 3.6Å; I234-T247 WeakPolarHBondContact O-CA 3.38Å; I234-Y248 HydrophobicContact CB-CD2 4.13Å; I234-Y248 HydrophobicContact CG2-CD2 4.12Å; I234-Y248 PolarHBondContact N-O 3.1Å; I234-Y248 WeakPolarHBondContact O-CD2 3.4Å; I234-Y248 PolarHBondContact O-N 3.13Å; I234-V255 HydrophobicContact CG1-CG1 4.17Å; I234-V255 HydrophobicContact CG1-CG2 4.21Å; I234-L258 HydrophobicContact CD1-CD2 4.08Å; I234-L258 HydrophobicContact CG1-CD2 4.16Å; I234-L258 HydrophobicContact CG2-CD1 4.34Å; I234-L258 HydrophobicContact CG2-CD2 4.3Å; I234-V267 HydrophobicContact CG2-CG2 4.5Å; I234-S269 WeakPolarHBondContact CD1-OG 3.43Å
235	R	98.7	Very high	98.3	Very high	33 Å²	33	33.8 Å²	33.8	13%	0.125	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.1	179.3	-69.7	-178.4	179.2	-115.4	-0.2	111.3	G208 H209 L226 S227 W237 A246 T247	G208-R235 PolarHBondContact O-NH2 3.22Å; H209-R235 VanDerWaalsContact CE1-CD 3.49Å; H209-R235 WeakPolarHBondContact CE1-CD 3.17Å; L226-R235 CarbonylContact C-O 3.59Å; L226-R235 VanDerWaalsContact CA-O 3.31Å; L226-R235 WeakPolarHBondContact CA-O 3.42Å; S227-R235 PolarHBondContact N-O 3.42Å; S227-R235 PolarHBondContact O-N 3.01Å; R235-W237 HydrophobicContact CB-CZ2 3.95Å; R235-W237 VanDerWaalsContact CD-CZ2 3.45Å; R235-W237 HydrophobicContact CG-CZ2 4.36Å; R235-A246 WeakPolarHBondContact CA-O 3.49Å; R235-T247 HydrophobicContact CG-CG2 4.18Å
236	L	98.7	Very high	98.3	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.7	168.5	-178.9	65	0	0	0	108.9	Q224 C225 L226 I245 A246 Y248 F264	Q224-L236 HydrophobicContact CB-CD1 4.33Å; C225-L236 CarbonylContact O-C 3.54Å; C225-L236 WeakPolarHBondContact O-CA 3.33Å; L226-L236 HydrophobicContact CD2-CB 3.97Å; L226-L236 HydrophobicContact CD2-CD1 3.73Å; L226-L236 HydrophobicContact CD2-CG 4.42Å; L226-L236 HydrophobicContact CG-CD1 3.94Å; L236-I245 HydrophobicContact CB-CG1 4.05Å; L236-I245 HydrophobicContact CD2-CD1 3.56Å; L236-I245 HydrophobicContact CD2-CG1 3.83Å; L236-I245 HydrophobicContact CG-CD1 3.66Å; L236-I245 HydrophobicContact CG-CG1 3.61Å; L236-I245 WeakPolarHBondContact O-CG1 3.46Å; L236-I245 PolarHBondContact O-N 3.04Å; L236-A246 HydrophobicContact CB-CB 4.22Å; L236-A246 PolarHBondContact N-O 2.88Å; L236-A246 PolarHBondContact O-N 3.42Å; L236-Y248 HydrophobicContact CB-CE2 4.03Å; L236-F264 HydrophobicContact CD1-CE1 3.77Å
237	W	98.7	Very high	98.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	-176.3	-54.3	88.1	0	0	0	110.4	L192 L206 K207 Q224 C225 S227 R235 C244	L192-W237 HydrophobicContact CD1-CZ2 4.19Å; L206-W237 HydrophobicContact CB-CD2 4.19Å; L206-W237 HydrophobicContact CB-CE3 3.65Å; L206-W237 HydrophobicContact CB-CH2 4.09Å; L206-W237 HydrophobicContact CB-CZ3 3.6Å; L206-W237 HydrophobicContact CD1-CB 4.06Å; L206-W237 HydrophobicContact CD1-CD2 3.96Å; L206-W237 HydrophobicContact CD1-CE3 3.97Å; L206-W237 HydrophobicContact CD1-CG 4Å; L206-W237 HydrophobicContact CD2-CE3 4.21Å; L206-W237 HydrophobicContact CG-CE3 4.16Å; K207-W237 WeakPolarHBondContact O-CH2 3.08Å; K207-W237 WeakPolarHBondContact O-CZ3 3.44Å; Q224-W237 VanDerWaalsContact CA-O 3.22Å; Q224-W237 WeakPolarHBondContact CA-O 3.46Å; C225-W237 HydrophobicContact CB-CB 4.21Å; C225-W237 PolarHBondContact N-O 2.93Å; C225-W237 PolarHBondContact O-N 3.31Å; S227-W237 PolarHBondContact OG-NE1 2.88Å; R235-W237 HydrophobicContact CB-CZ2 3.95Å; R235-W237 VanDerWaalsContact CD-CZ2 3.45Å; R235-W237 HydrophobicContact CG-CZ2 4.36Å; W237-C244 HydrophobicContact CD2-CB 4.21Å; W237-C244 VanDerWaalsContact CE3-CA 3.47Å; W237-C244 HydrophobicContact CE3-CB 3.62Å; W237-C244 VanDerWaalsContact CE3-N 3.3Å; W237-C244 HydrophobicContact CH2-CB 4.01Å; W237-C244 HydrophobicContact CZ3-CB 3.5Å
238	S	98.5	Very high	98.2	Very high	19 Å²	19	37.9 Å²	37.9	13%	0.133	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.1	163.8	175.8	0	0	0	0	108.3	Q241 Q242 R243	S238-Q241 WeakPolarHBondContact OG-CG 3.31Å; S238-Q241 PolarHBondContact OG-N 3.19Å; S238-Q242 WeakPolarHBondContact O-CA 3.47Å; S238-Q242 PolarHBondContact O-N 3.15Å; S238-R243 PolarHBondContact N-O 2.91Å; S238-R243 PolarHBondContact O-N 2.88Å
239	L	98.1	Very high	98.1	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.042	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-34.3	-179.9	-58.9	-173.9	0	0	0	111.2	I182 M204 L206 L218 G222 T223 C225 Q241 Q242	I182-L239 HydrophobicContact CG2-CD1 3.89Å; M204-L239 HydrophobicContact CE-CB 4.32Å; M204-L239 VanDerWaalsContact CE-O 3.28Å; M204-L239 WeakPolarHBondContact CE-O 3.36Å; M204-L239 HydrophobicContact SD-CB 4.32Å; M204-L239 HydrophobicContact SD-CD2 4.12Å; L206-L239 HydrophobicContact CD1-CD2 3.68Å; L218-L239 HydrophobicContact CD2-CD1 3.87Å; G222-L239 WeakPolarHBondContact O-CD1 3.12Å; T223-L239 WeakPolarHBondContact O-CB 3.45Å; T223-L239 PolarHBondContact O-N 2.94Å; C225-L239 HydrophobicContact CB-CD2 4.17Å; L239-Q241 PolarHBondContact O-N 3.23Å; L239-Q242 WeakPolarHBondContact O-CG 3.47Å; L239-Q242 PolarHBondContact O-N 3.48Å
240	G	97.2	Very high	98	Very high	71 Å²	71	47 Å²	47	73%	0.732	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-39.7	173.3	0	0	0	0	0	113.3
241	Q	97.5	Very high	97.9	Very high	109 Å²	109	46.1 Å²	46.1	51%	0.509	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5	176.9	-59.5	176.4	22.1	0	0	113.4	S238 L239 R243	S238-Q241 WeakPolarHBondContact OG-CG 3.31Å; S238-Q241 PolarHBondContact OG-N 3.19Å; L239-Q241 PolarHBondContact O-N 3.23Å; Q241-R243 HydrophobicContact CB-CG 3.91Å; Q241-R243 PolarHBondContact O-N 2.79Å; Q241-R243 VanDerWaalsContact OE1-CZ 3.26Å
242	Q	97.7	Very high	97.7	Very high	120 Å²	120	50.3 Å²	50.3	56%	0.561	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.4	-178.6	-49.3	-175.6	13	0	0	114.1	M204 S238 L239	M204-Q242 HydrophobicContact CB-CG 4.42Å; M204-Q242 HydrophobicContact CE-CG 4.09Å; M204-Q242 HydrophobicContact SD-CB 4.19Å; M204-Q242 HydrophobicContact SD-CG 3.83Å; S238-Q242 WeakPolarHBondContact O-CA 3.47Å; S238-Q242 PolarHBondContact O-N 3.15Å; L239-Q242 WeakPolarHBondContact O-CG 3.47Å; L239-Q242 PolarHBondContact O-N 3.48Å
243	R	97.9	Very high	97.7	Very high	146 Å²	146	54 Å²	54	55%	0.551	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143	159.4	-176.8	71.2	178.8	-177.3	134.8	0.6	113.2	S238 Q241 I245	S238-R243 PolarHBondContact N-O 2.91Å; S238-R243 PolarHBondContact O-N 2.88Å; Q241-R243 HydrophobicContact CB-CG 3.91Å; Q241-R243 PolarHBondContact O-N 2.79Å; Q241-R243 VanDerWaalsContact OE1-CZ 3.26Å; R243-I245 HydrophobicContact CG-CG2 4.39Å
244	C	98.3	Very high	97.7	Very high	33 Å²	33	53.9 Å²	53.9	22%	0.223	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129	167.8	-173.5	0	0	0	0	108.7	W237 A246	W237-C244 HydrophobicContact CD2-CB 4.21Å; W237-C244 VanDerWaalsContact CE3-CA 3.47Å; W237-C244 HydrophobicContact CE3-CB 3.62Å; W237-C244 VanDerWaalsContact CE3-N 3.3Å; W237-C244 HydrophobicContact CH2-CB 4.01Å; W237-C244 HydrophobicContact CZ3-CB 3.5Å; C244-A246 PolarHBondContact SG-O 2.79Å
245	I	97.7	Very high	97.7	Very high	73 Å²	73	53.9 Å²	53.9	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-25.1	178.7	58.1	171.4	0	0	0	112.6	L236 R243	L236-I245 HydrophobicContact CB-CG1 4.05Å; L236-I245 HydrophobicContact CD2-CD1 3.56Å; L236-I245 HydrophobicContact CD2-CG1 3.83Å; L236-I245 HydrophobicContact CG-CD1 3.66Å; L236-I245 HydrophobicContact CG-CG1 3.61Å; L236-I245 WeakPolarHBondContact O-CG1 3.46Å; L236-I245 PolarHBondContact O-N 3.04Å; R243-I245 HydrophobicContact CG-CG2 4.39Å
246	A	98.1	Very high	97.7	Very high	28 Å²	28	54.2 Å²	54.2	23%	0.231	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	151	174.1	0	0	0	0	0	111.7	R235 L236 C244 Y248	R235-A246 WeakPolarHBondContact CA-O 3.49Å; L236-A246 HydrophobicContact CB-CB 4.22Å; L236-A246 PolarHBondContact N-O 2.88Å; L236-A246 PolarHBondContact O-N 3.42Å; C244-A246 PolarHBondContact SG-O 2.79Å; A246-Y248 HydrophobicContact CB-CE1 3.98Å; A246-Y248 HydrophobicContact CB-CE2 4.06Å; A246-Y248 WeakPolarHBondContact CB-OH 3.44Å
247	T	98.3	Very high	97.7	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.288	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.1	175.4	-60.4	0	0	0	0	109.2	T233 I234 R235	T233-T247 HydrophobicContact CG2-CG2 4.08Å; I234-T247 CarbonylContact O-C 3.6Å; I234-T247 WeakPolarHBondContact O-CA 3.38Å; R235-T247 HydrophobicContact CG-CG2 4.18Å
248	Y	97.7	Very high	97.7	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.7	-178	-43.8	-76.5	0	0	0	110.1	T233 I234 L236 A246 L281 P284	T233-Y248 WeakPolarHBondContact CA-O 3.38Å; I234-Y248 HydrophobicContact CB-CD2 4.13Å; I234-Y248 HydrophobicContact CG2-CD2 4.12Å; I234-Y248 PolarHBondContact N-O 3.1Å; I234-Y248 WeakPolarHBondContact O-CD2 3.4Å; I234-Y248 PolarHBondContact O-N 3.13Å; L236-Y248 HydrophobicContact CB-CE2 4.03Å; A246-Y248 HydrophobicContact CB-CE1 3.98Å; A246-Y248 HydrophobicContact CB-CE2 4.06Å; A246-Y248 WeakPolarHBondContact CB-OH 3.44Å; Y248-L281 HydrophobicContact CD2-CD2 4.28Å; Y248-L281 HydrophobicContact CE2-CD2 3.47Å; Y248-L281 VanDerWaalsContact CE2-CD2 3.47Å; Y248-L281 PolarHBondContact OH-O 3.36Å; Y248-P284 HydrophobicContact CD1-CB 3.69Å; Y248-P284 HydrophobicContact CD1-CG 4.39Å; Y248-P284 HydrophobicContact CE1-CB 3.98Å; Y248-P284 HydrophobicContact CE1-CG 4.42Å
249	R	96.8	Very high	97.7	Very high	179 Å²	179	53.2 Å²	53.2	68%	0.675	27%	0.271	S	S	*	.			trans	-115.2	82.4	177.9	-72.3	179.3	178.8	79.9	-1.3	108.8	T233	T233-R249 HydrophobicContact CG2-CG 4.05Å
250	V	94.7	Very high	97.7	Very high	12 Å²	12	53.4 Å²	53.4	7%	0.073	27%	0.273	C	S	.	.			trans	-103.7	-24.7	-174.2	-165	0	0	0	0	111.7	Y277 T279	V250-Y277 HydrophobicContact CG1-CD1 3.96Å; V250-Y277 HydrophobicContact CG1-CD2 3.61Å; V250-Y277 HydrophobicContact CG1-CE1 4.42Å; V250-Y277 HydrophobicContact CG1-CE2 4.1Å; V250-Y277 HydrophobicContact CG1-CG 3.52Å; V250-T279 HydrophobicContact CG2-CG2 4.42Å
251	H	96.8	Very high	97.7	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.065	24%	0.241	C	C	.	.			trans	-108.8	147.6	-176	-70.4	-89.6	0	0	0	111.4	E253 V255 S269 D273 K275 Y277	H251-E253 WeakPolarHBondContact CB-O 3.44Å; H251-V255 HydrophobicContact CB-CG2 3.88Å; H251-S269 VanDerWaalsContact NE2-CB 3.34Å; H251-S269 WeakPolarHBondContact NE2-CB 3.23Å; H251-S269 PolarHBondContact NE2-O 2.8Å; H251-S269 PolarHBondContact NE2-OG 3.25Å; H251-D273 WeakPolarHBondContact CA-OD2 3.17Å; H251-D273 VanDerWaalsContact CB-OD2 3.25Å; H251-D273 WeakPolarHBondContact CB-OD2 3.46Å; H251-D273 IonicContact CE1-OD1 3.83Å; H251-D273 IonicContact CG-OD2 2.7Å; H251-D273 VanDerWaalsContact ND1-CG 3.27Å; H251-D273 IonicContact ND1-OD1 3.41Å; H251-D273 PolarHBondContact ND1-OD1 2.82Å; H251-D273 IonicContact ND1-OD2 3.4Å; H251-D273 PolarHBondContact ND1-OD2 2.78Å; H251-K275 PolarHBondContact CE1-O 3.08Å; H251-K275 VanDerWaalsContact CE1-O 3.29Å; H251-Y277 AromaticContact CE1-CD2 3.65Å; H251-Y277 AromaticContact NE2-CD2 3.83Å
252	D	95.1	Very high	97.6	Very high	123 Å²	123	50.3 Å²	50.3	66%	0.658	24%	0.243	S	C	*	.	S	Bend	trans	-81	-23.1	177.3	-58.9	-49.7	0	0	0	111.6	D273 K275	D252-D273 PolarHBondContact N-OD2 2.93Å; D252-K275 IonicContact OD2-NZ 3.47Å; D252-K275 PolarHBondContact OD2-NZ 3.38Å
253	E	98.1	Very high	97.5	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	24%	0.241	S	C	.	.	S	Bend	trans	-130.6	-177.9	179.5	-61.4	-171.2	-119	0	0	111.3	G232 H251 R272 D273	G232-E253 WeakPolarHBondContact CA-O 3.47Å; H251-E253 WeakPolarHBondContact CB-O 3.44Å; E253-R272 HydrophobicContact CB-CB 3.81Å; E253-R272 HydrophobicContact CB-CG 4.28Å; E253-R272 WeakPolarHBondContact OE2-CD 3.47Å; E253-R272 WeakPolarHBondContact OE2-CG 3.32Å; E253-R272 IonicContact OE2-CZ 3.56Å; E253-R272 IonicContact OE2-NE 2.89Å; E253-R272 PolarHBondContact OE2-NE 3.11Å; E253-D273 HydrophobicContact CB-CB 4.15Å; E253-D273 HydrophobicContact CG-CB 4.37Å
254	G	98.3	Very high	97.5	Very high	6 Å²	6	41.8 Å²	41.8	6%	0.062	22%	0.219	C	C	.	.			trans	-58	135.3	-175.2	0	0	0	0	0	115.4	S230 G271 R272	S230-G254 WeakPolarHBondContact O-CA 3.27Å; G254-G271 WeakPolarHBondContact O-CA 3.31Å; G254-R272 PolarHBondContact O-N 3.19Å
255	V	98.8	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.5	178	-175.1	0	0	0	0	110.1	G228 S229 I234 H251 L258	G228-V255 CarbonylContact C-O 3.59Å; S229-V255 CarbonylContact C-O 3.24Å; S229-V255 PolarHBondContact O-N 3.1Å; I234-V255 HydrophobicContact CG1-CG1 4.17Å; I234-V255 HydrophobicContact CG1-CG2 4.21Å; H251-V255 HydrophobicContact CB-CG2 3.88Å; V255-L258 HydrophobicContact CG1-CD2 3.92Å; V255-L258 HydrophobicContact CG1-CG 4.49Å
256	W	98.8	Very high	97.3	Very high	40 Å²	40	39.3 Å²	39.3	15%	0.152	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-20.5	-171.9	-59.6	-18.2	0	0	0	114.1	K214 G270 R272 P296 L298	K214-W256 HydrophobicContact CD-CG 4.14Å; W256-G270 PolarHBondContact N-O 3.49Å; W256-R272 HydrophobicContact CH2-CB 3.67Å; W256-R272 HydrophobicContact CH2-CG 3.65Å; W256-R272 HydrophobicContact CZ2-CB 3.57Å; W256-R272 HydrophobicContact CZ2-CG 3.8Å; W256-R272 HydrophobicContact CZ3-CB 4.21Å; W256-R272 HydrophobicContact CZ3-CG 4.47Å; W256-P296 HydrophobicContact CH2-CB 4.35Å; W256-P296 HydrophobicContact CZ3-CB 3.67Å; W256-L298 HydrophobicContact CE3-CD2 3.94Å; W256-L298 HydrophobicContact CZ3-CD2 4.05Å
257	A	98.8	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.3	-179.2	0	0	0	0	0	110.1	G270 V297 M300	A257-G270 PolarHBondContact N-O 3.5Å; A257-G270 PolarHBondContact O-N 3.04Å; A257-G270 VanDerWaalsContact O-N 3.1Å; A257-V297 HydrophobicContact CB-CG1 4.11Å; A257-M300 HydrophobicContact CB-CE 3.92Å; A257-M300 HydrophobicContact CB-CG 4.09Å; A257-M300 WeakPolarHBondContact O-CE 3.36Å
258	L	98.9	Very high	97.4	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.9	171.2	-64.4	177.3	0	0	0	109.8	A215 L217 L226 I234 V255 V267 Y268	A215-L258 HydrophobicContact CB-CB 4.05Å; A215-L258 HydrophobicContact CB-CD1 3.93Å; A215-L258 HydrophobicContact CB-CG 3.68Å; L217-L258 HydrophobicContact CD1-CB 3.6Å; L217-L258 HydrophobicContact CG-CB 4.06Å; L226-L258 HydrophobicContact CB-CD1 4.45Å; I234-L258 HydrophobicContact CD1-CD2 4.08Å; I234-L258 HydrophobicContact CG1-CD2 4.16Å; I234-L258 HydrophobicContact CG2-CD1 4.34Å; I234-L258 HydrophobicContact CG2-CD2 4.3Å; V255-L258 HydrophobicContact CG1-CD2 3.92Å; V255-L258 HydrophobicContact CG1-CG 4.49Å; L258-V267 HydrophobicContact CD2-CG2 3.89Å; L258-Y268 CarbonylContact C-O 3.59Å; L258-Y268 VanDerWaalsContact CA-O 3.29Å; L258-Y268 WeakPolarHBondContact CA-O 3.39Å
259	Q	98.8	Very high	97.4	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	163.2	162.4	-77.6	-70.3	-26.9	0	0	109	Y268 M300 E301 L302	Q259-Y268 HydrophobicContact CB-CD2 4.46Å; Q259-Y268 PolarHBondContact N-O 2.93Å; Q259-Y268 PolarHBondContact O-N 3.19Å; Q259-M300 HydrophobicContact CG-CB 4.07Å; Q259-M300 WeakPolarHBondContact CG-O 3.35Å; Q259-M300 PolarHBondContact NE2-O 2.83Å; Q259-E301 PolarHBondContact NE2-OE2 2.89Å; Q259-L302 HydrophobicContact CB-CD1 3.79Å; Q259-L302 HydrophobicContact CB-CG 3.8Å; Q259-L302 HydrophobicContact CG-CG 4.19Å
260	V	98.1	Very high	97.5	Very high	12 Å²	12	27 Å²	27	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.9	180	72.1	0	0	0	0	110.4	L217 L226 F264 H266 L302 R304	L217-V260 HydrophobicContact CD1-CB 3.99Å; L217-V260 HydrophobicContact CD1-CG1 4.1Å; L226-V260 HydrophobicContact CD1-CB 4.49Å; L226-V260 HydrophobicContact CD1-CG2 4.11Å; V260-F264 HydrophobicContact CB-CD2 4.33Å; V260-F264 HydrophobicContact CG1-CD2 3.8Å; V260-F264 HydrophobicContact CG1-CE2 4.06Å; V260-F264 HydrophobicContact CG2-CB 4.48Å; V260-F264 HydrophobicContact CG2-CD2 3.72Å; V260-F264 HydrophobicContact CG2-CE2 4.2Å; V260-F264 HydrophobicContact CG2-CG 4.16Å; V260-H266 WeakPolarHBondContact CA-O 3.43Å; V260-H266 VanDerWaalsContact CG2-O 3.24Å; V260-H266 WeakPolarHBondContact CG2-O 3.49Å; V260-L302 WeakPolarHBondContact O-CD1 3.49Å; V260-R304 PolarHBondContact O-NH1 2.67Å; V260-R304 PolarHBondContact O-NH2 2.94Å
261	N	96.8	Very high	97.7	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.064	14%	0.144	C	C	.	.			trans	-68.6	165.5	170.7	73.2	-29.9	0	0	0	111.6	A263 F264 T265 H266 Y268	N261-A263 VanDerWaalsContact C-N 3.27Å; N261-A263 PolarHBondContact O-N 2.81Å; N261-F264 PolarHBondContact O-N 2.94Å; N261-F264 PolarHBondContact OD1-N 3.28Å; N261-T265 PolarHBondContact ND2-OG1 3.04Å; N261-T265 PolarHBondContact OD1-N 3.44Å; N261-H266 HydrophobicContact CB-CB 4.42Å; N261-H266 PolarHBondContact N-O 3.24Å; N261-H266 PolarHBondContact ND2-ND1 3.13Å; N261-H266 PolarHBondContact OD1-N 2.86Å; N261-H266 PolarHBondContact OD1-O 2.93Å; N261-Y268 HydrophobicContact CB-CE2 4.46Å
262	D	95.1	Very high	97.8	Very high	104 Å²	104	32.2 Å²	32.2	56%	0.556	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.4	-173	-65	-18.4	0	0	0	112.9	F264 R304	D262-F264 PolarHBondContact O-N 3.45Å; D262-R304 IonicContact OD1-CZ 2.85Å; D262-R304 IonicContact OD1-NH1 3.72Å; D262-R304 PolarHBondContact OD1-NH1 3.25Å
263	A	96.3	Very high	97.9	Very high	62 Å²	62	26.9 Å²	26.9	51%	0.512	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.8	175	0	0	0	0	0	114.4	N261 T265	N261-A263 VanDerWaalsContact C-N 3.27Å; N261-A263 PolarHBondContact O-N 2.81Å; A263-T265 VanDerWaalsContact C-N 3.28Å; A263-T265 HydrophobicContact CB-CG2 4.22Å; A263-T265 PolarHBondContact O-N 3.04Å
264	F	97	Very high	97.9	Very high	24 Å²	24	28.3 Å²	28.3	11%	0.105	14%	0.139	C	C	.	.	S	Bend	trans	56.5	38.4	-175.8	-152.9	-98.3	0	0	0	113.7	N219 Q224 L226 L236 V260 N261 D262 L281	N219-F264 HydrophobicContact CB-CB 4.29Å; N219-F264 HydrophobicContact CB-CD1 4.05Å; N219-F264 HydrophobicContact CB-CD2 3.64Å; N219-F264 HydrophobicContact CB-CE1 4.25Å; N219-F264 HydrophobicContact CB-CE2 3.86Å; N219-F264 HydrophobicContact CB-CG 3.74Å; N219-F264 HydrophobicContact CB-CZ 4.15Å; Q224-F264 HydrophobicContact CB-CD1 4.42Å; Q224-F264 HydrophobicContact CB-CE1 3.77Å; Q224-F264 HydrophobicContact CB-CZ 4.41Å; L226-F264 HydrophobicContact CB-CZ 4.31Å; L226-F264 HydrophobicContact CD1-CE1 4.05Å; L226-F264 HydrophobicContact CD1-CE2 3.94Å; L226-F264 HydrophobicContact CD1-CZ 3.6Å; L226-F264 HydrophobicContact CG-CE1 4.08Å; L226-F264 HydrophobicContact CG-CE2 4.43Å; L226-F264 HydrophobicContact CG-CZ 3.66Å; L236-F264 HydrophobicContact CD1-CE1 3.77Å; V260-F264 HydrophobicContact CB-CD2 4.33Å; V260-F264 HydrophobicContact CG1-CD2 3.8Å; V260-F264 HydrophobicContact CG1-CE2 4.06Å; V260-F264 HydrophobicContact CG2-CB 4.48Å; V260-F264 HydrophobicContact CG2-CD2 3.72Å; V260-F264 HydrophobicContact CG2-CE2 4.2Å; V260-F264 HydrophobicContact CG2-CG 4.16Å; N261-F264 PolarHBondContact O-N 2.94Å; N261-F264 PolarHBondContact OD1-N 3.28Å; D262-F264 PolarHBondContact O-N 3.45Å; F264-L281 WeakPolarHBondContact O-CD1 3.26Å
265	T	96.5	Very high	97.9	Very high	32 Å²	32	30.3 Å²	30.3	20%	0.196	15%	0.146	C	C	.	.			trans	-114.8	-22	-177.7	50.5	0	0	0	0	113.5	N261 A263 L281	N261-T265 PolarHBondContact ND2-OG1 3.04Å; N261-T265 PolarHBondContact OD1-N 3.44Å; A263-T265 VanDerWaalsContact C-N 3.28Å; A263-T265 HydrophobicContact CB-CG2 4.22Å; A263-T265 PolarHBondContact O-N 3.04Å; T265-L281 WeakPolarHBondContact O-CB 3.45Å; T265-L281 WeakPolarHBondContact O-CG 3.37Å; T265-L281 PolarHBondContact O-N 2.78Å
266	H	96.4	Very high	97.9	Very high	23 Å²	23	30.3 Å²	30.3	11%	0.106	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.9	-178.7	-66.2	86.2	0	0	0	110.1	V260 N261 Y268 T279 D280 R333	V260-H266 WeakPolarHBondContact CA-O 3.43Å; V260-H266 VanDerWaalsContact CG2-O 3.24Å; V260-H266 WeakPolarHBondContact CG2-O 3.49Å; N261-H266 HydrophobicContact CB-CB 4.42Å; N261-H266 PolarHBondContact N-O 3.24Å; N261-H266 PolarHBondContact ND2-ND1 3.13Å; N261-H266 PolarHBondContact OD1-N 2.86Å; N261-H266 PolarHBondContact OD1-O 2.93Å; H266-Y268 HydrophobicContact CB-CE2 4.4Å; H266-T279 WeakPolarHBondContact CA-O 3.46Å; H266-D280 IonicContact CE1-OD2 2.8Å; H266-D280 IonicContact NE2-OD2 3.95Å; H266-D280 PolarHBondContact NE2-OD2 2.8Å; H266-R333 PolarHBondContact CD2-NH2 3.19Å; H266-R333 PolarHBondContact NE2-NH1 3.25Å; H266-R333 PolarHBondContact NE2-NH2 3.33Å
267	V	98.2	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.4	174.8	65.1	0	0	0	0	110	L226 I234 L258 C278 T279 L281	L226-V267 HydrophobicContact CD1-CB 4.19Å; L226-V267 HydrophobicContact CD1-CG2 4.08Å; I234-V267 HydrophobicContact CG2-CG2 4.5Å; L258-V267 HydrophobicContact CD2-CG2 3.89Å; V267-C278 WeakPolarHBondContact O-CA 3.44Å; V267-T279 PolarHBondContact N-O 3.08Å; V267-T279 PolarHBondContact O-N 2.82Å; V267-L281 HydrophobicContact CB-CD2 3.94Å; V267-L281 HydrophobicContact CB-CG 4.36Å; V267-L281 HydrophobicContact CG1-CD2 3.55Å; V267-L281 HydrophobicContact CG1-CG 4.24Å
268	Y	98.5	Very high	97.7	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.9	172.3	-58.4	-95.3	0	0	0	107.8	L258 Q259 N261 H266 Y277 C278 I290 M300 L302 P309 I312 L326 I329	L258-Y268 CarbonylContact C-O 3.59Å; L258-Y268 VanDerWaalsContact CA-O 3.29Å; L258-Y268 WeakPolarHBondContact CA-O 3.39Å; Q259-Y268 HydrophobicContact CB-CD2 4.46Å; Q259-Y268 PolarHBondContact N-O 2.93Å; Q259-Y268 PolarHBondContact O-N 3.19Å; N261-Y268 HydrophobicContact CB-CE2 4.46Å; H266-Y268 HydrophobicContact CB-CE2 4.4Å; Y268-Y277 CarbonylContact C-O 3.57Å; Y268-Y277 VanDerWaalsContact CA-O 3.27Å; Y268-Y277 WeakPolarHBondContact CA-O 3.23Å; Y268-C278 HydrophobicContact CD1-CB 3.91Å; Y268-C278 HydrophobicContact CE1-CB 3.86Å; Y268-I290 HydrophobicContact CD1-CD1 3.75Å; Y268-I290 HydrophobicContact CE1-CD1 4.18Å; Y268-M300 WeakPolarHBondContact O-CE 3.38Å; Y268-L302 HydrophobicContact CD1-CD2 4.35Å; Y268-L302 HydrophobicContact CD2-CD1 3.79Å; Y268-L302 HydrophobicContact CD2-CD2 4.1Å; Y268-L302 HydrophobicContact CD2-CG 4.43Å; Y268-L302 HydrophobicContact CE1-CD2 4.33Å; Y268-L302 HydrophobicContact CE2-CD1 3.8Å; Y268-L302 HydrophobicContact CE2-CD2 4.08Å; Y268-L302 HydrophobicContact CG-CD2 4.24Å; Y268-P309 HydrophobicContact CE2-CG 4.22Å; Y268-P309 WeakPolarHBondContact OH-CG 3.32Å; Y268-I312 HydrophobicContact CD1-CD1 4.33Å; Y268-I312 HydrophobicContact CG-CD1 4.34Å; Y268-L326 HydrophobicContact CD1-CD1 4.4Å; Y268-L326 HydrophobicContact CE1-CD1 3.66Å; Y268-L326 HydrophobicContact CE1-CD2 4.33Å; Y268-I329 HydrophobicContact CE1-CD1 4.41Å
269	S	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.2	-173.3	60.8	0	0	0	0	112.9	I234 H251 I276 Y277	I234-S269 WeakPolarHBondContact CD1-OG 3.43Å; H251-S269 VanDerWaalsContact NE2-CB 3.34Å; H251-S269 WeakPolarHBondContact NE2-CB 3.23Å; H251-S269 PolarHBondContact NE2-O 2.8Å; H251-S269 PolarHBondContact NE2-OG 3.25Å; S269-I276 VanDerWaalsContact O-CA 3.31Å; S269-I276 WeakPolarHBondContact O-CA 3.5Å; S269-Y277 PolarHBondContact N-O 2.9Å; S269-Y277 PolarHBondContact O-N 3.44Å
270	G	98.7	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.3	177.1	0	0	0	0	0	111.4	W256 A257	W256-G270 PolarHBondContact N-O 3.49Å; A257-G270 PolarHBondContact N-O 3.5Å; A257-G270 PolarHBondContact O-N 3.04Å; A257-G270 VanDerWaalsContact O-N 3.1Å
271	G	98.6	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-139.8	-179.6	0	0	0	0	0	114.1	G254 D273 R274 V297	G254-G271 WeakPolarHBondContact O-CA 3.31Å; G271-D273 VanDerWaalsContact C-N 3.35Å; G271-D273 PolarHBondContact O-N 3.45Å; G271-R274 PolarHBondContact O-N 3.25Å; G271-V297 PolarHBondContact O-N 3.16Å
272	R	98.6	Very high	97.2	Very high	136 Å²	136	36.8 Å²	36.8	51%	0.513	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-34.2	-171	-169.6	173.2	166.3	132.5	4.7	113.6	E253 G254 W256 R274	E253-R272 HydrophobicContact CB-CB 3.81Å; E253-R272 HydrophobicContact CB-CG 4.28Å; E253-R272 WeakPolarHBondContact OE2-CD 3.47Å; E253-R272 WeakPolarHBondContact OE2-CG 3.32Å; E253-R272 IonicContact OE2-CZ 3.56Å; E253-R272 IonicContact OE2-NE 2.89Å; E253-R272 PolarHBondContact OE2-NE 3.11Å; G254-R272 PolarHBondContact O-N 3.19Å; W256-R272 HydrophobicContact CH2-CB 3.67Å; W256-R272 HydrophobicContact CH2-CG 3.65Å; W256-R272 HydrophobicContact CZ2-CB 3.57Å; W256-R272 HydrophobicContact CZ2-CG 3.8Å; W256-R272 HydrophobicContact CZ3-CB 4.21Å; W256-R272 HydrophobicContact CZ3-CG 4.47Å; R272-R274 PolarHBondContact O-N 2.85Å
273	D	97.8	Very high	97.1	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.064	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.1	178.7	66.5	-8.3	0	0	0	114.1	H251 D252 E253 G271 K275	H251-D273 WeakPolarHBondContact CA-OD2 3.17Å; H251-D273 VanDerWaalsContact CB-OD2 3.25Å; H251-D273 WeakPolarHBondContact CB-OD2 3.46Å; H251-D273 IonicContact CE1-OD1 3.83Å; H251-D273 IonicContact CG-OD2 2.7Å; H251-D273 VanDerWaalsContact ND1-CG 3.27Å; H251-D273 IonicContact ND1-OD1 3.41Å; H251-D273 PolarHBondContact ND1-OD1 2.82Å; H251-D273 IonicContact ND1-OD2 3.4Å; H251-D273 PolarHBondContact ND1-OD2 2.78Å; D252-D273 PolarHBondContact N-OD2 2.93Å; E253-D273 HydrophobicContact CB-CB 4.15Å; E253-D273 HydrophobicContact CG-CB 4.37Å; G271-D273 VanDerWaalsContact C-N 3.35Å; G271-D273 PolarHBondContact O-N 3.45Å; D273-K275 PolarHBondContact O-N 3.34Å
274	R	98.5	Very high	96.8	Very high	113 Å²	113	34.6 Å²	34.6	43%	0.426	15%	0.152	S	C	.	.			trans	68.9	-13.6	174.8	-40.9	174.2	-172.9	163.7	2.2	115.7	G271 R272 E292 E293	G271-R274 PolarHBondContact O-N 3.25Å; R272-R274 PolarHBondContact O-N 2.85Å; R274-E292 HydrophobicContact CB-CG 4.28Å; R274-E293 HydrophobicContact CB-CB 4.41Å; R274-E293 WeakPolarHBondContact CB-O 3.41Å; R274-E293 WeakPolarHBondContact CD-O 2.98Å; R274-E293 PolarHBondContact O-N 2.57Å
275	K	98.1	Very high	96.3	Very high	49 Å²	49	39.2 Å²	39.2	21%	0.213	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144.7	176.8	-61.1	177.6	-166.2	160.3	0	109.8	H251 D252 D273 Y277 L289 E292	H251-K275 PolarHBondContact CE1-O 3.08Å; H251-K275 VanDerWaalsContact CE1-O 3.29Å; D252-K275 IonicContact OD2-NZ 3.47Å; D252-K275 PolarHBondContact OD2-NZ 3.38Å; D273-K275 PolarHBondContact O-N 3.34Å; K275-Y277 HydrophobicContact CB-CD2 4.23Å; K275-Y277 HydrophobicContact CB-CE2 3.56Å; K275-Y277 HydrophobicContact CD-CE2 4.05Å; K275-Y277 VanDerWaalsContact CD-OH 3.27Å; K275-Y277 WeakPolarHBondContact CD-OH 3.39Å; K275-Y277 HydrophobicContact CG-CE2 4.45Å; K275-L289 HydrophobicContact CB-CD1 3.87Å; K275-L289 HydrophobicContact CG-CD1 4.3Å; K275-E292 HydrophobicContact CG-CG 4.26Å
276	I	98.4	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.8	175.4	-59.3	-179.8	0	0	0	109	S269 I290 C291 E293 V297 M300 V314	S269-I276 VanDerWaalsContact O-CA 3.31Å; S269-I276 WeakPolarHBondContact O-CA 3.5Å; I276-I290 HydrophobicContact CB-CB 4.45Å; I276-I290 HydrophobicContact CG2-CB 4.27Å; I276-I290 HydrophobicContact CG2-CD1 3.98Å; I276-I290 WeakPolarHBondContact O-CB 3.39Å; I276-I290 PolarHBondContact O-N 3.41Å; I276-C291 PolarHBondContact N-O 3.17Å; I276-E293 HydrophobicContact CD1-CG 4.19Å; I276-V297 HydrophobicContact CD1-CG2 3.94Å; I276-V297 HydrophobicContact CG1-CG2 3.92Å; I276-M300 HydrophobicContact CD1-SD 4.15Å; I276-M300 HydrophobicContact CG1-SD 4.4Å; I276-M300 HydrophobicContact CG2-SD 3.83Å; I276-V314 HydrophobicContact CD1-CB 4.26Å; I276-V314 HydrophobicContact CD1-CG1 3.66Å; I276-V314 HydrophobicContact CD1-CG2 3.56Å
277	Y	97.5	Very high	95.6	Very high	14 Å²	14	43.1 Å²	43.1	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.8	-177.9	-67.8	-82.2	0	0	0	111.9	V250 H251 Y268 S269 K275 V288 L289 I346	V250-Y277 HydrophobicContact CG1-CD1 3.96Å; V250-Y277 HydrophobicContact CG1-CD2 3.61Å; V250-Y277 HydrophobicContact CG1-CE1 4.42Å; V250-Y277 HydrophobicContact CG1-CE2 4.1Å; V250-Y277 HydrophobicContact CG1-CG 3.52Å; H251-Y277 AromaticContact CE1-CD2 3.65Å; H251-Y277 AromaticContact NE2-CD2 3.83Å; Y268-Y277 CarbonylContact C-O 3.57Å; Y268-Y277 VanDerWaalsContact CA-O 3.27Å; Y268-Y277 WeakPolarHBondContact CA-O 3.23Å; S269-Y277 PolarHBondContact N-O 2.9Å; S269-Y277 PolarHBondContact O-N 3.44Å; K275-Y277 HydrophobicContact CB-CD2 4.23Å; K275-Y277 HydrophobicContact CB-CE2 3.56Å; K275-Y277 HydrophobicContact CD-CE2 4.05Å; K275-Y277 VanDerWaalsContact CD-OH 3.27Å; K275-Y277 WeakPolarHBondContact CD-OH 3.39Å; K275-Y277 HydrophobicContact CG-CE2 4.45Å; Y277-V288 CarbonylContact C-O 3.6Å; Y277-V288 WeakPolarHBondContact CA-O 3.16Å; Y277-L289 HydrophobicContact CD1-CB 4.07Å; Y277-L289 HydrophobicContact CD1-CD1 4.08Å; Y277-L289 HydrophobicContact CE1-CB 3.78Å; Y277-L289 HydrophobicContact CE1-CD1 3.68Å; Y277-L289 HydrophobicContact CE1-CG 4.27Å; Y277-L289 HydrophobicContact CE2-CD1 4.25Å; Y277-I346 HydrophobicContact CE1-CD1 4.29Å
278	C	97	Very high	95.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119	160.1	177.2	0	0	0	0	108.5	V267 Y268 R287 V288 I290 I329	V267-C278 WeakPolarHBondContact O-CA 3.44Å; Y268-C278 HydrophobicContact CD1-CB 3.91Å; Y268-C278 HydrophobicContact CE1-CB 3.86Å; C278-R287 CarbonylContact O-C 3.59Å; C278-R287 WeakPolarHBondContact O-CA 3.29Å; C278-V288 PolarHBondContact N-O 2.82Å; C278-V288 PolarHBondContact O-N 2.99Å; C278-I290 HydrophobicContact CB-CD1 3.97Å; C278-I290 HydrophobicContact CB-CG1 4.39Å; C278-I329 HydrophobicContact CB-CD1 4.49Å
279	T	95.6	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.5	-176.8	-51.8	0	0	0	0	110.1	V250 H266 V267 L281 P284	V250-T279 HydrophobicContact CG2-CG2 4.42Å; H266-T279 WeakPolarHBondContact CA-O 3.46Å; V267-T279 PolarHBondContact N-O 3.08Å; V267-T279 PolarHBondContact O-N 2.82Å; T279-L281 PolarHBondContact O-N 2.88Å; T279-P284 HydrophobicContact CG2-CB 4.36Å
280	D	95.2	Very high	95.1	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.8	170.3	-166.8	-40.7	0	0	0	109.7	H266 R282 N283 I286 R333	H266-D280 IonicContact CE1-OD2 2.8Å; H266-D280 IonicContact NE2-OD2 3.95Å; H266-D280 PolarHBondContact NE2-OD2 2.8Å; D280-R282 PolarHBondContact O-N 2.91Å; D280-R282 VanDerWaalsContact OD1-CB 3.28Å; D280-R282 WeakPolarHBondContact OD1-CB 3.41Å; D280-R282 IonicContact OD1-CZ 3.57Å; D280-R282 PolarHBondContact OD1-N 2.69Å; D280-R282 IonicContact OD1-NE 3.88Å; D280-R282 PolarHBondContact OD1-NE 2.74Å; D280-R282 IonicContact OD1-NH2 3.29Å; D280-R282 IonicContact OD2-CZ 2.79Å; D280-R282 IonicContact OD2-NE 3.93Å; D280-R282 IonicContact OD2-NH2 2.74Å; D280-R282 PolarHBondContact OD2-NH2 3.4Å; D280-N283 CarbonylContact O-C 3.31Å; D280-N283 PolarHBondContact O-N 3.32Å; D280-I286 HydrophobicContact CB-CB 4.15Å; D280-I286 HydrophobicContact CB-CG2 4.5Å; D280-I286 PolarHBondContact N-O 2.71Å; D280-R333 IonicContact OD2-NH1 3.04Å
281	L	96.2	Very high	95	Very high	17 Å²	17	43.5 Å²	43.5	9%	0.089	19%	0.193	C	C	.	.	S	Bend	trans	-68.5	-18.1	-178	-64.7	171.5	0	0	0	112.9	L226 Y248 F264 T265 V267 T279	L226-L281 HydrophobicContact CD1-CD1 3.94Å; L226-L281 HydrophobicContact CD2-CD1 4.34Å; L226-L281 HydrophobicContact CD2-CD2 3.8Å; Y248-L281 HydrophobicContact CD2-CD2 4.28Å; Y248-L281 HydrophobicContact CE2-CD2 3.47Å; Y248-L281 VanDerWaalsContact CE2-CD2 3.47Å; Y248-L281 PolarHBondContact OH-O 3.36Å; F264-L281 WeakPolarHBondContact O-CD1 3.26Å; T265-L281 WeakPolarHBondContact O-CB 3.45Å; T265-L281 WeakPolarHBondContact O-CG 3.37Å; T265-L281 PolarHBondContact O-N 2.78Å; V267-L281 HydrophobicContact CB-CD2 3.94Å; V267-L281 HydrophobicContact CB-CG 4.36Å; V267-L281 HydrophobicContact CG1-CD2 3.55Å; V267-L281 HydrophobicContact CG1-CG 4.24Å; T279-L281 PolarHBondContact O-N 2.88Å
282	R	95.2	Very high	95	Very high	175 Å²	175	49 Å²	49	66%	0.66	22%	0.218	S	C	*	.	S	Bend	trans	-90	-29.7	-179.9	-53.7	165.5	-64.4	170	5.6	111.5	D280	D280-R282 PolarHBondContact O-N 2.91Å; D280-R282 VanDerWaalsContact OD1-CB 3.28Å; D280-R282 WeakPolarHBondContact OD1-CB 3.41Å; D280-R282 IonicContact OD1-CZ 3.57Å; D280-R282 PolarHBondContact OD1-N 2.69Å; D280-R282 IonicContact OD1-NE 3.88Å; D280-R282 PolarHBondContact OD1-NE 2.74Å; D280-R282 IonicContact OD1-NH2 3.29Å; D280-R282 IonicContact OD2-CZ 2.79Å; D280-R282 IonicContact OD2-NE 3.93Å; D280-R282 IonicContact OD2-NH2 2.74Å; D280-R282 PolarHBondContact OD2-NH2 3.4Å
283	N	92.4	Very high	95	Very high	62 Å²	62	42.9 Å²	42.9	33%	0.332	20%	0.196	S	C	.	.			trans	-141.5	93.3	177	-173.8	-9	0	0	0	109.8	D280 D285 I286	D280-N283 CarbonylContact O-C 3.31Å; D280-N283 PolarHBondContact O-N 3.32Å; N283-D285 PolarHBondContact O-N 3.37Å; N283-D285 PolarHBondContact OD1-N 3.29Å; N283-I286 HydrophobicContact CB-CD1 3.99Å; N283-I286 HydrophobicContact CB-CG1 4.17Å; N283-I286 WeakPolarHBondContact O-CB 3.41Å; N283-I286 PolarHBondContact O-N 3.32Å
284	P	89.1	Confident	95	Very high	58 Å²	58	50.1 Å²	50.1	38%	0.377	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.8	-172.8	29.1	-36.1	0	0	0	114.5	Y248 T279 I286	Y248-P284 HydrophobicContact CD1-CB 3.69Å; Y248-P284 HydrophobicContact CD1-CG 4.39Å; Y248-P284 HydrophobicContact CE1-CB 3.98Å; Y248-P284 HydrophobicContact CE1-CG 4.42Å; T279-P284 HydrophobicContact CG2-CB 4.36Å; P284-I286 PolarHBondContact O-N 3.28Å
285	D	86.9	Confident	95	Very high	120 Å²	120	45 Å²	45	64%	0.642	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.8	172.3	-57.3	-33.3	0	0	0	110.7	N283 R287	N283-D285 PolarHBondContact O-N 3.37Å; N283-D285 PolarHBondContact OD1-N 3.29Å; D285-R287 PolarHBondContact O-N 3.33Å; D285-R287 VanDerWaalsContact O-N 3.1Å
286	I	88.8	Confident	95	Very high	32 Å²	32	44 Å²	44	16%	0.164	21%	0.206	C	C	.	.			trans	-83.4	84.7	171.7	-51	178	0	0	0	109.2	D280 N283 P284 R333 Y338	D280-I286 HydrophobicContact CB-CB 4.15Å; D280-I286 HydrophobicContact CB-CG2 4.5Å; D280-I286 PolarHBondContact N-O 2.71Å; N283-I286 HydrophobicContact CB-CD1 3.99Å; N283-I286 HydrophobicContact CB-CG1 4.17Å; N283-I286 WeakPolarHBondContact O-CB 3.41Å; N283-I286 PolarHBondContact O-N 3.32Å; P284-I286 PolarHBondContact O-N 3.28Å; I286-R333 HydrophobicContact CG2-CG 3.99Å; I286-Y338 HydrophobicContact CG1-CE1 4.25Å
287	R	90.6	Very high	95	Very high	106 Å²	106	44 Å²	44	40%	0.4	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.6	172.9	64	-179.2	178.3	-179.7	-1.2	111.7	C278 D285	C278-R287 CarbonylContact O-C 3.59Å; C278-R287 WeakPolarHBondContact O-CA 3.29Å; D285-R287 PolarHBondContact O-N 3.33Å; D285-R287 VanDerWaalsContact O-N 3.1Å
288	V	92.6	Very high	95.1	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.3	176.6	-179.1	0	0	0	0	108.4	Y277 C278 I290 F332 L349	Y277-V288 CarbonylContact C-O 3.6Å; Y277-V288 WeakPolarHBondContact CA-O 3.16Å; C278-V288 PolarHBondContact N-O 2.82Å; C278-V288 PolarHBondContact O-N 2.99Å; V288-I290 PolarHBondContact O-N 3.32Å; V288-F332 HydrophobicContact CG1-CD1 4.39Å; V288-F332 HydrophobicContact CG2-CD1 4.34Å; V288-L349 HydrophobicContact CG1-CB 4.34Å
289	L	95.4	Very high	95.2	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.058	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	112.4	166.9	178.8	63.4	0	0	0	107.8	K275 Y277 C291 I346 P348 L349	K275-L289 HydrophobicContact CB-CD1 3.87Å; K275-L289 HydrophobicContact CG-CD1 4.3Å; Y277-L289 HydrophobicContact CD1-CB 4.07Å; Y277-L289 HydrophobicContact CD1-CD1 4.08Å; Y277-L289 HydrophobicContact CE1-CB 3.78Å; Y277-L289 HydrophobicContact CE1-CD1 3.68Å; Y277-L289 HydrophobicContact CE1-CG 4.27Å; Y277-L289 HydrophobicContact CE2-CD1 4.25Å; L289-C291 WeakPolarHBondContact CD1-O 3.44Å; L289-I346 HydrophobicContact CB-CB 4.41Å; L289-I346 HydrophobicContact CB-CG2 3.66Å; L289-I346 VanDerWaalsContact CD2-O 3.3Å; L289-I346 WeakPolarHBondContact CD2-O 3.31Å; L289-P348 HydrophobicContact CD2-CB 3.97Å; L289-P348 HydrophobicContact CG-CB 4.08Å; L289-P348 CarbonylContact O-C 3.55Å; L289-P348 WeakPolarHBondContact O-CA 3.24Å; L289-L349 PolarHBondContact O-N 3.09Å
290	I	96.3	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-53.2	179.1	-67.6	163.3	0	0	0	109.6	Y268 I276 C278 V288 W324 L326 L349 C350	Y268-I290 HydrophobicContact CD1-CD1 3.75Å; Y268-I290 HydrophobicContact CE1-CD1 4.18Å; I276-I290 HydrophobicContact CB-CB 4.45Å; I276-I290 HydrophobicContact CG2-CB 4.27Å; I276-I290 HydrophobicContact CG2-CD1 3.98Å; I276-I290 WeakPolarHBondContact O-CB 3.39Å; I276-I290 PolarHBondContact O-N 3.41Å; C278-I290 HydrophobicContact CB-CD1 3.97Å; C278-I290 HydrophobicContact CB-CG1 4.39Å; V288-I290 PolarHBondContact O-N 3.32Å; I290-W324 HydrophobicContact CG2-CB 4.32Å; I290-L326 HydrophobicContact CD1-CD2 3.54Å; I290-L326 HydrophobicContact CG1-CD2 3.94Å; I290-L326 HydrophobicContact CG2-CD2 3.92Å; I290-L349 PolarHBondContact O-N 3.29Å; I290-C350 PolarHBondContact O-N 3.18Å
291	C	96.8	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	171.5	179	61.9	0	0	0	0	110.6	I276 L289 W324	I276-C291 PolarHBondContact N-O 3.17Å; L289-C291 WeakPolarHBondContact CD1-O 3.44Å; C291-W324 HydrophobicContact CB-CD2 3.92Å; C291-W324 HydrophobicContact CB-CE3 3.64Å; C291-W324 HydrophobicContact CB-CH2 3.85Å; C291-W324 HydrophobicContact CB-CZ2 4.14Å; C291-W324 HydrophobicContact CB-CZ3 3.59Å; C291-W324 VanDerWaalsContact SG-CD2 3.52Å; C291-W324 VanDerWaalsContact SG-CE2 3.52Å
292	E	97.8	Very high	95.6	Very high	116 Å²	116	46.7 Å²	46.7	54%	0.542	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.6	164.7	-172.9	-179	162.5	0	0	108.9	R274 K275	R274-E292 HydrophobicContact CB-CG 4.28Å; K275-E292 HydrophobicContact CG-CG 4.26Å
293	E	98.3	Very high	95.7	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.033	20%	0.196	C	C	.	.			trans	-74.5	159.2	179.5	-93.3	-67.3	175.4	0	0	112.8	R274 I276 A295 V297 V314 T316 N322 W324	R274-E293 HydrophobicContact CB-CB 4.41Å; R274-E293 WeakPolarHBondContact CB-O 3.41Å; R274-E293 WeakPolarHBondContact CD-O 2.98Å; R274-E293 PolarHBondContact O-N 2.57Å; I276-E293 HydrophobicContact CD1-CG 4.19Å; E293-A295 WeakPolarHBondContact CB-O 3.11Å; E293-A295 PolarHBondContact O-N 2.77Å; E293-V297 HydrophobicContact CB-CG2 4.2Å; E293-V297 HydrophobicContact CG-CG2 4.2Å; E293-V314 HydrophobicContact CG-CG1 3.84Å; E293-T316 HydrophobicContact CB-CG2 4.19Å; E293-T316 HydrophobicContact CG-CG2 3.9Å; E293-N322 WeakPolarHBondContact OE1-CB 3.4Å; E293-N322 PolarHBondContact OE1-ND2 3.28Å; E293-N322 PolarHBondContact OE2-ND2 2.76Å; E293-N322 VanDerWaalsContact OE2-ND2 3.16Å; E293-W324 PolarHBondContact OE1-NE1 3.16Å
294	K	97.8	Very high	95.8	Very high	164 Å²	164	41.6 Å²	41.6	71%	0.713	20%	0.197	S	C	*	.	S	Bend	trans	-75.5	-4.4	178.2	-64.8	-177.8	-178.6	176.3	0	113.5	K318	K294-K318 HydrophobicContact CB-CD 4.41Å
295	A	98.4	Very high	96.1	Very high	6 Å²	6	43 Å²	43	5%	0.05	21%	0.208	C	C	.	.	S	Bend	trans	-160.5	160.2	-177.1	0	0	0	0	0	111.1	E293 V297 T317 K318	E293-A295 WeakPolarHBondContact CB-O 3.11Å; E293-A295 PolarHBondContact O-N 2.77Å; A295-V297 PolarHBondContact O-N 3.13Å; A295-T317 WeakPolarHBondContact CB-OG1 3.33Å; A295-K318 HydrophobicContact CB-CB 4.42Å; A295-K318 HydrophobicContact CB-CD 4.08Å; A295-K318 HydrophobicContact CB-CG 3.75Å
296	P	98.8	Very high	96.4	Very high	26 Å²	26	39.8 Å²	39.8	17%	0.169	20%	0.198	C	C	.	.			trans	-51.1	132.4	178.3	-32.2	36.7	0	0	0	113.7	W256 T316 T317	W256-P296 HydrophobicContact CH2-CB 4.35Å; W256-P296 HydrophobicContact CZ3-CB 3.67Å; P296-T316 VanDerWaalsContact O-CA 3.25Å; P296-T316 WeakPolarHBondContact O-CA 3.4Å; P296-T316 VanDerWaalsContact O-CB 3.3Å; P296-T316 WeakPolarHBondContact O-CB 3.38Å; P296-T317 HydrophobicContact CB-CG2 4.24Å; P296-T317 WeakPolarHBondContact CD-OG1 3.46Å; P296-T317 PolarHBondContact O-N 2.81Å; P296-T317 VanDerWaalsContact O-N 3.14Å
297	V	98.9	Very high	96.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.6	-178.8	179	0	0	0	0	109.5	A257 G271 I276 E293 A295 M300 V314	A257-V297 HydrophobicContact CB-CG1 4.11Å; G271-V297 PolarHBondContact O-N 3.16Å; I276-V297 HydrophobicContact CD1-CG2 3.94Å; I276-V297 HydrophobicContact CG1-CG2 3.92Å; E293-V297 HydrophobicContact CB-CG2 4.2Å; E293-V297 HydrophobicContact CG-CG2 4.2Å; A295-V297 PolarHBondContact O-N 3.13Å; V297-M300 HydrophobicContact CG1-CG 3.82Å; V297-M300 HydrophobicContact CG1-SD 4.24Å; V297-V314 HydrophobicContact CG1-CG1 4.07Å; V297-V314 HydrophobicContact CG2-CG1 4.2Å
298	L	98.8	Very high	96.3	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-42.6	-179.1	-63.4	-178.7	0	0	0	112	V33 W256 A315 T316 T317	V33-L298 WeakPolarHBondContact O-CD1 3.45Å; W256-L298 HydrophobicContact CE3-CD2 3.94Å; W256-L298 HydrophobicContact CZ3-CD2 4.05Å; L298-A315 PolarHBondContact N-O 3.18Å; L298-T316 WeakPolarHBondContact CD1-O 3.18Å; L298-T317 HydrophobicContact CD1-CG2 4.01Å; L298-T317 HydrophobicContact CD2-CG2 3.94Å; L298-T317 HydrophobicContact CG-CG2 4.1Å
299	K	98.8	Very high	96.5	Very high	51 Å²	51	41.5 Å²	41.5	22%	0.222	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.6	178.8	-157.3	69.5	171	68.9	0	110.8	N34 A315	N34-K299 VanDerWaalsContact O-CB 3.25Å; N34-K299 WeakPolarHBondContact O-CB 3.41Å; K299-A315 HydrophobicContact CB-CB 4.46Å; K299-A315 PolarHBondContact N-O 2.77Å; K299-A315 PolarHBondContact O-N 2.68Å
300	M	98.8	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.5	174.8	-56.8	-179.8	-66.7	0	0	109.6	A257 Q259 Y268 I276 V297 I312 W313 V314	A257-M300 HydrophobicContact CB-CE 3.92Å; A257-M300 HydrophobicContact CB-CG 4.09Å; A257-M300 WeakPolarHBondContact O-CE 3.36Å; Q259-M300 HydrophobicContact CG-CB 4.07Å; Q259-M300 WeakPolarHBondContact CG-O 3.35Å; Q259-M300 PolarHBondContact NE2-O 2.83Å; Y268-M300 WeakPolarHBondContact O-CE 3.38Å; I276-M300 HydrophobicContact CD1-SD 4.15Å; I276-M300 HydrophobicContact CG1-SD 4.4Å; I276-M300 HydrophobicContact CG2-SD 3.83Å; V297-M300 HydrophobicContact CG1-CG 3.82Å; V297-M300 HydrophobicContact CG1-SD 4.24Å; M300-I312 HydrophobicContact CB-CD1 3.91Å; M300-I312 HydrophobicContact CB-CG1 4.09Å; M300-I312 HydrophobicContact CG-CD1 4.33Å; M300-I312 HydrophobicContact SD-CD1 3.78Å; M300-W313 CarbonylContact C-O 3.6Å; M300-W313 WeakPolarHBondContact CA-O 3.45Å; M300-V314 HydrophobicContact CG-CG2 4.3Å
301	E	98.7	Very high	96.6	Very high	23 Å²	23	42.6 Å²	42.6	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	121	175.4	-171.8	63.6	-172.2	0	0	109.8	L36 L38 Q259 W313	L36-E301 HydrophobicContact CB-CB 3.82Å; L36-E301 HydrophobicContact CD1-CB 4.33Å; L38-E301 HydrophobicContact CB-CG 4.06Å; Q259-E301 PolarHBondContact NE2-OE2 2.89Å; E301-W313 HydrophobicContact CB-CB 4.46Å; E301-W313 PolarHBondContact N-O 3.13Å; E301-W313 PolarHBondContact O-N 2.9Å
302	L	98.4	Very high	96.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.1	179	-74.9	169.8	0	0	0	110.7	Q259 V260 Y268 R304 P309 I312 L326	Q259-L302 HydrophobicContact CB-CD1 3.79Å; Q259-L302 HydrophobicContact CB-CG 3.8Å; Q259-L302 HydrophobicContact CG-CG 4.19Å; V260-L302 WeakPolarHBondContact O-CD1 3.49Å; Y268-L302 HydrophobicContact CD1-CD2 4.35Å; Y268-L302 HydrophobicContact CD2-CD1 3.79Å; Y268-L302 HydrophobicContact CD2-CD2 4.1Å; Y268-L302 HydrophobicContact CD2-CG 4.43Å; Y268-L302 HydrophobicContact CE1-CD2 4.33Å; Y268-L302 HydrophobicContact CE2-CD1 3.8Å; Y268-L302 HydrophobicContact CE2-CD2 4.08Å; Y268-L302 HydrophobicContact CG-CD2 4.24Å; L302-R304 HydrophobicContact CB-CG 4.22Å; L302-R304 PolarHBondContact O-N 3.38Å; L302-P309 HydrophobicContact CB-CB 4.4Å; L302-P309 HydrophobicContact CD1-CG 4.28Å; L302-P309 HydrophobicContact CD2-CB 4Å; L302-P309 HydrophobicContact CD2-CG 3.96Å; L302-I312 HydrophobicContact CD2-CB 3.99Å; L302-I312 HydrophobicContact CD2-CD1 3.85Å; L302-I312 HydrophobicContact CD2-CG1 3.97Å; L302-I312 HydrophobicContact CG-CD1 4.48Å; L302-L326 HydrophobicContact CD2-CD1 3.82Å
303	D	97.2	Very high	96.7	Very high	33 Å²	33	37.1 Å²	37.1	18%	0.176	20%	0.203	C	C	.	.			trans	-72.4	114.7	159.2	-172.4	-24.7	0	0	0	107.8	L38 S305 P309 P310 A311	L38-D303 HydrophobicContact CD2-CB 4.48Å; D303-S305 WeakPolarHBondContact OD1-CB 3.32Å; D303-S305 PolarHBondContact OD1-N 2.96Å; D303-S305 PolarHBondContact OD1-OG 3.26Å; D303-P309 WeakPolarHBondContact O-CB 3.41Å; D303-P310 HydrophobicContact CB-CG 4.15Å; D303-P310 WeakPolarHBondContact O-CD 3.25Å; D303-A311 HydrophobicContact CB-CB 4.07Å; D303-A311 PolarHBondContact N-O 2.9Å
304	R	95.4	Very high	96.7	Very high	98 Å²	98	36.8 Å²	36.8	37%	0.37	20%	0.201	S	C	.	.			trans	-102.2	23.3	-177.7	-60.7	-173.9	-178.2	-84.5	-8.3	112.8	V260 D262 L302 A306	V260-R304 PolarHBondContact O-NH1 2.67Å; V260-R304 PolarHBondContact O-NH2 2.94Å; D262-R304 IonicContact OD1-CZ 2.85Å; D262-R304 IonicContact OD1-NH1 3.72Å; D262-R304 PolarHBondContact OD1-NH1 3.25Å; L302-R304 HydrophobicContact CB-CG 4.22Å; L302-R304 PolarHBondContact O-N 3.38Å; R304-A306 VanDerWaalsContact C-N 3.27Å; R304-A306 PolarHBondContact O-N 3.48Å
305	S	93.5	Very high	96.8	Very high	86 Å²	86	29 Å²	29	60%	0.601	17%	0.167	S	C	*	.	S	Bend	trans	-71.4	-17.9	177.3	56.2	0	0	0	0	114.1	D303	D303-S305 WeakPolarHBondContact OD1-CB 3.32Å; D303-S305 PolarHBondContact OD1-N 2.96Å; D303-S305 PolarHBondContact OD1-OG 3.26Å
306	A	93.6	Very high	96.8	Very high	53 Å²	53	28.8 Å²	28.8	44%	0.438	17%	0.165	S	C	.	.	S	Bend	trans	-147.7	163.4	175.9	0	0	0	0	0	111.2	R304 P308 P309	R304-A306 VanDerWaalsContact C-N 3.27Å; R304-A306 PolarHBondContact O-N 3.48Å; A306-P308 CarbonylContact C-O 3.52Å; A306-P308 CarbonylContact O-C 3.38Å; A306-P308 VanDerWaalsContact O-C 3.31Å; A306-P309 WeakPolarHBondContact O-CA 3.49Å
307	D	88.2	Confident	96.8	Very high	102 Å²	102	30 Å²	30	55%	0.545	17%	0.172	S	C	.	.	S	Bend	trans	-121	119.3	169.9	-171.7	33.8	0	0	0	109
308	P	90.7	Very high	96.8	Very high	68 Å²	68	34.9 Å²	34.9	44%	0.442	19%	0.193	S	C	.	.	S	Bend	cis	-63.5	155.9	0.1	34.2	-43	0	0	0	113.2	A306 H330	A306-P308 CarbonylContact C-O 3.52Å; A306-P308 CarbonylContact O-C 3.38Å; A306-P308 VanDerWaalsContact O-C 3.31Å; P308-H330 WeakPolarHBondContact CG-NE2 3.35Å
309	P	96	Very high	96.8	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.045	19%	0.193	C	C	.	.			trans	-61.6	130.4	178.8	25.6	-34.7	0	0	0	110.8	Y268 L302 D303 A306 L326	Y268-P309 HydrophobicContact CE2-CG 4.22Å; Y268-P309 WeakPolarHBondContact OH-CG 3.32Å; L302-P309 HydrophobicContact CB-CB 4.4Å; L302-P309 HydrophobicContact CD1-CG 4.28Å; L302-P309 HydrophobicContact CD2-CB 4Å; L302-P309 HydrophobicContact CD2-CG 3.96Å; D303-P309 WeakPolarHBondContact O-CB 3.41Å; A306-P309 WeakPolarHBondContact O-CA 3.49Å; P309-L326 HydrophobicContact CB-CD1 4.34Å; P309-L326 HydrophobicContact CG-CD1 4.08Å; P309-L326 WeakPolarHBondContact O-CB 3.44Å
310	P	95.8	Very high	96.8	Very high	29 Å²	29	34.1 Å²	34.1	19%	0.188	19%	0.194	C	C	.	.	S	Bend	trans	-77.8	-20.7	-173.1	28.6	-35.6	0	0	0	114.2	D303 T325 L326	D303-P310 HydrophobicContact CB-CG 4.15Å; D303-P310 WeakPolarHBondContact O-CD 3.25Å; P310-T325 PolarHBondContact O-OG1 3.3Å; P310-L326 PolarHBondContact O-N 3.4Å
311	A	97.5	Very high	96.8	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.3	-176.3	0	0	0	0	0	112.3	D303 K323 W324	D303-A311 HydrophobicContact CB-CB 4.07Å; D303-A311 PolarHBondContact N-O 2.9Å; A311-K323 HydrophobicContact CB-CD 4.09Å; A311-K323 HydrophobicContact CB-CG 3.95Å; A311-W324 CarbonylContact C-O 3.6Å; A311-W324 VanDerWaalsContact CA-O 3.24Å; A311-W324 WeakPolarHBondContact CA-O 3.27Å; A311-W324 WeakPolarHBondContact CB-O 3.42Å
312	I	98.5	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.3	172.5	-168.5	164.2	0	0	0	110.1	Y268 M300 L302 V314 K323 W324 L326	Y268-I312 HydrophobicContact CD1-CD1 4.33Å; Y268-I312 HydrophobicContact CG-CD1 4.34Å; M300-I312 HydrophobicContact CB-CD1 3.91Å; M300-I312 HydrophobicContact CB-CG1 4.09Å; M300-I312 HydrophobicContact CG-CD1 4.33Å; M300-I312 HydrophobicContact SD-CD1 3.78Å; L302-I312 HydrophobicContact CD2-CB 3.99Å; L302-I312 HydrophobicContact CD2-CD1 3.85Å; L302-I312 HydrophobicContact CD2-CG1 3.97Å; L302-I312 HydrophobicContact CG-CD1 4.48Å; I312-V314 HydrophobicContact CG1-CG2 4.47Å; I312-V314 HydrophobicContact CG2-CG2 4.31Å; I312-K323 WeakPolarHBondContact O-CA 3.49Å; I312-W324 HydrophobicContact CG2-CB 3.96Å; I312-W324 PolarHBondContact N-O 3.22Å; I312-W324 PolarHBondContact O-N 3.18Å; I312-L326 HydrophobicContact CB-CD1 4.2Å; I312-L326 HydrophobicContact CB-CD2 4.48Å; I312-L326 HydrophobicContact CB-CG 4.48Å; I312-L326 HydrophobicContact CG2-CD2 3.9Å; I312-L326 HydrophobicContact CG2-CG 4.32Å
313	W	98.7	Very high	96.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.3	169.7	-73	96.1	0	0	0	110.1	L36 L45 V59 M300 E301 V321 N322 K323 Q355 I357	L36-W313 HydrophobicContact CD1-CB 3.92Å; L45-W313 HydrophobicContact CD1-CD2 4.41Å; L45-W313 HydrophobicContact CD1-CG 4.19Å; L45-W313 HydrophobicContact CD2-CD2 3.83Å; L45-W313 HydrophobicContact CD2-CE3 3.68Å; L45-W313 HydrophobicContact CD2-CG 4.37Å; L45-W313 HydrophobicContact CD2-CH2 4.37Å; L45-W313 HydrophobicContact CD2-CZ3 3.96Å; V59-W313 HydrophobicContact CB-CZ2 3.84Å; V59-W313 HydrophobicContact CG1-CH2 4.23Å; V59-W313 HydrophobicContact CG1-CZ2 3.46Å; V59-W313 VanDerWaalsContact CG1-CZ2 3.46Å; M300-W313 CarbonylContact C-O 3.6Å; M300-W313 WeakPolarHBondContact CA-O 3.45Å; E301-W313 HydrophobicContact CB-CB 4.46Å; E301-W313 PolarHBondContact N-O 3.13Å; E301-W313 PolarHBondContact O-N 2.9Å; W313-V321 HydrophobicContact CE3-CG1 4.03Å; W313-N322 CarbonylContact C-O 3.6Å; W313-N322 WeakPolarHBondContact CA-O 3.33Å; W313-K323 HydrophobicContact CD2-CB 3.82Å; W313-K323 HydrophobicContact CD2-CD 4.38Å; W313-K323 HydrophobicContact CD2-CG 3.96Å; W313-K323 HydrophobicContact CE3-CB 3.72Å; W313-K323 HydrophobicContact CE3-CG 4.38Å; W313-K323 HydrophobicContact CG-CG 4.37Å; W313-K323 HydrophobicContact CH2-CB 3.88Å; W313-K323 HydrophobicContact CH2-CD 4.29Å; W313-K323 HydrophobicContact CH2-CG 4.48Å; W313-K323 HydrophobicContact CZ2-CB 3.94Å; W313-K323 HydrophobicContact CZ2-CD 3.6Å; W313-K323 HydrophobicContact CZ2-CG 4.04Å; W313-K323 HydrophobicContact CZ3-CB 3.77Å; W313-Q355 HydrophobicContact CH2-CB 4.35Å; W313-Q355 HydrophobicContact CH2-CG 4.1Å; W313-I357 HydrophobicContact CE3-CD1 4.5Å; W313-I357 HydrophobicContact CH2-CD1 3.97Å; W313-I357 HydrophobicContact CH2-CG1 4.3Å; W313-I357 HydrophobicContact CZ3-CD1 3.66Å; W313-I357 HydrophobicContact CZ3-CG1 4.04Å
314	V	98.9	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.3	-171.9	-179.2	0	0	0	0	110.2	I276 E293 V297 M300 I312 T316 V321 N322	I276-V314 HydrophobicContact CD1-CB 4.26Å; I276-V314 HydrophobicContact CD1-CG1 3.66Å; I276-V314 HydrophobicContact CD1-CG2 3.56Å; E293-V314 HydrophobicContact CG-CG1 3.84Å; V297-V314 HydrophobicContact CG1-CG1 4.07Å; V297-V314 HydrophobicContact CG2-CG1 4.2Å; M300-V314 HydrophobicContact CG-CG2 4.3Å; I312-V314 HydrophobicContact CG1-CG2 4.47Å; I312-V314 HydrophobicContact CG2-CG2 4.31Å; V314-T316 HydrophobicContact CG1-CG2 4.09Å; V314-V321 WeakPolarHBondContact O-CG1 3.17Å; V314-N322 PolarHBondContact N-O 3.23Å; V314-N322 PolarHBondContact O-N 3.03Å
315	A	98.9	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.3	173.9	0	0	0	0	0	110.3	V33 L36 L298 K299	V33-A315 HydrophobicContact CB-CB 3.86Å; V33-A315 HydrophobicContact CG1-CB 3.78Å; V33-A315 WeakPolarHBondContact O-CB 3.43Å; L36-A315 HydrophobicContact CD1-CB 3.78Å; L36-A315 HydrophobicContact CD2-CB 4.11Å; L36-A315 HydrophobicContact CG-CB 3.8Å; L298-A315 PolarHBondContact N-O 3.18Å; K299-A315 HydrophobicContact CB-CB 4.46Å; K299-A315 PolarHBondContact N-O 2.77Å; K299-A315 PolarHBondContact O-N 2.68Å
316	T	98.9	Very high	97	Very high	2 Å²	2	27 Å²	27	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-179	-175.8	73.1	0	0	0	0	111.1	V33 E293 P296 L298 V314 K318	V33-T316 PolarHBondContact N-O 2.86Å; E293-T316 HydrophobicContact CB-CG2 4.19Å; E293-T316 HydrophobicContact CG-CG2 3.9Å; P296-T316 VanDerWaalsContact O-CA 3.25Å; P296-T316 WeakPolarHBondContact O-CA 3.4Å; P296-T316 VanDerWaalsContact O-CB 3.3Å; P296-T316 WeakPolarHBondContact O-CB 3.38Å; L298-T316 WeakPolarHBondContact CD1-O 3.18Å; V314-T316 HydrophobicContact CG1-CG2 4.09Å; T316-K318 PolarHBondContact O-N 3.23Å; T316-K318 VanDerWaalsContact O-O 3.13Å; T316-K318 PolarHBondContact OG1-N 2.79Å; T316-K318 VanDerWaalsContact OG1-N 3.09Å
317	T	98.5	Very high	96.7	Very high	50 Å²	50	32 Å²	32	31%	0.307	17%	0.169	S	C	.	.	S	Bend	trans	-66.1	-12.9	169.7	53.2	0	0	0	0	113.8	G32 A295 P296 L298	G32-T317 WeakPolarHBondContact CA-O 3.37Å; A295-T317 WeakPolarHBondContact CB-OG1 3.33Å; P296-T317 HydrophobicContact CB-CG2 4.24Å; P296-T317 WeakPolarHBondContact CD-OG1 3.46Å; P296-T317 PolarHBondContact O-N 2.81Å; P296-T317 VanDerWaalsContact O-N 3.14Å; L298-T317 HydrophobicContact CD1-CG2 4.01Å; L298-T317 HydrophobicContact CD2-CG2 3.94Å; L298-T317 HydrophobicContact CG-CG2 4.1Å
318	K	98.6	Very high	96.4	Very high	104 Å²	104	28.6 Å²	28.6	45%	0.452	16%	0.158	S	C	.	.	S	Bend	trans	-84.1	154.2	167.7	-71.5	-175	177.4	-157.8	0	111	G32 K294 A295 T316 T320	G32-K318 WeakPolarHBondContact CA-O 3.45Å; K294-K318 HydrophobicContact CB-CD 4.41Å; A295-K318 HydrophobicContact CB-CB 4.42Å; A295-K318 HydrophobicContact CB-CD 4.08Å; A295-K318 HydrophobicContact CB-CG 3.75Å; T316-K318 PolarHBondContact O-N 3.23Å; T316-K318 VanDerWaalsContact O-O 3.13Å; T316-K318 PolarHBondContact OG1-N 2.79Å; T316-K318 VanDerWaalsContact OG1-N 3.09Å; K318-T320 VanDerWaalsContact C-N 3.27Å; K318-T320 PolarHBondContact O-N 2.97Å
319	S	98.6	Very high	95.9	Very high	12 Å²	12	26 Å²	26	8%	0.084	14%	0.14	C	C	.	.	S	Bend	trans	-71.2	-16.7	179.2	49.3	0	0	0	0	115	N29 N31 G359 G360	N29-S319 WeakPolarHBondContact O-CB 3.15Å; N31-S319 WeakPolarHBondContact O-CA 2.94Å; S319-G359 WeakPolarHBondContact OG-CA 3.28Å; S319-G360 WeakPolarHBondContact CB-O 3.14Å; S319-G360 PolarHBondContact OG-O 3.21Å
320	T	98.7	Very high	94.9	Very high	42 Å²	42	30.8 Å²	30.8	26%	0.258	16%	0.161	S	C	.	.			trans	-78.2	138.5	177.1	-54.4	0	0	0	0	110.2	K318 V356 I357 G359	K318-T320 VanDerWaalsContact C-N 3.27Å; K318-T320 PolarHBondContact O-N 2.97Å; T320-V356 HydrophobicContact CG2-CG1 3.39Å; T320-I357 WeakPolarHBondContact CA-O 3.43Å; T320-I357 VanDerWaalsContact CG2-O 3.28Å; T320-I357 WeakPolarHBondContact CG2-O 3.37Å; T320-G359 PolarHBondContact OG1-N 2.96Å
321	V	98.8	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.3	177.4	-175.9	0	0	0	0	109.2	V33 L36 L45 T47 W313 V314 I357	V33-V321 HydrophobicContact CB-CG2 4.18Å; V33-V321 HydrophobicContact CG1-CG2 4.47Å; V33-V321 HydrophobicContact CG2-CG2 3.67Å; L36-V321 HydrophobicContact CD1-CG1 4.41Å; L36-V321 HydrophobicContact CD2-CG1 4.01Å; L45-V321 HydrophobicContact CD2-CG1 4.27Å; T47-V321 HydrophobicContact CG2-CG2 4.03Å; W313-V321 HydrophobicContact CE3-CG1 4.03Å; V314-V321 WeakPolarHBondContact O-CG1 3.17Å; V321-I357 HydrophobicContact CB-CB 4.2Å; V321-I357 PolarHBondContact N-O 2.77Å; V321-I357 VanDerWaalsContact N-O 3.09Å; V321-I357 PolarHBondContact O-N 3.37Å
322	N	98.6	Very high	91.6	Very high	16 Å²	16	38.9 Å²	38.9	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.3	-171.9	-64.3	-32.2	0	0	0	111.2	E293 W313 V314 P353	E293-N322 WeakPolarHBondContact OE1-CB 3.4Å; E293-N322 PolarHBondContact OE1-ND2 3.28Å; E293-N322 PolarHBondContact OE2-ND2 2.76Å; E293-N322 VanDerWaalsContact OE2-ND2 3.16Å; W313-N322 CarbonylContact C-O 3.6Å; W313-N322 WeakPolarHBondContact CA-O 3.33Å; V314-N322 PolarHBondContact N-O 3.23Å; V314-N322 PolarHBondContact O-N 3.03Å; N322-P353 HydrophobicContact CB-CB 4Å
323	K	98.4	Very high	89.8	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.078	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.5	167	-167.6	-176.4	70.8	-175.4	0	109.2	A311 I312 W313 P353 D354 Q355	A311-K323 HydrophobicContact CB-CD 4.09Å; A311-K323 HydrophobicContact CB-CG 3.95Å; I312-K323 WeakPolarHBondContact O-CA 3.49Å; W313-K323 HydrophobicContact CD2-CB 3.82Å; W313-K323 HydrophobicContact CD2-CD 4.38Å; W313-K323 HydrophobicContact CD2-CG 3.96Å; W313-K323 HydrophobicContact CE3-CB 3.72Å; W313-K323 HydrophobicContact CE3-CG 4.38Å; W313-K323 HydrophobicContact CG-CG 4.37Å; W313-K323 HydrophobicContact CH2-CB 3.88Å; W313-K323 HydrophobicContact CH2-CD 4.29Å; W313-K323 HydrophobicContact CH2-CG 4.48Å; W313-K323 HydrophobicContact CZ2-CB 3.94Å; W313-K323 HydrophobicContact CZ2-CD 3.6Å; W313-K323 HydrophobicContact CZ2-CG 4.04Å; W313-K323 HydrophobicContact CZ3-CB 3.77Å; K323-P353 CarbonylContact O-C 3.57Å; K323-P353 WeakPolarHBondContact O-CA 2.86Å; K323-P353 WeakPolarHBondContact O-CB 3.03Å; K323-D354 WeakPolarHBondContact CE-OD2 3.46Å; K323-D354 IonicContact NZ-OD2 2.75Å; K323-D354 PolarHBondContact NZ-OD2 3.13Å; K323-D354 PolarHBondContact O-N 2.75Å; K323-Q355 HydrophobicContact CB-CB 3.9Å; K323-Q355 HydrophobicContact CD-CB 4.37Å; K323-Q355 PolarHBondContact N-O 3.29Å; K323-Q355 PolarHBondContact O-N 3.3Å
324	W	98.1	Very high	87.7	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.038	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.8	177.5	-60.8	90.8	0	0	0	109.5	I290 C291 E293 A311 I312 C350 P353	I290-W324 HydrophobicContact CG2-CB 4.32Å; C291-W324 HydrophobicContact CB-CD2 3.92Å; C291-W324 HydrophobicContact CB-CE3 3.64Å; C291-W324 HydrophobicContact CB-CH2 3.85Å; C291-W324 HydrophobicContact CB-CZ2 4.14Å; C291-W324 HydrophobicContact CB-CZ3 3.59Å; C291-W324 VanDerWaalsContact SG-CD2 3.52Å; C291-W324 VanDerWaalsContact SG-CE2 3.52Å; E293-W324 PolarHBondContact OE1-NE1 3.16Å; A311-W324 CarbonylContact C-O 3.6Å; A311-W324 VanDerWaalsContact CA-O 3.24Å; A311-W324 WeakPolarHBondContact CA-O 3.27Å; A311-W324 WeakPolarHBondContact CB-O 3.42Å; I312-W324 HydrophobicContact CG2-CB 3.96Å; I312-W324 PolarHBondContact N-O 3.22Å; I312-W324 PolarHBondContact O-N 3.18Å; W324-C350 HydrophobicContact CE3-CB 3.59Å; W324-C350 HydrophobicContact CZ3-CB 3.89Å; W324-P353 HydrophobicContact CD2-CB 4.23Å; W324-P353 HydrophobicContact CE3-CB 4.37Å; W324-P353 HydrophobicContact CH2-CB 4.49Å; W324-P353 HydrophobicContact CZ2-CB 4.32Å
325	T	96.6	Very high	85.5	Confident	38 Å²	38	48.9 Å²	48.9	23%	0.233	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.5	176.5	-171.9	0	0	0	0	110.5	P310 K327 C350	P310-T325 PolarHBondContact O-OG1 3.3Å; T325-K327 WeakPolarHBondContact OG1-CG 3.37Å; T325-K327 PolarHBondContact OG1-N 3.41Å; T325-C350 PolarHBondContact O-SG 2.76Å; T325-C350 VanDerWaalsContact O-SG 3.37Å
326	L	95.7	Very high	83.2	Confident	8 Å²	8	51 Å²	51	4%	0.042	29%	0.288	C	S	.	.			trans	-106	6.2	174.5	-59.4	179.6	0	0	0	111.5	Y268 I290 L302 P309 P310 I312 G328 I329	Y268-L326 HydrophobicContact CD1-CD1 4.4Å; Y268-L326 HydrophobicContact CE1-CD1 3.66Å; Y268-L326 HydrophobicContact CE1-CD2 4.33Å; I290-L326 HydrophobicContact CD1-CD2 3.54Å; I290-L326 HydrophobicContact CG1-CD2 3.94Å; I290-L326 HydrophobicContact CG2-CD2 3.92Å; L302-L326 HydrophobicContact CD2-CD1 3.82Å; P309-L326 HydrophobicContact CB-CD1 4.34Å; P309-L326 HydrophobicContact CG-CD1 4.08Å; P309-L326 WeakPolarHBondContact O-CB 3.44Å; P310-L326 PolarHBondContact O-N 3.4Å; I312-L326 HydrophobicContact CB-CD1 4.2Å; I312-L326 HydrophobicContact CB-CD2 4.48Å; I312-L326 HydrophobicContact CB-CG 4.48Å; I312-L326 HydrophobicContact CG2-CD2 3.9Å; I312-L326 HydrophobicContact CG2-CG 4.32Å; L326-G328 PolarHBondContact O-N 2.76Å; L326-I329 HydrophobicContact CB-CD1 3.8Å; L326-I329 HydrophobicContact CD2-CD1 4Å; L326-I329 HydrophobicContact CG-CD1 4.34Å; L326-I329 WeakPolarHBondContact O-CG1 3.16Å; L326-I329 PolarHBondContact O-N 3.12Å
327	K	88.1	Confident	80.8	Confident	160 Å²	160	56.9 Å²	56.9	70%	0.696	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	130.4	173.2	-67.1	-178.8	-179.1	179.9	0	108.8	T325	T325-K327 WeakPolarHBondContact OG1-CG 3.37Å; T325-K327 PolarHBondContact OG1-N 3.41Å
328	G	81.4	Confident	78.5	Confident	29 Å²	29	61 Å²	61	30%	0.299	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	-4.2	179.7	0	0	0	0	0	115.8	L326 H330 N331 F332	L326-G328 PolarHBondContact O-N 2.76Å; G328-H330 PolarHBondContact O-N 3.21Å; G328-H330 VanDerWaalsContact O-N 3.17Å; G328-N331 PolarHBondContact O-N 3.44Å; G328-F332 PolarHBondContact O-N 2.93Å; G328-F332 VanDerWaalsContact O-N 3.12Å
329	I	81.7	Confident	76	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-53.6	-38.2	175.2	-74.8	177.4	0	0	0	112.1	Y268 C278 L326 R333 L349	Y268-I329 HydrophobicContact CE1-CD1 4.41Å; C278-I329 HydrophobicContact CB-CD1 4.49Å; L326-I329 HydrophobicContact CB-CD1 3.8Å; L326-I329 HydrophobicContact CD2-CD1 4Å; L326-I329 HydrophobicContact CG-CD1 4.34Å; L326-I329 WeakPolarHBondContact O-CG1 3.16Å; L326-I329 PolarHBondContact O-N 3.12Å; I329-R333 WeakPolarHBondContact O-CG 3.16Å; I329-R333 PolarHBondContact O-N 3.04Å; I329-L349 HydrophobicContact CG1-CD2 3.77Å
330	H	73.3	Confident	73.6	Confident	108 Å²	108	66.8 Å²	66.8	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-68.8	-35.4	177.9	-64.1	-63.9	0	0	0	113.3	P308 G328 R333 A334	P308-H330 WeakPolarHBondContact CG-NE2 3.35Å; G328-H330 PolarHBondContact O-N 3.21Å; G328-H330 VanDerWaalsContact O-N 3.17Å; H330-R333 PolarHBondContact O-N 3.22Å; H330-A334 PolarHBondContact O-N 3.48Å
331	N	66.3	Low	70.9	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	38%	0.38	S	S	*	.	H	α-helix	trans	-69.9	-38.6	180	-64.5	0.3	0	0	0	110.4	G328 R333 A334 S335	G328-N331 PolarHBondContact O-N 3.44Å; N331-R333 VanDerWaalsContact C-N 3.27Å; N331-R333 PolarHBondContact O-N 2.91Å; N331-A334 PolarHBondContact O-N 3.36Å; N331-S335 PolarHBondContact O-N 2.81Å
332	F	59.3	Low	68.4	Low	76 Å²	76	76.5 Å²	76.5	33%	0.333	43%	0.425	S	S	.	.	H	α-helix	trans	-64.1	-34.4	177.3	-149.8	-87.8	0	0	0	112	V288 G328 A334 S335	V288-F332 HydrophobicContact CG1-CD1 4.39Å; V288-F332 HydrophobicContact CG2-CD1 4.34Å; G328-F332 PolarHBondContact O-N 2.93Å; G328-F332 VanDerWaalsContact O-N 3.12Å; F332-A334 VanDerWaalsContact C-N 3.35Å; F332-A334 PolarHBondContact O-N 3.21Å; F332-S335 PolarHBondContact O-N 2.82Å
333	R	59	Low	66	Low	52 Å²	52	81 Å²	81	20%	0.196	45%	0.453	C	S	.	.	H	α-helix	trans	-68.4	-30.3	175.6	-73.7	175.8	172	-159	-11.2	114.1	H266 D280 I286 I329 H330 N331	H266-R333 PolarHBondContact CD2-NH2 3.19Å; H266-R333 PolarHBondContact NE2-NH1 3.25Å; H266-R333 PolarHBondContact NE2-NH2 3.33Å; D280-R333 IonicContact OD2-NH1 3.04Å; I286-R333 HydrophobicContact CG2-CG 3.99Å; I329-R333 WeakPolarHBondContact O-CG 3.16Å; I329-R333 PolarHBondContact O-N 3.04Å; H330-R333 PolarHBondContact O-N 3.22Å; N331-R333 VanDerWaalsContact C-N 3.27Å; N331-R333 PolarHBondContact O-N 2.91Å
334	A	56.1	Low	63.6	Low	87 Å²	87	84.5 Å²	84.5	72%	0.719	47%	0.473	S	S	*	.	H	α-helix	trans	-80.9	-17.9	-179.5	0	0	0	0	0	112.9	H330 N331 F332 G336	H330-A334 PolarHBondContact O-N 3.48Å; N331-A334 PolarHBondContact O-N 3.36Å; F332-A334 VanDerWaalsContact C-N 3.35Å; F332-A334 PolarHBondContact O-N 3.21Å; A334-G336 PolarHBondContact O-N 2.89Å
335	S	52.6	Low	61.9	Low	72 Å²	72	89.6 Å²	89.6	50%	0.503	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.5	-176.6	-164.8	0	0	0	0	114	N331 F332 D337	N331-S335 PolarHBondContact O-N 2.81Å; F332-S335 PolarHBondContact O-N 2.82Å; S335-D337 PolarHBondContact O-N 2.7Å; S335-D337 VanDerWaalsContact O-N 3.1Å; S335-D337 PolarHBondContact OG-OD2 2.79Å
336	G	50.4	Low	61.1	Low	44 Å²	44	90.6 Å²	90.6	45%	0.454	51%	0.51	S	S	.	.			trans	67	11.1	173.6	0	0	0	0	0	115.2	A334 Y338	A334-G336 PolarHBondContact O-N 2.89Å; G336-Y338 PolarHBondContact O-N 3.21Å
337	D	47.5	Very low	60.8	Low	126 Å²	126	94.8 Å²	94.8	67%	0.674	54%	0.536	S	S	*	.			trans	-71.7	62.8	168.1	-68.7	-35.8	0	0	0	109.5	S335 D339	S335-D337 PolarHBondContact O-N 2.7Å; S335-D337 VanDerWaalsContact O-N 3.1Å; S335-D337 PolarHBondContact OG-OD2 2.79Å; D337-D339 PolarHBondContact O-N 3.3Å
338	Y	51.2	Low	61	Low	138 Å²	138	89.3 Å²	89.3	54%	0.541	52%	0.517	S	S	.	.			trans	-75.4	73.7	160.6	-62.4	-76.1	0	0	0	106.7	I286 G336 N340	I286-Y338 HydrophobicContact CG1-CE1 4.25Å; G336-Y338 PolarHBondContact O-N 3.21Å; Y338-N340 PolarHBondContact O-N 2.83Å
339	D	45.3	Very low	61.5	Low	92 Å²	92	90 Å²	90	49%	0.492	51%	0.514	S	S	.	.			trans	-66	90.2	166.8	-108.4	-11.3	0	0	0	107	D337 D341 N344	D337-D339 PolarHBondContact O-N 3.3Å; D339-D341 PolarHBondContact O-N 2.96Å; D339-N344 VanDerWaalsContact OD2-CB 3.31Å; D339-N344 WeakPolarHBondContact OD2-CB 3.32Å; D339-N344 PolarHBondContact OD2-ND2 2.89Å
340	N	48.1	Very low	62.1	Low	145 Å²	145	90.1 Å²	90.1	78%	0.775	52%	0.516	S	S	*	.			trans	-67.8	-8.7	165.4	-87.3	-25.5	0	0	0	111.4	Y338 C342	Y338-N340 PolarHBondContact O-N 2.83Å; N340-C342 PolarHBondContact O-N 2.96Å
341	D	41.8	Very low	63.1	Low	107 Å²	107	90.9 Å²	90.9	57%	0.572	53%	0.528	S	S	*	.			trans	-84.3	110.3	171.8	-83.7	-22.4	0	0	0	110.3	D339 T343	D339-D341 PolarHBondContact O-N 2.96Å; D341-T343 PolarHBondContact O-N 3.3Å
342	C	47.2	Very low	64.5	Low	138 Å²	138	92 Å²	92	93%	0.932	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	10.2	173.8	-56.3	0	0	0	0	114.4	N340	N340-C342 PolarHBondContact O-N 2.96Å
343	T	47.1	Very low	66.3	Low	111 Å²	111	90.4 Å²	90.4	68%	0.681	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-21.9	-173.1	55.6	0	0	0	0	113.9	D341	D341-T343 PolarHBondContact O-N 3.3Å
344	N	49.2	Very low	68	Low	92 Å²	92	91.8 Å²	91.8	49%	0.492	54%	0.538	S	S	.	.	S	Bend	trans	-95.5	129	-179.5	-67.4	-17	0	0	0	111.2	D339 I346	D339-N344 VanDerWaalsContact OD2-CB 3.31Å; D339-N344 WeakPolarHBondContact OD2-CB 3.32Å; D339-N344 PolarHBondContact OD2-ND2 2.89Å; N344-I346 PolarHBondContact O-N 3.46Å
345	P	62.3	Low	69.9	Low	117 Å²	117	88.8 Å²	88.8	76%	0.76	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-65.8	126.3	176	24.5	-30.1	0	0	0	110.5	T347	P345-T347 PolarHBondContact O-N 3.39Å
346	I	80	Confident	72.1	Confident	58 Å²	58	88.8 Å²	88.8	30%	0.297	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.5	176.6	-58.4	172.9	0	0	0	109	Y277 L289 N344	Y277-I346 HydrophobicContact CE1-CD1 4.29Å; L289-I346 HydrophobicContact CB-CB 4.41Å; L289-I346 HydrophobicContact CB-CG2 3.66Å; L289-I346 VanDerWaalsContact CD2-O 3.3Å; L289-I346 WeakPolarHBondContact CD2-O 3.31Å; N344-I346 PolarHBondContact O-N 3.46Å
347	T	88.3	Confident	74.4	Confident	96 Å²	96	86.7 Å²	86.7	59%	0.589	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-74.1	131.1	179	-62.1	0	0	0	0	110.3	P345	P345-T347 PolarHBondContact O-N 3.39Å
348	P	93	Very high	76.8	Confident	45 Å²	45	87.5 Å²	87.5	29%	0.292	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-71.3	143.3	179.2	28.6	-34.6	0	0	0	112	L289 C350 T351	L289-P348 HydrophobicContact CD2-CB 3.97Å; L289-P348 HydrophobicContact CG-CB 4.08Å; L289-P348 CarbonylContact O-C 3.55Å; L289-P348 WeakPolarHBondContact O-CA 3.24Å; P348-C350 VanDerWaalsContact C-N 3.31Å; P348-C350 PolarHBondContact O-N 3.14Å; P348-T351 HydrophobicContact CG-CG2 4.47Å
349	L	92.8	Very high	79	Confident	43 Å²	43	82.1 Å²	82.1	23%	0.225	47%	0.468	C	S	.	.	S	Bend	trans	-60.9	-40	173.9	180	66.5	0	0	0	111.9	V288 L289 I290 I329	V288-L349 HydrophobicContact CG1-CB 4.34Å; L289-L349 PolarHBondContact O-N 3.09Å; I290-L349 PolarHBondContact O-N 3.29Å; I329-L349 HydrophobicContact CG1-CD2 3.77Å
350	C	94.1	Very high	81.5	Confident	16 Å²	16	78.5 Å²	78.5	11%	0.108	45%	0.452	C	S	.	.			trans	-126.9	135	-178.1	-65.7	0	0	0	0	111.1	I290 W324 T325 P348	I290-C350 PolarHBondContact O-N 3.18Å; W324-C350 HydrophobicContact CE3-CB 3.59Å; W324-C350 HydrophobicContact CZ3-CB 3.89Å; T325-C350 PolarHBondContact O-SG 2.76Å; T325-C350 VanDerWaalsContact O-SG 3.37Å; P348-C350 VanDerWaalsContact C-N 3.31Å; P348-C350 PolarHBondContact O-N 3.14Å
351	T	94.2	Very high	83.9	Confident	124 Å²	124	72.3 Å²	72.3	76%	0.761	42%	0.422	S	S	*	.	S	Bend	trans	-102.5	-18.5	173.3	55	0	0	0	0	113.1	P348	P348-T351 HydrophobicContact CG-CG2 4.47Å
352	Q	96	Very high	86.6	Confident	153 Å²	153	67.7 Å²	67.7	72%	0.715	40%	0.398	S	S	*	.	S	Bend	trans	-137.1	147.4	175.7	-62.2	-173.7	15.7	0	0	110.9
353	P	97	Very high	89	Confident	42 Å²	42	61.5 Å²	61.5	27%	0.273	36%	0.355	S	S	.	.			trans	-72.1	148.3	176.4	30.1	-35.6	0	0	0	111.9	N322 K323 W324 V356	N322-P353 HydrophobicContact CB-CB 4Å; K323-P353 CarbonylContact O-C 3.57Å; K323-P353 WeakPolarHBondContact O-CA 2.86Å; K323-P353 WeakPolarHBondContact O-CB 3.03Å; W324-P353 HydrophobicContact CD2-CB 4.23Å; W324-P353 HydrophobicContact CE3-CB 4.37Å; W324-P353 HydrophobicContact CH2-CB 4.49Å; W324-P353 HydrophobicContact CZ2-CB 4.32Å; P353-V356 HydrophobicContact CB-CG2 4.07Å; P353-V356 HydrophobicContact CG-CG2 3.38Å
354	D	94.4	Very high	91.5	Very high	81 Å²	81	60.7 Å²	60.7	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	-75.1	-27.3	176.2	174.5	40.9	0	0	0	112	Q61 K323	Q61-D354 PolarHBondContact NE2-OD1 2.76Å; Q61-D354 PolarHBondContact NE2-OD2 3.26Å; K323-D354 WeakPolarHBondContact CE-OD2 3.46Å; K323-D354 IonicContact NZ-OD2 2.75Å; K323-D354 PolarHBondContact NZ-OD2 3.13Å; K323-D354 PolarHBondContact O-N 2.75Å
355	Q	96.2	Very high	93.8	Very high	25 Å²	25	60.2 Å²	60.2	12%	0.117	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	143.3	175.2	-169.8	174.8	-4.3	0	0	110.6	V59 W313 K323	V59-Q355 PolarHBondContact O-NE2 2.76Å; V59-Q355 PolarHBondContact O-OE1 3.38Å; W313-Q355 HydrophobicContact CH2-CB 4.35Å; W313-Q355 HydrophobicContact CH2-CG 4.1Å; K323-Q355 HydrophobicContact CB-CB 3.9Å; K323-Q355 HydrophobicContact CD-CB 4.37Å; K323-Q355 PolarHBondContact N-O 3.29Å; K323-Q355 PolarHBondContact O-N 3.3Å
356	V	97.5	Very high	95.5	Very high	71 Å²	71	56.6 Å²	56.6	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.6	-177.9	-177.7	0	0	0	0	110	T320 P353	T320-V356 HydrophobicContact CG2-CG1 3.39Å; P353-V356 HydrophobicContact CB-CG2 4.07Å; P353-V356 HydrophobicContact CG-CG2 3.38Å
357	I	98.2	Very high	96.4	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.1	165.3	-65.6	167.9	0	0	0	107.4	L45 W57 W313 T320 V321	L45-I357 HydrophobicContact CD2-CD1 3.56Å; W57-I357 HydrophobicContact CB-CD1 3.89Å; W57-I357 HydrophobicContact CD2-CD1 4.11Å; W57-I357 HydrophobicContact CD2-CG1 4.5Å; W57-I357 HydrophobicContact CD2-CG2 3.67Å; W57-I357 HydrophobicContact CE3-CG2 3.66Å; W57-I357 HydrophobicContact CG-CD1 3.73Å; W57-I357 HydrophobicContact CG-CG2 4.4Å; W57-I357 HydrophobicContact CH2-CG2 3.7Å; W57-I357 HydrophobicContact CZ2-CG2 3.69Å; W57-I357 HydrophobicContact CZ3-CG2 3.69Å; W313-I357 HydrophobicContact CE3-CD1 4.5Å; W313-I357 HydrophobicContact CH2-CD1 3.97Å; W313-I357 HydrophobicContact CH2-CG1 4.3Å; W313-I357 HydrophobicContact CZ3-CD1 3.66Å; W313-I357 HydrophobicContact CZ3-CG1 4.04Å; T320-I357 WeakPolarHBondContact CA-O 3.43Å; T320-I357 VanDerWaalsContact CG2-O 3.28Å; T320-I357 WeakPolarHBondContact CG2-O 3.37Å; V321-I357 HydrophobicContact CB-CB 4.2Å; V321-I357 PolarHBondContact N-O 2.77Å; V321-I357 VanDerWaalsContact N-O 3.09Å; V321-I357 PolarHBondContact O-N 3.37Å
358	K	97.9	Very high	96.9	Very high	143 Å²	143	54.5 Å²	54.5	62%	0.622	30%	0.301	S	S	*	.			trans	-60.6	141.1	-177.8	-63	-179.3	-178.3	177.5	0	111.3	Y28	Y28-K358 HydrophobicContact CD1-CB 4Å; Y28-K358 VanDerWaalsContact CD1-O 3.31Å; Y28-K358 WeakPolarHBondContact CD1-O 3.46Å; Y28-K358 HydrophobicContact CE1-CB 3.94Å
359	G	97.8	Very high	97.1	Very high	25 Å²	25	52.7 Å²	52.7	26%	0.258	29%	0.288	S	S	.	.			trans	-105.9	148.4	171	0	0	0	0	0	112	S319 T320	S319-G359 WeakPolarHBondContact OG-CA 3.28Å; T320-G359 PolarHBondContact OG1-N 2.96Å
360	G	97.7	Very high	97.2	Very high	16 Å²	16	52.4 Å²	52.4	17%	0.165	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-83.1	165.9	168.7	0	0	0	0	0	111.7	N29 S319	N29-G360 WeakPolarHBondContact O-CA 3.38Å; N29-G360 PolarHBondContact O-N 2.97Å; S319-G360 WeakPolarHBondContact CB-O 3.14Å; S319-G360 PolarHBondContact OG-O 3.21Å
361	A	98.4	Very high	97.3	Very high	16 Å²	16	52.6 Å²	52.6	13%	0.132	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-78.9	137.7	179.1	0	0	0	0	0	111.7	R30 D379 T380	R30-A361 PolarHBondContact NE-O 3.35Å; R30-A361 PolarHBondContact NH2-O 2.79Å; A361-D379 HydrophobicContact CB-CB 3.94Å; A361-D379 VanDerWaalsContact CB-OD2 3.32Å; A361-D379 WeakPolarHBondContact CB-OD2 3.3Å; A361-T380 WeakPolarHBondContact CA-OG1 3.25Å
362	S	98.7	Very high	97.4	Very high	10 Å²	10	48.3 Å²	48.3	7%	0.07	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-92.1	136.3	174.1	-47.4	0	0	0	0	109.8	R30 N31 I364 D379 T380	R30-S362 VanDerWaalsContact O-CA 3.25Å; R30-S362 WeakPolarHBondContact O-CA 3.44Å; R30-S362 WeakPolarHBondContact O-CB 3.4Å; R30-S362 PolarHBondContact O-OG 3.32Å; N31-S362 WeakPolarHBondContact CA-OG 3.21Å; S362-I364 PolarHBondContact O-N 2.82Å; S362-D379 CarbonylContact O-C 3.59Å; S362-D379 WeakPolarHBondContact O-CA 3.2Å; S362-D379 WeakPolarHBondContact O-CB 3.27Å; S362-T380 PolarHBondContact N-OG1 2.8Å; S362-T380 VanDerWaalsContact N-OG1 3.11Å; S362-T380 PolarHBondContact O-N 3.21Å
363	I	98.7	Very high	97.5	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.8	167.7	-61.7	172.1	0	0	0	108.3	Q365 T377 W387 L424 G427 L429	I363-Q365 WeakPolarHBondContact CG2-O 3.2Å; I363-T377 HydrophobicContact CD1-CG2 4.31Å; I363-T377 HydrophobicContact CG2-CG2 3.85Å; I363-W387 HydrophobicContact CD1-CH2 4.49Å; I363-W387 HydrophobicContact CD1-CZ2 4.08Å; I363-L424 HydrophobicContact CB-CD2 4.28Å; I363-L424 HydrophobicContact CG2-CD1 3.98Å; I363-L424 HydrophobicContact CG2-CD2 3.71Å; I363-L424 HydrophobicContact CG2-CG 4.44Å; I363-G427 PolarHBondContact N-O 3.34Å; I363-L429 HydrophobicContact CD1-CD1 4.31Å; I363-L429 HydrophobicContact CD1-CG 3.8Å
364	I	98.2	Very high	97.6	Very high	94 Å²	94	41.5 Å²	41.5	48%	0.482	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-20.6	-174.1	56.4	168.7	0	0	0	113.4	S362 K378 T380	S362-I364 PolarHBondContact O-N 2.82Å; I364-K378 WeakPolarHBondContact CG1-O 3.32Å; I364-K378 PolarHBondContact N-O 3.47Å; I364-T380 HydrophobicContact CG2-CG2 3.64Å
365	Q	98.4	Very high	97.7	Very high	81 Å²	81	37.7 Å²	37.7	38%	0.379	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.6	171.7	-60.8	-177.4	-65.4	0	0	109.8	I363 T377 K378 F403	I363-Q365 WeakPolarHBondContact CG2-O 3.2Å; Q365-T377 VanDerWaalsContact O-CA 3.27Å; Q365-T377 WeakPolarHBondContact O-CA 3.47Å; Q365-K378 HydrophobicContact CB-CB 4.12Å; Q365-K378 PolarHBondContact N-O 2.89Å; Q365-K378 PolarHBondContact O-N 3.5Å; Q365-K378 VanDerWaalsContact OE1-CD 3.28Å; Q365-F403 HydrophobicContact CB-CE1 3.96Å; Q365-F403 HydrophobicContact CB-CZ 4.14Å
366	C	98.3	Very high	97.9	Very high	42 Å²	42	36.5 Å²	36.5	28%	0.284	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.5	179.6	170.7	0	0	0	0	108.8	I375 L376 L424	C366-I375 WeakPolarHBondContact SG-CG2 3.31Å; C366-L376 CarbonylContact C-O 3.59Å; C366-L376 WeakPolarHBondContact CA-O 3.07Å; C366-L424 HydrophobicContact CB-CD1 3.92Å; C366-L424 HydrophobicContact CB-CD2 4.28Å; C366-L424 HydrophobicContact CB-CG 4.45Å
367	H	98.5	Very high	97.9	Very high	66 Å²	66	33.2 Å²	33.2	31%	0.306	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.6	173.9	-173.8	93.6	0	0	0	109.4	I375 L376 F403 I407	H367-I375 WeakPolarHBondContact O-CA 3.27Å; H367-L376 PolarHBondContact N-O 3.17Å; H367-L376 PolarHBondContact O-N 2.87Å; H367-F403 HydrophobicContact CB-CE1 4.46Å; H367-F403 HydrophobicContact CB-CZ 3.92Å; H367-I407 HydrophobicContact CB-CD1 3.61Å; H367-I407 HydrophobicContact CB-CG1 3.97Å; H367-I407 WeakPolarHBondContact NE2-CG2 3.33Å
368	I	98.3	Very high	97.9	Very high	44 Å²	44	35.4 Å²	35.4	23%	0.226	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.5	176.5	-56.1	167.7	0	0	0	107.9	K372 I375 F420 V422	I368-K372 HydrophobicContact CG2-CD 3.83Å; I368-I375 HydrophobicContact CG1-CD1 4.35Å; I368-I375 HydrophobicContact CG1-CG1 4.15Å; I368-F420 HydrophobicContact CD1-CE2 3.79Å; I368-F420 HydrophobicContact CD1-CZ 4.18Å; I368-F420 HydrophobicContact CG1-CE2 4.12Å; I368-F420 HydrophobicContact CG1-CZ 4.29Å; I368-F420 HydrophobicContact CG2-CE1 4.45Å; I368-F420 HydrophobicContact CG2-CE2 4.33Å; I368-F420 HydrophobicContact CG2-CZ 3.66Å; I368-V422 HydrophobicContact CD1-CG2 3.87Å; I368-V422 HydrophobicContact CG1-CG2 4.17Å
369	L	97.7	Very high	98	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.161	C	C	.	.			trans	-70.4	164.7	179.9	-65.6	173.5	0	0	0	111.8	D371 K372 H374 L376 Y386 R410	L369-D371 PolarHBondContact O-N 3.25Å; L369-D371 VanDerWaalsContact O-N 3.17Å; L369-K372 PolarHBondContact O-N 3.28Å; L369-H374 WeakPolarHBondContact CB-O 3.37Å; L369-H374 HydrophobicContact CD1-CB 3.91Å; L369-H374 PolarHBondContact N-O 3Å; L369-L376 HydrophobicContact CD2-CD1 4.48Å; L369-Y386 HydrophobicContact CD1-CD2 4.37Å; L369-Y386 HydrophobicContact CD1-CE2 3.55Å; L369-R410 HydrophobicContact CD1-CB 4.11Å; L369-R410 HydrophobicContact CD2-CB 4.25Å
370	N	95.4	Very high	98	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.203	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.2	-172.8	-70.3	-7.5	0	0	0	114.6	K372 F411 K412 V414 V416	N370-K372 PolarHBondContact O-N 3.33Å; N370-F411 WeakPolarHBondContact ND2-CD2 3.43Å; N370-F411 WeakPolarHBondContact ND2-CE2 3.39Å; N370-F411 WeakPolarHBondContact ND2-CZ 3.39Å; N370-K412 WeakPolarHBondContact CB-O 3.29Å; N370-K412 PolarHBondContact ND2-O 3.32Å; N370-V414 HydrophobicContact CB-CG2 4.31Å; N370-V414 WeakPolarHBondContact CB-O 3.29Å; N370-V416 PolarHBondContact O-N 3.21Å
371	D	95.2	Very high	98	Very high	19 Å²	19	35 Å²	35	10%	0.102	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.7	174.8	63.9	14.1	0	0	0	113.2	L369 R373 H374 K412 V414	L369-D371 PolarHBondContact O-N 3.25Å; L369-D371 VanDerWaalsContact O-N 3.17Å; D371-R373 PolarHBondContact O-N 3.34Å; D371-R373 VanDerWaalsContact O-N 3.09Å; D371-R373 PolarHBondContact OD1-N 2.76Å; D371-H374 PolarHBondContact OD1-N 2.92Å; D371-H374 IonicContact OD1-ND1 2.73Å; D371-H374 IonicContact OD2-CE1 3.2Å; D371-H374 IonicContact OD2-CG 3.28Å; D371-H374 IonicContact OD2-ND1 2.94Å; D371-H374 PolarHBondContact OD2-ND1 3.18Å; D371-K412 HydrophobicContact CB-CD 4.48Å; D371-K412 IonicContact OD2-NZ 3.1Å; D371-K412 PolarHBondContact OD2-NZ 2.68Å; D371-V414 HydrophobicContact CB-CG2 4.25Å
372	K	97.2	Very high	98	Very high	35 Å²	35	38.2 Å²	38.2	15%	0.152	20%	0.197	C	C	.	.	S	Bend	trans	48.1	37.3	-176.6	-53.6	-59.5	177.3	174.9	0	111.8	I368 L369 N370 V416 N418 W419 F420	I368-K372 HydrophobicContact CG2-CD 3.83Å; L369-K372 PolarHBondContact O-N 3.28Å; N370-K372 PolarHBondContact O-N 3.33Å; K372-V416 HydrophobicContact CB-CB 4Å; K372-V416 HydrophobicContact CB-CG1 3.89Å; K372-V416 WeakPolarHBondContact CE-O 3.35Å; K372-V416 HydrophobicContact CG-CB 3.76Å; K372-V416 HydrophobicContact CG-CG1 4.05Å; K372-V416 WeakPolarHBondContact CG-O 3.45Å; K372-N418 WeakPolarHBondContact CD-OD1 3.21Å; K372-N418 WeakPolarHBondContact CE-OD1 3.31Å; K372-N418 PolarHBondContact NZ-OD1 3.23Å; K372-W419 WeakPolarHBondContact O-CZ2 3.17Å; K372-W419 PolarHBondContact O-NE1 3.03Å; K372-F420 HydrophobicContact CB-CE1 4.41Å; K372-F420 WeakPolarHBondContact O-CE1 3.28Å
373	R	97.7	Very high	98	Very high	27 Å²	27	40.1 Å²	40.1	10%	0.102	21%	0.207	C	C	.	.	S	Bend	trans	-132.1	-37.5	174.1	173.6	172	171.3	-176.1	-10.1	110.7	D371 D388 V389 L390 A448	D371-R373 PolarHBondContact O-N 3.34Å; D371-R373 VanDerWaalsContact O-N 3.09Å; D371-R373 PolarHBondContact OD1-N 2.76Å; R373-D388 WeakPolarHBondContact CG-OD1 3.44Å; R373-D388 IonicContact CZ-OD2 3.64Å; R373-D388 IonicContact NE-OD1 2.72Å; R373-D388 PolarHBondContact NE-OD1 3.46Å; R373-D388 VanDerWaalsContact NE-OD1 3.09Å; R373-D388 IonicContact NE-OD2 3.47Å; R373-D388 PolarHBondContact NE-OD2 3.25Å; R373-D388 IonicContact NH2-OD2 2.76Å; R373-D388 PolarHBondContact NH2-OD2 3.31Å; R373-V389 WeakPolarHBondContact O-CB 3.31Å; R373-V389 VanDerWaalsContact O-CG2 3.25Å; R373-V389 WeakPolarHBondContact O-CG2 3.26Å; R373-V389 PolarHBondContact O-N 3.28Å; R373-L390 HydrophobicContact CG-CB 4.02Å; R373-A448 PolarHBondContact NH1-O 3.16Å
374	H	98.4	Very high	98	Very high	25 Å²	25	39.7 Å²	39.7	12%	0.116	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.1	-178.2	-61.3	98.9	0	0	0	111.8	L369 D371 Y386 W387	L369-H374 WeakPolarHBondContact CB-O 3.37Å; L369-H374 HydrophobicContact CD1-CB 3.91Å; L369-H374 PolarHBondContact N-O 3Å; D371-H374 PolarHBondContact OD1-N 2.92Å; D371-H374 IonicContact OD1-ND1 2.73Å; D371-H374 IonicContact OD2-CE1 3.2Å; D371-H374 IonicContact OD2-CG 3.28Å; D371-H374 IonicContact OD2-ND1 2.94Å; D371-H374 PolarHBondContact OD2-ND1 3.18Å; H374-Y386 HydrophobicContact CB-CD2 4.5Å; H374-Y386 HydrophobicContact CB-CE1 4.41Å; H374-Y386 HydrophobicContact CB-CE2 3.59Å; H374-Y386 VanDerWaalsContact CB-OH 3.3Å; H374-Y386 WeakPolarHBondContact CB-OH 3.4Å; H374-Y386 AromaticContact CD2-CE1 3.47Å; H374-Y386 VanDerWaalsContact CD2-CE1 3.47Å; H374-Y386 WeakPolarHBondContact CD2-CE1 3.4Å; H374-Y386 AromaticContact CD2-CZ 3.35Å; H374-Y386 PolarHBondContact CD2-OH 3.31Å; H374-Y386 AromaticContact CG-CZ 3.44Å; H374-Y386 VanDerWaalsContact CG-CZ 3.44Å; H374-Y386 PolarHBondContact ND1-OH 2.95Å; H374-W387 VanDerWaalsContact CA-O 3.23Å; H374-W387 WeakPolarHBondContact CA-O 3.4Å
375	I	98.4	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.6	175.8	-70.5	176.8	0	0	0	108.8	C366 H367 I368 T377 Y386 W387 V389 F420 V422 L429 I431	C366-I375 WeakPolarHBondContact SG-CG2 3.31Å; H367-I375 WeakPolarHBondContact O-CA 3.27Å; I368-I375 HydrophobicContact CG1-CD1 4.35Å; I368-I375 HydrophobicContact CG1-CG1 4.15Å; I375-T377 HydrophobicContact CG2-CG2 3.72Å; I375-Y386 WeakPolarHBondContact O-CA 3.33Å; I375-W387 HydrophobicContact CB-CB 4.38Å; I375-W387 PolarHBondContact N-O 3.35Å; I375-W387 PolarHBondContact O-N 3.31Å; I375-V389 HydrophobicContact CB-CG2 4.37Å; I375-V389 HydrophobicContact CD1-CG2 3.26Å; I375-V389 HydrophobicContact CG1-CG2 3.51Å; I375-F420 HydrophobicContact CD1-CE2 4.02Å; I375-F420 HydrophobicContact CD1-CZ 4.44Å; I375-V422 HydrophobicContact CD1-CG2 3.74Å; I375-L429 HydrophobicContact CG2-CD2 4.42Å; I375-I431 HydrophobicContact CD1-CD1 4.09Å
376	L	98.6	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.7	160.3	-78.7	171.9	0	0	0	109.7	C366 H367 L369 V384 A385 Y386 L398 F403 E406 I407	C366-L376 CarbonylContact C-O 3.59Å; C366-L376 WeakPolarHBondContact CA-O 3.07Å; H367-L376 PolarHBondContact N-O 3.17Å; H367-L376 PolarHBondContact O-N 2.87Å; L369-L376 HydrophobicContact CD2-CD1 4.48Å; L376-V384 HydrophobicContact CD2-CG1 4Å; L376-A385 WeakPolarHBondContact CA-O 3.37Å; L376-Y386 HydrophobicContact CD2-CD2 3.78Å; L376-Y386 HydrophobicContact CD2-CG 4.43Å; L376-Y386 HydrophobicContact CG-CD2 4.13Å; L376-L398 HydrophobicContact CD2-CD1 3.85Å; L376-F403 HydrophobicContact CB-CE2 3.92Å; L376-E406 HydrophobicContact CD1-CB 4.39Å; L376-E406 HydrophobicContact CD1-CG 4.09Å; L376-E406 HydrophobicContact CD2-CG 4.24Å; L376-I407 HydrophobicContact CD1-CB 4.46Å; L376-I407 HydrophobicContact CD1-CG1 3.8Å
377	T	98.8	Very high	98.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.1	175.4	65	0	0	0	0	112	I363 Q365 I375 V384 A385 W387 L429	I363-T377 HydrophobicContact CD1-CG2 4.31Å; I363-T377 HydrophobicContact CG2-CG2 3.85Å; Q365-T377 VanDerWaalsContact O-CA 3.27Å; Q365-T377 WeakPolarHBondContact O-CA 3.47Å; I375-T377 HydrophobicContact CG2-CG2 3.72Å; T377-V384 WeakPolarHBondContact O-CA 3.43Å; T377-A385 PolarHBondContact N-O 3.07Å; T377-A385 PolarHBondContact O-N 2.94Å; T377-A385 VanDerWaalsContact O-N 3.07Å; T377-W387 PolarHBondContact OG1-NE1 2.6Å; T377-L429 HydrophobicContact CG2-CD1 3.94Å; T377-L429 HydrophobicContact CG2-CD2 3.86Å; T377-L429 HydrophobicContact CG2-CG 4.16Å
378	K	98.7	Very high	98.1	Very high	46 Å²	46	28.6 Å²	28.6	20%	0.2	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.3	166.3	-168	-176.5	-176	174.3	0	110.3	I364 Q365 N382 N383 V384 F403	I364-K378 WeakPolarHBondContact CG1-O 3.32Å; I364-K378 PolarHBondContact N-O 3.47Å; Q365-K378 HydrophobicContact CB-CB 4.12Å; Q365-K378 PolarHBondContact N-O 2.89Å; Q365-K378 PolarHBondContact O-N 3.5Å; Q365-K378 VanDerWaalsContact OE1-CD 3.28Å; K378-N382 WeakPolarHBondContact CE-OD1 3.39Å; K378-N383 WeakPolarHBondContact CA-O 3.49Å; K378-V384 HydrophobicContact CG-CG2 4.46Å; K378-F403 HydrophobicContact CB-CD2 3.9Å; K378-F403 HydrophobicContact CB-CE2 4.21Å; K378-F403 HydrophobicContact CB-CG 4.17Å; K378-F403 HydrophobicContact CD-CB 4.09Å; K378-F403 HydrophobicContact CD-CG 4.4Å
379	D	98.6	Very high	98.1	Very high	23 Å²	23	26.5 Å²	26.5	12%	0.123	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	174.8	179	78.3	9.2	0	0	0	113.6	A361 S362 N381 N382 N383	A361-D379 HydrophobicContact CB-CB 3.94Å; A361-D379 VanDerWaalsContact CB-OD2 3.32Å; A361-D379 WeakPolarHBondContact CB-OD2 3.3Å; S362-D379 CarbonylContact O-C 3.59Å; S362-D379 WeakPolarHBondContact O-CA 3.2Å; S362-D379 WeakPolarHBondContact O-CB 3.27Å; D379-N381 PolarHBondContact O-N 2.92Å; D379-N381 VanDerWaalsContact O-N 3.16Å; D379-N381 VanDerWaalsContact OD1-C 3.27Å; D379-N381 VanDerWaalsContact OD1-CA 3.23Å; D379-N381 WeakPolarHBondContact OD1-CA 3.25Å; D379-N381 WeakPolarHBondContact OD1-CB 3.36Å; D379-N381 PolarHBondContact OD1-N 2.88Å; D379-N382 PolarHBondContact O-N 2.88Å; D379-N382 PolarHBondContact OD1-N 3.12Å; D379-N383 PolarHBondContact N-O 3.34Å; D379-N383 PolarHBondContact OD1-N 3.23Å; D379-N383 PolarHBondContact OD2-ND2 3.2Å
380	T	98.2	Very high	98.1	Very high	65 Å²	65	26.2 Å²	26.2	40%	0.399	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.7	176.5	48.7	0	0	0	0	114.6	A361 S362 I364	A361-T380 WeakPolarHBondContact CA-OG1 3.25Å; S362-T380 PolarHBondContact N-OG1 2.8Å; S362-T380 VanDerWaalsContact N-OG1 3.11Å; S362-T380 PolarHBondContact O-N 3.21Å; I364-T380 HydrophobicContact CG2-CG2 3.64Å
381	N	98.1	Very high	98.2	Very high	88 Å²	88	27.8 Å²	27.8	47%	0.471	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	3.5	174.6	-68.1	-21.3	0	0	0	112.2	D379 N383 K400	D379-N381 PolarHBondContact O-N 2.92Å; D379-N381 VanDerWaalsContact O-N 3.16Å; D379-N381 VanDerWaalsContact OD1-C 3.27Å; D379-N381 VanDerWaalsContact OD1-CA 3.23Å; D379-N381 WeakPolarHBondContact OD1-CA 3.25Å; D379-N381 WeakPolarHBondContact OD1-CB 3.36Å; D379-N381 PolarHBondContact OD1-N 2.88Å; N381-N383 VanDerWaalsContact C-N 3.25Å; N381-N383 PolarHBondContact O-N 3.24Å; N381-K400 WeakPolarHBondContact O-CE 3.11Å
382	N	98.3	Very high	98.4	Very high	84 Å²	84	27 Å²	27	45%	0.449	14%	0.135	S	C	.	.			trans	64.3	21.9	-173	-54	-71.9	0	0	0	114.3	K378 D379	K378-N382 WeakPolarHBondContact CE-OD1 3.39Å; D379-N382 PolarHBondContact O-N 2.88Å; D379-N382 PolarHBondContact OD1-N 3.12Å
383	N	98.6	Very high	98.5	Very high	49 Å²	49	27.3 Å²	27.3	26%	0.262	14%	0.141	S	C	.	.			trans	-79.2	136.5	169.8	-56	-52.5	0	0	0	109.3	K378 D379 N381 G399 K400	K378-N383 WeakPolarHBondContact CA-O 3.49Å; D379-N383 PolarHBondContact N-O 3.34Å; D379-N383 PolarHBondContact OD1-N 3.23Å; D379-N383 PolarHBondContact OD2-ND2 3.2Å; N381-N383 VanDerWaalsContact C-N 3.25Å; N381-N383 PolarHBondContact O-N 3.24Å; N383-G399 CarbonylContact C-O 3.41Å; N383-G399 WeakPolarHBondContact CA-O 3.24Å; N383-K400 WeakPolarHBondContact OD1-CG 3.27Å
384	V	98.7	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.7	172	-175.8	0	0	0	0	108.9	L376 T377 K378 L398 G399 V401 F403	L376-V384 HydrophobicContact CD2-CG1 4Å; T377-V384 WeakPolarHBondContact O-CA 3.43Å; K378-V384 HydrophobicContact CG-CG2 4.46Å; V384-L398 HydrophobicContact CB-CB 4.28Å; V384-L398 HydrophobicContact CG1-CB 4.5Å; V384-L398 HydrophobicContact CG1-CD1 4.05Å; V384-L398 WeakPolarHBondContact O-CA 3.46Å; V384-L398 WeakPolarHBondContact O-CB 3.46Å; V384-L398 PolarHBondContact O-N 2.79Å; V384-G399 PolarHBondContact N-O 3.17Å; V384-G399 PolarHBondContact O-N 2.94Å; V384-V401 HydrophobicContact CB-CG2 3.72Å; V384-V401 HydrophobicContact CG1-CG2 4.27Å; V384-V401 HydrophobicContact CG2-CG2 3.83Å; V384-V401 WeakPolarHBondContact CG2-O 3.31Å; V384-F403 HydrophobicContact CG1-CD2 4.04Å; V384-F403 HydrophobicContact CG2-CB 4.23Å; V384-F403 HydrophobicContact CG2-CD2 4.11Å
385	A	98.8	Very high	98.5	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.2	176.5	0	0	0	0	0	110.7	L376 T377 W387 K394 E396	L376-A385 WeakPolarHBondContact CA-O 3.37Å; T377-A385 PolarHBondContact N-O 3.07Å; T377-A385 PolarHBondContact O-N 2.94Å; T377-A385 VanDerWaalsContact O-N 3.07Å; A385-W387 HydrophobicContact CB-CZ2 3.89Å; A385-W387 PolarHBondContact O-NE1 2.82Å; A385-K394 HydrophobicContact CB-CD 4.34Å; A385-E396 WeakPolarHBondContact CA-O 3.49Å
386	Y	98.6	Very high	98.4	Very high	17 Å²	17	36.3 Å²	36.3	7%	0.067	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	-179.8	-175.1	-111.9	0	0	0	109.7	L369 H374 I375 L376 V395 E396	L369-Y386 HydrophobicContact CD1-CD2 4.37Å; L369-Y386 HydrophobicContact CD1-CE2 3.55Å; H374-Y386 HydrophobicContact CB-CD2 4.5Å; H374-Y386 HydrophobicContact CB-CE1 4.41Å; H374-Y386 HydrophobicContact CB-CE2 3.59Å; H374-Y386 VanDerWaalsContact CB-OH 3.3Å; H374-Y386 WeakPolarHBondContact CB-OH 3.4Å; H374-Y386 AromaticContact CD2-CE1 3.47Å; H374-Y386 VanDerWaalsContact CD2-CE1 3.47Å; H374-Y386 WeakPolarHBondContact CD2-CE1 3.4Å; H374-Y386 AromaticContact CD2-CZ 3.35Å; H374-Y386 PolarHBondContact CD2-OH 3.31Å; H374-Y386 AromaticContact CG-CZ 3.44Å; H374-Y386 VanDerWaalsContact CG-CZ 3.44Å; H374-Y386 PolarHBondContact ND1-OH 2.95Å; I375-Y386 WeakPolarHBondContact O-CA 3.33Å; L376-Y386 HydrophobicContact CD2-CD2 3.78Å; L376-Y386 HydrophobicContact CD2-CG 4.43Å; L376-Y386 HydrophobicContact CG-CD2 4.13Å; Y386-V395 HydrophobicContact CD1-CB 3.73Å; Y386-V395 HydrophobicContact CD1-CG1 3.83Å; Y386-V395 HydrophobicContact CD1-CG2 4.26Å; Y386-V395 HydrophobicContact CE1-CB 4.33Å; Y386-V395 HydrophobicContact CE1-CG1 4.18Å; Y386-V395 HydrophobicContact CE1-CG2 4.49Å; Y386-V395 PolarHBondContact O-N 3.45Å; Y386-E396 HydrophobicContact CD1-CG 4.05Å; Y386-E396 HydrophobicContact CG-CG 4.24Å; Y386-E396 PolarHBondContact N-O 3.43Å; Y386-E396 PolarHBondContact O-N 3.29Å
387	W	98.7	Very high	98.4	Very high	21 Å²	21	41.4 Å²	41.4	8%	0.08	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.1	-168.3	-50.4	80	0	0	0	111	I21 I363 H374 I375 T377 A385 C393 K394 L429	I21-W387 HydrophobicContact CG2-CE3 3.75Å; I21-W387 HydrophobicContact CG2-CZ3 3.87Å; I363-W387 HydrophobicContact CD1-CH2 4.49Å; I363-W387 HydrophobicContact CD1-CZ2 4.08Å; H374-W387 VanDerWaalsContact CA-O 3.23Å; H374-W387 WeakPolarHBondContact CA-O 3.4Å; I375-W387 HydrophobicContact CB-CB 4.38Å; I375-W387 PolarHBondContact N-O 3.35Å; I375-W387 PolarHBondContact O-N 3.31Å; T377-W387 PolarHBondContact OG1-NE1 2.6Å; A385-W387 HydrophobicContact CB-CZ2 3.89Å; A385-W387 PolarHBondContact O-NE1 2.82Å; W387-C393 WeakPolarHBondContact CA-O 3.38Å; W387-K394 HydrophobicContact CD2-CB 4.25Å; W387-K394 HydrophobicContact CD2-CG 4.07Å; W387-K394 HydrophobicContact CE3-CB 3.57Å; W387-K394 HydrophobicContact CE3-CG 3.87Å; W387-K394 HydrophobicContact CH2-CB 4.24Å; W387-K394 HydrophobicContact CH2-CD 4.33Å; W387-K394 HydrophobicContact CH2-CG 4.17Å; W387-K394 HydrophobicContact CZ2-CG 4.34Å; W387-K394 HydrophobicContact CZ3-CB 3.57Å; W387-K394 HydrophobicContact CZ3-CD 4.49Å; W387-K394 HydrophobicContact CZ3-CG 3.93Å; W387-L429 HydrophobicContact CB-CD1 4.25Å; W387-L429 HydrophobicContact CD2-CD1 3.5Å; W387-L429 HydrophobicContact CE3-CD1 3.85Å; W387-L429 HydrophobicContact CG-CD1 3.68Å; W387-L429 HydrophobicContact CZ2-CD1 4.37Å; W387-L429 HydrophobicContact CZ3-CD1 4.39Å
388	D	98.5	Very high	98.4	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.032	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	109.7	170.2	-172.4	-23.5	0	0	0	108.3	R373 L390 K391 A392 C393 V395	R373-D388 WeakPolarHBondContact CG-OD1 3.44Å; R373-D388 IonicContact CZ-OD2 3.64Å; R373-D388 IonicContact NE-OD1 2.72Å; R373-D388 PolarHBondContact NE-OD1 3.46Å; R373-D388 VanDerWaalsContact NE-OD1 3.09Å; R373-D388 IonicContact NE-OD2 3.47Å; R373-D388 PolarHBondContact NE-OD2 3.25Å; R373-D388 IonicContact NH2-OD2 2.76Å; R373-D388 PolarHBondContact NH2-OD2 3.31Å; D388-L390 WeakPolarHBondContact OD1-CB 3.43Å; D388-L390 PolarHBondContact OD1-N 2.99Å; D388-K391 HydrophobicContact CB-CB 4.22Å; D388-K391 PolarHBondContact OD1-N 2.78Å; D388-K391 VanDerWaalsContact OD1-N 3.1Å; D388-K391 WeakPolarHBondContact OD2-CD 3.44Å; D388-A392 WeakPolarHBondContact O-CA 3.41Å; D388-A392 PolarHBondContact O-N 3.49Å; D388-C393 PolarHBondContact N-O 2.96Å; D388-C393 PolarHBondContact O-N 2.76Å; D388-C393 VanDerWaalsContact O-N 3.08Å; D388-V395 HydrophobicContact CB-CG2 3.69Å
389	V	98.7	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-43.3	179.8	176.9	0	0	0	0	110.3	Y19 R373 I375 K391 A392 W419 F420 I431	Y19-V389 WeakPolarHBondContact OH-CG1 3.28Å; Y19-V389 PolarHBondContact OH-O 2.84Å; R373-V389 WeakPolarHBondContact O-CB 3.31Å; R373-V389 VanDerWaalsContact O-CG2 3.25Å; R373-V389 WeakPolarHBondContact O-CG2 3.26Å; R373-V389 PolarHBondContact O-N 3.28Å; I375-V389 HydrophobicContact CB-CG2 4.37Å; I375-V389 HydrophobicContact CD1-CG2 3.26Å; I375-V389 HydrophobicContact CG1-CG2 3.51Å; V389-K391 PolarHBondContact O-N 3.15Å; V389-A392 PolarHBondContact O-N 3.08Å; V389-A392 VanDerWaalsContact O-N 3.14Å; V389-W419 HydrophobicContact CG1-CH2 4.25Å; V389-W419 HydrophobicContact CG1-CZ2 4.44Å; V389-F420 HydrophobicContact CB-CZ 4.38Å; V389-F420 HydrophobicContact CG1-CD1 4.29Å; V389-F420 HydrophobicContact CG1-CD2 4.27Å; V389-F420 HydrophobicContact CG1-CE1 4.15Å; V389-F420 HydrophobicContact CG1-CE2 4.13Å; V389-F420 HydrophobicContact CG1-CG 4.34Å; V389-F420 HydrophobicContact CG1-CZ 4.06Å; V389-F420 HydrophobicContact CG2-CE2 4.15Å; V389-F420 HydrophobicContact CG2-CZ 3.93Å; V389-I431 HydrophobicContact CG1-CD1 4.33Å; V389-I431 HydrophobicContact CG1-CG1 4.27Å; V389-I431 HydrophobicContact CG1-CG2 4Å; V389-I431 HydrophobicContact CG2-CD1 4.5Å
390	L	98.3	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-43.2	-176	-177	66	0	0	0	110.9	R373 D388 A392 W419 F450 L462 L466 F507	R373-L390 HydrophobicContact CG-CB 4.02Å; D388-L390 WeakPolarHBondContact OD1-CB 3.43Å; D388-L390 PolarHBondContact OD1-N 2.99Å; L390-A392 VanDerWaalsContact C-N 3.29Å; L390-W419 HydrophobicContact CD1-CH2 4.27Å; L390-F450 HydrophobicContact CD2-CE2 4.13Å; L390-F450 HydrophobicContact CD2-CZ 4.01Å; L390-L462 HydrophobicContact CD1-CB 4.42Å; L390-L462 WeakPolarHBondContact CD1-O 3.45Å; L390-L462 HydrophobicContact CD2-CD2 4.09Å; L390-L466 HydrophobicContact CD1-CB 4.12Å; L390-L466 WeakPolarHBondContact O-CD1 3.37Å; L390-F507 HydrophobicContact CD1-CE1 3.72Å; L390-F507 HydrophobicContact CD1-CE2 4.37Å; L390-F507 HydrophobicContact CD1-CZ 3.42Å; L390-F507 VanDerWaalsContact CD1-CZ 3.42Å; L390-F507 HydrophobicContact CD2-CD1 4.38Å; L390-F507 HydrophobicContact CD2-CE1 3.83Å; L390-F507 HydrophobicContact CD2-CZ 4.29Å; L390-F507 HydrophobicContact CG-CD1 4.32Å; L390-F507 HydrophobicContact CG-CE1 3.56Å; L390-F507 HydrophobicContact CG-CE2 4.17Å; L390-F507 HydrophobicContact CG-CZ 3.49Å; L390-F507 VanDerWaalsContact CG-CZ 3.49Å; L390-F507 WeakPolarHBondContact O-CE2 3.43Å; L390-F507 WeakPolarHBondContact O-CZ 3.28Å
391	K	98.3	Very high	98.3	Very high	72 Å²	72	48.8 Å²	48.8	31%	0.313	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1.6	176.5	-63.9	-176	177.7	179.5	0	113.7	D388 V389 C393 F507 P510	D388-K391 HydrophobicContact CB-CB 4.22Å; D388-K391 PolarHBondContact OD1-N 2.78Å; D388-K391 VanDerWaalsContact OD1-N 3.1Å; D388-K391 WeakPolarHBondContact OD2-CD 3.44Å; V389-K391 PolarHBondContact O-N 3.15Å; K391-C393 VanDerWaalsContact C-N 3.3Å; K391-C393 PolarHBondContact O-N 3.28Å; K391-F507 HydrophobicContact CG-CB 4.22Å; K391-F507 HydrophobicContact CG-CD2 4.18Å; K391-F507 HydrophobicContact CG-CG 4.21Å; K391-P510 WeakPolarHBondContact O-CD 3.21Å
392	A	98.5	Very high	98.3	Very high	3 Å²	3	49 Å²	49	3%	0.025	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	42.9	-179.8	0	0	0	0	0	114.1	Y19 I21 D388 V389 L390 V509	Y19-A392 HydrophobicContact CD2-CB 4Å; Y19-A392 HydrophobicContact CE2-CB 3.55Å; I21-A392 HydrophobicContact CG1-CB 4.26Å; D388-A392 WeakPolarHBondContact O-CA 3.41Å; D388-A392 PolarHBondContact O-N 3.49Å; V389-A392 PolarHBondContact O-N 3.08Å; V389-A392 VanDerWaalsContact O-N 3.14Å; L390-A392 VanDerWaalsContact C-N 3.29Å; A392-V509 HydrophobicContact CB-CB 4.18Å; A392-V509 HydrophobicContact CB-CG1 3.91Å
393	C	98.3	Very high	98.3	Very high	41 Å²	41	45.5 Å²	45.5	28%	0.277	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.6	-173.7	68.3	0	0	0	0	113.8	W387 D388 K391	W387-C393 WeakPolarHBondContact CA-O 3.38Å; D388-C393 PolarHBondContact N-O 2.96Å; D388-C393 PolarHBondContact O-N 2.76Å; D388-C393 VanDerWaalsContact O-N 3.08Å; K391-C393 VanDerWaalsContact C-N 3.3Å; K391-C393 PolarHBondContact O-N 3.28Å
394	K	98.4	Very high	98.3	Very high	91 Å²	91	48 Å²	48	40%	0.396	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133.3	165.5	-164.9	-170.3	-64.1	-173.6	0	108.9	A385 W387 D397	A385-K394 HydrophobicContact CB-CD 4.34Å; W387-K394 HydrophobicContact CD2-CB 4.25Å; W387-K394 HydrophobicContact CD2-CG 4.07Å; W387-K394 HydrophobicContact CE3-CB 3.57Å; W387-K394 HydrophobicContact CE3-CG 3.87Å; W387-K394 HydrophobicContact CH2-CB 4.24Å; W387-K394 HydrophobicContact CH2-CD 4.33Å; W387-K394 HydrophobicContact CH2-CG 4.17Å; W387-K394 HydrophobicContact CZ2-CG 4.34Å; W387-K394 HydrophobicContact CZ3-CB 3.57Å; W387-K394 HydrophobicContact CZ3-CD 4.49Å; W387-K394 HydrophobicContact CZ3-CG 3.93Å; K394-D397 WeakPolarHBondContact CD-OD1 3.29Å; K394-D397 VanDerWaalsContact CD-OD2 3.31Å; K394-D397 WeakPolarHBondContact CD-OD2 3.45Å; K394-D397 IonicContact NZ-OD1 3.49Å; K394-D397 PolarHBondContact NZ-OD1 3.48Å; K394-D397 IonicContact NZ-OD2 3.89Å; K394-D397 PolarHBondContact NZ-OD2 2.82Å
395	V	98.1	Very high	98.3	Very high	76 Å²	76	52.1 Å²	52.1	46%	0.461	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-49.2	177.4	177.8	0	0	0	0	110.6	Y386 D388	Y386-V395 HydrophobicContact CD1-CB 3.73Å; Y386-V395 HydrophobicContact CD1-CG1 3.83Å; Y386-V395 HydrophobicContact CD1-CG2 4.26Å; Y386-V395 HydrophobicContact CE1-CB 4.33Å; Y386-V395 HydrophobicContact CE1-CG1 4.18Å; Y386-V395 HydrophobicContact CE1-CG2 4.49Å; Y386-V395 PolarHBondContact O-N 3.45Å; D388-V395 HydrophobicContact CB-CG2 3.69Å
396	E	97.6	Very high	98.2	Very high	74 Å²	74	52.6 Å²	52.6	35%	0.346	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	146.5	-179.6	56.1	-178.2	158.6	0	0	111.9	A385 Y386 L398 R410	A385-E396 WeakPolarHBondContact CA-O 3.49Å; Y386-E396 HydrophobicContact CD1-CG 4.05Å; Y386-E396 HydrophobicContact CG-CG 4.24Å; Y386-E396 PolarHBondContact N-O 3.43Å; Y386-E396 PolarHBondContact O-N 3.29Å; E396-L398 HydrophobicContact CG-CD2 3.82Å; E396-L398 HydrophobicContact CG-CG 4.43Å; E396-L398 WeakPolarHBondContact OE2-CD2 3.3Å; E396-R410 IonicContact OE1-CZ 3.1Å; E396-R410 IonicContact OE1-NH1 2.79Å; E396-R410 PolarHBondContact OE1-NH1 3.31Å; E396-R410 IonicContact OE1-NH2 2.71Å; E396-R410 PolarHBondContact OE1-NH2 3.36Å; E396-R410 IonicContact OE2-NH2 3.33Å
397	D	98.2	Very high	98.2	Very high	107 Å²	107	52.7 Å²	52.7	57%	0.572	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.4	168.1	-78.8	-62.5	0	0	0	108.8	K394	K394-D397 WeakPolarHBondContact CD-OD1 3.29Å; K394-D397 VanDerWaalsContact CD-OD2 3.31Å; K394-D397 WeakPolarHBondContact CD-OD2 3.45Å; K394-D397 IonicContact NZ-OD1 3.49Å; K394-D397 PolarHBondContact NZ-OD1 3.48Å; K394-D397 IonicContact NZ-OD2 3.89Å; K394-D397 PolarHBondContact NZ-OD2 2.82Å
398	L	98.2	Very high	98.1	Very high	38 Å²	38	58.1 Å²	58.1	20%	0.199	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-11.2	-177.7	-56.2	179.1	0	0	0	112.4	L376 V384 E396 V401 E406	L376-L398 HydrophobicContact CD2-CD1 3.85Å; V384-L398 HydrophobicContact CB-CB 4.28Å; V384-L398 HydrophobicContact CG1-CB 4.5Å; V384-L398 HydrophobicContact CG1-CD1 4.05Å; V384-L398 WeakPolarHBondContact O-CA 3.46Å; V384-L398 WeakPolarHBondContact O-CB 3.46Å; V384-L398 PolarHBondContact O-N 2.79Å; E396-L398 HydrophobicContact CG-CD2 3.82Å; E396-L398 HydrophobicContact CG-CG 4.43Å; E396-L398 WeakPolarHBondContact OE2-CD2 3.3Å; L398-V401 HydrophobicContact CB-CG2 3.86Å; L398-V401 WeakPolarHBondContact O-CG1 3.46Å; L398-E406 HydrophobicContact CD1-CG 3.6Å
399	G	97.8	Very high	98.1	Very high	27 Å²	27	65.3 Å²	65.3	28%	0.278	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.5	-153.3	-178.5	0	0	0	0	0	112.3	N383 V384 V401	N383-G399 CarbonylContact C-O 3.41Å; N383-G399 WeakPolarHBondContact CA-O 3.24Å; V384-G399 PolarHBondContact N-O 3.17Å; V384-G399 PolarHBondContact O-N 2.94Å; G399-V401 VanDerWaalsContact C-N 3.26Å; G399-V401 PolarHBondContact O-N 3.32Å
400	K	98	Very high	97.9	Very high	166 Å²	166	67.7 Å²	67.7	72%	0.722	34%	0.336	S	S	*	.	S	Bend	trans	-84.7	63.1	-173.8	-62.4	-178.7	-179.4	177	0	112.3	N381 N383	N381-K400 WeakPolarHBondContact O-CE 3.11Å; N383-K400 WeakPolarHBondContact OD1-CG 3.27Å
401	V	98.2	Very high	97.7	Very high	59 Å²	59	72.9 Å²	72.9	36%	0.358	36%	0.359	S	S	.	.			trans	-93.1	163.4	172.9	-63.9	0	0	0	0	111.1	V384 L398 G399 F403	V384-V401 HydrophobicContact CB-CG2 3.72Å; V384-V401 HydrophobicContact CG1-CG2 4.27Å; V384-V401 HydrophobicContact CG2-CG2 3.83Å; V384-V401 WeakPolarHBondContact CG2-O 3.31Å; L398-V401 HydrophobicContact CB-CG2 3.86Å; L398-V401 WeakPolarHBondContact O-CG1 3.46Å; G399-V401 VanDerWaalsContact C-N 3.26Å; G399-V401 PolarHBondContact O-N 3.32Å; V401-F403 PolarHBondContact O-N 2.92Å
402	D	98.2	Very high	97.4	Very high	94 Å²	94	73.7 Å²	73.7	50%	0.503	36%	0.362	S	S	.	.			trans	-68.2	125.6	172.8	-170.2	-73	0	0	0	110.3	E404 D405 E406	D402-E404 PolarHBondContact OD1-N 3.4Å; D402-D405 HydrophobicContact CB-CB 4.15Å; D402-D405 PolarHBondContact OD1-N 3.39Å; D402-E406 WeakPolarHBondContact O-CB 3.38Å; D402-E406 PolarHBondContact O-N 2.6Å; D402-E406 VanDerWaalsContact O-N 3.16Å
403	F	98.2	Very high	96.9	Very high	9 Å²	9	77.6 Å²	77.6	4%	0.039	38%	0.381	C	S	.	.	H	α-helix	trans	-71.2	-39	-173.5	-178.8	-112.4	0	0	0	112.6	Q365 H367 L376 K378 V384 V401 I407	Q365-F403 HydrophobicContact CB-CE1 3.96Å; Q365-F403 HydrophobicContact CB-CZ 4.14Å; H367-F403 HydrophobicContact CB-CE1 4.46Å; H367-F403 HydrophobicContact CB-CZ 3.92Å; L376-F403 HydrophobicContact CB-CE2 3.92Å; K378-F403 HydrophobicContact CB-CD2 3.9Å; K378-F403 HydrophobicContact CB-CE2 4.21Å; K378-F403 HydrophobicContact CB-CG 4.17Å; K378-F403 HydrophobicContact CD-CB 4.09Å; K378-F403 HydrophobicContact CD-CG 4.4Å; V384-F403 HydrophobicContact CG1-CD2 4.04Å; V384-F403 HydrophobicContact CG2-CB 4.23Å; V384-F403 HydrophobicContact CG2-CD2 4.11Å; V401-F403 PolarHBondContact O-N 2.92Å; F403-I407 HydrophobicContact CD1-CD1 3.89Å; F403-I407 HydrophobicContact CE1-CD1 3.6Å; F403-I407 HydrophobicContact CE2-CD1 4.43Å; F403-I407 HydrophobicContact CG-CD1 4.44Å; F403-I407 HydrophobicContact CZ-CD1 3.9Å; F403-I407 WeakPolarHBondContact O-CD1 3.49Å; F403-I407 VanDerWaalsContact O-CG1 3.28Å; F403-I407 WeakPolarHBondContact O-CG1 3.42Å; F403-I407 PolarHBondContact O-N 3.48Å; F403-I407 VanDerWaalsContact O-N 3.16Å
404	E	98.1	Very high	96.6	Very high	101 Å²	101	78.3 Å²	78.3	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-76.3	-35.7	-177.2	-65.4	-62	164	0	0	111.3	D402 I407 K408	D402-E404 PolarHBondContact OD1-N 3.4Å; E404-I407 PolarHBondContact O-N 3.08Å; E404-K408 WeakPolarHBondContact O-CG 3.34Å; E404-K408 PolarHBondContact O-N 3.33Å; E404-K408 VanDerWaalsContact O-N 3.17Å
405	D	97.9	Very high	96.4	Very high	88 Å²	88	77.6 Å²	77.6	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-71.3	-35.3	175.9	-69.8	-19	0	0	0	112.1	D402 I407 K408 K409	D402-D405 HydrophobicContact CB-CB 4.15Å; D402-D405 PolarHBondContact OD1-N 3.39Å; D405-I407 VanDerWaalsContact C-N 3.34Å; D405-K408 PolarHBondContact O-N 3.16Å; D405-K408 IonicContact OD1-NZ 3.29Å; D405-K408 PolarHBondContact OD1-NZ 3.32Å; D405-K409 WeakPolarHBondContact O-CB 3.15Å; D405-K409 PolarHBondContact O-N 2.93Å
406	E	98	Very high	96.2	Very high	15 Å²	15	74.4 Å²	74.4	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-68.3	-33.6	174.6	-167.2	64.3	-158.6	0	0	112	L376 L398 D402 K409 R410	L376-E406 HydrophobicContact CD1-CB 4.39Å; L376-E406 HydrophobicContact CD1-CG 4.09Å; L376-E406 HydrophobicContact CD2-CG 4.24Å; L398-E406 HydrophobicContact CD1-CG 3.6Å; D402-E406 WeakPolarHBondContact O-CB 3.38Å; D402-E406 PolarHBondContact O-N 2.6Å; D402-E406 VanDerWaalsContact O-N 3.16Å; E406-K409 PolarHBondContact O-N 3.26Å; E406-K409 IonicContact OE1-NZ 2.67Å; E406-K409 WeakPolarHBondContact OE2-CD 3.37Å; E406-K409 IonicContact OE2-NZ 2.76Å; E406-K409 PolarHBondContact OE2-NZ 2.8Å; E406-R410 WeakPolarHBondContact O-CG 3.39Å; E406-R410 PolarHBondContact O-N 3Å; E406-R410 VanDerWaalsContact O-N 3.09Å; E406-R410 IonicContact OE1-CZ 3.28Å; E406-R410 IonicContact OE1-NE 2.96Å; E406-R410 PolarHBondContact OE1-NE 2.7Å; E406-R410 IonicContact OE1-NH2 2.77Å; E406-R410 PolarHBondContact OE1-NH2 3.2Å; E406-R410 VanDerWaalsContact OE1-NH2 3.1Å
407	I	97.9	Very high	96	Very high	18 Å²	18	71.8 Å²	71.8	9%	0.092	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-50	170.2	-72.4	162.9	0	0	0	110.5	H367 L376 F403 E404 D405 K409 R410 F411	H367-I407 HydrophobicContact CB-CD1 3.61Å; H367-I407 HydrophobicContact CB-CG1 3.97Å; H367-I407 WeakPolarHBondContact NE2-CG2 3.33Å; L376-I407 HydrophobicContact CD1-CB 4.46Å; L376-I407 HydrophobicContact CD1-CG1 3.8Å; F403-I407 HydrophobicContact CD1-CD1 3.89Å; F403-I407 HydrophobicContact CE1-CD1 3.6Å; F403-I407 HydrophobicContact CE2-CD1 4.43Å; F403-I407 HydrophobicContact CG-CD1 4.44Å; F403-I407 HydrophobicContact CZ-CD1 3.9Å; F403-I407 WeakPolarHBondContact O-CD1 3.49Å; F403-I407 VanDerWaalsContact O-CG1 3.28Å; F403-I407 WeakPolarHBondContact O-CG1 3.42Å; F403-I407 PolarHBondContact O-N 3.48Å; F403-I407 VanDerWaalsContact O-N 3.16Å; E404-I407 PolarHBondContact O-N 3.08Å; D405-I407 VanDerWaalsContact C-N 3.34Å; I407-K409 PolarHBondContact O-N 3.33Å; I407-R410 PolarHBondContact O-N 3.22Å; I407-F411 PolarHBondContact O-N 3.01Å
408	K	97.3	Very high	96	Very high	136 Å²	136	70.9 Å²	70.9	59%	0.591	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-43.5	179.3	-66.3	169.5	-159.1	152.9	0	111.6	E404 D405 R410 F411	E404-K408 WeakPolarHBondContact O-CG 3.34Å; E404-K408 PolarHBondContact O-N 3.33Å; E404-K408 VanDerWaalsContact O-N 3.17Å; D405-K408 PolarHBondContact O-N 3.16Å; D405-K408 IonicContact OD1-NZ 3.29Å; D405-K408 PolarHBondContact OD1-NZ 3.32Å; K408-R410 PolarHBondContact O-N 2.89Å; K408-F411 VanDerWaalsContact O-CB 3.25Å; K408-F411 WeakPolarHBondContact O-CB 3.41Å; K408-F411 PolarHBondContact O-N 3.06Å
409	K	97.2	Very high	95.9	Very high	157 Å²	157	69.1 Å²	69.1	68%	0.683	34%	0.335	S	S	*	.	H	α-helix	trans	-60.8	-33.4	179.1	-175.5	-171.6	173.6	-166.6	0	112.5	D405 E406 I407	D405-K409 WeakPolarHBondContact O-CB 3.15Å; D405-K409 PolarHBondContact O-N 2.93Å; E406-K409 PolarHBondContact O-N 3.26Å; E406-K409 IonicContact OE1-NZ 2.67Å; E406-K409 WeakPolarHBondContact OE2-CD 3.37Å; E406-K409 IonicContact OE2-NZ 2.76Å; E406-K409 PolarHBondContact OE2-NZ 2.8Å; I407-K409 PolarHBondContact O-N 3.33Å
410	R	95.9	Very high	96	Very high	49 Å²	49	68.2 Å²	68.2	19%	0.185	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10	179.8	-64.9	-171.3	-177.3	-110.7	-10.5	114.1	L369 E396 E406 I407 K408 K412	L369-R410 HydrophobicContact CD1-CB 4.11Å; L369-R410 HydrophobicContact CD2-CB 4.25Å; E396-R410 IonicContact OE1-CZ 3.1Å; E396-R410 IonicContact OE1-NH1 2.79Å; E396-R410 PolarHBondContact OE1-NH1 3.31Å; E396-R410 IonicContact OE1-NH2 2.71Å; E396-R410 PolarHBondContact OE1-NH2 3.36Å; E396-R410 IonicContact OE2-NH2 3.33Å; E406-R410 WeakPolarHBondContact O-CG 3.39Å; E406-R410 PolarHBondContact O-N 3Å; E406-R410 VanDerWaalsContact O-N 3.09Å; E406-R410 IonicContact OE1-CZ 3.28Å; E406-R410 IonicContact OE1-NE 2.96Å; E406-R410 PolarHBondContact OE1-NE 2.7Å; E406-R410 IonicContact OE1-NH2 2.77Å; E406-R410 PolarHBondContact OE1-NH2 3.2Å; E406-R410 VanDerWaalsContact OE1-NH2 3.1Å; I407-R410 PolarHBondContact O-N 3.22Å; K408-R410 PolarHBondContact O-N 2.89Å; R410-K412 PolarHBondContact O-N 2.79Å
411	F	93.7	Very high	96	Very high	110 Å²	110	63.2 Å²	63.2	48%	0.482	31%	0.31	S	S	.	.			trans	-60.9	126.8	175.9	-178.4	-88.3	0	0	0	110.4	N370 I407 K408 M413 F660	N370-F411 WeakPolarHBondContact ND2-CD2 3.43Å; N370-F411 WeakPolarHBondContact ND2-CE2 3.39Å; N370-F411 WeakPolarHBondContact ND2-CZ 3.39Å; I407-F411 PolarHBondContact O-N 3.01Å; K408-F411 VanDerWaalsContact O-CB 3.25Å; K408-F411 WeakPolarHBondContact O-CB 3.41Å; K408-F411 PolarHBondContact O-N 3.06Å; F411-M413 HydrophobicContact CE1-CB 4.26Å; F411-M413 HydrophobicContact CE1-SD 3.88Å; F411-M413 HydrophobicContact CZ-SD 4.11Å; F411-F660 HydrophobicContact CZ-CE1 4.01Å; F411-F660 HydrophobicContact CZ-CZ 4.31Å
412	K	90.9	Very high	96	Very high	88 Å²	88	62.2 Å²	62.2	38%	0.383	30%	0.304	S	S	.	.			trans	-113.5	133.5	171.5	-63.5	178.2	-173.4	169.7	0	108.6	N370 D371 R410 V414	N370-K412 WeakPolarHBondContact CB-O 3.29Å; N370-K412 PolarHBondContact ND2-O 3.32Å; D371-K412 HydrophobicContact CB-CD 4.48Å; D371-K412 IonicContact OD2-NZ 3.1Å; D371-K412 PolarHBondContact OD2-NZ 2.68Å; R410-K412 PolarHBondContact O-N 2.79Å; K412-V414 HydrophobicContact CB-CG2 3.84Å; K412-V414 PolarHBondContact O-N 2.72Å
413	M	89.8	Confident	95.9	Very high	86 Å²	86	59.6 Å²	59.6	42%	0.424	29%	0.29	S	S	.	.	S	Bend	trans	-79.5	61.6	177.4	-165.9	70.1	169	0	0	110.8	F411 T656 F660	F411-M413 HydrophobicContact CE1-CB 4.26Å; F411-M413 HydrophobicContact CE1-SD 3.88Å; F411-M413 HydrophobicContact CZ-SD 4.11Å; M413-T656 WeakPolarHBondContact O-CG2 3.32Å; M413-F660 HydrophobicContact CE-CB 3.52Å; M413-F660 HydrophobicContact CE-CD1 4.24Å; M413-F660 HydrophobicContact CE-CD2 4.42Å; M413-F660 HydrophobicContact CE-CG 3.83Å; M413-F660 HydrophobicContact SD-CB 4.36Å; M413-F660 HydrophobicContact SD-CD1 4.11Å; M413-F660 HydrophobicContact SD-CD2 4.28Å; M413-F660 HydrophobicContact SD-CE1 4.47Å; M413-F660 HydrophobicContact SD-CG 4Å
414	V	92	Very high	95.9	Very high	56 Å²	56	61.3 Å²	61.3	34%	0.339	30%	0.299	S	S	.	.			trans	-134	145.1	-179.8	-62	0	0	0	0	109.1	N370 D371 K412 F660	N370-V414 HydrophobicContact CB-CG2 4.31Å; N370-V414 WeakPolarHBondContact CB-O 3.29Å; D371-V414 HydrophobicContact CB-CG2 4.25Å; K412-V414 HydrophobicContact CB-CG2 3.84Å; K412-V414 PolarHBondContact O-N 2.72Å; V414-F660 WeakPolarHBondContact O-CE2 3.39Å
415	Y	93.2	Very high	95.9	Very high	75 Å²	75	60.1 Å²	60.1	29%	0.294	29%	0.292	S	S	.	.			trans	-116.6	112.7	174.2	176.4	-104.6	0	0	0	110.8	P417 R655 T656 H659	Y415-P417 HydrophobicContact CE1-CG 4.35Å; Y415-R655 HydrophobicContact CD1-CB 4.04Å; Y415-R655 HydrophobicContact CD1-CG 4.22Å; Y415-R655 WeakPolarHBondContact O-CD 3.18Å; Y415-T656 PolarHBondContact N-OG1 3.4Å; Y415-H659 HydrophobicContact CD1-CB 3.95Å; Y415-H659 HydrophobicContact CD2-CB 3.77Å; Y415-H659 AromaticContact CD2-CD2 3.38Å; Y415-H659 WeakPolarHBondContact CD2-CD2 3.46Å; Y415-H659 AromaticContact CD2-CE1 3.62Å; Y415-H659 AromaticContact CD2-CG 3.22Å; Y415-H659 AromaticContact CD2-ND1 3.4Å; Y415-H659 WeakPolarHBondContact CD2-ND1 3.42Å; Y415-H659 AromaticContact CD2-NE2 3.63Å; Y415-H659 HydrophobicContact CE1-CB 4.48Å; Y415-H659 HydrophobicContact CE2-CB 4.31Å; Y415-H659 AromaticContact CE2-CD2 3.97Å; Y415-H659 AromaticContact CE2-CE1 3.38Å; Y415-H659 WeakPolarHBondContact CE2-CE1 3.01Å; Y415-H659 AromaticContact CE2-CG 3.6Å; Y415-H659 AromaticContact CE2-ND1 3.21Å; Y415-H659 WeakPolarHBondContact CE2-ND1 3.45Å; Y415-H659 AromaticContact CE2-NE2 3.84Å; Y415-H659 HydrophobicContact CG-CB 3.55Å; Y415-H659 AromaticContact CG-CD2 3.99Å; Y415-H659 AromaticContact CG-CG 3.59Å; Y415-H659 AromaticContact CZ-ND1 3.76Å
416	V	94.3	Very high	95.9	Very high	10 Å²	10	56.1 Å²	56.1	6%	0.061	27%	0.271	C	S	.	.			trans	-111.8	132.3	169.1	-177.3	0	0	0	0	108.4	N370 K372 A441 V443	N370-V416 PolarHBondContact O-N 3.21Å; K372-V416 HydrophobicContact CB-CB 4Å; K372-V416 HydrophobicContact CB-CG1 3.89Å; K372-V416 WeakPolarHBondContact CE-O 3.35Å; K372-V416 HydrophobicContact CG-CB 3.76Å; K372-V416 HydrophobicContact CG-CG1 4.05Å; K372-V416 WeakPolarHBondContact CG-O 3.45Å; V416-A441 HydrophobicContact CG1-CB 3.65Å; V416-V443 HydrophobicContact CG1-CG2 4.25Å; V416-V443 HydrophobicContact CG2-CG2 4.22Å
417	P	93.8	Very high	95.9	Very high	19 Å²	19	55.5 Å²	55.5	12%	0.123	27%	0.268	C	S	.	.			trans	-58.1	148	174.1	-25.1	35.1	0	0	0	112.1	Y415 A440	Y415-P417 HydrophobicContact CE1-CG 4.35Å; P417-A440 HydrophobicContact CB-CB 3.95Å
418	N	96.8	Very high	95.9	Very high	88 Å²	88	54.7 Å²	54.7	47%	0.471	26%	0.264	S	S	.	.			trans	-61.5	140.2	169.7	-72.6	-26.7	0	0	0	109.9	K372	K372-N418 WeakPolarHBondContact CD-OD1 3.21Å; K372-N418 WeakPolarHBondContact CE-OD1 3.31Å; K372-N418 PolarHBondContact NZ-OD1 3.23Å
419	W	97.8	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.			trans	-142.2	5.9	179.8	62.3	-82.5	0	0	0	113.3	K372 V389 L390 L433 D437 C438 A441 L462 L466	K372-W419 WeakPolarHBondContact O-CZ2 3.17Å; K372-W419 PolarHBondContact O-NE1 3.03Å; V389-W419 HydrophobicContact CG1-CH2 4.25Å; V389-W419 HydrophobicContact CG1-CZ2 4.44Å; L390-W419 HydrophobicContact CD1-CH2 4.27Å; W419-L433 HydrophobicContact CE3-CD2 4.1Å; W419-L433 HydrophobicContact CZ3-CD2 3.98Å; W419-D437 VanDerWaalsContact CA-O 3.32Å; W419-D437 WeakPolarHBondContact CA-O 3.44Å; W419-D437 WeakPolarHBondContact CB-O 3.25Å; W419-C438 WeakPolarHBondContact O-CA 3.16Å; W419-A441 HydrophobicContact CB-CB 3.83Å; W419-A441 HydrophobicContact CD2-CB 4.45Å; W419-A441 HydrophobicContact CG-CB 3.59Å; W419-L462 HydrophobicContact CD2-CB 4.14Å; W419-L462 HydrophobicContact CE3-CB 4.44Å; W419-L462 HydrophobicContact CH2-CB 4.23Å; W419-L462 HydrophobicContact CZ2-CB 3.9Å; W419-L462 HydrophobicContact CZ2-CD1 4.14Å; W419-L462 HydrophobicContact CZ3-CB 4.47Å; W419-L466 HydrophobicContact CH2-CD2 3.87Å; W419-L466 HydrophobicContact CZ3-CB 4.33Å; W419-L466 HydrophobicContact CZ3-CD2 3.62Å
420	F	98.5	Very high	96.1	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	21%	0.206	C	C	.	.			trans	-154.4	163	175.5	66.1	-85.7	0	0	0	109.6	I368 K372 I375 V389 V422 I431 T432 L433	I368-F420 HydrophobicContact CD1-CE2 3.79Å; I368-F420 HydrophobicContact CD1-CZ 4.18Å; I368-F420 HydrophobicContact CG1-CE2 4.12Å; I368-F420 HydrophobicContact CG1-CZ 4.29Å; I368-F420 HydrophobicContact CG2-CE1 4.45Å; I368-F420 HydrophobicContact CG2-CE2 4.33Å; I368-F420 HydrophobicContact CG2-CZ 3.66Å; K372-F420 HydrophobicContact CB-CE1 4.41Å; K372-F420 WeakPolarHBondContact O-CE1 3.28Å; I375-F420 HydrophobicContact CD1-CE2 4.02Å; I375-F420 HydrophobicContact CD1-CZ 4.44Å; V389-F420 HydrophobicContact CB-CZ 4.38Å; V389-F420 HydrophobicContact CG1-CD1 4.29Å; V389-F420 HydrophobicContact CG1-CD2 4.27Å; V389-F420 HydrophobicContact CG1-CE1 4.15Å; V389-F420 HydrophobicContact CG1-CE2 4.13Å; V389-F420 HydrophobicContact CG1-CG 4.34Å; V389-F420 HydrophobicContact CG1-CZ 4.06Å; V389-F420 HydrophobicContact CG2-CE2 4.15Å; V389-F420 HydrophobicContact CG2-CZ 3.93Å; F420-V422 HydrophobicContact CD2-CG2 3.8Å; F420-V422 HydrophobicContact CE2-CG2 3.54Å; F420-I431 HydrophobicContact CB-CG2 3.83Å; F420-I431 HydrophobicContact CD2-CD1 4.5Å; F420-I431 HydrophobicContact CD2-CG2 3.82Å; F420-I431 HydrophobicContact CG-CG2 4.04Å; F420-T432 WeakPolarHBondContact CA-O 3.12Å; F420-L433 HydrophobicContact CB-CD2 3.91Å
421	S	98	Very high	96.2	Very high	61 Å²	61	38.8 Å²	38.8	43%	0.427	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	158.8	169.3	63.8	0	0	0	0	110.2	I431 T432	S421-I431 WeakPolarHBondContact O-CA 3.42Å; S421-T432 PolarHBondContact N-O 2.74Å; S421-T432 PolarHBondContact O-N 3.46Å; S421-T432 WeakPolarHBondContact OG-CB 3.46Å; S421-T432 PolarHBondContact OG-O 3.36Å
422	V	98.3	Very high	96.4	Very high	38 Å²	38	34.1 Å²	34.1	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.9	-179	-174.3	0	0	0	0	109.1	I368 I375 F420 L424 L429 T430 I431	I368-V422 HydrophobicContact CD1-CG2 3.87Å; I368-V422 HydrophobicContact CG1-CG2 4.17Å; I375-V422 HydrophobicContact CD1-CG2 3.74Å; F420-V422 HydrophobicContact CD2-CG2 3.8Å; F420-V422 HydrophobicContact CE2-CG2 3.54Å; V422-L424 HydrophobicContact CG1-CD2 4.21Å; V422-L429 HydrophobicContact CG1-CD2 3.8Å; V422-T430 WeakPolarHBondContact CA-O 3.11Å; V422-I431 HydrophobicContact CB-CD1 4.45Å; V422-I431 HydrophobicContact CG1-CD1 4.2Å; V422-I431 HydrophobicContact CG2-CD1 3.8Å
423	D	96.8	Very high	96.8	Very high	39 Å²	39	30 Å²	30	21%	0.209	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.5	168	85.2	79	0	0	0	111.6	K425 T430	D423-K425 VanDerWaalsContact OD1-CD 3.29Å; D423-K425 WeakPolarHBondContact OD1-CD 3.42Å; D423-K425 WeakPolarHBondContact OD1-CE 3.35Å; D423-K425 WeakPolarHBondContact OD1-CG 3.4Å; D423-K425 PolarHBondContact OD1-N 2.74Å; D423-T430 PolarHBondContact N-O 3.02Å; D423-T430 PolarHBondContact O-N 2.95Å; D423-T430 VanDerWaalsContact O-N 3.15Å; D423-T430 VanDerWaalsContact OD2-CB 3.23Å; D423-T430 WeakPolarHBondContact OD2-CB 3.45Å; D423-T430 VanDerWaalsContact OD2-CG2 3.26Å; D423-T430 WeakPolarHBondContact OD2-CG2 3.31Å
424	L	98.4	Very high	97.1	Very high	46 Å²	46	27 Å²	27	24%	0.241	15%	0.145	C	C	.	.			trans	-113.3	17.1	-178.2	-56.9	-178.9	0	0	0	111.9	I363 C366 V422 T426 G427 L429	I363-L424 HydrophobicContact CB-CD2 4.28Å; I363-L424 HydrophobicContact CG2-CD1 3.98Å; I363-L424 HydrophobicContact CG2-CD2 3.71Å; I363-L424 HydrophobicContact CG2-CG 4.44Å; C366-L424 HydrophobicContact CB-CD1 3.92Å; C366-L424 HydrophobicContact CB-CD2 4.28Å; C366-L424 HydrophobicContact CB-CG 4.45Å; V422-L424 HydrophobicContact CG1-CD2 4.21Å; L424-T426 PolarHBondContact O-N 3.24Å; L424-G427 PolarHBondContact O-N 3.32Å; L424-L429 HydrophobicContact CD2-CD2 3.86Å
425	K	97	Very high	97.3	Very high	76 Å²	76	28.2 Å²	28.2	33%	0.33	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-32.9	-170.8	75.2	-160.7	170.1	167	0	111.6	N31 D76 W77 D423 G427	N31-K425 PolarHBondContact ND2-O 2.83Å; D76-K425 WeakPolarHBondContact OD2-CD 3.27Å; D76-K425 WeakPolarHBondContact OD2-CE 3.3Å; D76-K425 IonicContact OD2-NZ 2.86Å; D76-K425 PolarHBondContact OD2-NZ 2.76Å; W77-K425 PolarHBondContact NE1-O 3.24Å; D423-K425 VanDerWaalsContact OD1-CD 3.29Å; D423-K425 WeakPolarHBondContact OD1-CD 3.42Å; D423-K425 WeakPolarHBondContact OD1-CE 3.35Å; D423-K425 WeakPolarHBondContact OD1-CG 3.4Å; D423-K425 PolarHBondContact OD1-N 2.74Å; K425-G427 VanDerWaalsContact C-N 3.3Å
426	T	97.9	Very high	97.3	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.025	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.7	178.2	59	0	0	0	0	113.2	D51 L424 M428	D51-T426 VanDerWaalsContact CA-O 3.28Å; D51-T426 WeakPolarHBondContact CA-O 3.37Å; D51-T426 WeakPolarHBondContact CB-O 3.46Å; L424-T426 PolarHBondContact O-N 3.24Å; T426-M428 PolarHBondContact O-N 3.17Å; T426-M428 PolarHBondContact OG1-N 3.11Å; T426-M428 PolarHBondContact OG1-O 3.19Å
427	G	98	Very high	97.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	73	4	-168.6	0	0	0	0	0	113.9	I363 L424 K425	I363-G427 PolarHBondContact N-O 3.34Å; L424-G427 PolarHBondContact O-N 3.32Å; K425-G427 VanDerWaalsContact C-N 3.3Å
428	M	98.6	Very high	97.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	-115.8	162.1	172.3	-60.9	174.8	-71.4	0	0	109.1	V20 R22 E26 R30 D51 T426 T430	V20-M428 HydrophobicContact CG1-CB 3.99Å; V20-M428 HydrophobicContact CG1-CE 4.41Å; V20-M428 HydrophobicContact CG1-SD 4.39Å; R22-M428 HydrophobicContact CB-SD 4.11Å; E26-M428 HydrophobicContact CG-SD 3.97Å; R30-M428 HydrophobicContact CB-CG 4.01Å; R30-M428 HydrophobicContact CB-SD 4.43Å; R30-M428 HydrophobicContact CG-CG 4.16Å; R30-M428 HydrophobicContact CG-SD 4.24Å; D51-M428 HydrophobicContact CB-CE 4.18Å; D51-M428 WeakPolarHBondContact O-CE 3.45Å; T426-M428 PolarHBondContact O-N 3.17Å; T426-M428 PolarHBondContact OG1-N 3.11Å; T426-M428 PolarHBondContact OG1-O 3.19Å; M428-T430 PolarHBondContact O-N 3.33Å
429	L	98.6	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	108.3	175.1	-78.3	169.3	0	0	0	109.6	V20 I21 I363 I375 T377 W387 V422 L424	V20-L429 WeakPolarHBondContact CA-O 3.48Å; I21-L429 HydrophobicContact CB-CB 4.1Å; I21-L429 HydrophobicContact CD1-CD1 4.48Å; I21-L429 PolarHBondContact N-O 3.47Å; I363-L429 HydrophobicContact CD1-CD1 4.31Å; I363-L429 HydrophobicContact CD1-CG 3.8Å; I375-L429 HydrophobicContact CG2-CD2 4.42Å; T377-L429 HydrophobicContact CG2-CD1 3.94Å; T377-L429 HydrophobicContact CG2-CD2 3.86Å; T377-L429 HydrophobicContact CG2-CG 4.16Å; W387-L429 HydrophobicContact CB-CD1 4.25Å; W387-L429 HydrophobicContact CD2-CD1 3.5Å; W387-L429 HydrophobicContact CE3-CD1 3.85Å; W387-L429 HydrophobicContact CG-CD1 3.68Å; W387-L429 HydrophobicContact CZ2-CD1 4.37Å; W387-L429 HydrophobicContact CZ3-CD1 4.39Å; V422-L429 HydrophobicContact CG1-CD2 3.8Å; L424-L429 HydrophobicContact CD2-CD2 3.86Å
430	T	98.6	Very high	97.3	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123	168.4	-49.5	0	0	0	0	108.1	Y19 V20 V422 D423 M428	Y19-T430 WeakPolarHBondContact O-CA 3.28Å; V20-T430 HydrophobicContact CG2-CG2 4.29Å; V422-T430 WeakPolarHBondContact CA-O 3.11Å; D423-T430 PolarHBondContact N-O 3.02Å; D423-T430 PolarHBondContact O-N 2.95Å; D423-T430 VanDerWaalsContact O-N 3.15Å; D423-T430 VanDerWaalsContact OD2-CB 3.23Å; D423-T430 WeakPolarHBondContact OD2-CB 3.45Å; D423-T430 VanDerWaalsContact OD2-CG2 3.26Å; D423-T430 WeakPolarHBondContact OD2-CG2 3.31Å; M428-T430 PolarHBondContact O-N 3.33Å
431	I	98.7	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.2	179.7	-50.3	-60.4	0	0	0	107.9	S18 Y19 I21 I375 V389 F420 S421 V422	S18-I431 CarbonylContact C-O 3.47Å; S18-I431 WeakPolarHBondContact CA-O 3.33Å; S18-I431 WeakPolarHBondContact CB-O 3.31Å; Y19-I431 HydrophobicContact CD1-CB 3.95Å; Y19-I431 HydrophobicContact CD1-CG2 4.38Å; Y19-I431 HydrophobicContact CE1-CB 3.36Å; Y19-I431 HydrophobicContact CE1-CG1 4.08Å; Y19-I431 HydrophobicContact CE1-CG2 3.46Å; Y19-I431 VanDerWaalsContact CE1-CG2 3.46Å; Y19-I431 HydrophobicContact CE2-CB 4.15Å; Y19-I431 HydrophobicContact CE2-CG1 3.97Å; Y19-I431 VanDerWaalsContact CZ-CB 3.5Å; Y19-I431 PolarHBondContact N-O 3.45Å; Y19-I431 PolarHBondContact O-N 3.14Å; I21-I431 HydrophobicContact CD1-CG1 4.1Å; I21-I431 HydrophobicContact CG1-CG1 4.43Å; I375-I431 HydrophobicContact CD1-CD1 4.09Å; V389-I431 HydrophobicContact CG1-CD1 4.33Å; V389-I431 HydrophobicContact CG1-CG1 4.27Å; V389-I431 HydrophobicContact CG1-CG2 4Å; V389-I431 HydrophobicContact CG2-CD1 4.5Å; F420-I431 HydrophobicContact CB-CG2 3.83Å; F420-I431 HydrophobicContact CD2-CD1 4.5Å; F420-I431 HydrophobicContact CD2-CG2 3.82Å; F420-I431 HydrophobicContact CG-CG2 4.04Å; S421-I431 WeakPolarHBondContact O-CA 3.42Å; V422-I431 HydrophobicContact CB-CD1 4.45Å; V422-I431 HydrophobicContact CG1-CD1 4.2Å; V422-I431 HydrophobicContact CG2-CD1 3.8Å
432	T	98.6	Very high	96.9	Very high	12 Å²	12	26 Å²	26	7%	0.074	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	-179.3	-61.3	0	0	0	0	111	Q16 S18 F420 S421	Q16-T432 HydrophobicContact CB-CG2 3.9Å; Q16-T432 HydrophobicContact CG-CG2 4.38Å; S18-T432 WeakPolarHBondContact OG-CB 3.31Å; S18-T432 WeakPolarHBondContact OG-CG2 3.39Å; S18-T432 PolarHBondContact OG-OG1 3.05Å; F420-T432 WeakPolarHBondContact CA-O 3.12Å; S421-T432 PolarHBondContact N-O 2.74Å; S421-T432 PolarHBondContact O-N 3.46Å; S421-T432 WeakPolarHBondContact OG-CB 3.46Å; S421-T432 PolarHBondContact OG-O 3.36Å
433	L	98.5	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.1	175.7	-50.8	176.2	0	0	0	109.3	Q16 V17 W419 F420 C438 L466 L467 L470 W549	Q16-L433 WeakPolarHBondContact CA-O 3.46Å; V17-L433 HydrophobicContact CB-CB 4.39Å; V17-L433 PolarHBondContact N-O 3.3Å; V17-L433 VanDerWaalsContact N-O 3.08Å; V17-L433 WeakPolarHBondContact O-CB 3.43Å; V17-L433 PolarHBondContact O-N 2.96Å; W419-L433 HydrophobicContact CE3-CD2 4.1Å; W419-L433 HydrophobicContact CZ3-CD2 3.98Å; F420-L433 HydrophobicContact CB-CD2 3.91Å; L433-C438 HydrophobicContact CB-CB 4.5Å; L433-L466 HydrophobicContact CD1-CD2 4.02Å; L433-L466 HydrophobicContact CD1-CG 4.42Å; L433-L466 HydrophobicContact CD2-CD2 4.1Å; L433-L467 HydrophobicContact CD1-CD2 3.6Å; L433-L467 HydrophobicContact CD1-CG 4.09Å; L433-L470 HydrophobicContact CD1-CD1 4.3Å; L433-W549 HydrophobicContact CB-CH2 4.31Å
434	D	96.8	Very high	96.4	Very high	23 Å²	23	23.5 Å²	23.5	12%	0.123	13%	0.13	C	C	.	.			trans	-117.8	145.9	177.3	-169.7	-91.1	0	0	0	110.6	Q16 S436 D437 C438	Q16-D434 WeakPolarHBondContact CG-OD2 3.48Å; Q16-D434 PolarHBondContact NE2-OD2 2.91Å; D434-S436 PolarHBondContact O-N 3.49Å; D434-S436 VanDerWaalsContact O-N 3.08Å; D434-S436 WeakPolarHBondContact OD1-CB 3.34Å; D434-S436 PolarHBondContact OD1-N 2.88Å; D434-S436 PolarHBondContact OD1-OG 3.35Å; D434-D437 PolarHBondContact O-N 2.82Å; D434-C438 WeakPolarHBondContact O-CB 3.32Å; D434-C438 PolarHBondContact O-N 3.16Å
435	E	95.7	Very high	96.1	Very high	82 Å²	82	21.5 Å²	21.5	38%	0.383	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.3	178.7	-177.8	-171.8	-148.5	0	0	112.8	K14 W549	K14-E435 WeakPolarHBondContact CE-OE2 3.44Å; K14-E435 IonicContact NZ-OE2 2.84Å; K14-E435 PolarHBondContact NZ-OE2 3.23Å; E435-W549 HydrophobicContact CB-CD2 4.02Å; E435-W549 HydrophobicContact CB-CG 4.02Å; E435-W549 HydrophobicContact CG-CB 3.97Å; E435-W549 HydrophobicContact CG-CD2 4.24Å; E435-W549 HydrophobicContact CG-CG 3.82Å
436	S	94	Very high	95.7	Very high	95 Å²	95	25.5 Å²	25.5	66%	0.664	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-30.3	-173.3	57.5	0	0	0	0	115	D434	D434-S436 PolarHBondContact O-N 3.49Å; D434-S436 VanDerWaalsContact O-N 3.08Å; D434-S436 WeakPolarHBondContact OD1-CB 3.34Å; D434-S436 PolarHBondContact OD1-N 2.88Å; D434-S436 PolarHBondContact OD1-OG 3.35Å
437	D	95.4	Very high	95.3	Very high	46 Å²	46	30.6 Å²	30.6	25%	0.246	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-11.8	-173.4	66.8	-10.1	0	0	0	114.6	W419 D434 F439 A440	W419-D437 VanDerWaalsContact CA-O 3.32Å; W419-D437 WeakPolarHBondContact CA-O 3.44Å; W419-D437 WeakPolarHBondContact CB-O 3.25Å; D434-D437 PolarHBondContact O-N 2.82Å; D437-F439 PolarHBondContact O-N 2.93Å; D437-A440 VanDerWaalsContact O-CB 3.24Å; D437-A440 WeakPolarHBondContact O-CB 3.48Å; D437-A440 PolarHBondContact O-N 2.82Å
438	C	97	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-37	-176	-177.3	0	0	0	0	113.6	W419 L433 D434 G463 W549	W419-C438 WeakPolarHBondContact O-CA 3.16Å; L433-C438 HydrophobicContact CB-CB 4.5Å; D434-C438 WeakPolarHBondContact O-CB 3.32Å; D434-C438 PolarHBondContact O-N 3.16Å; C438-G463 WeakPolarHBondContact O-CA 3.39Å; C438-W549 HydrophobicContact CB-CH2 4.3Å; C438-W549 HydrophobicContact CB-CZ3 3.92Å
439	F	95.9	Very high	94.6	Very high	37 Å²	37	33.8 Å²	33.8	16%	0.162	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.9	-177.3	-49.2	-57.4	0	0	0	114.8	D437 N461 L467 W549 I553 P560	D437-F439 PolarHBondContact O-N 2.93Å; F439-N461 PolarHBondContact O-ND2 3.2Å; F439-L467 HydrophobicContact CE1-CD1 3.73Å; F439-L467 HydrophobicContact CZ-CD1 3.81Å; F439-W549 HydrophobicContact CE1-CZ3 4.45Å; F439-W549 AromaticContact CE2-CE3 3.57Å; F439-W549 HydrophobicContact CE2-CE3 3.57Å; F439-W549 AromaticContact CE2-CZ3 3.99Å; F439-W549 HydrophobicContact CE2-CZ3 3.99Å; F439-W549 AromaticContact CZ-CE3 3.49Å; F439-W549 HydrophobicContact CZ-CE3 3.49Å; F439-W549 VanDerWaalsContact CZ-CE3 3.49Å; F439-W549 AromaticContact CZ-CZ3 3.62Å; F439-W549 HydrophobicContact CZ-CZ3 3.62Å; F439-I553 HydrophobicContact CD1-CG1 4.49Å; F439-I553 HydrophobicContact CE1-CB 4.46Å; F439-I553 HydrophobicContact CE1-CD1 4.4Å; F439-I553 HydrophobicContact CE1-CG1 3.64Å; F439-I553 HydrophobicContact CE1-CG2 4.45Å; F439-I553 HydrophobicContact CE2-CG1 4.12Å; F439-I553 HydrophobicContact CZ-CB 4.46Å; F439-I553 HydrophobicContact CZ-CD1 4.26Å; F439-I553 HydrophobicContact CZ-CG1 3.41Å; F439-I553 VanDerWaalsContact CZ-CG1 3.41Å; F439-P560 HydrophobicContact CB-CG 3.7Å; F439-P560 HydrophobicContact CG-CG 4.06Å
440	A	93.8	Very high	94.4	Very high	26 Å²	26	34.8 Å²	34.8	22%	0.215	20%	0.202	C	C	.	.			trans	-73	-26.6	-177.8	0	0	0	0	0	113.6	P417 D437	P417-A440 HydrophobicContact CB-CB 3.95Å; D437-A440 VanDerWaalsContact O-CB 3.24Å; D437-A440 WeakPolarHBondContact O-CB 3.48Å; D437-A440 PolarHBondContact O-N 2.82Å
441	A	94.7	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.			trans	-94.9	103.9	-171.6	0	0	0	0	0	113.3	V416 W419 L462	V416-A441 HydrophobicContact CG1-CB 3.65Å; W419-A441 HydrophobicContact CB-CB 3.83Å; W419-A441 HydrophobicContact CD2-CB 4.45Å; W419-A441 HydrophobicContact CG-CB 3.59Å; A441-L462 HydrophobicContact CB-CB 4.35Å; A441-L462 HydrophobicContact CB-CD1 4.13Å; A441-L462 HydrophobicContact CB-CG 4.29Å; A441-L462 PolarHBondContact O-N 2.7Å
442	W	94.2	Very high	92.9	Very high	11 Å²	11	41.8 Å²	41.8	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.9	169.5	-69.3	86.8	0	0	0	111.5	K459 L460 N461 M559 P560 F562 M590 R655	W442-K459 HydrophobicContact CE3-CB 4.14Å; W442-K459 WeakPolarHBondContact CZ3-O 3.44Å; W442-L460 CarbonylContact C-O 3.54Å; W442-L460 VanDerWaalsContact CA-O 3.3Å; W442-L460 WeakPolarHBondContact CA-O 3.39Å; W442-N461 HydrophobicContact CD2-CB 4.12Å; W442-N461 VanDerWaalsContact CE2-ND2 3.27Å; W442-N461 HydrophobicContact CE3-CB 4.04Å; W442-N461 HydrophobicContact CH2-CB 3.97Å; W442-N461 HydrophobicContact CZ2-CB 3.96Å; W442-N461 HydrophobicContact CZ3-CB 3.98Å; W442-N461 PolarHBondContact NE1-ND2 2.84Å; W442-M559 HydrophobicContact CH2-CG 3.5Å; W442-M559 VanDerWaalsContact CH2-CG 3.5Å; W442-M559 HydrophobicContact CZ2-CG 4.08Å; W442-M559 HydrophobicContact CZ3-CG 4.37Å; W442-P560 WeakPolarHBondContact CH2-O 3.27Å; W442-P560 HydrophobicContact CZ2-CG 4.19Å; W442-P560 WeakPolarHBondContact CZ2-O 3.48Å; W442-F562 AromaticContact CD2-CD1 3.79Å; W442-F562 HydrophobicContact CD2-CD1 3.79Å; W442-F562 HydrophobicContact CD2-CE1 4.01Å; W442-F562 AromaticContact CE3-CD1 3.76Å; W442-F562 HydrophobicContact CE3-CD1 3.76Å; W442-F562 AromaticContact CE3-CE1 3.46Å; W442-F562 HydrophobicContact CE3-CE1 3.46Å; W442-F562 VanDerWaalsContact CE3-CE1 3.46Å; W442-F562 HydrophobicContact CG-CD1 4.34Å; W442-F562 HydrophobicContact CH2-CD1 4.28Å; W442-F562 AromaticContact CH2-CE1 3.92Å; W442-F562 HydrophobicContact CH2-CE1 3.92Å; W442-F562 HydrophobicContact CZ2-CD1 4.38Å; W442-F562 HydrophobicContact CZ2-CE1 4.46Å; W442-F562 AromaticContact CZ3-CD1 4Å; W442-F562 HydrophobicContact CZ3-CD1 4Å; W442-F562 AromaticContact CZ3-CE1 3.4Å; W442-F562 HydrophobicContact CZ3-CE1 3.4Å; W442-F562 HydrophobicContact CZ3-CZ 4.25Å; W442-M590 HydrophobicContact CB-CG 4.45Å; W442-M590 HydrophobicContact CB-SD 3.37Å; W442-M590 WeakPolarHBondContact CB-SD 3.18Å; W442-R655 PolarHBondContact O-NH1 3.13Å; W442-R655 PolarHBondContact O-NH2 3.44Å
443	V	92.9	Very high	91.9	Very high	15 Å²	15	48.1 Å²	48.1	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.6	-179.1	-174.2	0	0	0	0	108.9	V416 D447 A448 L460 L462 M590	V416-V443 HydrophobicContact CG1-CG2 4.25Å; V416-V443 HydrophobicContact CG2-CG2 4.22Å; V443-D447 HydrophobicContact CG1-CB 3.74Å; V443-A448 HydrophobicContact CG1-CB 4.27Å; V443-L460 PolarHBondContact N-O 3.49Å; V443-L460 PolarHBondContact O-N 2.91Å; V443-L462 HydrophobicContact CB-CD2 4.32Å; V443-L462 HydrophobicContact CG2-CD1 3.91Å; V443-L462 HydrophobicContact CG2-CD2 4.23Å; V443-L462 HydrophobicContact CG2-CG 4.07Å; V443-M590 VanDerWaalsContact C-CE 3.43Å
444	S	90.9	Very high	91.2	Very high	10 Å²	10	53.9 Å²	53.9	7%	0.07	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	152.7	173.8	72.9	0	0	0	0	109.8	K446 D447 A448 D457	S444-K446 PolarHBondContact O-N 3.22Å; S444-D447 PolarHBondContact O-N 3.29Å; S444-D447 WeakPolarHBondContact OG-CB 3.26Å; S444-D447 PolarHBondContact OG-N 3.49Å; S444-D447 PolarHBondContact OG-OD2 2.86Å; S444-A448 WeakPolarHBondContact O-CB 3.45Å; S444-A448 PolarHBondContact O-N 2.89Å; S444-D457 VanDerWaalsContact CB-OD1 3.31Å; S444-D457 WeakPolarHBondContact CB-OD1 3.43Å; S444-D457 WeakPolarHBondContact CB-OD2 3.34Å
445	A	92.1	Very high	90.5	Very high	3 Å²	3	56 Å²	56	3%	0.025	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.4	176.5	0	0	0	0	0	110.7	A448 G449 F450 D457 P458 L460	A445-A448 CarbonylContact O-C 3.55Å; A445-A448 WeakPolarHBondContact O-CA 3.49Å; A445-A448 PolarHBondContact O-N 2.81Å; A445-G449 PolarHBondContact O-N 2.99Å; A445-G449 VanDerWaalsContact O-N 3.09Å; A445-F450 CarbonylContact C-O 3.6Å; A445-F450 VanDerWaalsContact C-O 3.24Å; A445-F450 HydrophobicContact CB-CB 4.36Å; A445-F450 PolarHBondContact O-N 2.87Å; A445-F450 VanDerWaalsContact O-O 3.11Å; A445-D457 WeakPolarHBondContact CA-OD1 3.31Å; A445-D457 PolarHBondContact N-OD1 3.09Å; A445-P458 HydrophobicContact CB-CG 4.04Å; A445-P458 PolarHBondContact N-O 3.37Å; A445-L460 HydrophobicContact CB-CD1 3.79Å; A445-L460 HydrophobicContact CB-CG 4.25Å
446	K	89.1	Confident	90	Very high	160 Å²	160	54.4 Å²	54.4	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-46.2	178.7	-170.9	177.8	-179	178.2	0	112.4	S444 A448 G449 D457	S444-K446 PolarHBondContact O-N 3.22Å; K446-A448 VanDerWaalsContact C-N 3.27Å; K446-A448 PolarHBondContact O-N 3.06Å; K446-G449 WeakPolarHBondContact O-CA 3.43Å; K446-G449 PolarHBondContact O-N 2.98Å; K446-D457 WeakPolarHBondContact CB-OD1 3.49Å; K446-D457 PolarHBondContact N-OD1 3.35Å
447	D	88.5	Confident	89.6	Confident	112 Å²	112	53.4 Å²	53.4	60%	0.599	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-29.1	177.2	-64.2	-33.8	0	0	0	111.8	V443 S444 G449	V443-D447 HydrophobicContact CG1-CB 3.74Å; S444-D447 PolarHBondContact O-N 3.29Å; S444-D447 WeakPolarHBondContact OG-CB 3.26Å; S444-D447 PolarHBondContact OG-N 3.49Å; S444-D447 PolarHBondContact OG-OD2 2.86Å; D447-G449 PolarHBondContact O-N 3.3Å
448	A	91.7	Very high	89.4	Confident	6 Å²	6	53.4 Å²	53.4	5%	0.05	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2	169.7	0	0	0	0	0	112.9	R373 V443 S444 A445 K446 F450	R373-A448 PolarHBondContact NH1-O 3.16Å; V443-A448 HydrophobicContact CG1-CB 4.27Å; S444-A448 WeakPolarHBondContact O-CB 3.45Å; S444-A448 PolarHBondContact O-N 2.89Å; A445-A448 CarbonylContact O-C 3.55Å; A445-A448 WeakPolarHBondContact O-CA 3.49Å; A445-A448 PolarHBondContact O-N 2.81Å; K446-A448 VanDerWaalsContact C-N 3.27Å; K446-A448 PolarHBondContact O-N 3.06Å; A448-F450 VanDerWaalsContact C-N 3.3Å; A448-F450 HydrophobicContact CB-CD2 3.59Å; A448-F450 HydrophobicContact CB-CE2 3.71Å; A448-F450 PolarHBondContact O-N 3Å
449	G	92.1	Very high	89.1	Confident	64 Å²	64	57 Å²	57	66%	0.66	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	27.9	178.6	0	0	0	0	0	113.9	A445 K446 D447	A445-G449 PolarHBondContact O-N 2.99Å; A445-G449 VanDerWaalsContact O-N 3.09Å; K446-G449 WeakPolarHBondContact O-CA 3.43Å; K446-G449 PolarHBondContact O-N 2.98Å; D447-G449 PolarHBondContact O-N 3.3Å
450	F	92.4	Very high	89	Confident	21 Å²	21	55.9 Å²	55.9	9%	0.092	35%	0.349	C	S	.	.			trans	-106.7	122.7	170.8	-55.7	-58.1	0	0	0	109.2	L390 A445 A448 L460 Y506 F507	L390-F450 HydrophobicContact CD2-CE2 4.13Å; L390-F450 HydrophobicContact CD2-CZ 4.01Å; A445-F450 CarbonylContact C-O 3.6Å; A445-F450 VanDerWaalsContact C-O 3.24Å; A445-F450 HydrophobicContact CB-CB 4.36Å; A445-F450 PolarHBondContact O-N 2.87Å; A445-F450 VanDerWaalsContact O-O 3.11Å; A448-F450 VanDerWaalsContact C-N 3.3Å; A448-F450 HydrophobicContact CB-CD2 3.59Å; A448-F450 HydrophobicContact CB-CE2 3.71Å; A448-F450 PolarHBondContact O-N 3Å; F450-L460 HydrophobicContact CD2-CD1 3.74Å; F450-L460 HydrophobicContact CE2-CD1 4.33Å; F450-Y506 HydrophobicContact CB-CD1 3.82Å; F450-Y506 HydrophobicContact CB-CE1 4.4Å; F450-Y506 HydrophobicContact CD1-CD1 4.39Å; F450-Y506 HydrophobicContact CD2-CD1 4.1Å; F450-Y506 HydrophobicContact CD2-CG 4.41Å; F450-Y506 AromaticContact CG-CD1 3.86Å; F450-Y506 HydrophobicContact CG-CD1 3.86Å; F450-Y506 HydrophobicContact CG-CG 4.4Å; F450-F507 HydrophobicContact CE1-CB 4.33Å; F450-F507 HydrophobicContact CE1-CD1 4.13Å; F450-F507 HydrophobicContact CE2-CD1 4.44Å; F450-F507 AromaticContact CZ-CD1 3.6Å; F450-F507 HydrophobicContact CZ-CD1 3.6Å; F450-F507 HydrophobicContact CZ-CE1 4.26Å; F450-F507 HydrophobicContact CZ-CG 4.44Å
451	S	86.2	Confident	89.1	Confident	119 Å²	119	54.7 Å²	54.7	83%	0.832	34%	0.339	S	S	*	.			trans	-102	132	175.2	54.4	0	0	0	0	110.1
452	S	80.4	Confident	89.2	Confident	35 Å²	35	54.9 Å²	54.9	25%	0.245	34%	0.34	C	S	.	.			trans	-95	150.8	169	67.3	0	0	0	0	110.9	D454 G455 S456	S452-D454 WeakPolarHBondContact CB-OD1 3.35Å; S452-D454 PolarHBondContact O-N 2.82Å; S452-D454 PolarHBondContact OG-OD1 2.8Å; S452-G455 PolarHBondContact O-N 3.06Å; S452-G455 PolarHBondContact OG-N 2.95Å; S452-S456 PolarHBondContact OG-N 3.1Å; S452-S456 PolarHBondContact OG-O 2.95Å; S452-S456 PolarHBondContact OG-OG 3.29Å; S452-S456 VanDerWaalsContact OG-OG 3.11Å
453	P	78.9	Confident	89.4	Confident	146 Å²	146	54.3 Å²	54.3	95%	0.948	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.8	179	-23.4	34.2	0	0	0	114.4	G455	P453-G455 VanDerWaalsContact C-N 3.34Å
454	D	83.3	Confident	89.6	Confident	121 Å²	121	53.6 Å²	53.6	65%	0.647	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.6	-179.1	65.6	-13.6	0	0	0	113.4	S452 S456	S452-D454 WeakPolarHBondContact CB-OD1 3.35Å; S452-D454 PolarHBondContact O-N 2.82Å; S452-D454 PolarHBondContact OG-OD1 2.8Å; D454-S456 VanDerWaalsContact CG-OG 3.29Å; D454-S456 PolarHBondContact O-N 2.76Å; D454-S456 VanDerWaalsContact OD1-CB 3.26Å; D454-S456 WeakPolarHBondContact OD1-CB 3.49Å; D454-S456 PolarHBondContact OD1-N 2.88Å; D454-S456 PolarHBondContact OD1-OG 3.05Å; D454-S456 WeakPolarHBondContact OD2-CB 3.45Å; D454-S456 PolarHBondContact OD2-OG 2.95Å
455	G	81	Confident	89.9	Confident	66 Å²	66	53.5 Å²	53.5	68%	0.68	33%	0.332	S	S	*	.			trans	70.8	8.3	-175.2	0	0	0	0	0	114.3	S452 P453	S452-G455 PolarHBondContact O-N 3.06Å; S452-G455 PolarHBondContact OG-N 2.95Å; P453-G455 VanDerWaalsContact C-N 3.34Å
456	S	85.9	Confident	90.2	Very high	50 Å²	50	53.4 Å²	53.4	35%	0.35	33%	0.331	S	S	.	.			trans	-62.1	141.8	172.1	67.5	0	0	0	0	111.8	S452 D454 P458	S452-S456 PolarHBondContact OG-N 3.1Å; S452-S456 PolarHBondContact OG-O 2.95Å; S452-S456 PolarHBondContact OG-OG 3.29Å; S452-S456 VanDerWaalsContact OG-OG 3.11Å; D454-S456 VanDerWaalsContact CG-OG 3.29Å; D454-S456 PolarHBondContact O-N 2.76Å; D454-S456 VanDerWaalsContact OD1-CB 3.26Å; D454-S456 WeakPolarHBondContact OD1-CB 3.49Å; D454-S456 PolarHBondContact OD1-N 2.88Å; D454-S456 PolarHBondContact OD1-OG 3.05Å; D454-S456 WeakPolarHBondContact OD2-CB 3.45Å; D454-S456 PolarHBondContact OD2-OG 2.95Å; S456-P458 VanDerWaalsContact O-CD 3.31Å; S456-P458 WeakPolarHBondContact O-CD 3.39Å
457	D	86.5	Confident	90.6	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	30%	0.299	S	S	.	.			trans	-120.5	68.2	177.1	-170	17.7	0	0	0	110.3	S444 A445 K446	S444-D457 VanDerWaalsContact CB-OD1 3.31Å; S444-D457 WeakPolarHBondContact CB-OD1 3.43Å; S444-D457 WeakPolarHBondContact CB-OD2 3.34Å; A445-D457 WeakPolarHBondContact CA-OD1 3.31Å; A445-D457 PolarHBondContact N-OD1 3.09Å; K446-D457 WeakPolarHBondContact CB-OD1 3.49Å; K446-D457 PolarHBondContact N-OD1 3.35Å
458	P	90.3	Very high	91.1	Very high	47 Å²	47	41.5 Å²	41.5	31%	0.305	28%	0.275	S	S	.	.			trans	-64.9	149.6	-178	27.8	-34.7	0	0	0	110.7	A445 S456 L460	A445-P458 HydrophobicContact CB-CG 4.04Å; A445-P458 PolarHBondContact N-O 3.37Å; S456-P458 VanDerWaalsContact O-CD 3.31Å; S456-P458 WeakPolarHBondContact O-CD 3.39Å; P458-L460 HydrophobicContact CB-CD2 4.4Å; P458-L460 HydrophobicContact CG-CD2 4.17Å; P458-L460 PolarHBondContact O-N 3.33Å
459	K	90.9	Very high	91.4	Very high	75 Å²	75	41.2 Å²	41.2	33%	0.326	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.4	171.5	-67.2	177.3	178	179.6	0	109.1	W442 F562 S588 M590	W442-K459 HydrophobicContact CE3-CB 4.14Å; W442-K459 WeakPolarHBondContact CZ3-O 3.44Å; K459-F562 HydrophobicContact CB-CD1 4.31Å; K459-F562 HydrophobicContact CB-CE1 3.43Å; K459-F562 VanDerWaalsContact CB-CE1 3.43Å; K459-F562 HydrophobicContact CB-CZ 4Å; K459-F562 HydrophobicContact CD-CD1 3.95Å; K459-F562 HydrophobicContact CD-CE1 3.65Å; K459-F562 HydrophobicContact CD-CZ 4.08Å; K459-F562 HydrophobicContact CG-CE1 4.18Å; K459-S588 PolarHBondContact NZ-OG 2.79Å; K459-M590 HydrophobicContact CB-CE 4.46Å; K459-M590 HydrophobicContact CB-SD 4.3Å; K459-M590 HydrophobicContact CD-CE 4.26Å; K459-M590 HydrophobicContact CD-SD 3.73Å; K459-M590 HydrophobicContact CG-CE 3.92Å; K459-M590 HydrophobicContact CG-SD 3.95Å
460	L	93.3	Very high	91.7	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.068	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.4	-175.9	-56.3	-179.2	0	0	0	110.9	W442 V443 A445 F450 P458 L465 Y506	W442-L460 CarbonylContact C-O 3.54Å; W442-L460 VanDerWaalsContact CA-O 3.3Å; W442-L460 WeakPolarHBondContact CA-O 3.39Å; V443-L460 PolarHBondContact N-O 3.49Å; V443-L460 PolarHBondContact O-N 2.91Å; A445-L460 HydrophobicContact CB-CD1 3.79Å; A445-L460 HydrophobicContact CB-CG 4.25Å; F450-L460 HydrophobicContact CD2-CD1 3.74Å; F450-L460 HydrophobicContact CE2-CD1 4.33Å; P458-L460 HydrophobicContact CB-CD2 4.4Å; P458-L460 HydrophobicContact CG-CD2 4.17Å; P458-L460 PolarHBondContact O-N 3.33Å; L460-L465 HydrophobicContact CB-CD1 3.84Å; L460-L465 HydrophobicContact CD1-CD1 3.99Å; L460-L465 HydrophobicContact CG-CD1 4.36Å; L460-Y506 HydrophobicContact CD1-CD1 4.16Å; L460-Y506 HydrophobicContact CD1-CE1 3.91Å; L460-Y506 HydrophobicContact CD1-CE2 4.37Å; L460-Y506 HydrophobicContact CD1-CG 4.48Å; L460-Y506 HydrophobicContact CD2-CE1 4.25Å; L460-Y506 HydrophobicContact CD2-CE2 3.83Å; L460-Y506 WeakPolarHBondContact CD2-OH 3.37Å
461	N	95.7	Very high	92	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.3	172	-169.3	-81.9	0	0	0	110.2	F439 W442 G463 G464 L465 M559	F439-N461 PolarHBondContact O-ND2 3.2Å; W442-N461 HydrophobicContact CD2-CB 4.12Å; W442-N461 VanDerWaalsContact CE2-ND2 3.27Å; W442-N461 HydrophobicContact CE3-CB 4.04Å; W442-N461 HydrophobicContact CH2-CB 3.97Å; W442-N461 HydrophobicContact CZ2-CB 3.96Å; W442-N461 HydrophobicContact CZ3-CB 3.98Å; W442-N461 PolarHBondContact NE1-ND2 2.84Å; N461-G463 PolarHBondContact O-N 3.14Å; N461-G463 PolarHBondContact OD1-N 2.88Å; N461-G464 PolarHBondContact O-N 2.77Å; N461-G464 PolarHBondContact OD1-N 2.86Å; N461-L465 WeakPolarHBondContact O-CG 3.41Å; N461-L465 PolarHBondContact O-N 2.96Å; N461-M559 HydrophobicContact CB-CG 4.27Å; N461-M559 HydrophobicContact CB-SD 3.63Å
462	L	97.1	Very high	92.5	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-45.1	-172.5	-59.9	-173.7	0	0	0	112.6	L390 W419 A441 V443 L465 L466	L390-L462 HydrophobicContact CD1-CB 4.42Å; L390-L462 WeakPolarHBondContact CD1-O 3.45Å; L390-L462 HydrophobicContact CD2-CD2 4.09Å; W419-L462 HydrophobicContact CD2-CB 4.14Å; W419-L462 HydrophobicContact CE3-CB 4.44Å; W419-L462 HydrophobicContact CH2-CB 4.23Å; W419-L462 HydrophobicContact CZ2-CB 3.9Å; W419-L462 HydrophobicContact CZ2-CD1 4.14Å; W419-L462 HydrophobicContact CZ3-CB 4.47Å; A441-L462 HydrophobicContact CB-CB 4.35Å; A441-L462 HydrophobicContact CB-CD1 4.13Å; A441-L462 HydrophobicContact CB-CG 4.29Å; A441-L462 PolarHBondContact O-N 2.7Å; V443-L462 HydrophobicContact CB-CD2 4.32Å; V443-L462 HydrophobicContact CG2-CD1 3.91Å; V443-L462 HydrophobicContact CG2-CD2 4.23Å; V443-L462 HydrophobicContact CG2-CG 4.07Å; L462-L465 PolarHBondContact O-N 2.8Å; L462-L466 WeakPolarHBondContact O-CB 3.48Å; L462-L466 PolarHBondContact O-N 3.07Å
463	G	97.6	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-40.4	178.9	0	0	0	0	0	112.8	C438 N461 L466 L467	C438-G463 WeakPolarHBondContact O-CA 3.39Å; N461-G463 PolarHBondContact O-N 3.14Å; N461-G463 PolarHBondContact OD1-N 2.88Å; G463-L466 PolarHBondContact O-N 2.87Å; G463-L467 WeakPolarHBondContact O-CG 3.39Å; G463-L467 PolarHBondContact O-N 3.12Å
464	G	97.3	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-46.2	175.3	0	0	0	0	0	113	N461 L466 L467 Q468	N461-G464 PolarHBondContact O-N 2.77Å; N461-G464 PolarHBondContact OD1-N 2.86Å; G464-L466 VanDerWaalsContact C-N 3.33Å; G464-L466 PolarHBondContact O-N 3.45Å; G464-L467 PolarHBondContact O-N 3.14Å; G464-Q468 WeakPolarHBondContact O-CG 3.37Å; G464-Q468 PolarHBondContact O-N 3.22Å
465	L	97.5	Very high	94.7	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-41.9	175.6	-69.3	-178.9	0	0	0	112	L460 N461 L462 Q468 A469 N504 Y506 F507	L460-L465 HydrophobicContact CB-CD1 3.84Å; L460-L465 HydrophobicContact CD1-CD1 3.99Å; L460-L465 HydrophobicContact CG-CD1 4.36Å; N461-L465 WeakPolarHBondContact O-CG 3.41Å; N461-L465 PolarHBondContact O-N 2.96Å; L462-L465 PolarHBondContact O-N 2.8Å; L465-Q468 PolarHBondContact O-N 2.66Å; L465-A469 PolarHBondContact O-N 3.38Å; L465-N504 HydrophobicContact CB-CB 4.49Å; L465-N504 HydrophobicContact CD2-CB 3.75Å; L465-N504 PolarHBondContact O-ND2 2.77Å; L465-Y506 HydrophobicContact CD1-CD2 4.3Å; L465-Y506 HydrophobicContact CD2-CD2 3.68Å; L465-Y506 HydrophobicContact CD2-CE2 3.99Å; L465-F507 HydrophobicContact CB-CE1 3.85Å; L465-F507 HydrophobicContact CB-CZ 4.14Å; L465-F507 HydrophobicContact CD1-CE1 4.3Å
466	L	98.4	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-45.6	179.1	-179.5	59.8	0	0	0	112	Y19 L390 W419 L433 L462 G463 G464 Q468 A469 L470 V509	Y19-L466 HydrophobicContact CE1-CD1 4.48Å; Y19-L466 HydrophobicContact CE1-CD2 3.6Å; Y19-L466 HydrophobicContact CE1-CG 4.42Å; L390-L466 HydrophobicContact CD1-CB 4.12Å; L390-L466 WeakPolarHBondContact O-CD1 3.37Å; W419-L466 HydrophobicContact CH2-CD2 3.87Å; W419-L466 HydrophobicContact CZ3-CB 4.33Å; W419-L466 HydrophobicContact CZ3-CD2 3.62Å; L433-L466 HydrophobicContact CD1-CD2 4.02Å; L433-L466 HydrophobicContact CD1-CG 4.42Å; L433-L466 HydrophobicContact CD2-CD2 4.1Å; L462-L466 WeakPolarHBondContact O-CB 3.48Å; L462-L466 PolarHBondContact O-N 3.07Å; G463-L466 PolarHBondContact O-N 2.87Å; G464-L466 VanDerWaalsContact C-N 3.33Å; G464-L466 PolarHBondContact O-N 3.45Å; L466-Q468 VanDerWaalsContact C-N 3.27Å; L466-Q468 PolarHBondContact O-N 3.41Å; L466-A469 PolarHBondContact O-N 2.8Å; L466-A469 VanDerWaalsContact O-N 3.1Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CD2 4.48Å; L466-L470 HydrophobicContact CD1-CG 4.09Å; L466-L470 HydrophobicContact CG-CD1 3.97Å; L466-L470 HydrophobicContact CG-CG 4.26Å; L466-L470 WeakPolarHBondContact O-CG 3.47Å; L466-L470 PolarHBondContact O-N 3.01Å; L466-V509 HydrophobicContact CD1-CG1 4.08Å
467	L	98.5	Very high	95.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-40.9	177.5	-72.6	172.9	0	0	0	111.9	V17 L433 F439 G463 G464 A469 L470 L471 W549 V550 T554	V17-L467 HydrophobicContact CB-CD2 4.26Å; V17-L467 HydrophobicContact CG1-CD2 4.22Å; V17-L467 HydrophobicContact CG2-CD2 4.17Å; L433-L467 HydrophobicContact CD1-CD2 3.6Å; L433-L467 HydrophobicContact CD1-CG 4.09Å; F439-L467 HydrophobicContact CE1-CD1 3.73Å; F439-L467 HydrophobicContact CZ-CD1 3.81Å; G463-L467 WeakPolarHBondContact O-CG 3.39Å; G463-L467 PolarHBondContact O-N 3.12Å; G464-L467 PolarHBondContact O-N 3.14Å; L467-A469 VanDerWaalsContact C-N 3.35Å; L467-L470 PolarHBondContact O-N 2.86Å; L467-L471 PolarHBondContact O-N 3.45Å; L467-L471 VanDerWaalsContact O-N 3.13Å; L467-W549 HydrophobicContact CD1-CE3 4.41Å; L467-W549 HydrophobicContact CD1-CH2 4.35Å; L467-W549 HydrophobicContact CD1-CZ3 3.71Å; L467-V550 HydrophobicContact CD1-CG1 4.4Å; L467-V550 HydrophobicContact CD1-CG2 4.29Å; L467-V550 HydrophobicContact CD2-CG1 4.22Å; L467-V550 HydrophobicContact CD2-CG2 4.23Å; L467-T554 HydrophobicContact CB-CG2 3.78Å
468	Q	97.9	Very high	96.2	Very high	21 Å²	21	23.5 Å²	23.5	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-36.4	175.5	-72.7	176.6	-5.7	0	0	112.5	G464 L465 L466 L471 E472 N504 I553 T554	G464-Q468 WeakPolarHBondContact O-CG 3.37Å; G464-Q468 PolarHBondContact O-N 3.22Å; L465-Q468 PolarHBondContact O-N 2.66Å; L466-Q468 VanDerWaalsContact C-N 3.27Å; L466-Q468 PolarHBondContact O-N 3.41Å; Q468-L471 CarbonylContact O-C 3.57Å; Q468-E472 WeakPolarHBondContact O-CA 3.31Å; Q468-E472 PolarHBondContact O-N 3.06Å; Q468-E472 VanDerWaalsContact O-N 3.08Å; Q468-N504 HydrophobicContact CB-CB 3.87Å; Q468-N504 VanDerWaalsContact OE1-CB 3.32Å; Q468-I553 PolarHBondContact NE2-O 3.23Å; Q468-I553 VanDerWaalsContact NE2-O 3.08Å; Q468-T554 HydrophobicContact CG-CG2 4.19Å
469	A	98.2	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-41.7	174.6	0	0	0	0	0	112.3	L465 L466 L467 L471 E472 F507 V509	L465-A469 PolarHBondContact O-N 3.38Å; L466-A469 PolarHBondContact O-N 2.8Å; L466-A469 VanDerWaalsContact O-N 3.1Å; L467-A469 VanDerWaalsContact C-N 3.35Å; A469-L471 PolarHBondContact O-N 2.89Å; A469-E472 VanDerWaalsContact O-CB 3.27Å; A469-E472 WeakPolarHBondContact O-CB 3.47Å; A469-E472 PolarHBondContact O-N 2.93Å; A469-F507 HydrophobicContact CB-CD2 4.26Å; A469-F507 HydrophobicContact CB-CE2 3.63Å; A469-F507 HydrophobicContact CB-CZ 4.21Å; A469-V509 HydrophobicContact CB-CG1 3.88Å; A469-V509 HydrophobicContact CB-CG2 4.36Å
470	L	98.5	Very high	95.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-29.1	178.8	-68.6	171.7	0	0	0	112.9	V17 Y19 L433 L466 L467 V509 T513 V515 C530	V17-L470 HydrophobicContact CG1-CD1 4.4Å; Y19-L470 HydrophobicContact CD1-CD1 3.91Å; Y19-L470 HydrophobicContact CD1-CD2 4.24Å; Y19-L470 HydrophobicContact CD2-CD2 4.32Å; Y19-L470 HydrophobicContact CE1-CD1 4.46Å; Y19-L470 HydrophobicContact CG-CD1 4.37Å; Y19-L470 HydrophobicContact CG-CD2 3.9Å; L433-L470 HydrophobicContact CD1-CD1 4.3Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CD2 4.48Å; L466-L470 HydrophobicContact CD1-CG 4.09Å; L466-L470 HydrophobicContact CG-CD1 3.97Å; L466-L470 HydrophobicContact CG-CG 4.26Å; L466-L470 WeakPolarHBondContact O-CG 3.47Å; L466-L470 PolarHBondContact O-N 3.01Å; L467-L470 PolarHBondContact O-N 2.86Å; L470-V509 HydrophobicContact CD2-CG1 4.41Å; L470-V509 HydrophobicContact CD2-CG2 4.33Å; L470-T513 HydrophobicContact CD2-CG2 4.29Å; L470-V515 HydrophobicContact CB-CG2 4.29Å; L470-V515 HydrophobicContact CD2-CG2 4.07Å; L470-C530 PolarHBondContact O-SG 2.97Å; L470-C530 VanDerWaalsContact O-SG 3.37Å
471	L	98.2	Very high	93.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	19.6	179	-68.8	174.7	0	0	0	112.9	L467 Q468 A469 Y473 W474 T477 F517 L542 V546 V550 T554	L467-L471 PolarHBondContact O-N 3.45Å; L467-L471 VanDerWaalsContact O-N 3.13Å; Q468-L471 CarbonylContact O-C 3.57Å; A469-L471 PolarHBondContact O-N 2.89Å; L471-Y473 PolarHBondContact O-N 2.98Å; L471-Y473 VanDerWaalsContact O-N 3.13Å; L471-W474 HydrophobicContact CB-CB 4.39Å; L471-W474 HydrophobicContact CD1-CE3 4.1Å; L471-W474 HydrophobicContact CD1-CZ3 4.37Å; L471-W474 HydrophobicContact CD2-CB 4.5Å; L471-W474 HydrophobicContact CD2-CE3 4.44Å; L471-W474 WeakPolarHBondContact O-CB 3.43Å; L471-W474 PolarHBondContact O-N 2.77Å; L471-T477 HydrophobicContact CB-CG2 4.31Å; L471-T477 PolarHBondContact O-OG1 3.07Å; L471-F517 HydrophobicContact CD2-CZ 4.19Å; L471-L542 HydrophobicContact CD2-CD1 4.36Å; L471-L542 HydrophobicContact CD2-CD2 4.04Å; L471-V546 HydrophobicContact CD1-CG1 4.49Å; L471-V550 HydrophobicContact CD1-CG1 3.84Å; L471-T554 HydrophobicContact CD1-CG2 4.29Å
472	E	97.2	Very high	92	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.051	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.7	-176.5	174.4	175.7	171.4	0	0	113.1	Q468 A469 H478 K502 Q508	Q468-E472 WeakPolarHBondContact O-CA 3.31Å; Q468-E472 PolarHBondContact O-N 3.06Å; Q468-E472 VanDerWaalsContact O-N 3.08Å; A469-E472 VanDerWaalsContact O-CB 3.27Å; A469-E472 WeakPolarHBondContact O-CB 3.47Å; A469-E472 PolarHBondContact O-N 2.93Å; E472-H478 PolarHBondContact O-NE2 2.76Å; E472-K502 HydrophobicContact CG-CB 4.15Å; E472-Q508 PolarHBondContact OE1-NE2 3.37Å; E472-Q508 WeakPolarHBondContact OE2-CG 3.41Å
473	Y	96.9	Very high	89.9	Confident	71 Å²	71	37.1 Å²	37.1	28%	0.278	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.8	-178.8	-63.3	-88.3	0	0	0	113.5	L471 P475 P511 S533 G534	L471-Y473 PolarHBondContact O-N 2.98Å; L471-Y473 VanDerWaalsContact O-N 3.13Å; Y473-P475 WeakPolarHBondContact O-CD 3.45Å; Y473-P511 HydrophobicContact CE2-CB 4.48Å; Y473-S533 CarbonylContact O-C 3.53Å; Y473-G534 WeakPolarHBondContact O-CA 3.33Å; Y473-G534 PolarHBondContact O-N 2.86Å
474	W	97.6	Very high	87.7	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.			trans	-79.2	115.9	179.1	-174	32.9	0	0	0	110.4	L471 R476 T477 S539 L542 N543 V546 I551 V555	L471-W474 HydrophobicContact CB-CB 4.39Å; L471-W474 HydrophobicContact CD1-CE3 4.1Å; L471-W474 HydrophobicContact CD1-CZ3 4.37Å; L471-W474 HydrophobicContact CD2-CB 4.5Å; L471-W474 HydrophobicContact CD2-CE3 4.44Å; L471-W474 WeakPolarHBondContact O-CB 3.43Å; L471-W474 PolarHBondContact O-N 2.77Å; W474-R476 HydrophobicContact CD2-CB 3.98Å; W474-R476 HydrophobicContact CE3-CB 4.43Å; W474-R476 HydrophobicContact CG-CB 4.46Å; W474-R476 HydrophobicContact CH2-CB 4.36Å; W474-R476 HydrophobicContact CZ2-CB 3.9Å; W474-R476 HydrophobicContact CZ2-CG 4.37Å; W474-R476 PolarHBondContact O-N 3.06Å; W474-T477 HydrophobicContact CB-CG2 4.23Å; W474-T477 HydrophobicContact CD2-CG2 4.24Å; W474-T477 HydrophobicContact CE3-CG2 3.58Å; W474-T477 HydrophobicContact CZ3-CG2 4.34Å; W474-T477 PolarHBondContact O-N 2.83Å; W474-T477 PolarHBondContact O-OG1 2.93Å; W474-S539 PolarHBondContact NE1-OG 3.38Å; W474-L542 HydrophobicContact CB-CD1 4.08Å; W474-L542 VanDerWaalsContact CD1-CD1 3.49Å; W474-L542 HydrophobicContact CD2-CB 4.25Å; W474-L542 HydrophobicContact CD2-CD1 4.02Å; W474-L542 HydrophobicContact CG-CD1 3.63Å; W474-L542 HydrophobicContact CH2-CB 4.49Å; W474-L542 HydrophobicContact CZ2-CB 3.82Å; W474-N543 WeakPolarHBondContact CZ2-OD1 3.44Å; W474-V546 HydrophobicContact CH2-CB 4.27Å; W474-V546 HydrophobicContact CH2-CG1 4.48Å; W474-V546 HydrophobicContact CH2-CG2 4.23Å; W474-V546 HydrophobicContact CZ3-CB 4.42Å; W474-V546 HydrophobicContact CZ3-CG1 4.24Å; W474-V546 HydrophobicContact CZ3-CG2 4.23Å; W474-I551 HydrophobicContact CH2-CD1 3.5Å; W474-I551 VanDerWaalsContact CH2-CD1 3.5Å; W474-I551 HydrophobicContact CZ3-CD1 3.7Å; W474-V555 HydrophobicContact CH2-CG2 4.43Å; W474-V555 HydrophobicContact CZ3-CG2 3.98Å
475	P	95.2	Very high	85.2	Confident	62 Å²	62	50.6 Å²	50.6	40%	0.403	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-59.2	-26.1	-171.3	-27.8	37.1	0	0	0	114.4	Y473 T477 H478	Y473-P475 WeakPolarHBondContact O-CD 3.45Å; P475-T477 PolarHBondContact O-N 2.77Å; P475-H478 WeakPolarHBondContact O-CB 3.41Å; P475-H478 PolarHBondContact O-N 3.04Å
476	R	95.4	Very high	82.6	Confident	120 Å²	120	59 Å²	59	45%	0.453	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16.1	178.2	-164.4	172.5	175.1	-172.8	-6.2	113.6	W474 N543 V555	W474-R476 HydrophobicContact CD2-CB 3.98Å; W474-R476 HydrophobicContact CE3-CB 4.43Å; W474-R476 HydrophobicContact CG-CB 4.46Å; W474-R476 HydrophobicContact CH2-CB 4.36Å; W474-R476 HydrophobicContact CZ2-CB 3.9Å; W474-R476 HydrophobicContact CZ2-CG 4.37Å; W474-R476 PolarHBondContact O-N 3.06Å; R476-N543 WeakPolarHBondContact CD-OD1 3.37Å; R476-N543 PolarHBondContact NH1-OD1 3.44Å; R476-V555 HydrophobicContact CB-CG2 4.45Å; R476-V555 HydrophobicContact CG-CG1 4.09Å; R476-V555 HydrophobicContact CG-CG2 3.96Å
477	T	95.2	Very high	79.8	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.037	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-94.7	-8.1	179.3	68.9	0	0	0	0	113.6	L471 W474 P475 V555 K557	L471-T477 HydrophobicContact CB-CG2 4.31Å; L471-T477 PolarHBondContact O-OG1 3.07Å; W474-T477 HydrophobicContact CB-CG2 4.23Å; W474-T477 HydrophobicContact CD2-CG2 4.24Å; W474-T477 HydrophobicContact CE3-CG2 3.58Å; W474-T477 HydrophobicContact CZ3-CG2 4.34Å; W474-T477 PolarHBondContact O-N 2.83Å; W474-T477 PolarHBondContact O-OG1 2.93Å; P475-T477 PolarHBondContact O-N 2.77Å; T477-V555 HydrophobicContact CG2-CG2 4.22Å; T477-K557 PolarHBondContact O-NZ 3.49Å
478	H	93.3	Very high	76.9	Confident	46 Å²	46	74.7 Å²	74.7	21%	0.213	37%	0.367	C	S	.	.			trans	-77.2	137.4	-176	-68.1	178.7	0	0	0	110	E472 P475 V500	E472-H478 PolarHBondContact O-NE2 2.76Å; P475-H478 WeakPolarHBondContact O-CB 3.41Å; P475-H478 PolarHBondContact O-N 3.04Å; H478-V500 HydrophobicContact CB-CG1 3.5Å; H478-V500 VanDerWaalsContact CB-CG1 3.5Å
479	V	85.5	Confident	73.7	Confident	34 Å²	34	80.2 Å²	80.2	21%	0.206	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-104.2	124.8	176	-177.1	0	0	0	0	107.9	Q501	V479-Q501 HydrophobicContact CB-CB 4.5Å; V479-Q501 PolarHBondContact N-O 3.35Å; V479-Q501 PolarHBondContact O-N 3.01Å
480	N	76.7	Confident	70.9	Confident	86 Å²	86	87.8 Å²	87.8	46%	0.46	44%	0.442	S	S	.	.			trans	-79.6	134.9	171.3	-70.7	-39.2	0	0	0	108.5	M482 D483	N480-M482 PolarHBondContact O-N 2.89Å; N480-D483 PolarHBondContact O-N 3.36Å
481	P	64.4	Low	67.8	Low	49 Å²	49	96.2 Å²	96.2	32%	0.318	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-59.7	-21.1	-179.5	19.1	-28.9	0	0	0	113.8
482	M	55.1	Low	64.9	Low	140 Å²	140	102.9 Å²	102.9	69%	0.69	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-75.3	-17.9	176.8	-66.7	-165.4	88.8	0	0	114.6	N480 E484	N480-M482 PolarHBondContact O-N 2.89Å; M482-E484 VanDerWaalsContact C-N 3.29Å; M482-E484 PolarHBondContact O-N 3.43Å
483	D	54.3	Low	61.7	Low	117 Å²	117	110 Å²	110	63%	0.626	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-78.7	-12.8	-178.1	-66.2	-35.3	0	0	0	112.6	N480	N480-D483 PolarHBondContact O-N 3.36Å
484	E	51.1	Low	58.7	Low	145 Å²	145	109.8 Å²	109.8	68%	0.678	58%	0.58	S	S	*	*	S	Bend	trans	-93.8	-18.7	175.5	-67.8	-171	163.9	0	0	113.4	M482	M482-E484 VanDerWaalsContact C-N 3.29Å; M482-E484 PolarHBondContact O-N 3.43Å
485	E	45.3	Very low	55.6	Low	139 Å²	139	120 Å²	120	65%	0.65	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-88.9	-1.4	-172.8	-74.4	-172.5	169.5	0	0	115.3	N487 E488	E485-N487 PolarHBondContact O-N 2.82Å; E485-E488 PolarHBondContact O-N 3.3Å
486	E	42.3	Very low	52.9	Low	184 Å²	184	125.5 Å²	125.5	86%	0.86	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-67.6	4.7	178	-77.8	-163.4	158.9	0	0	114.7
487	N	38.6	Very low	50.1	Low	155 Å²	155	126.7 Å²	126.7	83%	0.829	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-117.7	-1.3	174.5	-81.2	-42.2	0	0	0	116.5	E485	E485-N487 PolarHBondContact O-N 2.82Å
488	E	38	Very low	47.9	Very low	176 Å²	176	132.7 Å²	132.7	82%	0.822	69%	0.691	S	S	*	*			trans	-140.2	102.1	173.7	-73.4	-164.2	164.2	0	0	112.7	E485 N490	E485-E488 PolarHBondContact O-N 3.3Å; E488-N490 PolarHBondContact O-N 3.45Å
489	V	32.1	Very low	46.5	Very low	137 Å²	137	139.8 Å²	139.8	83%	0.83	72%	0.716	S	S	*	*			trans	-76.8	109.3	170.6	-169.1	0	0	0	0	108.4
490	N	38.2	Very low	46.1	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	72%	0.721	S	S	*	*			trans	-172.3	118	144.5	-92	-31.1	0	0	0	113.2	E488	E488-N490 PolarHBondContact O-N 3.45Å
491	H	32.7	Very low	46.4	Very low	178 Å²	178	142.1 Å²	142.1	82%	0.824	73%	0.725	S	S	*	*			trans	-52.7	132.1	171	-75.8	-77.1	0	0	0	114.5
492	V	37.9	Very low	47.4	Very low	144 Å²	144	144.9 Å²	144.9	87%	0.873	73%	0.732	S	S	*	*			trans	-149.7	130.9	134.4	-167.2	0	0	0	0	110.6
493	N	30.2	Very low	49.1	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	71%	0.705	S	S	*	*			trans	-54.9	133.2	179.2	-61.6	-41	0	0	0	114.7
494	G	34.3	Very low	50.9	Low	68 Å²	68	134 Å²	134	70%	0.701	68%	0.679	S	S	*	*			trans	-170.6	121.3	162.3	0	0	0	0	0	110.6	Q496	G494-Q496 VanDerWaalsContact C-N 3.25Å; G494-Q496 PolarHBondContact O-N 3.37Å
495	E	32.7	Very low	52.9	Low	215 Å²	215	130.3 Å²	130.3	100%	1.005	68%	0.681	S	S	*	*			trans	-65.2	82	174.2	-65.9	177.4	159.1	0	0	110
496	Q	37.2	Very low	55.2	Low	177 Å²	177	128.2 Å²	128.2	83%	0.827	67%	0.667	S	S	*	*			trans	-101.8	121	164.5	-87.6	177.3	-10	0	0	107.8	G494 N498	G494-Q496 VanDerWaalsContact C-N 3.25Å; G494-Q496 PolarHBondContact O-N 3.37Å; Q496-N498 PolarHBondContact O-N 2.87Å
497	E	38.1	Very low	57.8	Low	145 Å²	145	120.3 Å²	120.3	68%	0.678	63%	0.63	S	S	*	*			trans	-48.6	113.8	173.2	-76.9	-174.2	154.7	0	0	109.7	R499	E497-R499 HydrophobicContact CB-CG 4.24Å; E497-R499 PolarHBondContact O-N 2.84Å; E497-R499 IonicContact OE2-CZ 3.08Å; E497-R499 VanDerWaalsContact OE2-CZ 3.28Å; E497-R499 IonicContact OE2-NE 2.72Å; E497-R499 PolarHBondContact OE2-NE 2.98Å; E497-R499 IonicContact OE2-NH2 2.68Å; E497-R499 PolarHBondContact OE2-NH2 3.28Å
498	N	47.5	Very low	60.6	Low	132 Å²	132	119 Å²	119	71%	0.706	62%	0.619	S	S	*	*			trans	-58.9	75.8	171.1	-89.5	-26.7	0	0	0	110.7	Q496 V500	Q496-N498 PolarHBondContact O-N 2.87Å; N498-V500 PolarHBondContact O-N 2.86Å
499	R	65.5	Low	63.4	Low	195 Å²	195	110.8 Å²	110.8	74%	0.736	58%	0.581	S	S	*	*			trans	-83.7	107.1	176.2	-71.7	-174.1	-177.5	-172.9	1.5	108.5	E497 Q501	E497-R499 HydrophobicContact CB-CG 4.24Å; E497-R499 PolarHBondContact O-N 2.84Å; E497-R499 IonicContact OE2-CZ 3.08Å; E497-R499 VanDerWaalsContact OE2-CZ 3.28Å; E497-R499 IonicContact OE2-NE 2.72Å; E497-R499 PolarHBondContact OE2-NE 2.98Å; E497-R499 IonicContact OE2-NH2 2.68Å; E497-R499 PolarHBondContact OE2-NH2 3.28Å; R499-Q501 PolarHBondContact O-N 2.61Å
500	V	77	Confident	66.6	Low	52 Å²	52	105.8 Å²	105.8	32%	0.315	55%	0.551	S	S	.	*			trans	-41.2	125.2	167.5	177.6	0	0	0	0	110	H478 N498 K502	H478-V500 HydrophobicContact CB-CG1 3.5Å; H478-V500 VanDerWaalsContact CB-CG1 3.5Å; N498-V500 PolarHBondContact O-N 2.86Å; V500-K502 HydrophobicContact CG1-CG 4.32Å; V500-K502 PolarHBondContact O-N 2.77Å
501	Q	81.4	Confident	69.5	Low	116 Å²	116	100.7 Å²	100.7	54%	0.542	53%	0.527	S	S	.	.	B	Isolated β-bridge	trans	-73.3	120.3	178.9	-168.4	178.7	13.6	0	0	109.2	V479 R499	V479-Q501 HydrophobicContact CB-CB 4.5Å; V479-Q501 PolarHBondContact N-O 3.35Å; V479-Q501 PolarHBondContact O-N 3.01Å; R499-Q501 PolarHBondContact O-N 2.61Å
502	K	86.9	Confident	72.6	Confident	107 Å²	107	94 Å²	94	47%	0.465	50%	0.496	S	S	.	.			trans	-118.2	145.9	-177.9	-60.9	-178.2	-175.6	178.1	0	110.6	E472 V500	E472-K502 HydrophobicContact CG-CB 4.15Å; V500-K502 HydrophobicContact CG1-CG 4.32Å; V500-K502 PolarHBondContact O-N 2.77Å
503	G	89.7	Confident	75.5	Confident	12 Å²	12	87.3 Å²	87.3	12%	0.124	46%	0.455	C	S	.	.	S	Bend	trans	71.4	-148.7	173.9	0	0	0	0	0	113.2
504	N	93.1	Very high	78.8	Confident	16 Å²	16	79.8 Å²	79.8	9%	0.086	42%	0.415	C	S	.	.			trans	-106.1	-7.7	-172.3	68.1	35.5	0	0	0	114.6	L465 Q468 Y506 F507	L465-N504 HydrophobicContact CB-CB 4.49Å; L465-N504 HydrophobicContact CD2-CB 3.75Å; L465-N504 PolarHBondContact O-ND2 2.77Å; Q468-N504 HydrophobicContact CB-CB 3.87Å; Q468-N504 VanDerWaalsContact OE1-CB 3.32Å; N504-Y506 VanDerWaalsContact C-N 3.34Å; N504-Y506 WeakPolarHBondContact O-CD2 3.11Å; N504-Y506 WeakPolarHBondContact O-CE2 3.27Å; N504-Y506 PolarHBondContact O-N 2.86Å; N504-Y506 WeakPolarHBondContact OD1-CA 3.23Å; N504-Y506 PolarHBondContact OD1-N 2.82Å; N504-F507 VanDerWaalsContact ND2-CE1 3.31Å; N504-F507 WeakPolarHBondContact ND2-CE1 3.38Å; N504-F507 VanDerWaalsContact ND2-CZ 3.33Å; N504-F507 WeakPolarHBondContact ND2-CZ 3.26Å; N504-F507 PolarHBondContact ND2-O 2.86Å; N504-F507 PolarHBondContact OD1-N 3.24Å; N504-F507 PolarHBondContact OD1-O 3Å
505	G	91.9	Very high	81.8	Confident	69 Å²	69	76.6 Å²	76.6	71%	0.711	38%	0.382	S	S	*	.	S	Bend	trans	82.5	-7.3	-179.7	0	0	0	0	0	116.6
506	Y	94	Very high	84.9	Confident	94 Å²	94	67.2 Å²	67.2	37%	0.369	34%	0.339	S	S	.	.	S	Bend	trans	-112.1	-40.1	-175.6	-62.8	-83	0	0	0	113.9	F450 L460 L465 N504	F450-Y506 HydrophobicContact CB-CD1 3.82Å; F450-Y506 HydrophobicContact CB-CE1 4.4Å; F450-Y506 HydrophobicContact CD1-CD1 4.39Å; F450-Y506 HydrophobicContact CD2-CD1 4.1Å; F450-Y506 HydrophobicContact CD2-CG 4.41Å; F450-Y506 AromaticContact CG-CD1 3.86Å; F450-Y506 HydrophobicContact CG-CD1 3.86Å; F450-Y506 HydrophobicContact CG-CG 4.4Å; L460-Y506 HydrophobicContact CD1-CD1 4.16Å; L460-Y506 HydrophobicContact CD1-CE1 3.91Å; L460-Y506 HydrophobicContact CD1-CE2 4.37Å; L460-Y506 HydrophobicContact CD1-CG 4.48Å; L460-Y506 HydrophobicContact CD2-CE1 4.25Å; L460-Y506 HydrophobicContact CD2-CE2 3.83Å; L460-Y506 WeakPolarHBondContact CD2-OH 3.37Å; L465-Y506 HydrophobicContact CD1-CD2 4.3Å; L465-Y506 HydrophobicContact CD2-CD2 3.68Å; L465-Y506 HydrophobicContact CD2-CE2 3.99Å; N504-Y506 VanDerWaalsContact C-N 3.34Å; N504-Y506 WeakPolarHBondContact O-CD2 3.11Å; N504-Y506 WeakPolarHBondContact O-CE2 3.27Å; N504-Y506 PolarHBondContact O-N 2.86Å; N504-Y506 WeakPolarHBondContact OD1-CA 3.23Å; N504-Y506 PolarHBondContact OD1-N 2.82Å
507	F	96.3	Very high	87.8	Confident	18 Å²	18	58.8 Å²	58.8	8%	0.079	30%	0.299	C	S	.	.			trans	-156.4	161.5	179.9	67.3	-87.7	0	0	0	111.6	L390 K391 F450 L465 A469 N504 V509	L390-F507 HydrophobicContact CD1-CE1 3.72Å; L390-F507 HydrophobicContact CD1-CE2 4.37Å; L390-F507 HydrophobicContact CD1-CZ 3.42Å; L390-F507 VanDerWaalsContact CD1-CZ 3.42Å; L390-F507 HydrophobicContact CD2-CD1 4.38Å; L390-F507 HydrophobicContact CD2-CE1 3.83Å; L390-F507 HydrophobicContact CD2-CZ 4.29Å; L390-F507 HydrophobicContact CG-CD1 4.32Å; L390-F507 HydrophobicContact CG-CE1 3.56Å; L390-F507 HydrophobicContact CG-CE2 4.17Å; L390-F507 HydrophobicContact CG-CZ 3.49Å; L390-F507 VanDerWaalsContact CG-CZ 3.49Å; L390-F507 WeakPolarHBondContact O-CE2 3.43Å; L390-F507 WeakPolarHBondContact O-CZ 3.28Å; K391-F507 HydrophobicContact CG-CB 4.22Å; K391-F507 HydrophobicContact CG-CD2 4.18Å; K391-F507 HydrophobicContact CG-CG 4.21Å; F450-F507 HydrophobicContact CE1-CB 4.33Å; F450-F507 HydrophobicContact CE1-CD1 4.13Å; F450-F507 HydrophobicContact CE2-CD1 4.44Å; F450-F507 AromaticContact CZ-CD1 3.6Å; F450-F507 HydrophobicContact CZ-CD1 3.6Å; F450-F507 HydrophobicContact CZ-CE1 4.26Å; F450-F507 HydrophobicContact CZ-CG 4.44Å; L465-F507 HydrophobicContact CB-CE1 3.85Å; L465-F507 HydrophobicContact CB-CZ 4.14Å; L465-F507 HydrophobicContact CD1-CE1 4.3Å; A469-F507 HydrophobicContact CB-CD2 4.26Å; A469-F507 HydrophobicContact CB-CE2 3.63Å; A469-F507 HydrophobicContact CB-CZ 4.21Å; N504-F507 VanDerWaalsContact ND2-CE1 3.31Å; N504-F507 WeakPolarHBondContact ND2-CE1 3.38Å; N504-F507 VanDerWaalsContact ND2-CZ 3.33Å; N504-F507 WeakPolarHBondContact ND2-CZ 3.26Å; N504-F507 PolarHBondContact ND2-O 2.86Å; N504-F507 PolarHBondContact OD1-N 3.24Å; N504-F507 PolarHBondContact OD1-O 3Å; F507-V509 HydrophobicContact CE2-CG1 4.24Å
508	Q	97.3	Very high	90.6	Very high	128 Å²	128	52.4 Å²	52.4	60%	0.598	27%	0.272	S	S	*	.			trans	-115.4	147.6	171.1	-60.9	-178.4	-45.7	0	0	109.4	E472	E472-Q508 PolarHBondContact OE1-NE2 3.37Å; E472-Q508 WeakPolarHBondContact OE2-CG 3.41Å
509	V	98.4	Very high	92.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	25%	0.248	C	C	.	.			trans	-86.7	155.3	167.6	-66.2	0	0	0	0	109.6	A392 L466 A469 L470 F507	A392-V509 HydrophobicContact CB-CB 4.18Å; A392-V509 HydrophobicContact CB-CG1 3.91Å; L466-V509 HydrophobicContact CD1-CG1 4.08Å; A469-V509 HydrophobicContact CB-CG1 3.88Å; A469-V509 HydrophobicContact CB-CG2 4.36Å; L470-V509 HydrophobicContact CD2-CG1 4.41Å; L470-V509 HydrophobicContact CD2-CG2 4.33Å; F507-V509 HydrophobicContact CE2-CG1 4.24Å
510	P	98.5	Very high	93.9	Very high	32 Å²	32	40.4 Å²	40.4	21%	0.208	23%	0.226	C	C	.	.			trans	-54.6	128.7	174.5	-25.7	34.3	0	0	0	111.1	K391 H512 T513	K391-P510 WeakPolarHBondContact O-CD 3.21Å; P510-H512 WeakPolarHBondContact CB-CE1 3.4Å; P510-H512 PolarHBondContact O-N 3.1Å; P510-H512 VanDerWaalsContact O-N 3.08Å; P510-T513 WeakPolarHBondContact O-CB 2.84Å; P510-T513 PolarHBondContact O-N 2.88Å; P510-T513 PolarHBondContact O-OG1 2.89Å
511	P	98.4	Very high	94.1	Very high	53 Å²	53	41.7 Å²	41.7	34%	0.344	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.8	-171.7	-23.5	32.5	0	0	0	114.5	Y473 T513 R531	Y473-P511 HydrophobicContact CE2-CB 4.48Å; P511-T513 VanDerWaalsContact C-N 3.29Å; P511-R531 HydrophobicContact CB-CB 3.86Å; P511-R531 WeakPolarHBondContact O-CB 3.21Å; P511-R531 WeakPolarHBondContact O-CG 3.19Å; P511-R531 PolarHBondContact O-N 2.75Å
512	H	98.4	Very high	94.2	Very high	38 Å²	38	37.5 Å²	37.5	18%	0.176	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.1	174.9	67.1	-87.3	0	0	0	113.8	R22 E24 P510 P514	R22-H512 PolarHBondContact O-NE2 3.05Å; E24-H512 VanDerWaalsContact CA-CD2 3.4Å; E24-H512 WeakPolarHBondContact CA-CD2 3.45Å; E24-H512 HydrophobicContact CB-CB 3.92Å; E24-H512 HydrophobicContact CG-CB 3.8Å; E24-H512 PolarHBondContact N-CD2 2.87Å; E24-H512 PolarHBondContact N-NE2 2.91Å; P510-H512 WeakPolarHBondContact CB-CE1 3.4Å; P510-H512 PolarHBondContact O-N 3.1Å; P510-H512 VanDerWaalsContact O-N 3.08Å; H512-P514 WeakPolarHBondContact O-CD 3.37Å
513	T	98.7	Very high	94.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	23%	0.23	C	C	.	.			trans	-60.2	118.5	179.4	-61.2	0	0	0	0	109.8	Y19 L470 P510 P511 V515 C530	Y19-T513 HydrophobicContact CD2-CG2 3.86Å; Y19-T513 HydrophobicContact CG-CG2 4.29Å; L470-T513 HydrophobicContact CD2-CG2 4.29Å; P510-T513 WeakPolarHBondContact O-CB 2.84Å; P510-T513 PolarHBondContact O-N 2.88Å; P510-T513 PolarHBondContact O-OG1 2.89Å; P511-T513 VanDerWaalsContact C-N 3.29Å; T513-V515 PolarHBondContact O-N 2.91Å; T513-C530 PolarHBondContact O-N 2.9Å
514	P	98.6	Very high	94.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.7	174.6	-18.2	32.5	0	0	0	110.4	Y19 V20 H512 L528 L529	Y19-P514 WeakPolarHBondContact CA-O 3.28Å; Y19-P514 WeakPolarHBondContact CB-O 3.45Å; V20-P514 HydrophobicContact CB-CG 4.4Å; V20-P514 PolarHBondContact N-O 3.13Å; H512-P514 WeakPolarHBondContact O-CD 3.37Å; P514-L528 CarbonylContact C-O 3.55Å; P514-L528 WeakPolarHBondContact CA-O 3.39Å; P514-L529 HydrophobicContact CB-CD2 4.23Å; P514-L529 HydrophobicContact CG-CD2 4.04Å
515	V	98.6	Very high	94.6	Very high	1 Å²	1	38 Å²	38	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.4	173.9	-172.5	0	0	0	0	108.6	V17 S18 L470 T513 F517 R527 L528 C530	V17-V515 HydrophobicContact CG1-CG1 4.14Å; S18-V515 CarbonylContact O-C 3.58Å; L470-V515 HydrophobicContact CB-CG2 4.29Å; L470-V515 HydrophobicContact CD2-CG2 4.07Å; T513-V515 PolarHBondContact O-N 2.91Å; V515-F517 HydrophobicContact CG1-CE2 3.87Å; V515-F517 HydrophobicContact CG1-CZ 3.99Å; V515-R527 WeakPolarHBondContact O-CA 3.48Å; V515-L528 HydrophobicContact CB-CD2 3.96Å; V515-L528 HydrophobicContact CG1-CD2 4.46Å; V515-L528 PolarHBondContact N-O 2.9Å; V515-L528 PolarHBondContact O-N 2.82Å; V515-C530 HydrophobicContact CG2-CB 4.33Å
516	I	98.5	Very high	94.8	Very high	17 Å²	17	36 Å²	36	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.7	-171.5	-58.9	164.1	0	0	0	108.9	V17 S18 V20 T75 T524 R527	V17-I516 CarbonylContact C-O 3.59Å; S18-I516 PolarHBondContact N-O 3.02Å; S18-I516 PolarHBondContact O-N 3.16Å; V20-I516 HydrophobicContact CG2-CD1 4.2Å; T75-I516 HydrophobicContact CG2-CD1 3.91Å; T75-I516 HydrophobicContact CG2-CG1 4.11Å; T75-I516 HydrophobicContact CG2-CG2 3.84Å; I516-T524 HydrophobicContact CG2-CG2 4.04Å; I516-R527 HydrophobicContact CG1-CB 4.43Å; I516-R527 HydrophobicContact CG1-CG 4.06Å
517	F	98.1	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.1	170.9	-60.9	-86.8	0	0	0	108.8	V15 V17 L471 V515 L525 F526 L528 L542 V546	V15-F517 HydrophobicContact CG1-CB 4.47Å; V17-F517 HydrophobicContact CB-CE1 4.5Å; V17-F517 HydrophobicContact CG1-CE1 4.15Å; V17-F517 HydrophobicContact CG2-CD1 3.91Å; V17-F517 HydrophobicContact CG2-CE1 3.7Å; L471-F517 HydrophobicContact CD2-CZ 4.19Å; V515-F517 HydrophobicContact CG1-CE2 3.87Å; V515-F517 HydrophobicContact CG1-CZ 3.99Å; F517-L525 WeakPolarHBondContact O-CA 3.2Å; F517-L525 WeakPolarHBondContact O-CB 3.49Å; F517-L525 PolarHBondContact O-N 3.33Å; F517-F526 HydrophobicContact CD2-CD1 4.28Å; F517-F526 PolarHBondContact N-O 3.26Å; F517-F526 PolarHBondContact O-N 3.19Å; F517-L528 HydrophobicContact CD2-CD2 4.44Å; F517-L528 HydrophobicContact CE2-CD2 3.93Å; F517-L542 HydrophobicContact CD2-CD2 4.48Å; F517-L542 HydrophobicContact CE2-CD2 3.62Å; F517-L542 HydrophobicContact CZ-CD2 4.02Å; F517-V546 HydrophobicContact CD1-CG2 4.49Å; F517-V546 HydrophobicContact CE1-CB 4.47Å; F517-V546 HydrophobicContact CE1-CG1 4.49Å; F517-V546 HydrophobicContact CE1-CG2 3.82Å; F517-V546 HydrophobicContact CE2-CG2 4.37Å; F517-V546 HydrophobicContact CZ-CG2 3.77Å
518	G	95.7	Very high	95	Very high	11 Å²	11	32.9 Å²	32.9	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.7	-175.8	0	0	0	0	0	113.5	V15 Q16 R523	V15-G518 CarbonylContact C-O 3.36Å; V15-G518 WeakPolarHBondContact CA-O 3.47Å; Q16-G518 PolarHBondContact N-O 2.89Å; Q16-G518 PolarHBondContact O-N 2.85Å; Q16-G518 VanDerWaalsContact O-N 3.1Å; G518-R523 WeakPolarHBondContact CA-O 3.44Å
519	E	93.8	Very high	95.1	Very high	43 Å²	43	28.3 Å²	28.3	20%	0.201	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139	171.1	-61.9	178.1	143.1	0	0	110.4	R13 G521 G522 R523 L525	R13-E519 HydrophobicContact CB-CB 4.03Å; R13-E519 HydrophobicContact CB-CG 4.34Å; E519-G521 PolarHBondContact O-N 2.94Å; E519-G521 VanDerWaalsContact O-N 3.13Å; E519-G522 PolarHBondContact O-N 3Å; E519-R523 PolarHBondContact N-O 2.86Å; E519-R523 PolarHBondContact OE2-N 2.96Å; E519-L525 HydrophobicContact CG-CD1 4.44Å; E519-L525 HydrophobicContact CG-CD2 4.15Å; E519-L525 HydrophobicContact CG-CG 4.38Å
520	A	89.7	Confident	95.1	Very high	33 Å²	33	28.1 Å²	28.1	27%	0.273	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	120	173.5	0	0	0	0	0	111.3	R13 K14 Q16 G522	R13-A520 PolarHBondContact NH1-O 2.8Å; K14-A520 PolarHBondContact O-N 2.83Å; Q16-A520 HydrophobicContact CG-CB 4.26Å; A520-G522 PolarHBondContact O-N 2.75Å
521	G	80.9	Confident	95	Very high	79 Å²	79	31.8 Å²	31.8	81%	0.814	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	28	-176.4	0	0	0	0	0	114.1	R13 E519	R13-G521 PolarHBondContact NH1-O 3.13Å; E519-G521 PolarHBondContact O-N 2.94Å; E519-G521 VanDerWaalsContact O-N 3.13Å
522	G	82.1	Confident	95	Very high	28 Å²	28	32.2 Å²	32.2	29%	0.289	18%	0.184	S	C	.	.	S	Bend	trans	-142.7	-146.3	-169.6	0	0	0	0	0	113.8	E519 A520	E519-G522 PolarHBondContact O-N 3Å; A520-G522 PolarHBondContact O-N 2.75Å
523	R	90.2	Very high	94.9	Very high	78 Å²	78	30.4 Å²	30.4	29%	0.294	18%	0.176	S	C	.	.			trans	-78.2	142.8	-170.4	-60	-173.6	178.7	79.3	3	111.2	H116 G518 E519 L525	H116-R523 PolarHBondContact O-NH2 3.36Å; G518-R523 WeakPolarHBondContact CA-O 3.44Å; E519-R523 PolarHBondContact N-O 2.86Å; E519-R523 PolarHBondContact OE2-N 2.96Å; R523-L525 PolarHBondContact O-N 2.96Å
524	T	93.9	Very high	94.7	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.141	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.3	161.4	-65.6	0	0	0	0	109.2	T75 R114 I516	T75-T524 HydrophobicContact CG2-CG2 3.68Å; T75-T524 PolarHBondContact OG1-OG1 2.82Å; R114-T524 PolarHBondContact NH1-O 2.82Å; I516-T524 HydrophobicContact CG2-CG2 4.04Å
525	L	94.3	Very high	94.5	Very high	44 Å²	44	33.5 Å²	33.5	23%	0.23	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-54.2	179.1	-59.8	-179.9	0	0	0	110.3	V15 R114 F517 E519 R523 T545	V15-L525 HydrophobicContact CG1-CD1 4.04Å; V15-L525 HydrophobicContact CG2-CD1 3.78Å; R114-L525 PolarHBondContact NH1-O 2.91Å; R114-L525 PolarHBondContact NH2-O 2.9Å; F517-L525 WeakPolarHBondContact O-CA 3.2Å; F517-L525 WeakPolarHBondContact O-CB 3.49Å; F517-L525 PolarHBondContact O-N 3.33Å; E519-L525 HydrophobicContact CG-CD1 4.44Å; E519-L525 HydrophobicContact CG-CD2 4.15Å; E519-L525 HydrophobicContact CG-CG 4.38Å; R523-L525 PolarHBondContact O-N 2.96Å; L525-T545 HydrophobicContact CB-CG2 4.39Å
526	F	95.7	Very high	94.4	Very high	27 Å²	27	42 Å²	42	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	149.3	-176.9	-177.3	-133.1	0	0	0	111.4	F517 L528 E538 L541 L542 T545	F517-F526 HydrophobicContact CD2-CD1 4.28Å; F517-F526 PolarHBondContact N-O 3.26Å; F517-F526 PolarHBondContact O-N 3.19Å; F526-L528 HydrophobicContact CD1-CD2 4.14Å; F526-L528 HydrophobicContact CE1-CB 4.14Å; F526-L528 HydrophobicContact CE1-CD1 3.92Å; F526-L528 HydrophobicContact CE1-CD2 3.84Å; F526-L528 HydrophobicContact CE1-CG 4.18Å; F526-L528 HydrophobicContact CZ-CB 3.94Å; F526-L528 HydrophobicContact CZ-CD1 4.27Å; F526-L528 HydrophobicContact CZ-CD2 4.49Å; F526-L528 HydrophobicContact CZ-CG 4.46Å; F526-E538 HydrophobicContact CZ-CB 4.39Å; F526-E538 HydrophobicContact CZ-CG 4.37Å; F526-L541 HydrophobicContact CD1-CB 4.17Å; F526-L541 HydrophobicContact CD2-CB 4.23Å; F526-L541 HydrophobicContact CD2-CD1 4.03Å; F526-L541 HydrophobicContact CE1-CB 3.87Å; F526-L541 HydrophobicContact CE2-CB 3.95Å; F526-L541 HydrophobicContact CE2-CD1 3.46Å; F526-L541 VanDerWaalsContact CE2-CD1 3.46Å; F526-L541 HydrophobicContact CE2-CG 4.33Å; F526-L541 HydrophobicContact CG-CB 4.36Å; F526-L541 HydrophobicContact CZ-CB 3.76Å; F526-L541 HydrophobicContact CZ-CD1 3.89Å; F526-L541 HydrophobicContact CZ-CG 4.5Å; F526-L542 HydrophobicContact CD1-CD2 4.18Å; F526-L542 HydrophobicContact CE1-CD2 3.97Å; F526-L542 HydrophobicContact CE1-CG 4.02Å; F526-T545 HydrophobicContact CB-CG2 4.01Å
527	R	97.5	Very high	94.1	Very high	38 Å²	38	45.1 Å²	45.1	14%	0.143	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.2	177.2	174.9	-173.9	-179.1	-82.3	4.9	108.2	E72 H73 V515 I516	E72-R527 IonicContact OE2-NH2 3.65Å; E72-R527 PolarHBondContact OE2-NH2 2.88Å; H73-R527 WeakPolarHBondContact O-CD 3.34Å; V515-R527 WeakPolarHBondContact O-CA 3.48Å; I516-R527 HydrophobicContact CG1-CB 4.43Å; I516-R527 HydrophobicContact CG1-CG 4.06Å
528	L	98.1	Very high	94	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	169.6	174	73.2	172.8	0	0	0	110.3	P514 V515 F517 F526 S533 E538 L542	P514-L528 CarbonylContact C-O 3.55Å; P514-L528 WeakPolarHBondContact CA-O 3.39Å; V515-L528 HydrophobicContact CB-CD2 3.96Å; V515-L528 HydrophobicContact CG1-CD2 4.46Å; V515-L528 PolarHBondContact N-O 2.9Å; V515-L528 PolarHBondContact O-N 2.82Å; F517-L528 HydrophobicContact CD2-CD2 4.44Å; F517-L528 HydrophobicContact CE2-CD2 3.93Å; F526-L528 HydrophobicContact CD1-CD2 4.14Å; F526-L528 HydrophobicContact CE1-CB 4.14Å; F526-L528 HydrophobicContact CE1-CD1 3.92Å; F526-L528 HydrophobicContact CE1-CD2 3.84Å; F526-L528 HydrophobicContact CE1-CG 4.18Å; F526-L528 HydrophobicContact CZ-CB 3.94Å; F526-L528 HydrophobicContact CZ-CD1 4.27Å; F526-L528 HydrophobicContact CZ-CD2 4.49Å; F526-L528 HydrophobicContact CZ-CG 4.46Å; L528-S533 WeakPolarHBondContact CD1-OG 3.29Å; L528-E538 HydrophobicContact CD1-CB 4.4Å; L528-L542 HydrophobicContact CD1-CD1 3.98Å; L528-L542 HydrophobicContact CD1-CD2 4.1Å; L528-L542 HydrophobicContact CD1-CG 4.21Å; L528-L542 HydrophobicContact CD2-CD2 4.22Å
529	L	98.3	Very high	94	Very high	33 Å²	33	48.8 Å²	48.8	17%	0.173	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	149.5	163.5	-50.6	179.2	0	0	0	109.1	P514 R531 D532	P514-L529 HydrophobicContact CB-CD2 4.23Å; P514-L529 HydrophobicContact CG-CD2 4.04Å; L529-R531 VanDerWaalsContact C-N 3.25Å; L529-R531 HydrophobicContact CB-CG 4.39Å; L529-R531 PolarHBondContact O-N 2.75Å; L529-D532 VanDerWaalsContact CB-OD2 3.28Å; L529-D532 WeakPolarHBondContact CB-OD2 3.33Å; L529-D532 WeakPolarHBondContact CG-OD2 3.43Å; L529-D532 PolarHBondContact O-N 2.95Å
530	C	98.1	Very high	94.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-47.4	-47.7	179.1	-179.4	0	0	0	0	112.4	L470 T513 V515 D532 S533	L470-C530 PolarHBondContact O-SG 2.97Å; L470-C530 VanDerWaalsContact O-SG 3.37Å; T513-C530 PolarHBondContact O-N 2.9Å; V515-C530 HydrophobicContact CG2-CB 4.33Å; C530-D532 VanDerWaalsContact C-N 3.28Å; C530-D532 PolarHBondContact O-N 3.41Å; C530-S533 WeakPolarHBondContact O-CB 3.27Å; C530-S533 PolarHBondContact O-N 3Å; C530-S533 PolarHBondContact O-OG 2.99Å
531	R	97.8	Very high	94.4	Very high	109 Å²	109	52.5 Å²	52.5	41%	0.411	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.1	-24	179.9	71.5	-174.4	175.8	-158.8	-8	115.3	E24 P511 L529 S533	E24-R531 IonicContact OE1-CZ 3.8Å; E24-R531 VanDerWaalsContact OE1-CZ 3.25Å; E24-R531 IonicContact OE1-NH1 3.01Å; E24-R531 PolarHBondContact OE1-NH1 3.4Å; E24-R531 IonicContact OE1-NH2 3.68Å; E24-R531 PolarHBondContact OE1-NH2 2.77Å; P511-R531 HydrophobicContact CB-CB 3.86Å; P511-R531 WeakPolarHBondContact O-CB 3.21Å; P511-R531 WeakPolarHBondContact O-CG 3.19Å; P511-R531 PolarHBondContact O-N 2.75Å; L529-R531 VanDerWaalsContact C-N 3.25Å; L529-R531 HydrophobicContact CB-CG 4.39Å; L529-R531 PolarHBondContact O-N 2.75Å; R531-S533 VanDerWaalsContact C-N 3.27Å; R531-S533 PolarHBondContact O-N 2.98Å
532	D	97.5	Very high	95.2	Very high	61 Å²	61	48.7 Å²	48.7	33%	0.326	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-82.3	-8.5	-174.1	-58.3	-24.3	0	0	0	111.9	L529 C530 G534 G535 E538	L529-D532 VanDerWaalsContact CB-OD2 3.28Å; L529-D532 WeakPolarHBondContact CB-OD2 3.33Å; L529-D532 WeakPolarHBondContact CG-OD2 3.43Å; L529-D532 PolarHBondContact O-N 2.95Å; C530-D532 VanDerWaalsContact C-N 3.28Å; C530-D532 PolarHBondContact O-N 3.41Å; D532-G534 PolarHBondContact O-N 2.95Å; D532-G535 PolarHBondContact O-N 3.39Å; D532-E538 HydrophobicContact CB-CG 4.35Å; D532-E538 WeakPolarHBondContact O-CB 3.48Å; D532-E538 WeakPolarHBondContact O-CG 3.39Å
533	S	96.8	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58.4	-16.4	-178.1	-51.1	0	0	0	0	114.7	Y473 L528 C530 R531	Y473-S533 CarbonylContact O-C 3.53Å; L528-S533 WeakPolarHBondContact CD1-OG 3.29Å; C530-S533 WeakPolarHBondContact O-CB 3.27Å; C530-S533 PolarHBondContact O-N 3Å; C530-S533 PolarHBondContact O-OG 2.99Å; R531-S533 VanDerWaalsContact C-N 3.27Å; R531-S533 PolarHBondContact O-N 2.98Å
534	G	94.5	Very high	96.1	Very high	45 Å²	45	53.9 Å²	53.9	46%	0.464	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-83.7	-11.9	175.9	0	0	0	0	0	115.1	Y473 D532	Y473-G534 WeakPolarHBondContact O-CA 3.33Å; Y473-G534 PolarHBondContact O-N 2.86Å; D532-G534 PolarHBondContact O-N 2.95Å
535	G	95.1	Very high	96.2	Very high	26 Å²	26	54 Å²	54	27%	0.268	28%	0.284	S	S	.	.	S	Bend	trans	-65.5	147.2	177.5	0	0	0	0	0	112.1	D532 T537 E538 S539	D532-G535 PolarHBondContact O-N 3.39Å; G535-T537 PolarHBondContact O-N 2.93Å; G535-E538 WeakPolarHBondContact CA-OE2 3.38Å; G535-E538 PolarHBondContact O-N 3.26Å; G535-S539 WeakPolarHBondContact O-CB 3.39Å; G535-S539 PolarHBondContact O-N 3.12Å
536	E	95.1	Very high	96.3	Very high	179 Å²	179	52.5 Å²	52.5	84%	0.836	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-45.3	-176.7	-174.3	-179.3	-178.7	0	0	111.8	M540	E536-M540 WeakPolarHBondContact O-CB 3.31Å; E536-M540 PolarHBondContact O-N 2.89Å
537	T	93.4	Very high	96.4	Very high	82 Å²	82	52.2 Å²	52.2	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-69.7	-43	179.2	-60.6	0	0	0	0	111.1	G535 M540 L541	G535-T537 PolarHBondContact O-N 2.93Å; T537-M540 PolarHBondContact O-N 3.17Å; T537-L541 HydrophobicContact CG2-CD1 4.11Å; T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.03Å
538	E	95.6	Very high	96.4	Very high	66 Å²	66	56 Å²	56	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-45.6	178.3	-70.1	72.3	-161.9	0	0	111.2	F526 L528 D532 G535 M540 L541 L542	F526-E538 HydrophobicContact CZ-CB 4.39Å; F526-E538 HydrophobicContact CZ-CG 4.37Å; L528-E538 HydrophobicContact CD1-CB 4.4Å; D532-E538 HydrophobicContact CB-CG 4.35Å; D532-E538 WeakPolarHBondContact O-CB 3.48Å; D532-E538 WeakPolarHBondContact O-CG 3.39Å; G535-E538 WeakPolarHBondContact CA-OE2 3.38Å; G535-E538 PolarHBondContact O-N 3.26Å; E538-M540 PolarHBondContact O-N 2.94Å; E538-L541 CarbonylContact O-C 3.39Å; E538-L541 PolarHBondContact O-N 3.26Å; E538-L542 VanDerWaalsContact O-CG 3.31Å; E538-L542 WeakPolarHBondContact O-CG 3.19Å; E538-L542 PolarHBondContact O-N 2.96Å
539	S	96	Very high	96.3	Very high	22 Å²	22	56.4 Å²	56.4	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-40.5	177	-175.6	0	0	0	0	111.7	W474 G535 L542 N543	W474-S539 PolarHBondContact NE1-OG 3.38Å; G535-S539 WeakPolarHBondContact O-CB 3.39Å; G535-S539 PolarHBondContact O-N 3.12Å; S539-L542 PolarHBondContact O-N 3.1Å; S539-N543 PolarHBondContact O-N 3.46Å; S539-N543 PolarHBondContact O-ND2 3.12Å
540	M	96	Very high	96.3	Very high	103 Å²	103	54.9 Å²	54.9	51%	0.507	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-47.4	172.2	-175.6	-175.4	72.7	0	0	111.3	E536 T537 E538 L542 N543 E544	E536-M540 WeakPolarHBondContact O-CB 3.31Å; E536-M540 PolarHBondContact O-N 2.89Å; T537-M540 PolarHBondContact O-N 3.17Å; E538-M540 PolarHBondContact O-N 2.94Å; M540-L542 PolarHBondContact O-N 3.17Å; M540-N543 WeakPolarHBondContact O-CB 3.29Å; M540-N543 PolarHBondContact O-N 3.49Å; M540-E544 PolarHBondContact O-N 2.85Å
541	L	95.2	Very high	96.2	Very high	51 Å²	51	55.3 Å²	55.3	27%	0.267	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-35.3	178	-70.1	169.9	0	0	0	112.7	F526 T537 E538 E544 T545	F526-L541 HydrophobicContact CD1-CB 4.17Å; F526-L541 HydrophobicContact CD2-CB 4.23Å; F526-L541 HydrophobicContact CD2-CD1 4.03Å; F526-L541 HydrophobicContact CE1-CB 3.87Å; F526-L541 HydrophobicContact CE2-CB 3.95Å; F526-L541 HydrophobicContact CE2-CD1 3.46Å; F526-L541 VanDerWaalsContact CE2-CD1 3.46Å; F526-L541 HydrophobicContact CE2-CG 4.33Å; F526-L541 HydrophobicContact CG-CB 4.36Å; F526-L541 HydrophobicContact CZ-CB 3.76Å; F526-L541 HydrophobicContact CZ-CD1 3.89Å; F526-L541 HydrophobicContact CZ-CG 4.5Å; T537-L541 HydrophobicContact CG2-CD1 4.11Å; T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.03Å; E538-L541 CarbonylContact O-C 3.39Å; E538-L541 PolarHBondContact O-N 3.26Å; L541-E544 PolarHBondContact O-N 2.76Å; L541-T545 WeakPolarHBondContact O-CB 3.28Å; L541-T545 WeakPolarHBondContact O-CG2 3.36Å; L541-T545 PolarHBondContact O-N 2.89Å; L541-T545 PolarHBondContact O-OG1 3.01Å
542	L	97.6	Very high	96.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-43.4	173	-74.1	171.5	0	0	0	111	L471 W474 F517 F526 L528 E538 S539 M540 E544 T545 V546	L471-L542 HydrophobicContact CD2-CD1 4.36Å; L471-L542 HydrophobicContact CD2-CD2 4.04Å; W474-L542 HydrophobicContact CB-CD1 4.08Å; W474-L542 VanDerWaalsContact CD1-CD1 3.49Å; W474-L542 HydrophobicContact CD2-CB 4.25Å; W474-L542 HydrophobicContact CD2-CD1 4.02Å; W474-L542 HydrophobicContact CG-CD1 3.63Å; W474-L542 HydrophobicContact CH2-CB 4.49Å; W474-L542 HydrophobicContact CZ2-CB 3.82Å; F517-L542 HydrophobicContact CD2-CD2 4.48Å; F517-L542 HydrophobicContact CE2-CD2 3.62Å; F517-L542 HydrophobicContact CZ-CD2 4.02Å; F526-L542 HydrophobicContact CD1-CD2 4.18Å; F526-L542 HydrophobicContact CE1-CD2 3.97Å; F526-L542 HydrophobicContact CE1-CG 4.02Å; L528-L542 HydrophobicContact CD1-CD1 3.98Å; L528-L542 HydrophobicContact CD1-CD2 4.1Å; L528-L542 HydrophobicContact CD1-CG 4.21Å; L528-L542 HydrophobicContact CD2-CD2 4.22Å; E538-L542 VanDerWaalsContact O-CG 3.31Å; E538-L542 WeakPolarHBondContact O-CG 3.19Å; E538-L542 PolarHBondContact O-N 2.96Å; S539-L542 PolarHBondContact O-N 3.1Å; M540-L542 PolarHBondContact O-N 3.17Å; L542-E544 PolarHBondContact O-N 3.38Å; L542-T545 PolarHBondContact O-N 3.17Å; L542-V546 HydrophobicContact CB-CG2 4.05Å; L542-V546 HydrophobicContact CD2-CG2 3.7Å; L542-V546 HydrophobicContact CG-CG2 4.5Å; L542-V546 WeakPolarHBondContact O-CB 3.47Å; L542-V546 WeakPolarHBondContact O-CG2 3.31Å; L542-V546 PolarHBondContact O-N 3.43Å
543	N	96.7	Very high	96.1	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-31.4	175.9	-75.7	-60	0	0	0	113.2	W474 R476 S539 M540	W474-N543 WeakPolarHBondContact CZ2-OD1 3.44Å; R476-N543 WeakPolarHBondContact CD-OD1 3.37Å; R476-N543 PolarHBondContact NH1-OD1 3.44Å; S539-N543 PolarHBondContact O-N 3.46Å; S539-N543 PolarHBondContact O-ND2 3.12Å; M540-N543 WeakPolarHBondContact O-CB 3.29Å; M540-N543 PolarHBondContact O-N 3.49Å
544	E	95.3	Very high	96.1	Very high	142 Å²	142	50.1 Å²	50.1	66%	0.664	27%	0.272	S	S	*	.	H	α-helix	trans	-84.9	-26.6	179.2	-66.6	-178.4	-176.1	0	0	113.9	M540 L541 L542	M540-E544 PolarHBondContact O-N 2.85Å; L541-E544 PolarHBondContact O-N 2.76Å; L542-E544 PolarHBondContact O-N 3.38Å
545	T	95.3	Very high	96.1	Very high	26 Å²	26	49.5 Å²	49.5	16%	0.16	26%	0.259	C	S	.	.	H	α-helix	trans	-113.7	-27.3	-166.1	57.5	0	0	0	0	115	L525 F526 L541 L542	L525-T545 HydrophobicContact CB-CG2 4.39Å; F526-T545 HydrophobicContact CB-CG2 4.01Å; L541-T545 WeakPolarHBondContact O-CB 3.28Å; L541-T545 WeakPolarHBondContact O-CG2 3.36Å; L541-T545 PolarHBondContact O-N 2.89Å; L541-T545 PolarHBondContact O-OG1 3.01Å; L542-T545 PolarHBondContact O-N 3.17Å
546	V	97.3	Very high	96.1	Very high	12 Å²	12	51.8 Å²	51.8	7%	0.073	27%	0.265	C	S	.	.	S	Bend	trans	-67.7	122.4	178.7	177.6	0	0	0	0	109	L471 W474 F517 L542 V550 I551	L471-V546 HydrophobicContact CD1-CG1 4.49Å; W474-V546 HydrophobicContact CH2-CB 4.27Å; W474-V546 HydrophobicContact CH2-CG1 4.48Å; W474-V546 HydrophobicContact CH2-CG2 4.23Å; W474-V546 HydrophobicContact CZ3-CB 4.42Å; W474-V546 HydrophobicContact CZ3-CG1 4.24Å; W474-V546 HydrophobicContact CZ3-CG2 4.23Å; F517-V546 HydrophobicContact CD1-CG2 4.49Å; F517-V546 HydrophobicContact CE1-CB 4.47Å; F517-V546 HydrophobicContact CE1-CG1 4.49Å; F517-V546 HydrophobicContact CE1-CG2 3.82Å; F517-V546 HydrophobicContact CE2-CG2 4.37Å; F517-V546 HydrophobicContact CZ-CG2 3.77Å; L542-V546 HydrophobicContact CB-CG2 4.05Å; L542-V546 HydrophobicContact CD2-CG2 3.7Å; L542-V546 HydrophobicContact CG-CG2 4.5Å; L542-V546 WeakPolarHBondContact O-CB 3.47Å; L542-V546 WeakPolarHBondContact O-CG2 3.31Å; L542-V546 PolarHBondContact O-N 3.43Å; V546-V550 HydrophobicContact CG1-CB 3.76Å; V546-V550 HydrophobicContact CG1-CG1 3.67Å; V546-I551 HydrophobicContact CB-CD1 4.05Å; V546-I551 HydrophobicContact CG1-CD1 3.55Å; V546-I551 HydrophobicContact CG1-CG1 4.06Å
547	P	97.1	Very high	96	Very high	21 Å²	21	46.9 Å²	46.9	14%	0.136	24%	0.241	C	C	.	.			trans	-75.3	155.4	-176.8	31.7	-36	0	0	0	112	V15 W549 V550 I551	V15-P547 HydrophobicContact CB-CB 3.99Å; V15-P547 HydrophobicContact CB-CG 3.98Å; V15-P547 HydrophobicContact CG1-CB 4.43Å; V15-P547 HydrophobicContact CG1-CG 4.01Å; P547-W549 VanDerWaalsContact C-N 3.28Å; P547-W549 HydrophobicContact CG-CG 4.44Å; P547-W549 HydrophobicContact CG-CZ2 4.48Å; P547-W549 PolarHBondContact O-N 3.33Å; P547-V550 HydrophobicContact CG-CB 4.38Å; P547-V550 HydrophobicContact CG-CG2 3.81Å; P547-V550 WeakPolarHBondContact O-CB 3.4Å; P547-V550 PolarHBondContact O-N 2.88Å; P547-I551 PolarHBondContact O-N 2.75Å
548	Q	96.5	Very high	96	Very high	117 Å²	117	48.2 Å²	48.2	55%	0.547	25%	0.245	S	C	.	.	H	α-helix	trans	-54.1	-40.9	-175.1	-171.4	60.8	43.2	0	0	113.6	V550 I551 D552	Q548-V550 PolarHBondContact O-N 3.26Å; Q548-V550 VanDerWaalsContact O-N 3.1Å; Q548-I551 WeakPolarHBondContact O-CA 3.43Å; Q548-I551 WeakPolarHBondContact O-CB 3.24Å; Q548-I551 PolarHBondContact O-N 3.49Å; Q548-D552 PolarHBondContact NE2-OD1 2.82Å; Q548-D552 PolarHBondContact O-N 3.37Å
549	W	96.8	Very high	95.7	Very high	18 Å²	18	48.2 Å²	48.2	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-22.7	-179.9	72.1	-98.1	0	0	0	113.8	V15 V17 L433 E435 C438 F439 L467 P547	V15-W549 PolarHBondContact O-NE1 2.89Å; V15-W549 VanDerWaalsContact O-NE1 3.14Å; V17-W549 HydrophobicContact CG2-CH2 4.23Å; V17-W549 HydrophobicContact CG2-CZ2 4.02Å; L433-W549 HydrophobicContact CB-CH2 4.31Å; E435-W549 HydrophobicContact CB-CD2 4.02Å; E435-W549 HydrophobicContact CB-CG 4.02Å; E435-W549 HydrophobicContact CG-CB 3.97Å; E435-W549 HydrophobicContact CG-CD2 4.24Å; E435-W549 HydrophobicContact CG-CG 3.82Å; C438-W549 HydrophobicContact CB-CH2 4.3Å; C438-W549 HydrophobicContact CB-CZ3 3.92Å; F439-W549 HydrophobicContact CE1-CZ3 4.45Å; F439-W549 AromaticContact CE2-CE3 3.57Å; F439-W549 HydrophobicContact CE2-CE3 3.57Å; F439-W549 AromaticContact CE2-CZ3 3.99Å; F439-W549 HydrophobicContact CE2-CZ3 3.99Å; F439-W549 AromaticContact CZ-CE3 3.49Å; F439-W549 HydrophobicContact CZ-CE3 3.49Å; F439-W549 VanDerWaalsContact CZ-CE3 3.49Å; F439-W549 AromaticContact CZ-CZ3 3.62Å; F439-W549 HydrophobicContact CZ-CZ3 3.62Å; L467-W549 HydrophobicContact CD1-CE3 4.41Å; L467-W549 HydrophobicContact CD1-CH2 4.35Å; L467-W549 HydrophobicContact CD1-CZ3 3.71Å; P547-W549 VanDerWaalsContact C-N 3.28Å; P547-W549 HydrophobicContact CG-CG 4.44Å; P547-W549 HydrophobicContact CG-CZ2 4.48Å; P547-W549 PolarHBondContact O-N 3.33Å
550	V	97.9	Very high	95.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-84.6	-40.6	172	176.9	0	0	0	0	110.5	V17 L467 L471 V546 P547 Q548 D552 I553 T554	V17-V550 HydrophobicContact CG2-CG2 3.74Å; L467-V550 HydrophobicContact CD1-CG1 4.4Å; L467-V550 HydrophobicContact CD1-CG2 4.29Å; L467-V550 HydrophobicContact CD2-CG1 4.22Å; L467-V550 HydrophobicContact CD2-CG2 4.23Å; L471-V550 HydrophobicContact CD1-CG1 3.84Å; V546-V550 HydrophobicContact CG1-CB 3.76Å; V546-V550 HydrophobicContact CG1-CG1 3.67Å; P547-V550 HydrophobicContact CG-CB 4.38Å; P547-V550 HydrophobicContact CG-CG2 3.81Å; P547-V550 WeakPolarHBondContact O-CB 3.4Å; P547-V550 PolarHBondContact O-N 2.88Å; Q548-V550 PolarHBondContact O-N 3.26Å; Q548-V550 VanDerWaalsContact O-N 3.1Å; V550-D552 VanDerWaalsContact C-N 3.3Å; V550-D552 PolarHBondContact O-N 3.37Å; V550-I553 PolarHBondContact O-N 2.92Å; V550-T554 HydrophobicContact CG1-CG2 3.94Å; V550-T554 WeakPolarHBondContact O-CB 3.22Å; V550-T554 WeakPolarHBondContact O-CG2 3.44Å; V550-T554 PolarHBondContact O-N 2.8Å; V550-T554 PolarHBondContact O-OG1 2.82Å
551	I	97.5	Very high	94.8	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-45.3	175.6	-59.3	-61.2	0	0	0	110.8	W474 V546 P547 Q548 I553 T554 V555 D556	W474-I551 HydrophobicContact CH2-CD1 3.5Å; W474-I551 VanDerWaalsContact CH2-CD1 3.5Å; W474-I551 HydrophobicContact CZ3-CD1 3.7Å; V546-I551 HydrophobicContact CB-CD1 4.05Å; V546-I551 HydrophobicContact CG1-CD1 3.55Å; V546-I551 HydrophobicContact CG1-CG1 4.06Å; P547-I551 PolarHBondContact O-N 2.75Å; Q548-I551 WeakPolarHBondContact O-CA 3.43Å; Q548-I551 WeakPolarHBondContact O-CB 3.24Å; Q548-I551 PolarHBondContact O-N 3.49Å; I551-I553 PolarHBondContact O-N 3.06Å; I551-T554 PolarHBondContact O-N 2.93Å; I551-V555 HydrophobicContact CD1-CG2 4.13Å; I551-V555 HydrophobicContact CG2-CB 3.93Å; I551-V555 HydrophobicContact CG2-CG2 4.16Å; I551-V555 WeakPolarHBondContact O-CB 3.37Å; I551-V555 PolarHBondContact O-N 2.82Å; I551-D556 PolarHBondContact O-N 2.91Å
552	D	96.7	Very high	94.1	Very high	56 Å²	56	55.8 Å²	55.8	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-52.3	-35.6	-179.6	-63.9	-19.5	0	0	0	111.8	Q548 V550 D556 K557 N558	Q548-D552 PolarHBondContact NE2-OD1 2.82Å; Q548-D552 PolarHBondContact O-N 3.37Å; V550-D552 VanDerWaalsContact C-N 3.3Å; V550-D552 PolarHBondContact O-N 3.37Å; D552-D556 CarbonylContact O-C 3.53Å; D552-K557 PolarHBondContact O-N 3.35Å; D552-N558 WeakPolarHBondContact O-CA 3.28Å; D552-N558 WeakPolarHBondContact O-CB 3.37Å; D552-N558 PolarHBondContact O-N 2.87Å
553	I	95.9	Very high	93.2	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-96.1	-35.8	-176.6	-50.5	-53.5	0	0	0	113.1	F439 Q468 V550 I551 N558 M559	F439-I553 HydrophobicContact CD1-CG1 4.49Å; F439-I553 HydrophobicContact CE1-CB 4.46Å; F439-I553 HydrophobicContact CE1-CD1 4.4Å; F439-I553 HydrophobicContact CE1-CG1 3.64Å; F439-I553 HydrophobicContact CE1-CG2 4.45Å; F439-I553 HydrophobicContact CE2-CG1 4.12Å; F439-I553 HydrophobicContact CZ-CB 4.46Å; F439-I553 HydrophobicContact CZ-CD1 4.26Å; F439-I553 HydrophobicContact CZ-CG1 3.41Å; F439-I553 VanDerWaalsContact CZ-CG1 3.41Å; Q468-I553 PolarHBondContact NE2-O 3.23Å; Q468-I553 VanDerWaalsContact NE2-O 3.08Å; V550-I553 PolarHBondContact O-N 2.92Å; I551-I553 PolarHBondContact O-N 3.06Å; I553-N558 WeakPolarHBondContact CD1-O 3.46Å; I553-M559 HydrophobicContact CG2-CE 3.8Å; I553-M559 HydrophobicContact CG2-SD 3.98Å
554	T	96.4	Very high	92.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-90.9	-37.5	-171.1	54.8	0	0	0	0	113	L467 Q468 L471 V550 I551 K557	L467-T554 HydrophobicContact CB-CG2 3.78Å; Q468-T554 HydrophobicContact CG-CG2 4.19Å; L471-T554 HydrophobicContact CD1-CG2 4.29Å; V550-T554 HydrophobicContact CG1-CG2 3.94Å; V550-T554 WeakPolarHBondContact O-CB 3.22Å; V550-T554 WeakPolarHBondContact O-CG2 3.44Å; V550-T554 PolarHBondContact O-N 2.8Å; V550-T554 PolarHBondContact O-OG1 2.82Å; I551-T554 PolarHBondContact O-N 2.93Å; T554-K557 WeakPolarHBondContact O-CE 3.48Å; T554-K557 PolarHBondContact O-NZ 3.01Å
555	V	95.5	Very high	92.5	Very high	32 Å²	32	57.2 Å²	57.2	19%	0.194	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-56.5	179.5	178.3	0	0	0	0	109.4	W474 R476 T477 I551 K557	W474-V555 HydrophobicContact CH2-CG2 4.43Å; W474-V555 HydrophobicContact CZ3-CG2 3.98Å; R476-V555 HydrophobicContact CB-CG2 4.45Å; R476-V555 HydrophobicContact CG-CG1 4.09Å; R476-V555 HydrophobicContact CG-CG2 3.96Å; T477-V555 HydrophobicContact CG2-CG2 4.22Å; I551-V555 HydrophobicContact CD1-CG2 4.13Å; I551-V555 HydrophobicContact CG2-CB 3.93Å; I551-V555 HydrophobicContact CG2-CG2 4.16Å; I551-V555 WeakPolarHBondContact O-CB 3.37Å; I551-V555 PolarHBondContact O-N 2.82Å; V555-K557 PolarHBondContact O-N 2.88Å
556	D	94.7	Very high	92.3	Very high	73 Å²	73	57.6 Å²	57.6	39%	0.39	28%	0.284	S	S	.	.	S	Bend	trans	-80.8	-7.2	-172.8	-51.9	-27.4	0	0	0	113	I551 D552 N558	I551-D556 PolarHBondContact O-N 2.91Å; D552-D556 CarbonylContact O-C 3.53Å; D556-N558 WeakPolarHBondContact CB-ND2 3.45Å; D556-N558 PolarHBondContact O-N 3.25Å
557	K	92.7	Very high	92.1	Very high	77 Å²	77	57.4 Å²	57.4	34%	0.335	28%	0.282	S	S	.	.			trans	52.7	25.1	179.5	-48.9	-58.7	-174.8	-174.5	0	114.5	T477 D552 T554 V555 M559	T477-K557 PolarHBondContact O-NZ 3.49Å; D552-K557 PolarHBondContact O-N 3.35Å; T554-K557 WeakPolarHBondContact O-CE 3.48Å; T554-K557 PolarHBondContact O-NZ 3.01Å; V555-K557 PolarHBondContact O-N 2.88Å; K557-M559 PolarHBondContact O-N 3Å
558	N	92.4	Very high	91.9	Very high	109 Å²	109	59.3 Å²	59.3	58%	0.583	29%	0.287	S	S	*	.			trans	-83.3	71.6	-178.5	-71	-43	0	0	0	112.2	D552 I553 D556	D552-N558 WeakPolarHBondContact O-CA 3.28Å; D552-N558 WeakPolarHBondContact O-CB 3.37Å; D552-N558 PolarHBondContact O-N 2.87Å; I553-N558 WeakPolarHBondContact CD1-O 3.46Å; D556-N558 WeakPolarHBondContact CB-ND2 3.45Å; D556-N558 PolarHBondContact O-N 3.25Å
559	M	89.4	Confident	91.5	Very high	66 Å²	66	54.5 Å²	54.5	33%	0.325	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-60.5	136.2	178.4	-158	64.3	66.7	0	0	111.6	W442 N461 I553 K557	W442-M559 HydrophobicContact CH2-CG 3.5Å; W442-M559 VanDerWaalsContact CH2-CG 3.5Å; W442-M559 HydrophobicContact CZ2-CG 4.08Å; W442-M559 HydrophobicContact CZ3-CG 4.37Å; N461-M559 HydrophobicContact CB-CG 4.27Å; N461-M559 HydrophobicContact CB-SD 3.63Å; I553-M559 HydrophobicContact CG2-CE 3.8Å; I553-M559 HydrophobicContact CG2-SD 3.98Å; K557-M559 PolarHBondContact O-N 3Å
560	P	88.8	Confident	91.1	Very high	47 Å²	47	55.4 Å²	55.4	31%	0.305	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-63.8	164.3	-177.5	20	-29	0	0	0	113.1	F439 W442	F439-P560 HydrophobicContact CB-CG 3.7Å; F439-P560 HydrophobicContact CG-CG 4.06Å; W442-P560 WeakPolarHBondContact CH2-O 3.27Å; W442-P560 HydrophobicContact CZ2-CG 4.19Å; W442-P560 WeakPolarHBondContact CZ2-O 3.48Å
561	K	84.1	Confident	90.6	Very high	191 Å²	191	56.3 Å²	56.3	83%	0.83	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-76.7	152.3	176.6	-64.4	-176.6	-178.6	179.7	0	111.4
562	F	80.3	Confident	90.1	Very high	97 Å²	97	57.3 Å²	57.3	43%	0.425	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-60.9	144.6	176.5	-53.1	-69.1	0	0	0	113	W442 K459	W442-F562 AromaticContact CD2-CD1 3.79Å; W442-F562 HydrophobicContact CD2-CD1 3.79Å; W442-F562 HydrophobicContact CD2-CE1 4.01Å; W442-F562 AromaticContact CE3-CD1 3.76Å; W442-F562 HydrophobicContact CE3-CD1 3.76Å; W442-F562 AromaticContact CE3-CE1 3.46Å; W442-F562 HydrophobicContact CE3-CE1 3.46Å; W442-F562 VanDerWaalsContact CE3-CE1 3.46Å; W442-F562 HydrophobicContact CG-CD1 4.34Å; W442-F562 HydrophobicContact CH2-CD1 4.28Å; W442-F562 AromaticContact CH2-CE1 3.92Å; W442-F562 HydrophobicContact CH2-CE1 3.92Å; W442-F562 HydrophobicContact CZ2-CD1 4.38Å; W442-F562 HydrophobicContact CZ2-CE1 4.46Å; W442-F562 AromaticContact CZ3-CD1 4Å; W442-F562 HydrophobicContact CZ3-CD1 4Å; W442-F562 AromaticContact CZ3-CE1 3.4Å; W442-F562 HydrophobicContact CZ3-CE1 3.4Å; W442-F562 HydrophobicContact CZ3-CZ 4.25Å; K459-F562 HydrophobicContact CB-CD1 4.31Å; K459-F562 HydrophobicContact CB-CE1 3.43Å; K459-F562 VanDerWaalsContact CB-CE1 3.43Å; K459-F562 HydrophobicContact CB-CZ 4Å; K459-F562 HydrophobicContact CD-CD1 3.95Å; K459-F562 HydrophobicContact CD-CE1 3.65Å; K459-F562 HydrophobicContact CD-CZ 4.08Å; K459-F562 HydrophobicContact CG-CE1 4.18Å
563	N	79.3	Confident	89.4	Confident	76 Å²	76	59.5 Å²	59.5	41%	0.406	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-68.9	139.3	168	-68.8	-33.8	0	0	0	110.4	S588 D589	N563-S588 WeakPolarHBondContact O-CA 3.34Å; N563-D589 PolarHBondContact O-N 3.03Å
564	K	88	Confident	88.6	Confident	158 Å²	158	62.9 Å²	62.9	69%	0.687	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.4	173.3	-67.7	-171.3	179.3	-174.3	0	110.6	A587	K564-A587 CarbonylContact C-O 3.54Å; K564-A587 WeakPolarHBondContact CA-O 3.31Å; K564-A587 WeakPolarHBondContact CB-O 3.32Å
565	I	89.3	Confident	87.3	Confident	11 Å²	11	64.9 Å²	64.9	6%	0.056	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.5	175.5	-170.4	165.6	0	0	0	109.6	S586 A587 D589 L654 K658	I565-S586 WeakPolarHBondContact O-CA 3.43Å; I565-A587 PolarHBondContact N-O 2.81Å; I565-A587 PolarHBondContact O-N 3.45Å; I565-D589 HydrophobicContact CB-CB 4.07Å; I565-D589 HydrophobicContact CG2-CB 4.14Å; I565-L654 HydrophobicContact CG2-CB 3.94Å; I565-L654 HydrophobicContact CG2-CD1 3.71Å; I565-K658 HydrophobicContact CD1-CB 3.99Å; I565-K658 HydrophobicContact CD1-CD 3.43Å; I565-K658 VanDerWaalsContact CD1-CD 3.43Å; I565-K658 HydrophobicContact CD1-CG 4.31Å; I565-K658 HydrophobicContact CG1-CD 4.32Å
566	P	92	Very high	85.8	Confident	34 Å²	34	67 Å²	67	22%	0.221	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.7	166.5	31.3	-33.6	0	0	0	110.6	L585 D667	P566-L585 CarbonylContact C-O 3.59Å; P566-L585 WeakPolarHBondContact CA-O 3.48Å; P566-D667 VanDerWaalsContact CG-OD1 3.25Å; P566-D667 WeakPolarHBondContact CG-OD1 3.38Å
567	F	93.4	Very high	84.3	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.5	175.7	67.5	-80.6	0	0	0	112.1	L569 L585 A587 V596 L654 L668 L670	F567-L569 HydrophobicContact CD2-CG 4.32Å; F567-L569 HydrophobicContact CE2-CD1 4.19Å; F567-L569 HydrophobicContact CE2-CD2 4.44Å; F567-L569 HydrophobicContact CE2-CG 3.99Å; F567-L585 HydrophobicContact CD1-CB 4.31Å; F567-L585 HydrophobicContact CD2-CB 4.41Å; F567-L585 HydrophobicContact CE1-CB 3.85Å; F567-L585 HydrophobicContact CE2-CB 3.98Å; F567-L585 HydrophobicContact CE2-CD1 3.87Å; F567-L585 HydrophobicContact CZ-CB 3.67Å; F567-L585 HydrophobicContact CZ-CD1 3.99Å; F567-L585 PolarHBondContact N-O 3.24Å; F567-L585 PolarHBondContact O-N 2.92Å; F567-A587 HydrophobicContact CE1-CB 3.79Å; F567-A587 HydrophobicContact CZ-CB 4.49Å; F567-V596 HydrophobicContact CE2-CG1 4.36Å; F567-L654 HydrophobicContact CD1-CD1 3.72Å; F567-L654 HydrophobicContact CE1-CD1 3.71Å; F567-L654 HydrophobicContact CG-CD1 4.26Å; F567-L654 HydrophobicContact CZ-CD1 4.23Å; F567-L668 CarbonylContact C-O 3.58Å; F567-L668 WeakPolarHBondContact CA-O 3.37Å; F567-L668 HydrophobicContact CB-CB 3.88Å; F567-L668 HydrophobicContact CB-CD2 4.25Å; F567-L668 HydrophobicContact CB-CG 4.21Å; F567-L668 WeakPolarHBondContact CB-O 3.05Å; F567-L670 HydrophobicContact CD2-CD1 4.17Å
568	Y	91.9	Very high	82.6	Confident	62 Å²	62	70.9 Å²	70.9	24%	0.243	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.2	176	-68.5	-84.7	0	0	0	110.5	K582 R584 D667 L668 L670	Y568-K582 HydrophobicContact CD1-CB 4.3Å; Y568-K582 HydrophobicContact CE1-CB 4.49Å; Y568-R584 HydrophobicContact CD1-CB 4.09Å; Y568-R584 HydrophobicContact CD1-CG 4.48Å; Y568-R584 HydrophobicContact CE1-CB 3.51Å; Y568-R584 HydrophobicContact CE1-CG 3.87Å; Y568-R584 HydrophobicContact CE2-CG 4.21Å; Y568-R584 WeakPolarHBondContact OH-CD 3.46Å; Y568-D667 HydrophobicContact CD2-CB 4.07Å; Y568-D667 HydrophobicContact CE2-CB 3.76Å; Y568-L668 PolarHBondContact N-O 2.65Å; Y568-L670 PolarHBondContact O-N 3.15Å
569	L	89.5	Confident	80.7	Confident	15 Å²	15	72 Å²	72	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.2	167.3	-73.6	171.6	0	0	0	109.9	F567 L585 V596 V600 L641 L670 Y672	F567-L569 HydrophobicContact CD2-CG 4.32Å; F567-L569 HydrophobicContact CE2-CD1 4.19Å; F567-L569 HydrophobicContact CE2-CD2 4.44Å; F567-L569 HydrophobicContact CE2-CG 3.99Å; L569-L585 HydrophobicContact CD1-CD1 3.53Å; L569-L585 HydrophobicContact CG-CD1 4.15Å; L569-V596 HydrophobicContact CD1-CG1 4.15Å; L569-V596 HydrophobicContact CD2-CG1 3.73Å; L569-V596 HydrophobicContact CG-CG1 4.47Å; L569-V600 HydrophobicContact CD1-CG2 4.07Å; L569-V600 HydrophobicContact CD2-CG2 4.23Å; L569-L641 HydrophobicContact CD2-CD2 4.08Å; L569-L670 WeakPolarHBondContact CA-O 3.42Å; L569-L670 HydrophobicContact CD2-CB 3.84Å; L569-L670 HydrophobicContact CD2-CD1 4.35Å; L569-Y672 HydrophobicContact CB-CD1 4.47Å; L569-Y672 HydrophobicContact CB-CE1 4.49Å
570	Q	88	Confident	79.2	Confident	38 Å²	38	73.9 Å²	73.9	18%	0.178	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.5	179.9	-64.2	178.3	20.4	0	0	110.4	H572 L670 H671 Y672	Q570-H572 PolarHBondContact O-N 2.96Å; Q570-L670 PolarHBondContact N-O 3.5Å; Q570-H671 CarbonylContact O-C 3.59Å; Q570-H671 WeakPolarHBondContact O-CA 3.42Å; Q570-Y672 WeakPolarHBondContact O-CD1 3.17Å; Q570-Y672 WeakPolarHBondContact O-CE1 3.21Å; Q570-Y672 PolarHBondContact O-N 3Å
571	P	87	Confident	77.8	Confident	19 Å²	19	80.1 Å²	80.1	12%	0.123	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.7	170.6	25.8	-30.9	0	0	0	109.5	A577 Y672	P571-A577 HydrophobicContact CB-CB 3.97Å; P571-Y672 HydrophobicContact CB-CE1 4.49Å; P571-Y672 HydrophobicContact CB-CE2 4.01Å
572	H	86	Confident	76.9	Confident	29 Å²	29	78 Å²	78	13%	0.134	43%	0.428	C	S	.	.			trans	-64.2	149	171.7	-171.4	-98.8	0	0	0	109.7	Q570 S574 S575 D645 H671 Y672 R673	Q570-H572 PolarHBondContact O-N 2.96Å; H572-S574 WeakPolarHBondContact ND1-CB 3.33Å; H572-S574 PolarHBondContact ND1-N 2.96Å; H572-S574 PolarHBondContact ND1-OG 2.81Å; H572-S574 PolarHBondContact O-N 2.9Å; H572-S575 WeakPolarHBondContact O-CB 3.49Å; H572-S575 PolarHBondContact O-N 2.9Å; H572-D645 IonicContact NE2-OD1 3.65Å; H572-H671 HydrophobicContact CB-CB 4.15Å; H572-Y672 WeakPolarHBondContact CB-O 3.31Å; H572-Y672 PolarHBondContact N-O 3.14Å; H572-R673 HydrophobicContact CB-CB 3.97Å
573	A	81.9	Confident	76.5	Confident	103 Å²	103	77.7 Å²	77.7	85%	0.851	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-56.3	-28.1	-177.9	0	0	0	0	0	113.5	S575	A573-S575 VanDerWaalsContact C-N 3.33Å
574	S	79.8	Confident	76.9	Confident	76 Å²	76	81.4 Å²	81.4	53%	0.531	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-78.8	-9	176.4	71.7	0	0	0	0	114.9	H572 G576	H572-S574 WeakPolarHBondContact ND1-CB 3.33Å; H572-S574 PolarHBondContact ND1-N 2.96Å; H572-S574 PolarHBondContact ND1-OG 2.81Å; H572-S574 PolarHBondContact O-N 2.9Å; S574-G576 VanDerWaalsContact C-N 3.28Å; S574-G576 PolarHBondContact O-N 2.8Å
575	S	69.3	Low	77.1	Confident	42 Å²	42	76.2 Å²	76.2	29%	0.294	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-75	-17.1	-174.2	-164.6	0	0	0	0	112.7	H572 A573 A577	H572-S575 WeakPolarHBondContact O-CB 3.49Å; H572-S575 PolarHBondContact O-N 2.9Å; A573-S575 VanDerWaalsContact C-N 3.33Å; S575-A577 PolarHBondContact O-N 3.35Å
576	G	64.3	Low	77.1	Confident	77 Å²	77	79.3 Å²	79.3	79%	0.794	44%	0.442	S	S	*	.			trans	66.8	-9.2	-175.6	0	0	0	0	0	114.9	S574	S574-G576 VanDerWaalsContact C-N 3.28Å; S574-G576 PolarHBondContact O-N 2.8Å
577	A	62.5	Low	77.1	Confident	41 Å²	41	78.7 Å²	78.7	34%	0.339	44%	0.439	S	S	.	.			trans	-66.5	131.9	178.6	0	0	0	0	0	111.6	P571 S575 T579	P571-A577 HydrophobicContact CB-CB 3.97Å; S575-A577 PolarHBondContact O-N 3.35Å; A577-T579 PolarHBondContact O-N 3.45Å
578	K	56.6	Low	76.9	Confident	191 Å²	191	79.4 Å²	79.4	83%	0.83	45%	0.445	S	S	*	.			trans	-60.3	132.9	172	-71.4	179.6	179.5	174.4	0	108.4	L580	K578-L580 PolarHBondContact O-N 3.49Å
579	T	54.2	Low	76.7	Confident	131 Å²	131	77.1 Å²	77.1	80%	0.804	44%	0.437	S	S	*	.			trans	-49.5	100.2	177.2	33.9	0	0	0	0	111	A577	A577-T579 PolarHBondContact O-N 3.45Å
580	L	56.4	Low	76.7	Confident	106 Å²	106	77.2 Å²	77.2	56%	0.555	44%	0.437	S	S	*	.			trans	-63.7	154	161.5	-82.9	115.6	0	0	0	108.7	K578 K582	K578-L580 PolarHBondContact O-N 3.49Å; L580-K582 PolarHBondContact O-N 2.95Å
581	K	60.8	Low	76.8	Confident	179 Å²	179	77.7 Å²	77.7	78%	0.778	44%	0.441	S	S	*	.			trans	-47.8	133.7	179.1	-163.6	176.2	-179.3	-177.9	0	109.3	D583	K581-D583 VanDerWaalsContact C-N 3.3Å; K581-D583 PolarHBondContact O-N 3.22Å
582	K	65.2	Low	77	Confident	145 Å²	145	80.2 Å²	80.2	63%	0.63	45%	0.451	S	S	*	.			trans	-62.2	92.2	175.5	-75.1	-174.5	177.3	-178.1	0	109.1	Y568 L580 R584	Y568-K582 HydrophobicContact CD1-CB 4.3Å; Y568-K582 HydrophobicContact CE1-CB 4.49Å; L580-K582 PolarHBondContact O-N 2.95Å; K582-R584 PolarHBondContact O-N 2.86Å
583	D	71.6	Confident	77.3	Confident	91 Å²	91	78.8 Å²	78.8	49%	0.487	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.2	177.2	-73.6	-18.7	0	0	0	109.1	K581 L585	K581-D583 VanDerWaalsContact C-N 3.3Å; K581-D583 PolarHBondContact O-N 3.22Å; D583-L585 PolarHBondContact O-N 3.29Å
584	R	88	Confident	77.8	Confident	154 Å²	154	76.7 Å²	76.7	58%	0.581	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	103.5	171.4	-168.7	-176	-172.3	-159.8	-0.4	107.7	Y568 K582 D667	Y568-R584 HydrophobicContact CD1-CB 4.09Å; Y568-R584 HydrophobicContact CD1-CG 4.48Å; Y568-R584 HydrophobicContact CE1-CB 3.51Å; Y568-R584 HydrophobicContact CE1-CG 3.87Å; Y568-R584 HydrophobicContact CE2-CG 4.21Å; Y568-R584 WeakPolarHBondContact OH-CD 3.46Å; K582-R584 PolarHBondContact O-N 2.86Å; R584-D667 IonicContact CZ-OD2 2.93Å; R584-D667 IonicContact NE-OD2 3.87Å; R584-D667 PolarHBondContact NE-OD2 2.81Å; R584-D667 IonicContact NH2-OD1 3.4Å; R584-D667 IonicContact NH2-OD2 2.78Å; R584-D667 PolarHBondContact NH2-OD2 3.36Å
585	L	90.9	Very high	78.4	Confident	50 Å²	50	77.3 Å²	77.3	26%	0.262	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	159.3	177.7	-61.1	176.3	0	0	0	110.5	P566 F567 L569 D583	P566-L585 CarbonylContact C-O 3.59Å; P566-L585 WeakPolarHBondContact CA-O 3.48Å; F567-L585 HydrophobicContact CD1-CB 4.31Å; F567-L585 HydrophobicContact CD2-CB 4.41Å; F567-L585 HydrophobicContact CE1-CB 3.85Å; F567-L585 HydrophobicContact CE2-CB 3.98Å; F567-L585 HydrophobicContact CE2-CD1 3.87Å; F567-L585 HydrophobicContact CZ-CB 3.67Å; F567-L585 HydrophobicContact CZ-CD1 3.99Å; F567-L585 PolarHBondContact N-O 3.24Å; F567-L585 PolarHBondContact O-N 2.92Å; L569-L585 HydrophobicContact CD1-CD1 3.53Å; L569-L585 HydrophobicContact CG-CD1 4.15Å; D583-L585 PolarHBondContact O-N 3.29Å
586	S	90.6	Very high	79.5	Confident	76 Å²	76	75.4 Å²	75.4	53%	0.531	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	124.3	172.6	-176.2	0	0	0	0	109.6	I565	I565-S586 WeakPolarHBondContact O-CA 3.43Å
587	A	91.1	Very high	80.7	Confident	21 Å²	21	71.9 Å²	71.9	17%	0.174	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	174.5	178.6	0	0	0	0	0	110.3	K564 I565 F567 D589 L591	K564-A587 CarbonylContact C-O 3.54Å; K564-A587 WeakPolarHBondContact CA-O 3.31Å; K564-A587 WeakPolarHBondContact CB-O 3.32Å; I565-A587 PolarHBondContact N-O 2.81Å; I565-A587 PolarHBondContact O-N 3.45Å; F567-A587 HydrophobicContact CE1-CB 3.79Å; F567-A587 HydrophobicContact CZ-CB 4.49Å; A587-D589 PolarHBondContact O-N 3.32Å; A587-L591 HydrophobicContact CB-CB 4.28Å; A587-L591 HydrophobicContact CB-CD2 3.66Å
588	S	89.7	Confident	82.1	Confident	21 Å²	21	70.9 Å²	70.9	15%	0.147	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	138.1	165.8	177.1	0	0	0	0	109.2	K459 N563 M590 L591	K459-S588 PolarHBondContact NZ-OG 2.79Å; N563-S588 WeakPolarHBondContact O-CA 3.34Å; S588-M590 PolarHBondContact O-N 2.9Å; S588-M590 PolarHBondContact OG-N 3.05Å; S588-L591 VanDerWaalsContact O-CB 3.26Å; S588-L591 WeakPolarHBondContact O-CB 2.97Å; S588-L591 PolarHBondContact O-N 3.06Å
589	D	88.3	Confident	83.6	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.08	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.4	175.3	67.7	-25.2	0	0	0	113.5	N563 I565 A587 L591 L654 R655	N563-D589 PolarHBondContact O-N 3.03Å; I565-D589 HydrophobicContact CB-CB 4.07Å; I565-D589 HydrophobicContact CG2-CB 4.14Å; A587-D589 PolarHBondContact O-N 3.32Å; D589-L591 VanDerWaalsContact C-N 3.32Å; D589-L654 PolarHBondContact O-N 2.88Å; D589-R655 HydrophobicContact CB-CB 4.22Å; D589-R655 PolarHBondContact O-N 3.36Å
590	M	87.6	Confident	85.2	Confident	17 Å²	17	58.3 Å²	58.3	8%	0.084	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.8	171.7	-46.4	-175.1	51.4	0	0	114.6	W442 V443 K459 S588 Q592	W442-M590 HydrophobicContact CB-CG 4.45Å; W442-M590 HydrophobicContact CB-SD 3.37Å; W442-M590 WeakPolarHBondContact CB-SD 3.18Å; V443-M590 VanDerWaalsContact C-CE 3.43Å; K459-M590 HydrophobicContact CB-CE 4.46Å; K459-M590 HydrophobicContact CB-SD 4.3Å; K459-M590 HydrophobicContact CD-CE 4.26Å; K459-M590 HydrophobicContact CD-SD 3.73Å; K459-M590 HydrophobicContact CG-CE 3.92Å; K459-M590 HydrophobicContact CG-SD 3.95Å; S588-M590 PolarHBondContact O-N 2.9Å; S588-M590 PolarHBondContact OG-N 3.05Å; M590-Q592 PolarHBondContact O-N 2.99Å
591	L	90.9	Very high	86.6	Confident	48 Å²	48	54.1 Å²	54.1	25%	0.251	26%	0.257	S	S	.	.			trans	-63.1	123.5	178.4	-174.2	70.3	0	0	0	109	A587 S588 D589 K595 V596 D653 L654	A587-L591 HydrophobicContact CB-CB 4.28Å; A587-L591 HydrophobicContact CB-CD2 3.66Å; S588-L591 VanDerWaalsContact O-CB 3.26Å; S588-L591 WeakPolarHBondContact O-CB 2.97Å; S588-L591 PolarHBondContact O-N 3.06Å; D589-L591 VanDerWaalsContact C-N 3.32Å; L591-K595 HydrophobicContact CD1-CB 3.64Å; L591-K595 HydrophobicContact CD1-CG 4.28Å; L591-K595 HydrophobicContact CG-CB 4.18Å; L591-V596 HydrophobicContact CD2-CG2 3.61Å; L591-V596 HydrophobicContact CG-CG2 4.17Å; L591-D653 WeakPolarHBondContact O-CA 3.37Å; L591-L654 HydrophobicContact CB-CD1 4.06Å; L591-L654 HydrophobicContact CB-CG 4.22Å; L591-L654 HydrophobicContact CD2-CD1 4.25Å; L591-L654 WeakPolarHBondContact O-CG 3.2Å; L591-L654 PolarHBondContact O-N 3.4Å
592	Q	91.2	Very high	87.7	Confident	71 Å²	71	49.9 Å²	49.9	33%	0.332	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-69.4	147.3	176.4	-73.1	177.9	-21.1	0	0	111.1	M590 R594 K595 V596 M652	M590-Q592 PolarHBondContact O-N 2.99Å; Q592-R594 VanDerWaalsContact C-N 3.25Å; Q592-R594 PolarHBondContact O-N 2.86Å; Q592-K595 PolarHBondContact O-N 2.84Å; Q592-K595 VanDerWaalsContact O-N 3.08Å; Q592-V596 PolarHBondContact O-N 3.5Å; Q592-M652 CarbonylContact C-O 3.52Å; Q592-M652 WeakPolarHBondContact CA-O 3.37Å
593	V	92.5	Very high	88.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-40.2	176.7	169	0	0	0	0	110.4	K595 V596 M597 L641 L648 P650 M652 V657	V593-K595 VanDerWaalsContact C-N 3.3Å; V593-K595 PolarHBondContact O-N 2.86Å; V593-V596 CarbonylContact O-C 3.55Å; V593-V596 WeakPolarHBondContact O-CA 3.43Å; V593-V596 WeakPolarHBondContact O-CB 3.37Å; V593-V596 PolarHBondContact O-N 3.48Å; V593-M597 HydrophobicContact CG1-CG 4.33Å; V593-M597 HydrophobicContact CG1-SD 4.17Å; V593-M597 WeakPolarHBondContact O-CG 3.43Å; V593-M597 PolarHBondContact O-N 3.34Å; V593-L641 HydrophobicContact CG1-CB 4.1Å; V593-L641 HydrophobicContact CG1-CD1 3.74Å; V593-L648 HydrophobicContact CG1-CB 3.88Å; V593-L648 HydrophobicContact CG1-CD1 4.4Å; V593-L648 HydrophobicContact CG2-CB 4.28Å; V593-L648 HydrophobicContact CG2-CD1 4.11Å; V593-P650 PolarHBondContact N-O 3.1Å; V593-M652 HydrophobicContact CG2-CB 4.21Å; V593-M652 VanDerWaalsContact CG2-O 3.31Å; V593-M652 WeakPolarHBondContact CG2-O 3.38Å; V593-M652 PolarHBondContact N-O 3.18Å; V593-V657 HydrophobicContact CG2-CG2 3.83Å
594	R	92.3	Very high	88.2	Confident	58 Å²	58	46.2 Å²	46.2	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-47.4	-49.4	172	174.7	-170.5	-71.3	-86	-2.4	112.6	Q592 V596 M597 E598 A632 E636 P650	Q592-R594 VanDerWaalsContact C-N 3.25Å; Q592-R594 PolarHBondContact O-N 2.86Å; R594-V596 PolarHBondContact O-N 3.49Å; R594-M597 CarbonylContact O-C 3.57Å; R594-M597 WeakPolarHBondContact O-CA 3.24Å; R594-M597 VanDerWaalsContact O-CB 3.31Å; R594-M597 WeakPolarHBondContact O-CB 3.41Å; R594-M597 PolarHBondContact O-N 3.08Å; R594-E598 WeakPolarHBondContact CG-OE1 3.47Å; R594-E598 WeakPolarHBondContact O-CG 3.42Å; R594-E598 PolarHBondContact O-N 3.4Å; R594-A632 PolarHBondContact NH1-O 2.8Å; R594-E636 WeakPolarHBondContact CB-OE1 3.28Å; R594-E636 HydrophobicContact CG-CG 4.32Å; R594-E636 WeakPolarHBondContact CG-OE1 3.45Å; R594-E636 IonicContact CZ-OE1 2.83Å; R594-E636 IonicContact CZ-OE2 2.8Å; R594-E636 IonicContact NE-OE1 2.96Å; R594-E636 PolarHBondContact NE-OE1 3.32Å; R594-E636 IonicContact NH1-OE1 3.76Å; R594-E636 PolarHBondContact NH1-OE1 3.47Å; R594-E636 IonicContact NH1-OE2 2.82Å; R594-E636 PolarHBondContact NH1-OE2 3.24Å; R594-E636 VanDerWaalsContact NH1-OE2 3.1Å; R594-E636 IonicContact NH2-OE1 3.39Å; R594-E636 PolarHBondContact NH2-OE1 3.36Å; R594-E636 IonicContact NH2-OE2 2.76Å; R594-E636 PolarHBondContact NH2-OE2 3.41Å; R594-P650 HydrophobicContact CB-CB 4.12Å; R594-P650 PolarHBondContact N-O 3.32Å
595	K	91.8	Very high	87.3	Confident	89 Å²	89	40.1 Å²	40.1	39%	0.387	20%	0.2	S	C	.	.	H	α-helix	trans	-65.9	-27.7	-179.7	-70.6	-76.4	161.2	-156	0	112.3	L591 Q592 V593 E598 H599	L591-K595 HydrophobicContact CD1-CB 3.64Å; L591-K595 HydrophobicContact CD1-CG 4.28Å; L591-K595 HydrophobicContact CG-CB 4.18Å; Q592-K595 PolarHBondContact O-N 2.84Å; Q592-K595 VanDerWaalsContact O-N 3.08Å; V593-K595 VanDerWaalsContact C-N 3.3Å; V593-K595 PolarHBondContact O-N 2.86Å; K595-E598 VanDerWaalsContact CD-OE2 3.29Å; K595-E598 WeakPolarHBondContact CD-OE2 3.28Å; K595-E598 WeakPolarHBondContact CE-OE2 3.48Å; K595-E598 IonicContact NZ-OE1 3.18Å; K595-E598 PolarHBondContact NZ-OE1 3.18Å; K595-E598 IonicContact NZ-OE2 2.75Å; K595-E598 PolarHBondContact NZ-OE2 3.48Å; K595-H599 WeakPolarHBondContact O-CB 3.43Å; K595-H599 PolarHBondContact O-N 3.3Å
596	V	92.1	Very high	86	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-74.5	-35.9	171	-173.3	0	0	0	0	110.8	F567 L569 L591 Q592 V593 R594 H599 V600 L641 L654 L670	F567-V596 HydrophobicContact CE2-CG1 4.36Å; L569-V596 HydrophobicContact CD1-CG1 4.15Å; L569-V596 HydrophobicContact CD2-CG1 3.73Å; L569-V596 HydrophobicContact CG-CG1 4.47Å; L591-V596 HydrophobicContact CD2-CG2 3.61Å; L591-V596 HydrophobicContact CG-CG2 4.17Å; Q592-V596 PolarHBondContact O-N 3.5Å; V593-V596 CarbonylContact O-C 3.55Å; V593-V596 WeakPolarHBondContact O-CA 3.43Å; V593-V596 WeakPolarHBondContact O-CB 3.37Å; V593-V596 PolarHBondContact O-N 3.48Å; R594-V596 PolarHBondContact O-N 3.49Å; V596-H599 WeakPolarHBondContact O-CB 3.24Å; V596-H599 PolarHBondContact O-N 3.01Å; V596-V600 VanDerWaalsContact O-CG2 3.31Å; V596-V600 WeakPolarHBondContact O-CG2 3.39Å; V596-V600 PolarHBondContact O-N 2.77Å; V596-L641 HydrophobicContact CB-CD1 3.63Å; V596-L641 HydrophobicContact CG1-CD1 3.61Å; V596-L641 HydrophobicContact CG1-CD2 4.43Å; V596-L654 HydrophobicContact CG2-CD2 4.18Å; V596-L670 HydrophobicContact CG1-CD1 4.27Å
597	M	91.2	Very high	84.5	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-45.1	174.6	-59.4	169.9	76.7	0	0	111.3	V593 R594 H599 V600 Y601 E636 I639 L641 P650	V593-M597 HydrophobicContact CG1-CG 4.33Å; V593-M597 HydrophobicContact CG1-SD 4.17Å; V593-M597 WeakPolarHBondContact O-CG 3.43Å; V593-M597 PolarHBondContact O-N 3.34Å; R594-M597 CarbonylContact O-C 3.57Å; R594-M597 WeakPolarHBondContact O-CA 3.24Å; R594-M597 VanDerWaalsContact O-CB 3.31Å; R594-M597 WeakPolarHBondContact O-CB 3.41Å; R594-M597 PolarHBondContact O-N 3.08Å; M597-H599 VanDerWaalsContact C-N 3.32Å; M597-H599 PolarHBondContact O-N 3.43Å; M597-V600 PolarHBondContact O-N 3.15Å; M597-Y601 WeakPolarHBondContact O-CB 3.41Å; M597-Y601 PolarHBondContact O-N 2.87Å; M597-E636 HydrophobicContact CE-CB 4.46Å; M597-E636 HydrophobicContact CE-CG 4.23Å; M597-E636 HydrophobicContact SD-CG 4.18Å; M597-I639 HydrophobicContact CB-CB 4.41Å; M597-I639 HydrophobicContact CB-CG2 4.4Å; M597-I639 HydrophobicContact CE-CB 4.17Å; M597-I639 WeakPolarHBondContact CE-O 3.15Å; M597-I639 HydrophobicContact CG-CG2 4.47Å; M597-L641 HydrophobicContact CB-CD1 4.43Å; M597-L641 HydrophobicContact CG-CB 4.5Å; M597-L641 HydrophobicContact CG-CD1 3.46Å; M597-L641 VanDerWaalsContact CG-CD1 3.46Å; M597-L641 HydrophobicContact CG-CG 3.84Å; M597-P650 HydrophobicContact SD-CB 3.95Å; M597-P650 HydrophobicContact SD-CG 3.92Å
598	E	90.5	Very high	82.6	Confident	19 Å²	19	46.3 Å²	46.3	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-54.1	-49.1	171.9	-71.5	169.3	-149.9	0	0	110.5	R594 K595 V600 Y601 E602 A632 A635	R594-E598 WeakPolarHBondContact CG-OE1 3.47Å; R594-E598 WeakPolarHBondContact O-CG 3.42Å; R594-E598 PolarHBondContact O-N 3.4Å; K595-E598 VanDerWaalsContact CD-OE2 3.29Å; K595-E598 WeakPolarHBondContact CD-OE2 3.28Å; K595-E598 WeakPolarHBondContact CE-OE2 3.48Å; K595-E598 IonicContact NZ-OE1 3.18Å; K595-E598 PolarHBondContact NZ-OE1 3.18Å; K595-E598 IonicContact NZ-OE2 2.75Å; K595-E598 PolarHBondContact NZ-OE2 3.48Å; E598-V600 VanDerWaalsContact C-N 3.34Å; E598-V600 PolarHBondContact O-N 3.13Å; E598-Y601 PolarHBondContact O-N 3.28Å; E598-E602 WeakPolarHBondContact O-CB 3.21Å; E598-E602 WeakPolarHBondContact O-CG 3.18Å; E598-E602 PolarHBondContact O-N 2.85Å; E598-A632 HydrophobicContact CG-CB 4.27Å; E598-A632 WeakPolarHBondContact OE1-CB 3.22Å; E598-A635 HydrophobicContact CB-CB 4.48Å; E598-A635 HydrophobicContact CG-CB 4.08Å
599	H	88.3	Confident	80.8	Confident	59 Å²	59	51 Å²	51	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-41.9	177.2	-176.4	85	0	0	0	113.3	K595 V596 M597 K603	K595-H599 WeakPolarHBondContact O-CB 3.43Å; K595-H599 PolarHBondContact O-N 3.3Å; V596-H599 WeakPolarHBondContact O-CB 3.24Å; V596-H599 PolarHBondContact O-N 3.01Å; M597-H599 VanDerWaalsContact C-N 3.32Å; M597-H599 PolarHBondContact O-N 3.43Å; H599-K603 VanDerWaalsContact CE1-CD 3.43Å; H599-K603 WeakPolarHBondContact CE1-CD 3.34Å; H599-K603 VanDerWaalsContact CE1-CE 3.5Å; H599-K603 WeakPolarHBondContact CE1-CE 3.47Å; H599-K603 VanDerWaalsContact O-CB 3.3Å; H599-K603 WeakPolarHBondContact O-CB 3.49Å; H599-K603 PolarHBondContact O-N 3.39Å
600	V	87.4	Confident	79	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-44.5	176.4	170.3	0	0	0	0	110.6	L569 V596 M597 E598 I604 I605 I639 L641 Y672	L569-V600 HydrophobicContact CD1-CG2 4.07Å; L569-V600 HydrophobicContact CD2-CG2 4.23Å; V596-V600 VanDerWaalsContact O-CG2 3.31Å; V596-V600 WeakPolarHBondContact O-CG2 3.39Å; V596-V600 PolarHBondContact O-N 2.77Å; M597-V600 PolarHBondContact O-N 3.15Å; E598-V600 VanDerWaalsContact C-N 3.34Å; E598-V600 PolarHBondContact O-N 3.13Å; V600-I604 HydrophobicContact CB-CD1 4.45Å; V600-I604 HydrophobicContact CG1-CB 4.32Å; V600-I604 HydrophobicContact CG1-CD1 4.33Å; V600-I604 HydrophobicContact CG2-CD1 4.14Å; V600-I604 WeakPolarHBondContact O-CA 3.24Å; V600-I604 VanDerWaalsContact O-CB 3.25Å; V600-I604 WeakPolarHBondContact O-CB 3.39Å; V600-I604 PolarHBondContact O-N 3.45Å; V600-I605 HydrophobicContact CG1-CG1 4.45Å; V600-I605 PolarHBondContact O-N 3.12Å; V600-I605 VanDerWaalsContact O-N 3.14Å; V600-I639 HydrophobicContact CB-CG2 4.49Å; V600-I639 HydrophobicContact CG1-CD1 4.28Å; V600-I639 HydrophobicContact CG1-CG2 4.12Å; V600-L641 HydrophobicContact CG2-CD2 4.4Å; V600-Y672 HydrophobicContact CG1-CD1 4.27Å; V600-Y672 HydrophobicContact CG1-CD2 3.69Å; V600-Y672 HydrophobicContact CG1-CE2 4.4Å; V600-Y672 HydrophobicContact CG1-CG 3.64Å; V600-Y672 HydrophobicContact CG2-CD1 4.24Å; V600-Y672 HydrophobicContact CG2-CG 4.26Å
601	Y	86.4	Confident	76.9	Confident	18 Å²	18	61.4 Å²	61.4	7%	0.071	31%	0.306	C	S	.	.	I	π-helix	trans	-61.2	-49.7	-179.9	-178.2	-113	0	0	0	111.5	M597 E598 N606 I631 L634 A635 K638 I639	M597-Y601 WeakPolarHBondContact O-CB 3.41Å; M597-Y601 PolarHBondContact O-N 2.87Å; E598-Y601 PolarHBondContact O-N 3.28Å; Y601-N606 WeakPolarHBondContact O-CB 3.35Å; Y601-N606 PolarHBondContact O-N 2.99Å; Y601-I631 HydrophobicContact CD1-CG2 4.44Å; Y601-L634 HydrophobicContact CE1-CB 4.29Å; Y601-A635 HydrophobicContact CD1-CB 4.21Å; Y601-A635 HydrophobicContact CG-CB 4.06Å; Y601-K638 HydrophobicContact CD2-CB 4.48Å; Y601-K638 HydrophobicContact CD2-CD 4.38Å; Y601-K638 HydrophobicContact CE2-CB 4.35Å; Y601-K638 HydrophobicContact CE2-CD 3.49Å; Y601-K638 VanDerWaalsContact CE2-CD 3.49Å; Y601-K638 PolarHBondContact OH-NZ 3.29Å; Y601-K638 VanDerWaalsContact OH-NZ 3.09Å; Y601-I639 HydrophobicContact CD2-CD1 4.38Å; Y601-I639 HydrophobicContact CD2-CG1 4.34Å
602	E	84.3	Confident	74.5	Confident	90 Å²	90	67.3 Å²	67.3	42%	0.421	33%	0.333	S	S	.	.	I	π-helix	trans	-68.2	-48.5	-179.5	-70.6	-178.4	166.9	0	0	112.9	E598 I631	E598-E602 WeakPolarHBondContact O-CB 3.21Å; E598-E602 WeakPolarHBondContact O-CG 3.18Å; E598-E602 PolarHBondContact O-N 2.85Å; E602-I631 HydrophobicContact CG-CG2 4.31Å
603	K	77.7	Confident	71.9	Confident	122 Å²	122	70.2 Å²	70.2	53%	0.53	36%	0.355	S	S	.	.	I	π-helix	trans	-95.4	-22	-168.1	-61.5	-156.3	-173.8	-173	0	115.2	H599 L607	H599-K603 VanDerWaalsContact CE1-CD 3.43Å; H599-K603 WeakPolarHBondContact CE1-CD 3.34Å; H599-K603 VanDerWaalsContact CE1-CE 3.5Å; H599-K603 WeakPolarHBondContact CE1-CE 3.47Å; H599-K603 VanDerWaalsContact O-CB 3.3Å; H599-K603 WeakPolarHBondContact O-CB 3.49Å; H599-K603 PolarHBondContact O-N 3.39Å; K603-L607 VanDerWaalsContact O-CD1 3.23Å; K603-L607 WeakPolarHBondContact O-CD1 3.37Å
604	I	69.6	Low	69	Low	36 Å²	36	76.8 Å²	76.8	19%	0.185	40%	0.395	C	S	.	.	I	π-helix	trans	-111.3	-42.1	-172.3	-52.4	-176.1	0	0	0	110.2	V600 Y672	V600-I604 HydrophobicContact CB-CD1 4.45Å; V600-I604 HydrophobicContact CG1-CB 4.32Å; V600-I604 HydrophobicContact CG1-CD1 4.33Å; V600-I604 HydrophobicContact CG2-CD1 4.14Å; V600-I604 WeakPolarHBondContact O-CA 3.24Å; V600-I604 VanDerWaalsContact O-CB 3.25Å; V600-I604 WeakPolarHBondContact O-CB 3.39Å; V600-I604 PolarHBondContact O-N 3.45Å; I604-Y672 HydrophobicContact CD1-CD1 4.34Å; I604-Y672 HydrophobicContact CD1-CE1 3.77Å; I604-Y672 HydrophobicContact CG2-CE1 4.49Å; I604-Y672 HydrophobicContact CG2-CE2 3.72Å; I604-Y672 WeakPolarHBondContact CG2-OH 3.39Å
605	I	68.5	Low	66.3	Low	27 Å²	27	79 Å²	79	14%	0.138	42%	0.42	C	S	.	.	I	π-helix	trans	-94	-45.4	-175.8	-53.8	-148.7	0	0	0	112.8	V600 L607 D608 N609 I639	V600-I605 HydrophobicContact CG1-CG1 4.45Å; V600-I605 PolarHBondContact O-N 3.12Å; V600-I605 VanDerWaalsContact O-N 3.14Å; I605-L607 VanDerWaalsContact C-N 3.33Å; I605-L607 PolarHBondContact O-N 3.39Å; I605-D608 PolarHBondContact O-N 3.2Å; I605-N609 PolarHBondContact O-N 3.42Å; I605-I639 HydrophobicContact CD1-CD1 3.2Å; I605-I639 HydrophobicContact CG1-CD1 3.94Å
606	N	64.6	Low	63.6	Low	51 Å²	51	80 Å²	80	27%	0.273	44%	0.438	S	S	.	.	H	α-helix	trans	-68.2	-31.4	-178.3	-87.1	-6.4	0	0	0	113.3	Y601 D608 N609 E610	Y601-N606 WeakPolarHBondContact O-CB 3.35Å; Y601-N606 PolarHBondContact O-N 2.99Å; N606-D608 VanDerWaalsContact C-N 3.27Å; N606-D608 PolarHBondContact O-N 3.17Å; N606-N609 PolarHBondContact O-N 3.3Å; N606-N609 VanDerWaalsContact O-N 3.13Å; N606-E610 PolarHBondContact O-N 3.41Å
607	L	57.6	Low	60.9	Low	111 Å²	111	85.3 Å²	85.3	58%	0.581	48%	0.475	S	S	*	.	H	α-helix	trans	-65.5	-29.2	174.6	-85.8	163.1	0	0	0	113	K603 I605 N609	K603-L607 VanDerWaalsContact O-CD1 3.23Å; K603-L607 WeakPolarHBondContact O-CD1 3.37Å; I605-L607 VanDerWaalsContact C-N 3.33Å; I605-L607 PolarHBondContact O-N 3.39Å; L607-N609 VanDerWaalsContact C-N 3.32Å
608	D	52.1	Low	58.1	Low	115 Å²	115	92.7 Å²	92.7	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-74.8	-22.3	174.4	-85.4	-7.9	0	0	0	112.3	I605 N606 S611	I605-D608 PolarHBondContact O-N 3.2Å; N606-D608 VanDerWaalsContact C-N 3.27Å; N606-D608 PolarHBondContact O-N 3.17Å; D608-S611 PolarHBondContact O-OG 3.38Å
609	N	51.9	Low	55.6	Low	119 Å²	119	98.6 Å²	98.6	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-91.7	-32.3	178.1	-78.4	-24.7	0	0	0	114	I605 N606 L607 S611	I605-N609 PolarHBondContact O-N 3.42Å; N606-N609 PolarHBondContact O-N 3.3Å; N606-N609 VanDerWaalsContact O-N 3.13Å; L607-N609 VanDerWaalsContact C-N 3.32Å; N609-S611 VanDerWaalsContact C-N 3.31Å; N609-S611 PolarHBondContact O-N 3.1Å
610	E	49.9	Very low	53.1	Low	154 Å²	154	104.5 Å²	104.5	72%	0.72	58%	0.575	S	S	*	*	H	α-helix	trans	-80.1	-5.1	-177.9	-75.5	-162.5	160.4	0	0	114.9	N606 Q612	N606-E610 PolarHBondContact O-N 3.41Å; E610-Q612 PolarHBondContact O-N 3.18Å
611	S	44.6	Very low	50.6	Low	97 Å²	97	112.3 Å²	112.3	68%	0.678	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	4.9	172.5	42.7	0	0	0	0	114	D608 N609	D608-S611 PolarHBondContact O-OG 3.38Å; N609-S611 VanDerWaalsContact C-N 3.31Å; N609-S611 PolarHBondContact O-N 3.1Å
612	Q	40.9	Very low	48.1	Very low	172 Å²	172	117.7 Å²	117.7	80%	0.804	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	61.3	169.8	-65.2	-174.7	21	0	0	112.7	E610	E610-Q612 PolarHBondContact O-N 3.18Å
613	T	36.3	Very low	46.2	Very low	132 Å²	132	114.7 Å²	114.7	81%	0.81	64%	0.639	S	S	*	*			trans	176.4	114.4	144.1	33.3	0	0	0	0	111.4
614	T	31.2	Very low	44.6	Very low	137 Å²	137	114.7 Å²	114.7	84%	0.84	64%	0.641	S	S	*	*			trans	-88.8	123.8	165.5	46.2	0	0	0	0	110.2
615	S	34.8	Very low	43.5	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	67%	0.668	S	S	*	*				151.8	132.4	127.2	62.1	0	0	0	0	113.4
616	S	36.1	Very low	42.6	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	70%	0.695	S	S	*	*			trans	64.6	133.5	155.1	44.4	0	0	0	0	117.1
617	S	35.3	Very low	42.3	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	71%	0.713	S	S	*	*			cis	-169	146.8	21.8	37.8	0	0	0	0	109.6
618	N	32.8	Very low	42.4	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	71%	0.713	S	S	*	*			trans	-57.5	137.8	168.4	-73.4	-28	0	0	0	112
619	N	36.9	Very low	42.9	Very low	143 Å²	143	133 Å²	133	77%	0.765	72%	0.715	S	S	*	*			trans	-163.7	116.7	140.1	-100.9	-3.9	0	0	0	111.7
620	E	36.9	Very low	44	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	71%	0.711	S	S	*	*			trans	52.5	126.4	132.2	-58.7	-177.6	156.9	0	0	122
621	K	33.7	Very low	45.3	Very low	164 Å²	164	127.5 Å²	127.5	71%	0.713	69%	0.689	S	S	*	*			trans	-59.4	161.5	172.9	-68.6	-173.2	-179.9	-146	0	112.7	E624	K621-E624 VanDerWaalsContact CE-OE1 3.28Å; K621-E624 WeakPolarHBondContact CE-OE1 3.35Å; K621-E624 IonicContact NZ-OE1 2.76Å; K621-E624 PolarHBondContact NZ-OE1 3.4Å
622	P	33.5	Very low	46.8	Very low	131 Å²	131	123.3 Å²	123.3	85%	0.851	66%	0.661	S	S	*	*			cis	-134.4	133.9	26.9	34.7	-14.4	0	0	0	115.6
623	G	44.3	Very low	48.7	Very low	27 Å²	27	118.5 Å²	118.5	28%	0.278	64%	0.643	S	S	.	*			trans	-179	36.1	175.9	0	0	0	0	0	113.3	Q625 E626 K627	G623-Q625 VanDerWaalsContact C-N 3.3Å; G623-Q625 PolarHBondContact O-N 3.16Å; G623-E626 PolarHBondContact O-N 3.33Å; G623-K627 PolarHBondContact O-N 2.97Å; G623-K627 VanDerWaalsContact O-N 3.13Å
624	E	45.2	Very low	51	Low	123 Å²	123	115.2 Å²	115.2	58%	0.575	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-33.3	-173.4	-75.3	173.6	-175.6	0	0	112.4	K621 E628	K621-E624 VanDerWaalsContact CE-OE1 3.28Å; K621-E624 WeakPolarHBondContact CE-OE1 3.35Å; K621-E624 IonicContact NZ-OE1 2.76Å; K621-E624 PolarHBondContact NZ-OE1 3.4Å; E624-E628 PolarHBondContact O-N 3.35Å; E624-E628 VanDerWaalsContact O-N 3.15Å
625	Q	46.3	Very low	53.5	Low	162 Å²	162	108.7 Å²	108.7	76%	0.757	58%	0.58	S	S	*	*	H	α-helix	trans	-72.6	-44.3	176.5	-81.8	177.3	-24.5	0	0	113.5	G623 K627 E628 E629	G623-Q625 VanDerWaalsContact C-N 3.3Å; G623-Q625 PolarHBondContact O-N 3.16Å; Q625-K627 VanDerWaalsContact C-N 3.32Å; Q625-K627 PolarHBondContact O-N 2.82Å; Q625-E628 PolarHBondContact O-N 2.61Å; Q625-E629 PolarHBondContact O-N 2.99Å
626	E	49.9	Very low	55.8	Low	148 Å²	148	105.4 Å²	105.4	69%	0.692	55%	0.553	S	S	*	*	H	α-helix	trans	-62.8	-40.3	177.5	-73.6	-177.3	164	0	0	111.2	G623 E629 D630	G623-E626 PolarHBondContact O-N 3.33Å; E626-E629 PolarHBondContact O-N 2.77Å; E626-D630 WeakPolarHBondContact O-CB 3.49Å; E626-D630 PolarHBondContact O-N 3.1Å
627	K	58.2	Low	58.2	Low	149 Å²	149	106 Å²	106	65%	0.648	54%	0.544	S	S	*	.	H	α-helix	trans	-65.9	-38	176.1	-76	-175.2	177.8	-178.9	0	113.2	G623 Q625 I631	G623-K627 PolarHBondContact O-N 2.97Å; G623-K627 VanDerWaalsContact O-N 3.13Å; Q625-K627 VanDerWaalsContact C-N 3.32Å; Q625-K627 PolarHBondContact O-N 2.82Å; K627-I631 WeakPolarHBondContact O-CD1 3.43Å; K627-I631 VanDerWaalsContact O-CG1 3.25Å; K627-I631 WeakPolarHBondContact O-CG1 3.32Å; K627-I631 PolarHBondContact O-N 2.75Å; K627-I631 VanDerWaalsContact O-N 3.1Å
628	E	60	Low	60.6	Low	125 Å²	125	104.6 Å²	104.6	58%	0.584	52%	0.523	S	S	*	.	H	α-helix	trans	-67.6	-41.5	177.2	-84.8	-170.2	165.6	0	0	112	E624 Q625 I631 A632	E624-E628 PolarHBondContact O-N 3.35Å; E624-E628 VanDerWaalsContact O-N 3.15Å; Q625-E628 PolarHBondContact O-N 2.61Å; E628-I631 PolarHBondContact O-N 3.29Å; E628-A632 WeakPolarHBondContact O-CB 3.46Å; E628-A632 PolarHBondContact O-N 2.92Å
629	E	63.1	Low	63.3	Low	140 Å²	140	97.1 Å²	97.1	65%	0.654	48%	0.483	S	S	*	.	H	α-helix	trans	-64	-43.1	175.9	-73.1	-170.6	164.6	0	0	111.5	Q625 E626 I631 A632 V633	Q625-E629 PolarHBondContact O-N 2.99Å; E626-E629 PolarHBondContact O-N 2.77Å; E629-I631 PolarHBondContact O-N 3.36Å; E629-A632 PolarHBondContact O-N 3.33Å; E629-V633 WeakPolarHBondContact O-CG2 3.27Å; E629-V633 PolarHBondContact O-N 3.47Å
630	D	73.1	Confident	65.8	Low	105 Å²	105	92 Å²	92	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-59.9	-43.8	176.1	-80.9	-19.9	0	0	0	112.2	E626 V633 L634	E626-D630 WeakPolarHBondContact O-CB 3.49Å; E626-D630 PolarHBondContact O-N 3.1Å; D630-V633 PolarHBondContact O-N 3.44Å; D630-L634 WeakPolarHBondContact O-CB 3.39Å; D630-L634 WeakPolarHBondContact O-CD1 3.5Å; D630-L634 WeakPolarHBondContact O-CG 3.48Å; D630-L634 PolarHBondContact O-N 3.31Å
631	I	77.6	Confident	68.5	Low	52 Å²	52	83.4 Å²	83.4	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-42	178	-69.3	166.2	0	0	0	110.9	Y601 E602 K627 E628 E629 V633 L634 A635	Y601-I631 HydrophobicContact CD1-CG2 4.44Å; E602-I631 HydrophobicContact CG-CG2 4.31Å; K627-I631 WeakPolarHBondContact O-CD1 3.43Å; K627-I631 VanDerWaalsContact O-CG1 3.25Å; K627-I631 WeakPolarHBondContact O-CG1 3.32Å; K627-I631 PolarHBondContact O-N 2.75Å; K627-I631 VanDerWaalsContact O-N 3.1Å; E628-I631 PolarHBondContact O-N 3.29Å; E629-I631 PolarHBondContact O-N 3.36Å; I631-V633 VanDerWaalsContact C-N 3.34Å; I631-V633 PolarHBondContact O-N 3.05Å; I631-L634 PolarHBondContact O-N 3.01Å; I631-A635 VanDerWaalsContact O-CB 3.28Å; I631-A635 WeakPolarHBondContact O-CB 3.27Å; I631-A635 PolarHBondContact O-N 3.28Å
632	A	77.2	Confident	71.3	Confident	9 Å²	9	75.7 Å²	75.7	7%	0.074	38%	0.381	C	S	.	.	H	α-helix	trans	-62.4	-41.9	179.6	0	0	0	0	0	111.9	R594 E598 E628 E629 E636	R594-A632 PolarHBondContact NH1-O 2.8Å; E598-A632 HydrophobicContact CG-CB 4.27Å; E598-A632 WeakPolarHBondContact OE1-CB 3.22Å; E628-A632 WeakPolarHBondContact O-CB 3.46Å; E628-A632 PolarHBondContact O-N 2.92Å; E629-A632 PolarHBondContact O-N 3.33Å; A632-E636 WeakPolarHBondContact O-CG 3.43Å; A632-E636 PolarHBondContact O-N 3.43Å
633	V	81.2	Confident	74.1	Confident	71 Å²	71	69.5 Å²	69.5	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-48	175.2	175	0	0	0	0	110.5	E629 D630 I631 A635 E636 E637	E629-V633 WeakPolarHBondContact O-CG2 3.27Å; E629-V633 PolarHBondContact O-N 3.47Å; D630-V633 PolarHBondContact O-N 3.44Å; I631-V633 VanDerWaalsContact C-N 3.34Å; I631-V633 PolarHBondContact O-N 3.05Å; V633-A635 PolarHBondContact O-N 2.94Å; V633-E636 PolarHBondContact O-N 3.36Å; V633-E637 HydrophobicContact CG1-CG 4.48Å; V633-E637 WeakPolarHBondContact O-CG 3.39Å; V633-E637 PolarHBondContact O-N 3.22Å
634	L	83.3	Confident	76.3	Confident	64 Å²	64	73.2 Å²	73.2	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-41.2	179	-74.9	168	0	0	0	113	Y601 D630 I631 E636 E637 K638	Y601-L634 HydrophobicContact CE1-CB 4.29Å; D630-L634 WeakPolarHBondContact O-CB 3.39Å; D630-L634 WeakPolarHBondContact O-CD1 3.5Å; D630-L634 WeakPolarHBondContact O-CG 3.48Å; D630-L634 PolarHBondContact O-N 3.31Å; I631-L634 PolarHBondContact O-N 3.01Å; L634-E636 VanDerWaalsContact C-N 3.33Å; L634-E637 PolarHBondContact O-N 3.27Å; L634-K638 WeakPolarHBondContact O-CB 3.34Å; L634-K638 WeakPolarHBondContact O-CG 3.46Å; L634-K638 PolarHBondContact O-N 2.95Å; L634-K638 VanDerWaalsContact O-N 3.08Å
635	A	84.6	Confident	78.4	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-41.6	177.7	0	0	0	0	0	111	E598 Y601 I631 V633 K638 I639	E598-A635 HydrophobicContact CB-CB 4.48Å; E598-A635 HydrophobicContact CG-CB 4.08Å; Y601-A635 HydrophobicContact CD1-CB 4.21Å; Y601-A635 HydrophobicContact CG-CB 4.06Å; I631-A635 VanDerWaalsContact O-CB 3.28Å; I631-A635 WeakPolarHBondContact O-CB 3.27Å; I631-A635 PolarHBondContact O-N 3.28Å; V633-A635 PolarHBondContact O-N 2.94Å; A635-K638 PolarHBondContact O-N 2.78Å; A635-I639 VanDerWaalsContact O-CB 3.25Å; A635-I639 WeakPolarHBondContact O-CB 3.45Å; A635-I639 WeakPolarHBondContact O-CG1 3.37Å; A635-I639 PolarHBondContact O-N 3.11Å
636	E	83.4	Confident	80.6	Confident	34 Å²	34	70.3 Å²	70.3	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-68.9	-34.7	176.2	-75	-168.6	165.5	0	0	113.9	R594 M597 A632 V633 L634 K638 P650 K675	R594-E636 WeakPolarHBondContact CB-OE1 3.28Å; R594-E636 HydrophobicContact CG-CG 4.32Å; R594-E636 WeakPolarHBondContact CG-OE1 3.45Å; R594-E636 IonicContact CZ-OE1 2.83Å; R594-E636 IonicContact CZ-OE2 2.8Å; R594-E636 IonicContact NE-OE1 2.96Å; R594-E636 PolarHBondContact NE-OE1 3.32Å; R594-E636 IonicContact NH1-OE1 3.76Å; R594-E636 PolarHBondContact NH1-OE1 3.47Å; R594-E636 IonicContact NH1-OE2 2.82Å; R594-E636 PolarHBondContact NH1-OE2 3.24Å; R594-E636 VanDerWaalsContact NH1-OE2 3.1Å; R594-E636 IonicContact NH2-OE1 3.39Å; R594-E636 PolarHBondContact NH2-OE1 3.36Å; R594-E636 IonicContact NH2-OE2 2.76Å; R594-E636 PolarHBondContact NH2-OE2 3.41Å; M597-E636 HydrophobicContact CE-CB 4.46Å; M597-E636 HydrophobicContact CE-CG 4.23Å; M597-E636 HydrophobicContact SD-CG 4.18Å; A632-E636 WeakPolarHBondContact O-CG 3.43Å; A632-E636 PolarHBondContact O-N 3.43Å; V633-E636 PolarHBondContact O-N 3.36Å; L634-E636 VanDerWaalsContact C-N 3.33Å; E636-K638 VanDerWaalsContact C-N 3.33Å; E636-P650 HydrophobicContact CG-CB 4.34Å; E636-P650 HydrophobicContact CG-CG 4.4Å; E636-P650 WeakPolarHBondContact OE1-CB 3.2Å; E636-K675 WeakPolarHBondContact O-CE 3.41Å; E636-K675 PolarHBondContact O-NZ 3.2Å
637	E	85.8	Confident	82.6	Confident	125 Å²	125	66.7 Å²	66.7	58%	0.584	33%	0.329	S	S	*	.	H	α-helix	trans	-70.5	-29	176.2	-74.4	-176.4	168.5	0	0	112.8	V633 L634 K675	V633-E637 HydrophobicContact CG1-CG 4.48Å; V633-E637 WeakPolarHBondContact O-CG 3.39Å; V633-E637 PolarHBondContact O-N 3.22Å; L634-E637 PolarHBondContact O-N 3.27Å; E637-K675 WeakPolarHBondContact O-CD 3.4Å
638	K	86.4	Confident	84.3	Confident	84 Å²	84	60 Å²	60	37%	0.365	30%	0.3	S	S	.	.	H	α-helix	trans	-104.7	-24.8	-172.7	-68.8	-179	178.9	-180	0	114.9	Y601 L634 A635 E636 Q674 K675	Y601-K638 HydrophobicContact CD2-CB 4.48Å; Y601-K638 HydrophobicContact CD2-CD 4.38Å; Y601-K638 HydrophobicContact CE2-CB 4.35Å; Y601-K638 HydrophobicContact CE2-CD 3.49Å; Y601-K638 VanDerWaalsContact CE2-CD 3.49Å; Y601-K638 PolarHBondContact OH-NZ 3.29Å; Y601-K638 VanDerWaalsContact OH-NZ 3.09Å; L634-K638 WeakPolarHBondContact O-CB 3.34Å; L634-K638 WeakPolarHBondContact O-CG 3.46Å; L634-K638 PolarHBondContact O-N 2.95Å; L634-K638 VanDerWaalsContact O-N 3.08Å; A635-K638 PolarHBondContact O-N 2.78Å; E636-K638 VanDerWaalsContact C-N 3.33Å; K638-Q674 CarbonylContact O-C 3.56Å; K638-Q674 VanDerWaalsContact O-CA 3.28Å; K638-Q674 WeakPolarHBondContact O-CA 3.41Å; K638-Q674 WeakPolarHBondContact O-CG 3.4Å; K638-K675 PolarHBondContact O-N 2.88Å
639	I	88.1	Confident	85.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.6	-174	-53.3	-61	0	0	0	110.6	M597 V600 Y601 I605 A635 K675	M597-I639 HydrophobicContact CB-CB 4.41Å; M597-I639 HydrophobicContact CB-CG2 4.4Å; M597-I639 HydrophobicContact CE-CB 4.17Å; M597-I639 WeakPolarHBondContact CE-O 3.15Å; M597-I639 HydrophobicContact CG-CG2 4.47Å; V600-I639 HydrophobicContact CB-CG2 4.49Å; V600-I639 HydrophobicContact CG1-CD1 4.28Å; V600-I639 HydrophobicContact CG1-CG2 4.12Å; Y601-I639 HydrophobicContact CD2-CD1 4.38Å; Y601-I639 HydrophobicContact CD2-CG1 4.34Å; I605-I639 HydrophobicContact CD1-CD1 3.2Å; I605-I639 HydrophobicContact CG1-CD1 3.94Å; A635-I639 VanDerWaalsContact O-CB 3.25Å; A635-I639 WeakPolarHBondContact O-CB 3.45Å; A635-I639 WeakPolarHBondContact O-CG1 3.37Å; A635-I639 PolarHBondContact O-N 3.11Å; I639-K675 VanDerWaalsContact O-CE 3.31Å; I639-K675 WeakPolarHBondContact O-CE 3.39Å
640	E	90.9	Very high	87.1	Confident	37 Å²	37	52.7 Å²	52.7	17%	0.173	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.5	159.6	-85.6	170.8	177.5	0	0	109.4	L642 V647 Y672 R673 K675	E640-L642 HydrophobicContact CB-CD1 4.17Å; E640-V647 HydrophobicContact CG-CG1 4.1Å; E640-Y672 WeakPolarHBondContact O-CA 3.49Å; E640-R673 HydrophobicContact CB-CG 4.01Å; E640-R673 PolarHBondContact N-O 3.46Å; E640-R673 PolarHBondContact O-N 3.06Å; E640-R673 IonicContact OE2-CZ 3.18Å; E640-R673 IonicContact OE2-NE 2.77Å; E640-R673 PolarHBondContact OE2-NE 3.36Å; E640-R673 IonicContact OE2-NH2 2.73Å; E640-R673 PolarHBondContact OE2-NH2 3.03Å; E640-K675 HydrophobicContact CB-CG 4.4Å; E640-K675 HydrophobicContact CG-CD 4.12Å; E640-K675 VanDerWaalsContact CG-CE 3.47Å; E640-K675 HydrophobicContact CG-CG 3.52Å
641	L	92.6	Very high	87.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.6	165.4	-78	173.1	0	0	0	109.8	L569 V593 V596 M597 V600 L648 H671	L569-L641 HydrophobicContact CD2-CD2 4.08Å; V593-L641 HydrophobicContact CG1-CB 4.1Å; V593-L641 HydrophobicContact CG1-CD1 3.74Å; V596-L641 HydrophobicContact CB-CD1 3.63Å; V596-L641 HydrophobicContact CG1-CD1 3.61Å; V596-L641 HydrophobicContact CG1-CD2 4.43Å; M597-L641 HydrophobicContact CB-CD1 4.43Å; M597-L641 HydrophobicContact CG-CB 4.5Å; M597-L641 HydrophobicContact CG-CD1 3.46Å; M597-L641 VanDerWaalsContact CG-CD1 3.46Å; M597-L641 HydrophobicContact CG-CG 3.84Å; V600-L641 HydrophobicContact CG2-CD2 4.4Å; L641-L648 HydrophobicContact CB-CD1 4.22Å; L641-L648 WeakPolarHBondContact O-CB 3.33Å; L641-L648 PolarHBondContact O-N 2.66Å; L641-H671 CarbonylContact C-O 3.51Å; L641-H671 WeakPolarHBondContact CA-O 3.44Å
642	L	92.9	Very high	88.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.3	-178.8	-57.6	92.8	0	0	0	110.5	E640 Q646 V647 L670 H671 R673	E640-L642 HydrophobicContact CB-CD1 4.17Å; L642-Q646 CarbonylContact C-O 3.52Å; L642-Q646 WeakPolarHBondContact CA-O 3.22Å; L642-V647 HydrophobicContact CD2-CG2 4.09Å; L642-V647 HydrophobicContact CG-CG2 4.25Å; L642-L670 CarbonylContact O-C 3.47Å; L642-L670 WeakPolarHBondContact O-CA 3.27Å; L642-H671 HydrophobicContact CB-CB 4.38Å; L642-H671 PolarHBondContact N-O 2.86Å; L642-H671 PolarHBondContact O-N 2.63Å; L642-R673 HydrophobicContact CD1-CG 3.91Å
643	C	92.9	Very high	89.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.6	166.8	-175.8	0	0	0	0	107.5	D645 Q646 L648 V657 I661 L670	C643-D645 VanDerWaalsContact C-N 3.29Å; C643-D645 PolarHBondContact O-N 3.27Å; C643-Q646 PolarHBondContact N-O 3.31Å; C643-Q646 WeakPolarHBondContact O-CB 3.36Å; C643-Q646 PolarHBondContact O-N 3.49Å; C643-Q646 VanDerWaalsContact O-N 3.08Å; C643-L648 HydrophobicContact CB-CD1 4.18Å; C643-L648 HydrophobicContact CB-CD2 3.87Å; C643-L648 HydrophobicContact CB-CG 4.34Å; C643-V657 HydrophobicContact CB-CG1 3.93Å; C643-I661 HydrophobicContact CB-CG2 3.8Å; C643-I661 VanDerWaalsContact O-CG2 3.3Å; C643-I661 WeakPolarHBondContact O-CG2 3.41Å; C643-L670 HydrophobicContact CB-CD2 4Å
644	Q	90.7	Very high	89.8	Confident	105 Å²	105	48.5 Å²	48.5	49%	0.491	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	47.8	-173.6	-58.6	-174.9	-4.9	0	0	113	Q646 I661 W662	Q644-Q646 PolarHBondContact O-N 3.16Å; Q644-I661 PolarHBondContact OE1-O 3.45Å; Q644-W662 HydrophobicContact CG-CE3 4.07Å; Q644-W662 HydrophobicContact CG-CZ3 4.33Å; Q644-W662 PolarHBondContact NE2-O 2.88Å
645	D	88	Confident	90.2	Very high	125 Å²	125	46.1 Å²	46.1	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	7.4	-178.6	-53.4	-37.2	0	0	0	115.7	H572 C643	H572-D645 IonicContact NE2-OD1 3.65Å; C643-D645 VanDerWaalsContact C-N 3.29Å; C643-D645 PolarHBondContact O-N 3.27Å
646	Q	92	Very high	90.6	Very high	100 Å²	100	46.3 Å²	46.3	47%	0.467	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.3	171.7	-173.8	177.4	2.1	0	0	110.3	L642 C643 Q644 L648 I661	L642-Q646 CarbonylContact C-O 3.52Å; L642-Q646 WeakPolarHBondContact CA-O 3.22Å; C643-Q646 PolarHBondContact N-O 3.31Å; C643-Q646 WeakPolarHBondContact O-CB 3.36Å; C643-Q646 PolarHBondContact O-N 3.49Å; C643-Q646 VanDerWaalsContact O-N 3.08Å; Q644-Q646 PolarHBondContact O-N 3.16Å; Q646-L648 PolarHBondContact O-N 3.12Å; Q646-I661 HydrophobicContact CB-CG2 4.28Å
647	V	92.8	Very high	91.1	Very high	71 Å²	71	44.7 Å²	44.7	43%	0.43	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.5	172.3	-178.5	0	0	0	0	109.5	E640 L642	E640-V647 HydrophobicContact CG-CG1 4.1Å; L642-V647 HydrophobicContact CD2-CG2 4.09Å; L642-V647 HydrophobicContact CG-CG2 4.25Å
648	L	93.5	Very high	91.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-86.6	138.2	-177.3	-59.6	-175.8	0	0	0	111.1	V593 L641 C643 Q646 V657 I661 L670	V593-L648 HydrophobicContact CG1-CB 3.88Å; V593-L648 HydrophobicContact CG1-CD1 4.4Å; V593-L648 HydrophobicContact CG2-CB 4.28Å; V593-L648 HydrophobicContact CG2-CD1 4.11Å; L641-L648 HydrophobicContact CB-CD1 4.22Å; L641-L648 WeakPolarHBondContact O-CB 3.33Å; L641-L648 PolarHBondContact O-N 2.66Å; C643-L648 HydrophobicContact CB-CD1 4.18Å; C643-L648 HydrophobicContact CB-CD2 3.87Å; C643-L648 HydrophobicContact CB-CG 4.34Å; Q646-L648 PolarHBondContact O-N 3.12Å; L648-V657 HydrophobicContact CD1-CG1 3.84Å; L648-V657 HydrophobicContact CD1-CG2 4.03Å; L648-V657 HydrophobicContact CD2-CG1 3.86Å; L648-V657 HydrophobicContact CD2-CG2 4.14Å; L648-I661 HydrophobicContact CD2-CD1 3.29Å; L648-L670 HydrophobicContact CD1-CD2 3.67Å
649	D	91.5	Very high	91.6	Very high	82 Å²	82	41.8 Å²	41.8	44%	0.439	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-68.4	126.1	168	-180	-24.7	0	0	0	108.7	N651 M652	D649-N651 PolarHBondContact O-N 2.9Å; D649-N651 VanDerWaalsContact O-N 3.08Å; D649-N651 WeakPolarHBondContact OD1-CB 3.44Å; D649-N651 PolarHBondContact OD1-N 3.1Å; D649-N651 PolarHBondContact OD1-ND2 3.2Å; D649-M652 HydrophobicContact CB-CG 3.95Å; D649-M652 HydrophobicContact CB-SD 4.05Å; D649-M652 WeakPolarHBondContact O-CB 3.43Å; D649-M652 PolarHBondContact O-N 2.99Å
650	P	91.6	Very high	91.8	Very high	30 Å²	30	43.6 Å²	43.6	20%	0.195	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.4	-179.3	-24.3	33.2	0	0	0	114.8	V593 R594 M597 E636	V593-P650 PolarHBondContact N-O 3.1Å; R594-P650 HydrophobicContact CB-CB 4.12Å; R594-P650 PolarHBondContact N-O 3.32Å; M597-P650 HydrophobicContact SD-CB 3.95Å; M597-P650 HydrophobicContact SD-CG 3.92Å; E636-P650 HydrophobicContact CG-CB 4.34Å; E636-P650 HydrophobicContact CG-CG 4.4Å; E636-P650 WeakPolarHBondContact OE1-CB 3.2Å
651	N	89.3	Confident	91.9	Very high	105 Å²	105	42.1 Å²	42.1	56%	0.561	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.5	179.8	-56.4	-62.4	0	0	0	113.4	D649	D649-N651 PolarHBondContact O-N 2.9Å; D649-N651 VanDerWaalsContact O-N 3.08Å; D649-N651 WeakPolarHBondContact OD1-CB 3.44Å; D649-N651 PolarHBondContact OD1-N 3.1Å; D649-N651 PolarHBondContact OD1-ND2 3.2Å
652	M	91.1	Very high	91.9	Very high	22 Å²	22	44.1 Å²	44.1	11%	0.108	22%	0.221	C	C	.	.			trans	-69.6	149.1	174.8	-69.7	175.8	80	0	0	110.8	Q592 V593 D649 T656 V657 I661	Q592-M652 CarbonylContact C-O 3.52Å; Q592-M652 WeakPolarHBondContact CA-O 3.37Å; V593-M652 HydrophobicContact CG2-CB 4.21Å; V593-M652 VanDerWaalsContact CG2-O 3.31Å; V593-M652 WeakPolarHBondContact CG2-O 3.38Å; V593-M652 PolarHBondContact N-O 3.18Å; D649-M652 HydrophobicContact CB-CG 3.95Å; D649-M652 HydrophobicContact CB-SD 4.05Å; D649-M652 WeakPolarHBondContact O-CB 3.43Å; D649-M652 PolarHBondContact O-N 2.99Å; M652-T656 HydrophobicContact CE-CG2 3.48Å; M652-T656 VanDerWaalsContact CE-CG2 3.48Å; M652-V657 HydrophobicContact CB-CG2 4.02Å; M652-V657 HydrophobicContact CE-CG2 4.12Å; M652-V657 HydrophobicContact SD-CG2 4.48Å; M652-I661 HydrophobicContact CE-CD1 3.9Å; M652-I661 HydrophobicContact SD-CD1 4.26Å
653	D	92.2	Very high	91.6	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.123	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-95.7	160.9	168.5	64.9	20.4	0	0	0	112.3	L591 R655 T656 V657	L591-D653 WeakPolarHBondContact O-CA 3.37Å; D653-R655 VanDerWaalsContact CG-CG 3.48Å; D653-R655 PolarHBondContact O-N 2.93Å; D653-R655 WeakPolarHBondContact OD1-CG 3.34Å; D653-R655 IonicContact OD1-NE 3.64Å; D653-R655 IonicContact OD2-CZ 2.72Å; D653-R655 IonicContact OD2-NE 2.76Å; D653-R655 PolarHBondContact OD2-NE 3.18Å; D653-R655 IonicContact OD2-NH2 3.1Å; D653-R655 PolarHBondContact OD2-NH2 2.86Å; D653-T656 PolarHBondContact O-N 3.21Å; D653-T656 WeakPolarHBondContact OD1-CB 3.26Å; D653-T656 PolarHBondContact OD1-N 2.9Å; D653-T656 PolarHBondContact OD1-OG1 3.22Å; D653-V657 WeakPolarHBondContact O-CG2 3.5Å; D653-V657 PolarHBondContact O-N 3.08Å
654	L	93.2	Very high	91.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-32.9	-176.2	-68	-174.1	0	0	0	113.5	I565 F567 D589 L591 V596 K658 L668 L670	I565-L654 HydrophobicContact CG2-CB 3.94Å; I565-L654 HydrophobicContact CG2-CD1 3.71Å; F567-L654 HydrophobicContact CD1-CD1 3.72Å; F567-L654 HydrophobicContact CE1-CD1 3.71Å; F567-L654 HydrophobicContact CG-CD1 4.26Å; F567-L654 HydrophobicContact CZ-CD1 4.23Å; D589-L654 PolarHBondContact O-N 2.88Å; L591-L654 HydrophobicContact CB-CD1 4.06Å; L591-L654 HydrophobicContact CB-CG 4.22Å; L591-L654 HydrophobicContact CD2-CD1 4.25Å; L591-L654 WeakPolarHBondContact O-CG 3.2Å; L591-L654 PolarHBondContact O-N 3.4Å; V596-L654 HydrophobicContact CG2-CD2 4.18Å; L654-K658 WeakPolarHBondContact O-CB 3.5Å; L654-K658 PolarHBondContact O-N 3Å; L654-L668 HydrophobicContact CB-CD2 4.25Å; L654-L668 HydrophobicContact CD2-CD2 3.91Å; L654-L670 HydrophobicContact CD2-CD1 3.79Å
655	R	92	Very high	91	Very high	13 Å²	13	53.4 Å²	53.4	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-70.1	-37.8	175.5	62.8	-177.8	159.3	-172.3	1.6	112.8	Y415 W442 D589 D653 K658 H659	Y415-R655 HydrophobicContact CD1-CB 4.04Å; Y415-R655 HydrophobicContact CD1-CG 4.22Å; Y415-R655 WeakPolarHBondContact O-CD 3.18Å; W442-R655 PolarHBondContact O-NH1 3.13Å; W442-R655 PolarHBondContact O-NH2 3.44Å; D589-R655 HydrophobicContact CB-CB 4.22Å; D589-R655 PolarHBondContact O-N 3.36Å; D653-R655 VanDerWaalsContact CG-CG 3.48Å; D653-R655 PolarHBondContact O-N 2.93Å; D653-R655 WeakPolarHBondContact OD1-CG 3.34Å; D653-R655 IonicContact OD1-NE 3.64Å; D653-R655 IonicContact OD2-CZ 2.72Å; D653-R655 IonicContact OD2-NE 2.76Å; D653-R655 PolarHBondContact OD2-NE 3.18Å; D653-R655 IonicContact OD2-NH2 3.1Å; D653-R655 PolarHBondContact OD2-NH2 2.86Å; R655-K658 PolarHBondContact O-N 3.22Å; R655-H659 WeakPolarHBondContact O-CB 3.47Å; R655-H659 PolarHBondContact O-N 3.07Å
656	T	92	Very high	90.9	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-42.8	175.6	-58.6	0	0	0	0	110	M413 Y415 M652 D653 K658 H659 F660	M413-T656 WeakPolarHBondContact O-CG2 3.32Å; Y415-T656 PolarHBondContact N-OG1 3.4Å; M652-T656 HydrophobicContact CE-CG2 3.48Å; M652-T656 VanDerWaalsContact CE-CG2 3.48Å; D653-T656 PolarHBondContact O-N 3.21Å; D653-T656 WeakPolarHBondContact OD1-CB 3.26Å; D653-T656 PolarHBondContact OD1-N 2.9Å; D653-T656 PolarHBondContact OD1-OG1 3.22Å; T656-K658 PolarHBondContact O-N 3.39Å; T656-H659 PolarHBondContact O-N 3.34Å; T656-F660 HydrophobicContact CG2-CD2 3.65Å; T656-F660 HydrophobicContact CG2-CE2 4.09Å; T656-F660 PolarHBondContact O-N 3.37Å
657	V	93.6	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-46	172.7	179	0	0	0	0	110.9	V593 C643 L648 M652 D653 H659 I661 W662 L668 L670	V593-V657 HydrophobicContact CG2-CG2 3.83Å; C643-V657 HydrophobicContact CB-CG1 3.93Å; L648-V657 HydrophobicContact CD1-CG1 3.84Å; L648-V657 HydrophobicContact CD1-CG2 4.03Å; L648-V657 HydrophobicContact CD2-CG1 3.86Å; L648-V657 HydrophobicContact CD2-CG2 4.14Å; M652-V657 HydrophobicContact CB-CG2 4.02Å; M652-V657 HydrophobicContact CE-CG2 4.12Å; M652-V657 HydrophobicContact SD-CG2 4.48Å; D653-V657 WeakPolarHBondContact O-CG2 3.5Å; D653-V657 PolarHBondContact O-N 3.08Å; V657-H659 VanDerWaalsContact C-N 3.32Å; V657-H659 PolarHBondContact O-N 3.2Å; V657-I661 HydrophobicContact CG1-CB 4.46Å; V657-I661 WeakPolarHBondContact O-CB 3.33Å; V657-I661 PolarHBondContact O-N 3.49Å; V657-W662 PolarHBondContact O-N 3.18Å; V657-L668 HydrophobicContact CG1-CD1 3.95Å; V657-L668 HydrophobicContact CG1-CD2 4.41Å; V657-L670 HydrophobicContact CG1-CD2 4.09Å
658	K	92.5	Very high	90.8	Very high	60 Å²	60	42.8 Å²	42.8	26%	0.261	24%	0.243	S	C	.	.	I	π-helix	trans	-60.7	-41.9	177.8	-177.9	167	177.6	173.6	0	112	I565 L654 R655 T656 W662 K663	I565-K658 HydrophobicContact CD1-CB 3.99Å; I565-K658 HydrophobicContact CD1-CD 3.43Å; I565-K658 VanDerWaalsContact CD1-CD 3.43Å; I565-K658 HydrophobicContact CD1-CG 4.31Å; I565-K658 HydrophobicContact CG1-CD 4.32Å; L654-K658 WeakPolarHBondContact O-CB 3.5Å; L654-K658 PolarHBondContact O-N 3Å; R655-K658 PolarHBondContact O-N 3.22Å; T656-K658 PolarHBondContact O-N 3.39Å; K658-W662 WeakPolarHBondContact O-CB 3.47Å; K658-K663 PolarHBondContact O-N 3.12Å
659	H	91	Very high	90.8	Very high	88 Å²	88	43.5 Å²	43.5	41%	0.407	25%	0.247	S	C	.	.	I	π-helix	trans	-74.8	-50.1	-175.8	-171.4	76.9	0	0	0	113	Y415 R655 T656 V657	Y415-H659 HydrophobicContact CD1-CB 3.95Å; Y415-H659 HydrophobicContact CD2-CB 3.77Å; Y415-H659 AromaticContact CD2-CD2 3.38Å; Y415-H659 WeakPolarHBondContact CD2-CD2 3.46Å; Y415-H659 AromaticContact CD2-CE1 3.62Å; Y415-H659 AromaticContact CD2-CG 3.22Å; Y415-H659 AromaticContact CD2-ND1 3.4Å; Y415-H659 WeakPolarHBondContact CD2-ND1 3.42Å; Y415-H659 AromaticContact CD2-NE2 3.63Å; Y415-H659 HydrophobicContact CE1-CB 4.48Å; Y415-H659 HydrophobicContact CE2-CB 4.31Å; Y415-H659 AromaticContact CE2-CD2 3.97Å; Y415-H659 AromaticContact CE2-CE1 3.38Å; Y415-H659 WeakPolarHBondContact CE2-CE1 3.01Å; Y415-H659 AromaticContact CE2-CG 3.6Å; Y415-H659 AromaticContact CE2-ND1 3.21Å; Y415-H659 WeakPolarHBondContact CE2-ND1 3.45Å; Y415-H659 AromaticContact CE2-NE2 3.84Å; Y415-H659 HydrophobicContact CG-CB 3.55Å; Y415-H659 AromaticContact CG-CD2 3.99Å; Y415-H659 AromaticContact CG-CG 3.59Å; Y415-H659 AromaticContact CZ-ND1 3.76Å; R655-H659 WeakPolarHBondContact O-CB 3.47Å; R655-H659 PolarHBondContact O-N 3.07Å; T656-H659 PolarHBondContact O-N 3.34Å; V657-H659 VanDerWaalsContact C-N 3.32Å; V657-H659 PolarHBondContact O-N 3.2Å
660	F	91.6	Very high	90.9	Very high	39 Å²	39	39.6 Å²	39.6	17%	0.171	23%	0.227	C	C	.	.	I	π-helix	trans	-94	-22.5	-170.7	-72.2	-73.8	0	0	0	115.1	F411 M413 V414 T656 K663	F411-F660 HydrophobicContact CZ-CE1 4.01Å; F411-F660 HydrophobicContact CZ-CZ 4.31Å; M413-F660 HydrophobicContact CE-CB 3.52Å; M413-F660 HydrophobicContact CE-CD1 4.24Å; M413-F660 HydrophobicContact CE-CD2 4.42Å; M413-F660 HydrophobicContact CE-CG 3.83Å; M413-F660 HydrophobicContact SD-CB 4.36Å; M413-F660 HydrophobicContact SD-CD1 4.11Å; M413-F660 HydrophobicContact SD-CD2 4.28Å; M413-F660 HydrophobicContact SD-CE1 4.47Å; M413-F660 HydrophobicContact SD-CG 4Å; V414-F660 WeakPolarHBondContact O-CE2 3.39Å; T656-F660 HydrophobicContact CG2-CD2 3.65Å; T656-F660 HydrophobicContact CG2-CE2 4.09Å; T656-F660 PolarHBondContact O-N 3.37Å; F660-K663 WeakPolarHBondContact O-CE 3.26Å
661	I	92.2	Very high	90.9	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	23%	0.227	C	C	.	.	I	π-helix	trans	-113.5	-56.8	-174.9	-55.8	175.1	0	0	0	109.7	C643 Q644 Q646 L648 M652 V657 K663	C643-I661 HydrophobicContact CB-CG2 3.8Å; C643-I661 VanDerWaalsContact O-CG2 3.3Å; C643-I661 WeakPolarHBondContact O-CG2 3.41Å; Q644-I661 PolarHBondContact OE1-O 3.45Å; Q646-I661 HydrophobicContact CB-CG2 4.28Å; L648-I661 HydrophobicContact CD2-CD1 3.29Å; M652-I661 HydrophobicContact CE-CD1 3.9Å; M652-I661 HydrophobicContact SD-CD1 4.26Å; V657-I661 HydrophobicContact CG1-CB 4.46Å; V657-I661 WeakPolarHBondContact O-CB 3.33Å; V657-I661 PolarHBondContact O-N 3.49Å; I661-K663 PolarHBondContact O-N 2.95Å
662	W	92.6	Very high	90.9	Very high	43 Å²	43	35.6 Å²	35.6	16%	0.163	20%	0.202	C	C	.	.	I	π-helix	trans	-63.3	-44.5	-178.6	-177.7	-119.6	0	0	0	113.3	Q644 V657 K658 S664 G666 D667 L668	Q644-W662 HydrophobicContact CG-CE3 4.07Å; Q644-W662 HydrophobicContact CG-CZ3 4.33Å; Q644-W662 PolarHBondContact NE2-O 2.88Å; V657-W662 PolarHBondContact O-N 3.18Å; K658-W662 WeakPolarHBondContact O-CB 3.47Å; W662-S664 VanDerWaalsContact CD1-O 3.27Å; W662-S664 PolarHBondContact NE1-O 2.89Å; W662-S664 PolarHBondContact O-N 3.18Å; W662-G666 PolarHBondContact NE1-O 3.48Å; W662-G666 VanDerWaalsContact NE1-O 3.1Å; W662-D667 WeakPolarHBondContact CZ2-O 3.37Å; W662-D667 PolarHBondContact NE1-O 3.27Å; W662-L668 HydrophobicContact CB-CD1 3.73Å; W662-L668 HydrophobicContact CD2-CD1 4.35Å; W662-L668 HydrophobicContact CG-CD1 3.93Å
663	K	88.4	Confident	90.8	Very high	163 Å²	163	37.6 Å²	37.6	71%	0.709	21%	0.208	S	C	*	.			trans	50.4	17.2	175.6	-59.4	-175.9	-171.5	-180	0	115.8	K658 F660 I661	K658-K663 PolarHBondContact O-N 3.12Å; F660-K663 WeakPolarHBondContact O-CE 3.26Å; I661-K663 PolarHBondContact O-N 2.95Å
664	S	87.4	Confident	90.4	Very high	57 Å²	57	42.2 Å²	42.2	40%	0.399	23%	0.229	S	C	.	.	S	Bend	trans	-115.6	146.5	-178.9	170.8	0	0	0	0	110.6	W662 G666	W662-S664 VanDerWaalsContact CD1-O 3.27Å; W662-S664 PolarHBondContact NE1-O 2.89Å; W662-S664 PolarHBondContact O-N 3.18Å; S664-G666 PolarHBondContact O-N 3.46Å; S664-G666 PolarHBondContact OG-N 3.31Å
665	G	82.7	Confident	90	Very high	83 Å²	83	45.8 Å²	45.8	86%	0.856	24%	0.244	S	C	*	.	S	Bend	trans	-68.9	-15.5	178.1	0	0	0	0	0	113.8
666	G	86.3	Confident	88.8	Confident	35 Å²	35	50.6 Å²	50.6	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	-74.1	176.4	177.2	0	0	0	0	0	114	W662 S664	W662-G666 PolarHBondContact NE1-O 3.48Å; W662-G666 VanDerWaalsContact NE1-O 3.1Å; S664-G666 PolarHBondContact O-N 3.46Å; S664-G666 PolarHBondContact OG-N 3.31Å
667	D	89.8	Confident	87	Confident	38 Å²	38	60.4 Å²	60.4	20%	0.203	34%	0.34	C	S	.	.			trans	-61.4	141.9	173.5	-70	-3.2	0	0	0	111	P566 Y568 R584 W662 T669	P566-D667 VanDerWaalsContact CG-OD1 3.25Å; P566-D667 WeakPolarHBondContact CG-OD1 3.38Å; Y568-D667 HydrophobicContact CD2-CB 4.07Å; Y568-D667 HydrophobicContact CE2-CB 3.76Å; R584-D667 IonicContact CZ-OD2 2.93Å; R584-D667 IonicContact NE-OD2 3.87Å; R584-D667 PolarHBondContact NE-OD2 2.81Å; R584-D667 IonicContact NH2-OD1 3.4Å; R584-D667 IonicContact NH2-OD2 2.78Å; R584-D667 PolarHBondContact NH2-OD2 3.36Å; W662-D667 WeakPolarHBondContact CZ2-O 3.37Å; W662-D667 PolarHBondContact NE1-O 3.27Å; D667-T669 PolarHBondContact O-N 3.13Å
668	L	92.1	Very high	86.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.4	-179.3	173.7	64.7	0	0	0	109.8	F567 Y568 L654 V657 W662 L670	F567-L668 CarbonylContact C-O 3.58Å; F567-L668 WeakPolarHBondContact CA-O 3.37Å; F567-L668 HydrophobicContact CB-CB 3.88Å; F567-L668 HydrophobicContact CB-CD2 4.25Å; F567-L668 HydrophobicContact CB-CG 4.21Å; F567-L668 WeakPolarHBondContact CB-O 3.05Å; Y568-L668 PolarHBondContact N-O 2.65Å; L654-L668 HydrophobicContact CB-CD2 4.25Å; L654-L668 HydrophobicContact CD2-CD2 3.91Å; V657-L668 HydrophobicContact CG1-CD1 3.95Å; V657-L668 HydrophobicContact CG1-CD2 4.41Å; W662-L668 HydrophobicContact CB-CD1 3.73Å; W662-L668 HydrophobicContact CD2-CD1 4.35Å; W662-L668 HydrophobicContact CG-CD1 3.93Å; L668-L670 HydrophobicContact CD1-CD2 3.97Å; L668-L670 HydrophobicContact CD2-CD1 4.36Å; L668-L670 HydrophobicContact CD2-CD2 4.05Å; L668-L670 HydrophobicContact CD2-CG 4.19Å; L668-L670 HydrophobicContact CG-CD2 3.95Å; L668-L670 HydrophobicContact CG-CG 4.09Å
669	T	93.1	Very high	86.4	Confident	23 Å²	23	63.6 Å²	63.6	14%	0.141	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.6	173.9	-57.5	0	0	0	0	109.9	D667	D667-T669 PolarHBondContact O-N 3.13Å
670	L	93.4	Very high	86.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.1	178.4	-60	-177.8	0	0	0	109.6	F567 Y568 L569 Q570 V596 L642 C643 L648 L654 V657 L668	F567-L670 HydrophobicContact CD2-CD1 4.17Å; Y568-L670 PolarHBondContact O-N 3.15Å; L569-L670 WeakPolarHBondContact CA-O 3.42Å; L569-L670 HydrophobicContact CD2-CB 3.84Å; L569-L670 HydrophobicContact CD2-CD1 4.35Å; Q570-L670 PolarHBondContact N-O 3.5Å; V596-L670 HydrophobicContact CG1-CD1 4.27Å; L642-L670 CarbonylContact O-C 3.47Å; L642-L670 WeakPolarHBondContact O-CA 3.27Å; C643-L670 HydrophobicContact CB-CD2 4Å; L648-L670 HydrophobicContact CD1-CD2 3.67Å; L654-L670 HydrophobicContact CD2-CD1 3.79Å; V657-L670 HydrophobicContact CG1-CD2 4.09Å; L668-L670 HydrophobicContact CD1-CD2 3.97Å; L668-L670 HydrophobicContact CD2-CD1 4.36Å; L668-L670 HydrophobicContact CD2-CD2 4.05Å; L668-L670 HydrophobicContact CD2-CG 4.19Å; L668-L670 HydrophobicContact CG-CD2 3.95Å; L668-L670 HydrophobicContact CG-CG 4.09Å
671	H	91.5	Very high	85.8	Confident	44 Å²	44	63.6 Å²	63.6	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.8	173.9	-60.8	85.5	0	0	0	110	Q570 H572 L641 L642	Q570-H671 CarbonylContact O-C 3.59Å; Q570-H671 WeakPolarHBondContact O-CA 3.42Å; H572-H671 HydrophobicContact CB-CB 4.15Å; L641-H671 CarbonylContact C-O 3.51Å; L641-H671 WeakPolarHBondContact CA-O 3.44Å; L642-H671 HydrophobicContact CB-CB 4.38Å; L642-H671 PolarHBondContact N-O 2.86Å; L642-H671 PolarHBondContact O-N 2.63Å
672	Y	90.4	Very high	85.4	Confident	7 Å²	7	67.3 Å²	67.3	3%	0.027	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.6	174	61.9	-91.8	0	0	0	111.4	L569 Q570 P571 H572 V600 I604 E640	L569-Y672 HydrophobicContact CB-CD1 4.47Å; L569-Y672 HydrophobicContact CB-CE1 4.49Å; Q570-Y672 WeakPolarHBondContact O-CD1 3.17Å; Q570-Y672 WeakPolarHBondContact O-CE1 3.21Å; Q570-Y672 PolarHBondContact O-N 3Å; P571-Y672 HydrophobicContact CB-CE1 4.49Å; P571-Y672 HydrophobicContact CB-CE2 4.01Å; H572-Y672 WeakPolarHBondContact CB-O 3.31Å; H572-Y672 PolarHBondContact N-O 3.14Å; V600-Y672 HydrophobicContact CG1-CD1 4.27Å; V600-Y672 HydrophobicContact CG1-CD2 3.69Å; V600-Y672 HydrophobicContact CG1-CE2 4.4Å; V600-Y672 HydrophobicContact CG1-CG 3.64Å; V600-Y672 HydrophobicContact CG2-CD1 4.24Å; V600-Y672 HydrophobicContact CG2-CG 4.26Å; I604-Y672 HydrophobicContact CD1-CD1 4.34Å; I604-Y672 HydrophobicContact CD1-CE1 3.77Å; I604-Y672 HydrophobicContact CG2-CE1 4.49Å; I604-Y672 HydrophobicContact CG2-CE2 3.72Å; I604-Y672 WeakPolarHBondContact CG2-OH 3.39Å; E640-Y672 WeakPolarHBondContact O-CA 3.49Å
673	R	87.7	Confident	84.9	Confident	65 Å²	65	68.9 Å²	68.9	25%	0.245	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.3	166.9	68.1	-175.7	-176.4	-174.3	1.6	110.2	H572 E640 L642	H572-R673 HydrophobicContact CB-CB 3.97Å; E640-R673 HydrophobicContact CB-CG 4.01Å; E640-R673 PolarHBondContact N-O 3.46Å; E640-R673 PolarHBondContact O-N 3.06Å; E640-R673 IonicContact OE2-CZ 3.18Å; E640-R673 IonicContact OE2-NE 2.77Å; E640-R673 PolarHBondContact OE2-NE 3.36Å; E640-R673 IonicContact OE2-NH2 2.73Å; E640-R673 PolarHBondContact OE2-NH2 3.03Å; L642-R673 HydrophobicContact CD1-CG 3.91Å
674	Q	85.2	Confident	84.7	Confident	119 Å²	119	62.2 Å²	62.2	56%	0.556	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.9	167.3	-164.6	171.6	-8.1	0	0	109.4	K638 S676	K638-Q674 CarbonylContact O-C 3.56Å; K638-Q674 VanDerWaalsContact O-CA 3.28Å; K638-Q674 WeakPolarHBondContact O-CA 3.41Å; K638-Q674 WeakPolarHBondContact O-CG 3.4Å; Q674-S676 PolarHBondContact O-N 2.89Å
675	K	83.4	Confident	84.5	Confident	75 Å²	75	62.6 Å²	62.6	33%	0.326	39%	0.386	S	S	.	.			trans	-61.2	128.1	171.2	-78.8	177.2	168.4	179.7	0	108.7	E636 E637 K638 I639 E640 T677	E636-K675 WeakPolarHBondContact O-CE 3.41Å; E636-K675 PolarHBondContact O-NZ 3.2Å; E637-K675 WeakPolarHBondContact O-CD 3.4Å; K638-K675 PolarHBondContact O-N 2.88Å; I639-K675 VanDerWaalsContact O-CE 3.31Å; I639-K675 WeakPolarHBondContact O-CE 3.39Å; E640-K675 HydrophobicContact CB-CG 4.4Å; E640-K675 HydrophobicContact CG-CD 4.12Å; E640-K675 VanDerWaalsContact CG-CE 3.47Å; E640-K675 HydrophobicContact CG-CG 3.52Å; K675-T677 PolarHBondContact O-N 3.16Å
676	S	68.4	Low	84.6	Confident	115 Å²	115	60.9 Å²	60.9	80%	0.804	35%	0.346	S	S	*	.			trans	-69.4	109.7	169.9	49.7	0	0	0	0	107.9	Q674	Q674-S676 PolarHBondContact O-N 2.89Å
677	T	53.9	Low	84.5	Confident	210 Å²	210	63.3 Å²	63.3	100%	1.288	35%	0.345	S	S	*	.			trans	-64.5	0	168.9	45.3	0	0	0	0	112	K675	K675-T677 PolarHBondContact O-N 3.16Å

Retrieved 677 of 677 residues in 2802.8 ms (Link to these results)

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