A0A077Z0F7_TRITR Loading...

WD repeat-containing protein 48 homolog

AlphaFold DB , UniProt , Accession A0A077Z0F7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 664 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	34.9	Very low	34	Very low	217 Å²	217	146.1 Å²	146.1	100%	1.069	80%	0.804	S	S	*	*				0	114.2	0	-85.7	173.9	173.1	0	0	107.7	Y3	M1-Y3 PolarHBondContact O-N 3.38Å
2	N	29.8	Very low	36.3	Very low	161 Å²	161	139.2 Å²	139.2	86%	0.861	79%	0.792	S	S	*	*			trans	-71.6	109.3	174.1	-75.5	-18	0	0	0	108.2	V4	N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 3.26Å
3	Y	31.7	Very low	39.2	Very low	211 Å²	211	139.2 Å²	139.2	83%	0.827	78%	0.777	S	S	*	*			trans	-70.2	91.2	168.9	-79.3	-84.4	0	0	0	108	M1 H5	M1-Y3 PolarHBondContact O-N 3.38Å; Y3-H5 PolarHBondContact O-N 3.43Å; Y3-H5 VanDerWaalsContact O-N 3.15Å
4	V	32.2	Very low	42.9	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	77%	0.769	S	S	*	*			trans	-63	113.7	167.9	176.9	0	0	0	0	106.9	N2 K6	N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 3.26Å; V4-K6 PolarHBondContact O-N 3.49Å
5	H	31.6	Very low	46.4	Very low	154 Å²	154	132.1 Å²	132.1	71%	0.713	73%	0.725	S	S	*	*			trans	-52.7	100.3	171.8	-76.9	-76.3	0	0	0	109.6	Y3 N7	Y3-H5 PolarHBondContact O-N 3.43Å; Y3-H5 VanDerWaalsContact O-N 3.15Å; H5-N7 VanDerWaalsContact C-N 3.26Å; H5-N7 PolarHBondContact O-N 3.37Å
6	K	31.2	Very low	49.6	Very low	199 Å²	199	126.6 Å²	126.6	87%	0.865	69%	0.692	S	S	*	*			trans	-69.7	93.2	160	-84.3	-174.1	175.7	178.8	0	106.7	V4 A8	V4-K6 PolarHBondContact O-N 3.49Å; K6-A8 VanDerWaalsContact C-N 3.32Å; K6-A8 PolarHBondContact O-N 2.95Å
7	N	30.6	Very low	52.5	Low	141 Å²	141	119.2 Å²	119.2	75%	0.754	65%	0.652	S	S	*	*			trans	-58	103.8	156.2	-81.7	-11.6	0	0	0	106.5	H5 S9	H5-N7 VanDerWaalsContact C-N 3.26Å; H5-N7 PolarHBondContact O-N 3.37Å; N7-S9 PolarHBondContact O-N 3.08Å
8	A	37.3	Very low	55.1	Low	93 Å²	93	112.7 Å²	112.7	77%	0.769	62%	0.616	S	S	*	*			trans	-69	82.3	173	0	0	0	0	0	108.4	K6 G10	K6-A8 VanDerWaalsContact C-N 3.32Å; K6-A8 PolarHBondContact O-N 2.95Å; A8-G10 PolarHBondContact O-N 3.07Å
9	S	31.9	Very low	57.3	Low	120 Å²	120	106.7 Å²	106.7	84%	0.839	58%	0.584	S	S	*	*			trans	-79.7	46.9	175.7	62.9	0	0	0	0	112.1	N7	N7-S9 PolarHBondContact O-N 3.08Å
10	G	33.4	Very low	59.4	Low	49 Å²	49	102 Å²	102	51%	0.505	56%	0.558	S	S	.	*	S	Bend	trans	-85.9	168.2	152.4	0	0	0	0	0	108.8	A8 G12	A8-G10 PolarHBondContact O-N 3.07Å; G10-G12 PolarHBondContact O-N 3.18Å
11	P	49.8	Very low	61.3	Low	136 Å²	136	97.2 Å²	97.2	88%	0.883	53%	0.532	S	S	*	.	S	Bend	trans	-54.3	111.3	164.7	24.5	-30.9	0	0	0	106.5	K13	P11-K13 PolarHBondContact O-N 3.3Å
12	G	61.6	Low	64.2	Low	63 Å²	63	87.9 Å²	87.9	65%	0.649	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-50	129.7	-175	0	0	0	0	0	108.5	G10 K14	G10-G12 PolarHBondContact O-N 3.18Å; G12-K14 PolarHBondContact O-N 2.77Å; G12-K14 VanDerWaalsContact O-N 3.08Å
13	K	73	Confident	67.3	Low	139 Å²	139	84.8 Å²	84.8	60%	0.604	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-54.1	123.8	175.8	-70.2	-175	176.4	-168.9	0	107.1	P11 I15 E503	P11-K13 PolarHBondContact O-N 3.3Å; K13-I15 HydrophobicContact CB-CG1 4.33Å; K13-I15 PolarHBondContact O-N 3.17Å; K13-I15 VanDerWaalsContact O-N 3.13Å; K13-E503 IonicContact NZ-OE1 2.76Å
14	K	90.9	Very high	70.3	Confident	152 Å²	152	79.8 Å²	79.8	66%	0.661	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-64.5	116.4	171.1	-66.9	-171.7	177.2	-170.9	0	106.4	G12 P504	G12-K14 PolarHBondContact O-N 2.77Å; G12-K14 VanDerWaalsContact O-N 3.08Å; K14-P504 HydrophobicContact CB-CG 3.91Å; K14-P504 WeakPolarHBondContact O-CD 3.4Å
15	I	96.5	Very high	73.2	Confident	21 Å²	21	78 Å²	78	11%	0.108	44%	0.439	C	S	.	.			trans	-116	130.7	178.3	-64	173.1	0	0	0	107.2	K13 F501 C502 L509 V529 P531 W533	K13-I15 HydrophobicContact CB-CG1 4.33Å; K13-I15 PolarHBondContact O-N 3.17Å; K13-I15 VanDerWaalsContact O-N 3.13Å; I15-F501 HydrophobicContact CG2-CB 4.2Å; I15-F501 HydrophobicContact CG2-CD1 4.21Å; I15-C502 WeakPolarHBondContact CA-O 3.49Å; I15-L509 HydrophobicContact CD1-CD1 3.76Å; I15-L509 HydrophobicContact CG1-CD1 3.84Å; I15-L509 HydrophobicContact CG2-CD1 4.36Å; I15-V529 WeakPolarHBondContact CD1-O 3.22Å; I15-P531 HydrophobicContact CB-CB 4.13Å; I15-P531 HydrophobicContact CB-CG 4.08Å; I15-P531 HydrophobicContact CG2-CG 4.19Å; I15-W533 PolarHBondContact O-NE1 3.28Å
16	Q	97.7	Very high	76.2	Confident	43 Å²	43	71 Å²	71	20%	0.201	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.8	172.9	-63	-179.2	-52.3	0	0	109.5	T424 L425 D426 C502 P504	Q16-T424 HydrophobicContact CB-CG2 3.89Å; Q16-T424 HydrophobicContact CG-CG2 4.4Å; Q16-L425 WeakPolarHBondContact CA-O 3.32Å; Q16-D426 HydrophobicContact CG-CB 4.15Å; Q16-C502 PolarHBondContact N-O 3.42Å; Q16-C502 PolarHBondContact O-N 3.5Å; Q16-C502 VanDerWaalsContact O-N 3.1Å; Q16-P504 HydrophobicContact CG-CG 4.45Å
17	V	98.4	Very high	79.3	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.7	175.6	-177.6	0	0	0	0	107.9	L425 L459 L499 F501 W533 V534	V17-L425 HydrophobicContact CB-CB 4.43Å; V17-L425 PolarHBondContact N-O 2.82Å; V17-L425 PolarHBondContact O-N 3.38Å; V17-L459 HydrophobicContact CG1-CD2 4.38Å; V17-L499 HydrophobicContact CG1-CD1 3.49Å; V17-L499 VanDerWaalsContact CG1-CD1 3.49Å; V17-F501 HydrophobicContact CG1-CE1 4.46Å; V17-F501 HydrophobicContact CG2-CD1 3.99Å; V17-F501 HydrophobicContact CG2-CE1 3.8Å; V17-W533 HydrophobicContact CB-CH2 4.48Å; V17-W533 HydrophobicContact CG2-CH2 4.01Å; V17-W533 HydrophobicContact CG2-CZ2 3.91Å; V17-V534 HydrophobicContact CG2-CG2 3.88Å
18	S	98.3	Very high	82.5	Confident	1 Å²	1	62 Å²	62	1%	0.007	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	150.7	176.8	-55.6	0	0	0	0	111.2	I423 T424 I500	S18-I423 CarbonylContact C-O 3.59Å; S18-I423 WeakPolarHBondContact CA-O 3.38Å; S18-T424 WeakPolarHBondContact OG-CB 3.23Å; S18-T424 VanDerWaalsContact OG-CG2 3.3Å; S18-T424 WeakPolarHBondContact OG-CG2 3.49Å; S18-T424 PolarHBondContact OG-OG1 2.84Å; S18-I500 PolarHBondContact N-O 3.3Å; S18-I500 PolarHBondContact O-N 3.14Å
19	F	98.6	Very high	85.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.9	168.9	65.7	-79.6	0	0	0	111	I21 V381 A384 Q422 I423 L458 L462 T497 P498	F19-I21 HydrophobicContact CD2-CG1 4.1Å; F19-I21 HydrophobicContact CE2-CD1 4Å; F19-I21 HydrophobicContact CE2-CG1 3.72Å; F19-V381 HydrophobicContact CZ-CG1 4.17Å; F19-A384 HydrophobicContact CD2-CB 4.02Å; F19-A384 HydrophobicContact CE2-CB 3.73Å; F19-Q422 WeakPolarHBondContact O-CA 3.4Å; F19-I423 HydrophobicContact CD1-CB 4.05Å; F19-I423 HydrophobicContact CD1-CG2 4.38Å; F19-I423 HydrophobicContact CE1-CB 3.45Å; F19-I423 VanDerWaalsContact CE1-CB 3.45Å; F19-I423 HydrophobicContact CE1-CG1 4.27Å; F19-I423 HydrophobicContact CE1-CG2 3.45Å; F19-I423 VanDerWaalsContact CE1-CG2 3.45Å; F19-I423 HydrophobicContact CE2-CB 4.05Å; F19-I423 HydrophobicContact CE2-CG1 4.03Å; F19-I423 HydrophobicContact CZ-CB 3.46Å; F19-I423 VanDerWaalsContact CZ-CB 3.46Å; F19-I423 HydrophobicContact CZ-CG1 3.75Å; F19-I423 HydrophobicContact CZ-CG2 3.63Å; F19-I423 PolarHBondContact N-O 2.88Å; F19-I423 PolarHBondContact O-N 2.82Å; F19-L458 HydrophobicContact CE1-CD2 3.58Å; F19-L458 HydrophobicContact CE1-CG 4.38Å; F19-L458 HydrophobicContact CZ-CD1 4.25Å; F19-L458 HydrophobicContact CZ-CD2 3.68Å; F19-L458 HydrophobicContact CZ-CG 4.5Å; F19-L462 HydrophobicContact CB-CD2 4.04Å; F19-L462 HydrophobicContact CD1-CD1 3.87Å; F19-L462 HydrophobicContact CD1-CD2 4.21Å; F19-L462 HydrophobicContact CD2-CD2 4.33Å; F19-L462 HydrophobicContact CE1-CD1 4.26Å; F19-L462 HydrophobicContact CG-CD1 4.42Å; F19-L462 HydrophobicContact CG-CD2 3.93Å; F19-T497 HydrophobicContact CB-CG2 4.02Å; F19-T497 HydrophobicContact CD2-CG2 3.93Å; F19-T497 HydrophobicContact CG-CG2 4.39Å; F19-P498 WeakPolarHBondContact CA-O 3.28Å; F19-P498 VanDerWaalsContact CB-O 3.23Å; F19-P498 WeakPolarHBondContact CB-O 3.49Å
20	V	98.4	Very high	88.5	Confident	11 Å²	11	53.8 Å²	53.8	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.8	-177	-174.4	0	0	0	0	109.8	R22 M420 Q422 P498 I500	V20-R22 HydrophobicContact CG1-CG 4.4Å; V20-M420 HydrophobicContact CG1-CB 3.73Å; V20-M420 HydrophobicContact CG1-CE 4.24Å; V20-M420 HydrophobicContact CG1-CG 4.49Å; V20-M420 HydrophobicContact CG1-SD 4.04Å; V20-Q422 HydrophobicContact CG2-CB 4.27Å; V20-Q422 HydrophobicContact CG2-CG 4.18Å; V20-P498 HydrophobicContact CB-CG 4.34Å; V20-P498 PolarHBondContact N-O 2.94Å; V20-P498 WeakPolarHBondContact O-CD 3.32Å; V20-I500 HydrophobicContact CG2-CD1 4.31Å
21	I	98.6	Very high	91.5	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.5	176.1	-54.9	178.3	0	0	0	108.6	F19 W379 A384 L421 I423	F19-I21 HydrophobicContact CD2-CG1 4.1Å; F19-I21 HydrophobicContact CE2-CD1 4Å; F19-I21 HydrophobicContact CE2-CG1 3.72Å; I21-W379 HydrophobicContact CB-CE3 4.43Å; I21-W379 HydrophobicContact CG2-CE3 3.54Å; I21-W379 HydrophobicContact CG2-CZ3 3.81Å; I21-A384 HydrophobicContact CG1-CB 4.22Å; I21-L421 HydrophobicContact CB-CB 4.4Å; I21-L421 HydrophobicContact CB-CD2 4.49Å; I21-L421 HydrophobicContact CD1-CD2 3.91Å; I21-L421 HydrophobicContact CD1-CG 4.34Å; I21-L421 PolarHBondContact N-O 3.01Å; I21-I423 HydrophobicContact CD1-CG1 3.99Å; I21-I423 HydrophobicContact CG1-CG1 4.44Å
22	R	96.3	Very high	93.8	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.079	23%	0.229	C	C	.	.			trans	-159.3	168.9	-174.7	57.2	167.4	-76	-165.1	-5.4	112.5	V20 E24 E26 E71 M420 H496	V20-R22 HydrophobicContact CG1-CG 4.4Å; R22-E24 PolarHBondContact NH2-O 2.88Å; R22-E26 HydrophobicContact CB-CG 4.44Å; R22-E71 IonicContact CZ-OE1 3.74Å; R22-E71 IonicContact CZ-OE2 3.21Å; R22-E71 VanDerWaalsContact CZ-OE2 3.3Å; R22-E71 IonicContact NH1-OE1 3.58Å; R22-E71 PolarHBondContact NH1-OE1 3.12Å; R22-E71 IonicContact NH1-OE2 3.8Å; R22-E71 PolarHBondContact NH1-OE2 2.95Å; R22-E71 IonicContact NH2-OE1 3.7Å; R22-E71 PolarHBondContact NH2-OE1 3.32Å; R22-E71 IonicContact NH2-OE2 3Å; R22-E71 PolarHBondContact NH2-OE2 3.27Å; R22-M420 HydrophobicContact CB-SD 4.08Å; R22-H496 PolarHBondContact O-NE2 3.24Å; R22-H496 VanDerWaalsContact O-NE2 3.09Å
23	E	95	Very high	95.6	Very high	96 Å²	96	42.3 Å²	42.3	45%	0.449	20%	0.198	S	C	.	.			trans	-74.1	158.4	170.6	-59.4	-56.9	152.4	0	0	111.1	V25 E26	E23-V25 VanDerWaalsContact C-N 3.27Å; E23-V25 PolarHBondContact O-N 2.63Å; E23-E26 PolarHBondContact N-OE1 3.47Å; E23-E26 VanDerWaalsContact N-OE1 3.1Å
24	E	94.9	Very high	96.9	Very high	106 Å²	106	36.6 Å²	36.6	50%	0.495	17%	0.174	S	C	.	.	S	Bend	trans	-61.4	-39.6	178.9	-176	162.9	-147.1	0	0	111.2	R22 H496 R515	R22-E24 PolarHBondContact NH2-O 2.88Å; E24-H496 VanDerWaalsContact CA-CD2 3.42Å; E24-H496 WeakPolarHBondContact CA-CD2 3.26Å; E24-H496 HydrophobicContact CB-CB 4.36Å; E24-H496 HydrophobicContact CG-CB 4.06Å; E24-H496 PolarHBondContact N-NE2 3.37Å; E24-R515 IonicContact OE1-CZ 2.78Å; E24-R515 IonicContact OE1-NH1 3.64Å; E24-R515 PolarHBondContact OE1-NH1 3.38Å; E24-R515 IonicContact OE1-NH2 2.95Å; E24-R515 PolarHBondContact OE1-NH2 3.13Å
25	V	94.3	Very high	97.2	Very high	89 Å²	89	29.4 Å²	29.4	54%	0.539	14%	0.142	S	C	.	.			trans	-116.9	119.6	178.1	-174.7	0	0	0	0	109.2	E23 P27	E23-V25 VanDerWaalsContact C-N 3.27Å; E23-V25 PolarHBondContact O-N 2.63Å; V25-P27 WeakPolarHBondContact O-CD 3.43Å
26	E	93.1	Very high	97.3	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.033	14%	0.137	C	C	.	.			trans	-115.6	78.9	177.3	-70.3	-73.6	170.3	0	0	109.2	R22 E23 R28 R30 R55	R22-E26 HydrophobicContact CB-CG 4.44Å; E23-E26 PolarHBondContact N-OE1 3.47Å; E23-E26 VanDerWaalsContact N-OE1 3.1Å; E26-R28 PolarHBondContact O-N 2.96Å; E26-R28 VanDerWaalsContact O-N 3.15Å; E26-R30 IonicContact OE1-CZ 3.15Å; E26-R30 IonicContact OE1-NE 3.5Å; E26-R30 IonicContact OE1-NH2 3.74Å; E26-R30 PolarHBondContact OE1-NH2 3.19Å; E26-R30 IonicContact OE2-CZ 3.75Å; E26-R30 VanDerWaalsContact OE2-CZ 3.27Å; E26-R30 IonicContact OE2-NE 3.5Å; E26-R30 PolarHBondContact OE2-NE 2.76Å; E26-R30 IonicContact OE2-NH2 2.72Å; E26-R30 PolarHBondContact OE2-NH2 3.44Å; E26-R55 VanDerWaalsContact O-CZ 3.26Å; E26-R55 PolarHBondContact O-NE 2.81Å; E26-R55 PolarHBondContact O-NH2 2.89Å
27	P	96.1	Very high	97.4	Very high	42 Å²	42	28.4 Å²	28.4	27%	0.273	14%	0.138	S	C	.	.			trans	-72.9	-11.2	-167.7	30.2	-35.3	0	0	0	113.9	V25 R55 W57 Y66	V25-P27 WeakPolarHBondContact O-CD 3.43Å; P27-R55 WeakPolarHBondContact O-CD 3.37Å; P27-R55 PolarHBondContact O-NE 2.81Å; P27-W57 WeakPolarHBondContact O-CH2 3.37Å; P27-W57 WeakPolarHBondContact O-CZ3 3.39Å; P27-Y66 HydrophobicContact CB-CD1 3.76Å; P27-Y66 HydrophobicContact CB-CD2 3.93Å; P27-Y66 HydrophobicContact CB-CE1 3.87Å; P27-Y66 HydrophobicContact CB-CE2 4.04Å; P27-Y66 HydrophobicContact CB-CG 3.78Å; P27-Y66 WeakPolarHBondContact O-CD2 3.44Å
28	R	98	Very high	97.3	Very high	109 Å²	109	29.8 Å²	29.8	41%	0.411	14%	0.143	S	C	.	.	S	Bend	trans	-125.9	143.6	-174.2	-64.4	175.8	-175.7	-180	4.2	111.5	E26 R55 K350 A352	E26-R28 PolarHBondContact O-N 2.96Å; E26-R28 VanDerWaalsContact O-N 3.15Å; R28-R55 VanDerWaalsContact C-NE 3.28Å; R28-R55 PolarHBondContact O-NH2 3.1Å; R28-K350 VanDerWaalsContact CD-O 3.22Å; R28-K350 WeakPolarHBondContact CD-O 3.48Å; R28-K350 WeakPolarHBondContact CG-O 3.49Å; R28-A352 HydrophobicContact CB-CB 3.87Å
29	H	98.4	Very high	97.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	14%	0.144	C	C	.	.			trans	-60.9	141.3	175.4	-76.1	-73.6	0	0	0	111.6	I33 S47 G49 D51 I53 R55 W57 S315 G351 A352	H29-I33 HydrophobicContact CB-CD1 3.97Å; H29-I33 HydrophobicContact CB-CG1 4.02Å; H29-I33 WeakPolarHBondContact CD2-CD1 3.29Å; H29-S47 PolarHBondContact CE1-O 3.18Å; H29-S47 PolarHBondContact NE2-O 3.25Å; H29-S47 PolarHBondContact NE2-OG 3.34Å; H29-G49 PolarHBondContact CE1-N 3.48Å; H29-G49 WeakPolarHBondContact ND1-CA 3.29Å; H29-D51 VanDerWaalsContact CA-OD2 3.23Å; H29-D51 WeakPolarHBondContact CA-OD2 3.39Å; H29-D51 IonicContact CE1-OD1 3.87Å; H29-D51 IonicContact ND1-OD1 3.92Å; H29-D51 PolarHBondContact ND1-OD1 2.81Å; H29-D51 IonicContact ND1-OD2 2.75Å; H29-I53 PolarHBondContact CE1-O 2.66Å; H29-R55 VanDerWaalsContact CA-NH1 3.34Å; H29-R55 PolarHBondContact CE1-NH1 2.87Å; H29-R55 VanDerWaalsContact CG-NH1 3.28Å; H29-R55 PolarHBondContact ND1-NH1 2.58Å; H29-W57 AromaticContact CD2-CZ2 3.9Å; H29-S315 WeakPolarHBondContact O-CB 3.33Å; H29-G351 CarbonylContact O-C 3.53Å; H29-A352 PolarHBondContact O-N 3.4Å
30	R	97.4	Very high	97.1	Very high	38 Å²	38	34.1 Å²	34.1	14%	0.143	17%	0.171	C	C	.	.	S	Bend	trans	-103.2	2.9	175.8	-73.1	-177.4	178.3	-89.1	4.6	114.5	E26 D51 A352 P353 S354	E26-R30 IonicContact OE1-CZ 3.15Å; E26-R30 IonicContact OE1-NE 3.5Å; E26-R30 IonicContact OE1-NH2 3.74Å; E26-R30 PolarHBondContact OE1-NH2 3.19Å; E26-R30 IonicContact OE2-CZ 3.75Å; E26-R30 VanDerWaalsContact OE2-CZ 3.27Å; E26-R30 IonicContact OE2-NE 3.5Å; E26-R30 PolarHBondContact OE2-NE 2.76Å; E26-R30 IonicContact OE2-NH2 2.72Å; E26-R30 PolarHBondContact OE2-NH2 3.44Å; R30-D51 HydrophobicContact CB-CB 4.19Å; R30-D51 PolarHBondContact N-OD2 2.91Å; R30-A352 WeakPolarHBondContact CA-O 3.34Å; R30-A352 HydrophobicContact CG-CB 3.78Å; R30-P353 PolarHBondContact NH1-O 3.43Å; R30-S354 VanDerWaalsContact O-CA 3.29Å; R30-S354 WeakPolarHBondContact O-CA 3.38Å; R30-S354 WeakPolarHBondContact O-CB 3.46Å; R30-S354 PolarHBondContact O-OG 3.08Å
31	S	97.2	Very high	96.9	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.049	20%	0.198	C	C	.	.	S	Bend	trans	-157.2	177.6	-177.6	-166.3	0	0	0	0	109.4	R50 S315	S31-R50 WeakPolarHBondContact OG-CB 3.22Å; S31-S315 WeakPolarHBondContact O-CA 3.37Å
32	G	98.3	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.			trans	-50.8	151.2	178.8	0	0	0	0	0	113.3	R50 T312 T313 E314	G32-R50 WeakPolarHBondContact O-CB 3.43Å; G32-R50 VanDerWaalsContact O-CG 3.24Å; G32-R50 WeakPolarHBondContact O-CG 3.2Å; G32-R50 PolarHBondContact O-N 3.09Å; G32-T312 VanDerWaalsContact CA-O 3.28Å; G32-T312 WeakPolarHBondContact CA-O 3.32Å; G32-T313 VanDerWaalsContact CA-C 3.48Å; G32-T313 VanDerWaalsContact CA-O 3.28Å; G32-T313 WeakPolarHBondContact CA-O 3.46Å; G32-T313 PolarHBondContact N-O 2.94Å; G32-E314 WeakPolarHBondContact CA-O 3.48Å
33	I	98.8	Very high	96.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.1	-175.8	-61.8	159.6	0	0	0	108.3	H29 L36 A48 L297 S311 T312 L317	H29-I33 HydrophobicContact CB-CD1 3.97Å; H29-I33 HydrophobicContact CB-CG1 4.02Å; H29-I33 WeakPolarHBondContact CD2-CD1 3.29Å; I33-L36 HydrophobicContact CG2-CD2 4.01Å; I33-A48 CarbonylContact C-O 3.54Å; I33-A48 WeakPolarHBondContact CA-O 2.97Å; I33-A48 WeakPolarHBondContact CG2-O 3.09Å; I33-L297 WeakPolarHBondContact O-CB 3.32Å; I33-L297 WeakPolarHBondContact O-CD1 3.29Å; I33-S311 VanDerWaalsContact O-CB 3.25Å; I33-S311 WeakPolarHBondContact O-CB 3.15Å; I33-S311 PolarHBondContact O-OG 2.95Å; I33-T312 PolarHBondContact N-O 2.92Å; I33-T312 VanDerWaalsContact N-O 3.11Å; I33-L317 HydrophobicContact CB-CD2 4.31Å; I33-L317 HydrophobicContact CD1-CD1 3.96Å; I33-L317 HydrophobicContact CD1-CD2 3.47Å; I33-L317 VanDerWaalsContact CD1-CD2 3.47Å; I33-L317 HydrophobicContact CD1-CG 3.46Å; I33-L317 VanDerWaalsContact CD1-CG 3.46Å; I33-L317 HydrophobicContact CG2-CD2 4.12Å
34	N	98.8	Very high	96.8	Very high	19 Å²	19	40.8 Å²	40.8	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-26.4	-170	-63.4	-48.6	0	0	0	113.6	A48 R50 V77 N78	N34-A48 PolarHBondContact N-O 2.89Å; N34-R50 VanDerWaalsContact ND2-CG 3.35Å; N34-R50 WeakPolarHBondContact ND2-CG 3.48Å; N34-R50 PolarHBondContact OD1-NE 3.3Å; N34-R50 PolarHBondContact OD1-NH2 3.38Å; N34-V77 WeakPolarHBondContact CB-O 3.28Å; N34-V77 PolarHBondContact ND2-O 3.28Å; N34-N78 WeakPolarHBondContact CB-O 3.34Å
35	S	98.7	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.4	-176.8	-160.6	0	0	0	0	112.7	A48 D79 L80 K298	S35-A48 PolarHBondContact O-N 2.91Å; S35-D79 WeakPolarHBondContact CB-OD1 3.49Å; S35-D79 PolarHBondContact OG-OD1 3.03Å; S35-L80 PolarHBondContact OG-N 2.7Å; S35-K298 WeakPolarHBondContact OG-CE 3.29Å; S35-K298 PolarHBondContact OG-NZ 3.02Å
36	L	98.8	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.7	-174.3	-63.7	172.7	0	0	0	109.2	I33 L45 Y46 K298 L300 W309 L317	I33-L36 HydrophobicContact CG2-CD2 4.01Å; L36-L45 HydrophobicContact CD2-CD1 4.45Å; L36-Y46 CarbonylContact C-O 3.6Å; L36-Y46 VanDerWaalsContact CA-O 3.3Å; L36-Y46 WeakPolarHBondContact CA-O 3.47Å; L36-K298 HydrophobicContact CB-CG 4.43Å; L36-L300 HydrophobicContact CB-CB 4Å; L36-L300 HydrophobicContact CB-CD2 3.81Å; L36-L300 HydrophobicContact CB-CG 4.5Å; L36-L300 HydrophobicContact CD1-CB 4.4Å; L36-W309 HydrophobicContact CD1-CB 4.02Å; L36-L317 HydrophobicContact CD1-CD2 4.23Å; L36-L317 HydrophobicContact CD2-CD1 4.15Å; L36-L317 HydrophobicContact CD2-CD2 3.72Å
37	Q	98.3	Very high	97.4	Very high	44 Å²	44	31.1 Å²	31.1	21%	0.206	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.3	170.2	-70.5	-67	-69.5	0	0	109.6	L45 Y46 L80 L82	Q37-L45 CarbonylContact O-C 3.55Å; Q37-Y46 PolarHBondContact N-O 2.8Å; Q37-Y46 PolarHBondContact O-N 2.97Å; Q37-L80 HydrophobicContact CG-CB 3.82Å; Q37-L80 WeakPolarHBondContact CG-O 3.12Å; Q37-L82 HydrophobicContact CB-CD1 3.96Å; Q37-L82 HydrophobicContact CB-CG 3.96Å; Q37-L82 HydrophobicContact CG-CG 4.49Å
38	F	98	Very high	97.5	Very high	30 Å²	30	29.1 Å²	29.1	13%	0.132	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.4	178.8	-175.1	-104.5	0	0	0	110.4	P40 R44 L45 P59 L300 V302	F38-P40 HydrophobicContact CD1-CB 4.25Å; F38-P40 HydrophobicContact CE1-CB 3.96Å; F38-P40 WeakPolarHBondContact O-CD 3.44Å; F38-R44 CarbonylContact C-O 3.58Å; F38-R44 WeakPolarHBondContact CA-O 3.24Å; F38-R44 WeakPolarHBondContact CD2-O 3.41Å; F38-L45 HydrophobicContact CB-CD1 4.36Å; F38-L45 HydrophobicContact CD2-CB 4.02Å; F38-L45 HydrophobicContact CD2-CD1 4.35Å; F38-P59 HydrophobicContact CE2-CG 4.43Å; F38-L300 HydrophobicContact CB-CD2 3.79Å; F38-V302 HydrophobicContact CB-CG1 3.84Å; F38-V302 HydrophobicContact CD1-CB 4.44Å; F38-V302 HydrophobicContact CD1-CG1 4.08Å; F38-V302 HydrophobicContact CG-CG1 4.03Å
39	D	97.2	Very high	97.6	Very high	5 Å²	5	24 Å²	24	3%	0.027	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	105.2	169.8	177.4	0.8	0	0	0	108.8	S41 M42 Q43 R44 Y46 L82 H104	D39-S41 VanDerWaalsContact C-N 3.27Å; D39-S41 PolarHBondContact O-N 2.85Å; D39-S41 WeakPolarHBondContact OD1-CB 3.4Å; D39-S41 PolarHBondContact OD1-N 2.86Å; D39-S41 PolarHBondContact OD1-OG 3.28Å; D39-S41 PolarHBondContact OD2-OG 3.06Å; D39-M42 PolarHBondContact OD1-N 3.34Å; D39-M42 WeakPolarHBondContact OD2-CB 3.38Å; D39-M42 WeakPolarHBondContact OD2-CG 3.1Å; D39-Q43 VanDerWaalsContact O-CA 3.3Å; D39-Q43 WeakPolarHBondContact O-CA 3.14Å; D39-Q43 PolarHBondContact O-N 2.91Å; D39-R44 HydrophobicContact CB-CB 4.39Å; D39-R44 PolarHBondContact N-O 3.23Å; D39-R44 PolarHBondContact O-N 2.91Å; D39-Y46 HydrophobicContact CB-CE2 4.07Å; D39-L82 HydrophobicContact CB-CD1 3.92Å; D39-H104 IonicContact OD2-CE1 3.69Å
40	P	94.8	Very high	97.6	Very high	88 Å²	88	26.1 Å²	26.1	57%	0.571	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.3	-179.6	28.6	-34.9	0	0	0	113.1	F38 Q43	F38-P40 HydrophobicContact CD1-CB 4.25Å; F38-P40 HydrophobicContact CE1-CB 3.96Å; F38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-Q43 PolarHBondContact O-NE2 2.8Å
41	S	94.2	Very high	97.6	Very high	89 Å²	89	24.3 Å²	24.3	62%	0.622	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-41	-178.7	72.4	0	0	0	0	111.7	D39	D39-S41 VanDerWaalsContact C-N 3.27Å; D39-S41 PolarHBondContact O-N 2.85Å; D39-S41 WeakPolarHBondContact OD1-CB 3.4Å; D39-S41 PolarHBondContact OD1-N 2.86Å; D39-S41 PolarHBondContact OD1-OG 3.28Å; D39-S41 PolarHBondContact OD2-OG 3.06Å
42	M	94.8	Very high	97.6	Very high	79 Å²	79	24.7 Å²	24.7	39%	0.389	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-3.3	178.5	-66.1	-67	-68.9	0	0	113	D39 R44	D39-M42 PolarHBondContact OD1-N 3.34Å; D39-M42 WeakPolarHBondContact OD2-CB 3.38Å; D39-M42 WeakPolarHBondContact OD2-CG 3.1Å; M42-R44 VanDerWaalsContact C-N 3.28Å; M42-R44 HydrophobicContact CB-CB 4.39Å; M42-R44 HydrophobicContact CB-CG 3.9Å; M42-R44 PolarHBondContact O-N 3.06Å
43	Q	95.3	Very high	97.6	Very high	61 Å²	61	24.8 Å²	24.8	29%	0.285	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	45.9	-171.8	-64.9	-70.9	-59.1	0	0	111.8	D39 P40 N58 R60	D39-Q43 VanDerWaalsContact O-CA 3.3Å; D39-Q43 WeakPolarHBondContact O-CA 3.14Å; D39-Q43 PolarHBondContact O-N 2.91Å; P40-Q43 PolarHBondContact O-NE2 2.8Å; Q43-N58 WeakPolarHBondContact O-CA 3.48Å; Q43-N58 PolarHBondContact O-OD1 3.37Å; Q43-R60 HydrophobicContact CB-CG 4.26Å; Q43-R60 HydrophobicContact CG-CG 4.37Å
44	R	97.1	Very high	97.6	Very high	41 Å²	41	24.9 Å²	24.9	16%	0.155	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.3	-176.9	-72.8	-176.8	-179.4	-161.5	2.5	112.1	F38 D39 M42 Y46 I56 W57 A103 H104	F38-R44 CarbonylContact C-O 3.58Å; F38-R44 WeakPolarHBondContact CA-O 3.24Å; F38-R44 WeakPolarHBondContact CD2-O 3.41Å; D39-R44 HydrophobicContact CB-CB 4.39Å; D39-R44 PolarHBondContact N-O 3.23Å; D39-R44 PolarHBondContact O-N 2.91Å; M42-R44 VanDerWaalsContact C-N 3.28Å; M42-R44 HydrophobicContact CB-CB 4.39Å; M42-R44 HydrophobicContact CB-CG 3.9Å; M42-R44 PolarHBondContact O-N 3.06Å; R44-Y46 HydrophobicContact CB-CE2 3.82Å; R44-Y46 WeakPolarHBondContact CD-OH 3.4Å; R44-I56 HydrophobicContact CB-CG2 4.26Å; R44-I56 HydrophobicContact CG-CG2 4.13Å; R44-W57 CarbonylContact C-O 3.57Å; R44-W57 VanDerWaalsContact CA-O 3.24Å; R44-W57 WeakPolarHBondContact CA-O 3.42Å; R44-A103 PolarHBondContact NH1-O 3.5Å; R44-H104 PolarHBondContact NH1-O 2.93Å
45	L	98.3	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.2	166.5	-179.2	71.6	0	0	0	109.1	L36 Q37 F38 I56 W57 L300 W309 L317 I349	L36-L45 HydrophobicContact CD2-CD1 4.45Å; Q37-L45 CarbonylContact O-C 3.55Å; F38-L45 HydrophobicContact CB-CD1 4.36Å; F38-L45 HydrophobicContact CD2-CB 4.02Å; F38-L45 HydrophobicContact CD2-CD1 4.35Å; L45-I56 CarbonylContact O-C 3.59Å; L45-I56 WeakPolarHBondContact O-CA 3.44Å; L45-W57 HydrophobicContact CB-CB 4.19Å; L45-W57 PolarHBondContact N-O 2.69Å; L45-W57 VanDerWaalsContact O-CD1 3.31Å; L45-W57 PolarHBondContact O-N 2.88Å; L45-L300 HydrophobicContact CD1-CD2 3.82Å; L45-W309 HydrophobicContact CD1-CD2 4.43Å; L45-W309 HydrophobicContact CD1-CG 4.17Å; L45-W309 HydrophobicContact CD2-CD2 3.75Å; L45-W309 HydrophobicContact CD2-CE3 3.86Å; L45-W309 HydrophobicContact CD2-CG 4.33Å; L45-W309 HydrophobicContact CD2-CH2 4.18Å; L45-W309 HydrophobicContact CD2-CZ2 4.07Å; L45-W309 HydrophobicContact CD2-CZ3 4.08Å; L45-L317 HydrophobicContact CD2-CD1 4.16Å; L45-I349 HydrophobicContact CD2-CD1 4.42Å
46	Y	98.7	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.5	172.7	-57.8	-92.7	0	0	0	108.8	L36 Q37 D39 R44 R55 I56 M70 L82 L89 A103	L36-Y46 CarbonylContact C-O 3.6Å; L36-Y46 VanDerWaalsContact CA-O 3.3Å; L36-Y46 WeakPolarHBondContact CA-O 3.47Å; Q37-Y46 PolarHBondContact N-O 2.8Å; Q37-Y46 PolarHBondContact O-N 2.97Å; D39-Y46 HydrophobicContact CB-CE2 4.07Å; R44-Y46 HydrophobicContact CB-CE2 3.82Å; R44-Y46 WeakPolarHBondContact CD-OH 3.4Å; Y46-R55 CarbonylContact C-O 3.54Å; Y46-R55 VanDerWaalsContact CA-O 3.29Å; Y46-R55 WeakPolarHBondContact CA-O 3.25Å; Y46-I56 HydrophobicContact CD1-CD1 4.49Å; Y46-I56 HydrophobicContact CD1-CG1 3.87Å; Y46-I56 HydrophobicContact CD1-CG2 4.35Å; Y46-I56 HydrophobicContact CE1-CB 4.46Å; Y46-I56 HydrophobicContact CE1-CD1 4.01Å; Y46-I56 HydrophobicContact CE1-CG1 3.84Å; Y46-I56 HydrophobicContact CE1-CG2 3.97Å; Y46-M70 HydrophobicContact CD1-SD 4.47Å; Y46-L82 HydrophobicContact CD2-CD1 4.1Å; Y46-L82 HydrophobicContact CD2-CD2 4.02Å; Y46-L82 HydrophobicContact CD2-CG 4.4Å; Y46-L82 HydrophobicContact CE2-CD1 4.09Å; Y46-L82 HydrophobicContact CE2-CD2 3.78Å; Y46-L82 HydrophobicContact CE2-CG 4.47Å; Y46-L89 HydrophobicContact CD1-CD1 4.46Å; Y46-L89 HydrophobicContact CD1-CD2 4.16Å; Y46-L89 HydrophobicContact CG-CD1 4.18Å; Y46-A103 HydrophobicContact CE1-CB 4.16Å; Y46-A103 PolarHBondContact OH-O 2.88Å
47	S	98.8	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.8	-179.1	57.7	0	0	0	0	112.2	H29 I54 R55 W57	H29-S47 PolarHBondContact CE1-O 3.18Å; H29-S47 PolarHBondContact NE2-O 3.25Å; H29-S47 PolarHBondContact NE2-OG 3.34Å; S47-I54 CarbonylContact O-C 3.57Å; S47-I54 VanDerWaalsContact O-CA 3.23Å; S47-I54 WeakPolarHBondContact O-CA 3.42Å; S47-R55 PolarHBondContact N-O 3.36Å; S47-R55 PolarHBondContact O-N 2.81Å; S47-W57 PolarHBondContact OG-NE1 2.89Å
48	A	98.7	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.7	-178.5	0	0	0	0	0	111.5	I33 N34 S35 V77 L80	I33-A48 CarbonylContact C-O 3.54Å; I33-A48 WeakPolarHBondContact CA-O 2.97Å; I33-A48 WeakPolarHBondContact CG2-O 3.09Å; N34-A48 PolarHBondContact N-O 2.89Å; S35-A48 PolarHBondContact O-N 2.91Å; A48-V77 HydrophobicContact CB-CB 3.65Å; A48-V77 HydrophobicContact CB-CG1 3.49Å; A48-V77 VanDerWaalsContact CB-CG1 3.49Å; A48-L80 HydrophobicContact CB-CD1 3.41Å; A48-L80 VanDerWaalsContact CB-CD1 3.41Å; A48-L80 HydrophobicContact CB-CD2 4.12Å; A48-L80 HydrophobicContact CB-CG 3.47Å; A48-L80 VanDerWaalsContact CB-CG 3.47Å
49	G	98.4	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	152.3	-177.2	0	0	0	0	0	114.4	H29 D51 S52 I53 V77	H29-G49 PolarHBondContact CE1-N 3.48Å; H29-G49 WeakPolarHBondContact ND1-CA 3.29Å; G49-D51 VanDerWaalsContact CA-OD1 3.31Å; G49-D51 WeakPolarHBondContact CA-OD1 3.22Å; G49-D51 PolarHBondContact O-N 2.79Å; G49-S52 PolarHBondContact O-N 2.89Å; G49-I53 PolarHBondContact N-O 3.17Å; G49-V77 PolarHBondContact O-N 2.66Å; G49-V77 VanDerWaalsContact O-N 3.12Å
50	R	98.5	Very high	97.1	Very high	48 Å²	48	32.9 Å²	32.9	18%	0.181	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.2	160.5	-70.7	-176.9	-177.5	-174.8	0.9	112.6	S31 G32 N34 S52 W76 T418	S31-R50 WeakPolarHBondContact OG-CB 3.22Å; G32-R50 WeakPolarHBondContact O-CB 3.43Å; G32-R50 VanDerWaalsContact O-CG 3.24Å; G32-R50 WeakPolarHBondContact O-CG 3.2Å; G32-R50 PolarHBondContact O-N 3.09Å; N34-R50 VanDerWaalsContact ND2-CG 3.35Å; N34-R50 WeakPolarHBondContact ND2-CG 3.48Å; N34-R50 PolarHBondContact OD1-NE 3.3Å; N34-R50 PolarHBondContact OD1-NH2 3.38Å; R50-S52 PolarHBondContact O-N 2.93Å; R50-W76 HydrophobicContact CB-CD2 4Å; R50-W76 HydrophobicContact CB-CG 3.82Å; R50-W76 HydrophobicContact CG-CB 4.26Å; R50-W76 HydrophobicContact CG-CD2 3.62Å; R50-W76 HydrophobicContact CG-CE3 3.99Å; R50-W76 HydrophobicContact CG-CG 3.74Å; R50-W76 PolarHBondContact O-NE1 2.93Å; R50-T418 WeakPolarHBondContact O-CA 3.48Å
51	D	97.9	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	17.6	169	65.1	-14.6	0	0	0	113.4	H29 R30 G49 I53 R55 T418 M420	H29-D51 VanDerWaalsContact CA-OD2 3.23Å; H29-D51 WeakPolarHBondContact CA-OD2 3.39Å; H29-D51 IonicContact CE1-OD1 3.87Å; H29-D51 IonicContact ND1-OD1 3.92Å; H29-D51 PolarHBondContact ND1-OD1 2.81Å; H29-D51 IonicContact ND1-OD2 2.75Å; R30-D51 HydrophobicContact CB-CB 4.19Å; R30-D51 PolarHBondContact N-OD2 2.91Å; G49-D51 VanDerWaalsContact CA-OD1 3.31Å; G49-D51 WeakPolarHBondContact CA-OD1 3.22Å; G49-D51 PolarHBondContact O-N 2.79Å; D51-I53 PolarHBondContact O-N 3.3Å; D51-R55 IonicContact OD1-NH1 2.95Å; D51-R55 PolarHBondContact OD1-NH1 2.77Å; D51-R55 IonicContact OD2-CZ 3.67Å; D51-R55 IonicContact OD2-NH1 3.48Å; D51-R55 PolarHBondContact OD2-NH1 2.81Å; D51-R55 IonicContact OD2-NH2 3.25Å; D51-R55 PolarHBondContact OD2-NH2 3.08Å; D51-T418 VanDerWaalsContact CA-O 3.29Å; D51-T418 WeakPolarHBondContact CA-O 3.39Å; D51-T418 VanDerWaalsContact CB-O 3.24Å; D51-T418 WeakPolarHBondContact CB-O 3.35Å; D51-M420 HydrophobicContact CB-CE 4.37Å; D51-M420 WeakPolarHBondContact O-CE 3.31Å
52	S	97.1	Very high	96.4	Very high	15 Å²	15	33.3 Å²	33.3	11%	0.105	17%	0.17	C	C	.	.	S	Bend	trans	63.7	8.9	-179.9	85.8	0	0	0	0	116.2	G49 R50 H73 D75	G49-S52 PolarHBondContact O-N 2.89Å; R50-S52 PolarHBondContact O-N 2.93Å; S52-H73 WeakPolarHBondContact O-CB 3.45Å; S52-H73 PolarHBondContact OG-O 3.23Å; S52-D75 VanDerWaalsContact CA-O 3.32Å; S52-D75 WeakPolarHBondContact CA-O 3.38Å; S52-D75 WeakPolarHBondContact CB-O 3.43Å
53	I	97.9	Very high	96.2	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	20%	0.196	C	C	.	.			trans	-112.5	140.4	-175.9	-62.6	170	0	0	0	109.6	H29 G49 D51 R55 E71 M420	H29-I53 PolarHBondContact CE1-O 2.66Å; G49-I53 PolarHBondContact N-O 3.17Å; D51-I53 PolarHBondContact O-N 3.3Å; I53-R55 HydrophobicContact CG2-CG 4.01Å; I53-E71 HydrophobicContact CD1-CG 4.32Å; I53-E71 HydrophobicContact CG1-CG 4.12Å; I53-E71 HydrophobicContact CG2-CG 4.01Å; I53-M420 HydrophobicContact CD1-CE 4.48Å
54	I	98.6	Very high	96.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.3	166.1	-58.3	161.9	0	0	0	107.7	S47 S69 M70 V77 L80 L89 W101	S47-I54 CarbonylContact O-C 3.57Å; S47-I54 VanDerWaalsContact O-CA 3.23Å; S47-I54 WeakPolarHBondContact O-CA 3.42Å; I54-S69 CarbonylContact O-C 3.6Å; I54-S69 WeakPolarHBondContact O-CA 3.37Å; I54-M70 HydrophobicContact CB-CB 4.17Å; I54-M70 HydrophobicContact CB-SD 4.46Å; I54-M70 HydrophobicContact CG2-SD 4.02Å; I54-M70 PolarHBondContact N-O 3.09Å; I54-M70 PolarHBondContact O-N 2.99Å; I54-V77 HydrophobicContact CD1-CG1 4.2Å; I54-V77 HydrophobicContact CG1-CB 4.46Å; I54-V77 HydrophobicContact CG1-CG1 4.03Å; I54-V77 HydrophobicContact CG1-CG2 4.12Å; I54-L80 HydrophobicContact CD1-CD2 3.7Å; I54-L80 HydrophobicContact CG1-CD2 4.09Å; I54-L80 HydrophobicContact CG2-CD1 4.12Å; I54-L89 HydrophobicContact CD1-CD2 4.2Å; I54-L89 HydrophobicContact CG2-CD2 3.91Å; I54-W101 HydrophobicContact CD1-CZ2 3.89Å
55	R	98.2	Very high	96	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.5	177.4	-67.9	-174.5	174.6	73.6	-0.8	111.7	E26 P27 R28 H29 Y46 S47 D51 I53 W57	E26-R55 VanDerWaalsContact O-CZ 3.26Å; E26-R55 PolarHBondContact O-NE 2.81Å; E26-R55 PolarHBondContact O-NH2 2.89Å; P27-R55 WeakPolarHBondContact O-CD 3.37Å; P27-R55 PolarHBondContact O-NE 2.81Å; R28-R55 VanDerWaalsContact C-NE 3.28Å; R28-R55 PolarHBondContact O-NH2 3.1Å; H29-R55 VanDerWaalsContact CA-NH1 3.34Å; H29-R55 PolarHBondContact CE1-NH1 2.87Å; H29-R55 VanDerWaalsContact CG-NH1 3.28Å; H29-R55 PolarHBondContact ND1-NH1 2.58Å; Y46-R55 CarbonylContact C-O 3.54Å; Y46-R55 VanDerWaalsContact CA-O 3.29Å; Y46-R55 WeakPolarHBondContact CA-O 3.25Å; S47-R55 PolarHBondContact N-O 3.36Å; S47-R55 PolarHBondContact O-N 2.81Å; D51-R55 IonicContact OD1-NH1 2.95Å; D51-R55 PolarHBondContact OD1-NH1 2.77Å; D51-R55 IonicContact OD2-CZ 3.67Å; D51-R55 IonicContact OD2-NH1 3.48Å; D51-R55 PolarHBondContact OD2-NH1 2.81Å; D51-R55 IonicContact OD2-NH2 3.25Å; D51-R55 PolarHBondContact OD2-NH2 3.08Å; I53-R55 HydrophobicContact CG2-CG 4.01Å; R55-W57 HydrophobicContact CB-CH2 4.37Å; R55-W57 HydrophobicContact CB-CZ2 3.53Å; R55-W57 VanDerWaalsContact CD-CZ2 3.47Å; R55-W57 HydrophobicContact CG-CZ2 4.12Å
56	I	98	Very high	96	Very high	6 Å²	6	44 Å²	44	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.6	177.5	-47.3	177.5	0	0	0	107.4	R44 L45 Y46 V67 G68 M70	R44-I56 HydrophobicContact CB-CG2 4.26Å; R44-I56 HydrophobicContact CG-CG2 4.13Å; L45-I56 CarbonylContact O-C 3.59Å; L45-I56 WeakPolarHBondContact O-CA 3.44Å; Y46-I56 HydrophobicContact CD1-CD1 4.49Å; Y46-I56 HydrophobicContact CD1-CG1 3.87Å; Y46-I56 HydrophobicContact CD1-CG2 4.35Å; Y46-I56 HydrophobicContact CE1-CB 4.46Å; Y46-I56 HydrophobicContact CE1-CD1 4.01Å; Y46-I56 HydrophobicContact CE1-CG1 3.84Å; Y46-I56 HydrophobicContact CE1-CG2 3.97Å; I56-V67 HydrophobicContact CB-CB 4.15Å; I56-V67 HydrophobicContact CG2-CB 4Å; I56-V67 HydrophobicContact CG2-CG1 4.17Å; I56-V67 WeakPolarHBondContact O-CB 3.37Å; I56-V67 PolarHBondContact O-N 3.42Å; I56-G68 PolarHBondContact N-O 3.27Å; I56-G68 PolarHBondContact O-N 2.92Å; I56-M70 HydrophobicContact CD1-CG 4.1Å; I56-M70 HydrophobicContact CD1-SD 3.93Å; I56-M70 HydrophobicContact CG1-CG 4.32Å; I56-M70 HydrophobicContact CG1-SD 4.07Å
57	W	97.9	Very high	95.9	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.4	178.4	-39.6	89.3	0	0	0	110.6	P27 H29 R44 L45 S47 R55 P65 Y66 I349	P27-W57 WeakPolarHBondContact O-CH2 3.37Å; P27-W57 WeakPolarHBondContact O-CZ3 3.39Å; H29-W57 AromaticContact CD2-CZ2 3.9Å; R44-W57 CarbonylContact C-O 3.57Å; R44-W57 VanDerWaalsContact CA-O 3.24Å; R44-W57 WeakPolarHBondContact CA-O 3.42Å; L45-W57 HydrophobicContact CB-CB 4.19Å; L45-W57 PolarHBondContact N-O 2.69Å; L45-W57 VanDerWaalsContact O-CD1 3.31Å; L45-W57 PolarHBondContact O-N 2.88Å; S47-W57 PolarHBondContact OG-NE1 2.89Å; R55-W57 HydrophobicContact CB-CH2 4.37Å; R55-W57 HydrophobicContact CB-CZ2 3.53Å; R55-W57 VanDerWaalsContact CD-CZ2 3.47Å; R55-W57 HydrophobicContact CG-CZ2 4.12Å; W57-P65 CarbonylContact C-O 3.21Å; W57-P65 WeakPolarHBondContact CA-O 3.41Å; W57-P65 HydrophobicContact CB-CB 4.43Å; W57-P65 HydrophobicContact CE3-CB 4.47Å; W57-P65 HydrophobicContact CE3-CG 4.23Å; W57-Y66 HydrophobicContact CE3-CD2 4.4Å; W57-Y66 HydrophobicContact CH2-CD2 4.49Å; W57-Y66 HydrophobicContact CZ3-CD2 4.05Å; W57-I349 HydrophobicContact CB-CD1 4.1Å; W57-I349 HydrophobicContact CD2-CD1 3.97Å; W57-I349 HydrophobicContact CD2-CG2 4.22Å; W57-I349 HydrophobicContact CE3-CD1 4.18Å; W57-I349 HydrophobicContact CE3-CG2 3.76Å; W57-I349 HydrophobicContact CG-CD1 3.92Å; W57-I349 HydrophobicContact CH2-CG2 3.77Å; W57-I349 HydrophobicContact CZ2-CG2 4.23Å; W57-I349 HydrophobicContact CZ3-CG2 3.52Å
58	N	97.1	Very high	95.7	Very high	34 Å²	34	47.7 Å²	47.7	18%	0.182	24%	0.238	C	C	.	.			trans	-120.2	102	164.5	-178.6	-17.7	0	0	0	108.6	Q43 R60 L61 P65 V67	Q43-N58 WeakPolarHBondContact O-CA 3.48Å; Q43-N58 PolarHBondContact O-OD1 3.37Å; N58-R60 PolarHBondContact O-N 3.1Å; N58-R60 VanDerWaalsContact OD1-CB 3.29Å; N58-R60 WeakPolarHBondContact OD1-CB 3.47Å; N58-R60 PolarHBondContact OD1-N 2.9Å; N58-L61 HydrophobicContact CB-CD1 3.83Å; N58-L61 HydrophobicContact CB-CG 3.88Å; N58-L61 PolarHBondContact O-N 3.4Å; N58-L61 VanDerWaalsContact O-N 3.09Å; N58-P65 PolarHBondContact N-O 3.24Å; N58-P65 WeakPolarHBondContact O-CA 3.47Å; N58-V67 HydrophobicContact CB-CG2 3.67Å
59	P	95	Very high	95.6	Very high	24 Å²	24	49 Å²	49	16%	0.156	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-15	-179.5	-27.5	37.1	0	0	0	115.4	F38 L61 W309 M347	F38-P59 HydrophobicContact CE2-CG 4.43Å; P59-L61 VanDerWaalsContact C-N 3.34Å; P59-W309 HydrophobicContact CB-CZ2 4.18Å; P59-W309 HydrophobicContact CG-CZ2 3.76Å; P59-M347 HydrophobicContact CB-CE 4.05Å; P59-M347 HydrophobicContact CB-SD 3.76Å
60	R	93.9	Very high	95.5	Very high	197 Å²	197	49 Å²	49	74%	0.743	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.8	179.7	-54.5	-74.1	-96.5	179.8	-8.4	112.7	Q43 N58 A62	Q43-R60 HydrophobicContact CB-CG 4.26Å; Q43-R60 HydrophobicContact CG-CG 4.37Å; N58-R60 PolarHBondContact O-N 3.1Å; N58-R60 VanDerWaalsContact OD1-CB 3.29Å; N58-R60 WeakPolarHBondContact OD1-CB 3.47Å; N58-R60 PolarHBondContact OD1-N 2.9Å; R60-A62 PolarHBondContact O-N 3.28Å
61	L	93.2	Very high	95.4	Very high	79 Å²	79	49.4 Å²	49.4	41%	0.414	25%	0.251	S	S	.	.			trans	-76.2	118.2	177.3	-62.8	176.2	0	0	0	110.1	N58 P59 R63 D64 V67	N58-L61 HydrophobicContact CB-CD1 3.83Å; N58-L61 HydrophobicContact CB-CG 3.88Å; N58-L61 PolarHBondContact O-N 3.4Å; N58-L61 VanDerWaalsContact O-N 3.09Å; P59-L61 VanDerWaalsContact C-N 3.34Å; L61-R63 VanDerWaalsContact C-N 3.35Å; L61-R63 PolarHBondContact O-N 3.09Å; L61-D64 VanDerWaalsContact CB-O 3.26Å; L61-D64 WeakPolarHBondContact CB-O 3.34Å; L61-D64 WeakPolarHBondContact CD1-O 3.38Å; L61-V67 HydrophobicContact CD1-CG2 4.26Å
62	A	82.2	Confident	95.2	Very high	108 Å²	108	52.2 Å²	52.2	89%	0.893	26%	0.264	S	S	*	.	S	Bend	trans	-68.2	-24.1	-168.9	0	0	0	0	0	115.7	R60	R60-A62 PolarHBondContact O-N 3.28Å
63	R	88.7	Confident	95.2	Very high	251 Å²	251	51.5 Å²	51.5	95%	0.947	26%	0.259	S	S	*	.	S	Bend	trans	-106.7	-48.5	-174.7	-69.1	-173.7	179.5	-172.9	0.1	113.4	L61	L61-R63 VanDerWaalsContact C-N 3.35Å; L61-R63 PolarHBondContact O-N 3.09Å
64	D	93.5	Very high	95.1	Very high	83 Å²	83	51.8 Å²	51.8	44%	0.444	26%	0.261	S	S	.	.			trans	-141.2	116.6	179.9	-173.8	-0.6	0	0	0	108.1	L61 Y66	L61-D64 VanDerWaalsContact CB-O 3.26Å; L61-D64 WeakPolarHBondContact CB-O 3.34Å; L61-D64 WeakPolarHBondContact CD1-O 3.38Å; D64-Y66 PolarHBondContact O-N 3.16Å; D64-Y66 VanDerWaalsContact OD1-CB 3.24Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.48Å; D64-Y66 PolarHBondContact OD1-N 2.87Å
65	P	96.5	Very high	95	Very high	21 Å²	21	52.1 Å²	52.1	14%	0.136	26%	0.263	C	S	.	.			trans	-72.1	-10.7	177.1	30.6	-34.9	0	0	0	112.5	W57 N58 V67 M347 I349	W57-P65 CarbonylContact C-O 3.21Å; W57-P65 WeakPolarHBondContact CA-O 3.41Å; W57-P65 HydrophobicContact CB-CB 4.43Å; W57-P65 HydrophobicContact CE3-CB 4.47Å; W57-P65 HydrophobicContact CE3-CG 4.23Å; N58-P65 PolarHBondContact N-O 3.24Å; N58-P65 WeakPolarHBondContact O-CA 3.47Å; P65-V67 PolarHBondContact O-N 3.26Å; P65-M347 HydrophobicContact CB-CE 4.13Å; P65-M347 HydrophobicContact CG-CE 4.27Å; P65-I349 HydrophobicContact CB-CD1 4.33Å; P65-I349 HydrophobicContact CG-CD1 4.12Å; P65-I349 HydrophobicContact CG-CG1 4.01Å; P65-I349 HydrophobicContact CG-CG2 4.23Å
66	Y	97.3	Very high	95	Very high	50 Å²	50	55.5 Å²	55.5	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	128.3	-178.6	179.2	-108.5	0	0	0	112.7	P27 W57 D64 G68 S69	P27-Y66 HydrophobicContact CB-CD1 3.76Å; P27-Y66 HydrophobicContact CB-CD2 3.93Å; P27-Y66 HydrophobicContact CB-CE1 3.87Å; P27-Y66 HydrophobicContact CB-CE2 4.04Å; P27-Y66 HydrophobicContact CB-CG 3.78Å; P27-Y66 WeakPolarHBondContact O-CD2 3.44Å; W57-Y66 HydrophobicContact CE3-CD2 4.4Å; W57-Y66 HydrophobicContact CH2-CD2 4.49Å; W57-Y66 HydrophobicContact CZ3-CD2 4.05Å; D64-Y66 PolarHBondContact O-N 3.16Å; D64-Y66 VanDerWaalsContact OD1-CB 3.24Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.48Å; D64-Y66 PolarHBondContact OD1-N 2.87Å; Y66-G68 VanDerWaalsContact CE2-C 3.46Å; Y66-G68 WeakPolarHBondContact CE2-O 3.11Å; Y66-S69 WeakPolarHBondContact CE2-OG 3.16Å; Y66-S69 PolarHBondContact OH-N 3.45Å; Y66-S69 PolarHBondContact OH-OG 3.22Å
67	V	95.8	Very high	95.1	Very high	60 Å²	60	55.2 Å²	55.2	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-41.5	175.9	176.8	0	0	0	0	111.3	I56 N58 L61 P65	I56-V67 HydrophobicContact CB-CB 4.15Å; I56-V67 HydrophobicContact CG2-CB 4Å; I56-V67 HydrophobicContact CG2-CG1 4.17Å; I56-V67 WeakPolarHBondContact O-CB 3.37Å; I56-V67 PolarHBondContact O-N 3.42Å; N58-V67 HydrophobicContact CB-CG2 3.67Å; L61-V67 HydrophobicContact CD1-CG2 4.26Å; P65-V67 PolarHBondContact O-N 3.26Å
68	G	95.9	Very high	95.1	Very high	17 Å²	17	55.6 Å²	55.6	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.4	174.1	-176.3	0	0	0	0	0	113.7	I56 Y66	I56-G68 PolarHBondContact N-O 3.27Å; I56-G68 PolarHBondContact O-N 2.92Å; Y66-G68 VanDerWaalsContact CE2-C 3.46Å; Y66-G68 WeakPolarHBondContact CE2-O 3.11Å
69	S	96.5	Very high	95.2	Very high	27 Å²	27	54.8 Å²	54.8	19%	0.189	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.8	-179.8	-62.9	0	0	0	0	110.7	I54 Y66	I54-S69 CarbonylContact O-C 3.6Å; I54-S69 WeakPolarHBondContact O-CA 3.37Å; Y66-S69 WeakPolarHBondContact CE2-OG 3.16Å; Y66-S69 PolarHBondContact OH-N 3.45Å; Y66-S69 PolarHBondContact OH-OG 3.22Å
70	M	96.9	Very high	95.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	98.3	179.3	-46.8	167.6	57.7	0	0	107.5	Y46 I54 I56 L89 W101 G106	Y46-M70 HydrophobicContact CD1-SD 4.47Å; I54-M70 HydrophobicContact CB-CB 4.17Å; I54-M70 HydrophobicContact CB-SD 4.46Å; I54-M70 HydrophobicContact CG2-SD 4.02Å; I54-M70 PolarHBondContact N-O 3.09Å; I54-M70 PolarHBondContact O-N 2.99Å; I56-M70 HydrophobicContact CD1-CG 4.1Å; I56-M70 HydrophobicContact CD1-SD 3.93Å; I56-M70 HydrophobicContact CG1-CG 4.32Å; I56-M70 HydrophobicContact CG1-SD 4.07Å; M70-L89 HydrophobicContact CE-CD2 3.95Å; M70-L89 HydrophobicContact SD-CD2 4.01Å; M70-W101 HydrophobicContact CB-CE3 3.86Å; M70-W101 HydrophobicContact CB-CH2 4.17Å; M70-W101 HydrophobicContact CB-CZ3 3.64Å; M70-W101 HydrophobicContact CE-CB 3.17Å; M70-W101 HydrophobicContact CE-CD2 3.37Å; M70-W101 HydrophobicContact CE-CE3 3.36Å; M70-W101 HydrophobicContact CE-CG 3.3Å; M70-W101 HydrophobicContact CE-CZ3 4.27Å; M70-G106 WeakPolarHBondContact CG-O 3.29Å
71	E	94.5	Very high	95.5	Very high	56 Å²	56	44.9 Å²	44.9	26%	0.262	23%	0.233	S	C	.	.			trans	-112.9	81.1	-162.4	-55.5	-172.8	176.3	0	0	112.1	R22 I53 R511	R22-E71 IonicContact CZ-OE1 3.74Å; R22-E71 IonicContact CZ-OE2 3.21Å; R22-E71 VanDerWaalsContact CZ-OE2 3.3Å; R22-E71 IonicContact NH1-OE1 3.58Å; R22-E71 PolarHBondContact NH1-OE1 3.12Å; R22-E71 IonicContact NH1-OE2 3.8Å; R22-E71 PolarHBondContact NH1-OE2 2.95Å; R22-E71 IonicContact NH2-OE1 3.7Å; R22-E71 PolarHBondContact NH2-OE1 3.32Å; R22-E71 IonicContact NH2-OE2 3Å; R22-E71 PolarHBondContact NH2-OE2 3.27Å; I53-E71 HydrophobicContact CD1-CG 4.32Å; I53-E71 HydrophobicContact CG1-CG 4.12Å; I53-E71 HydrophobicContact CG2-CG 4.01Å; E71-R511 VanDerWaalsContact O-CZ 3.23Å; E71-R511 PolarHBondContact O-NH1 3.25Å; E71-R511 PolarHBondContact O-NH2 3.43Å
72	H	94.4	Very high	95.7	Very high	58 Å²	58	42 Å²	42	27%	0.269	22%	0.218	S	C	.	.			trans	-133.9	-27.5	177.7	-160.5	-44	0	0	0	113.6	K99 W101 C108 R511	H72-K99 HydrophobicContact CB-CD 4.17Å; H72-K99 PolarHBondContact CE1-NZ 2.98Å; H72-K99 PolarHBondContact ND1-NZ 3.05Å; H72-W101 HydrophobicContact CB-CH2 3.36Å; H72-W101 HydrophobicContact CB-CZ2 4.29Å; H72-W101 HydrophobicContact CB-CZ3 3.85Å; H72-C108 HydrophobicContact CB-CB 4.27Å; H72-R511 WeakPolarHBondContact O-CD 3.29Å
73	H	96.7	Very high	96.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.176	C	C	.	.			trans	-66.6	152.6	173.7	-78.4	-61.4	0	0	0	111.1	S52 V77 S91 S93 D95 T97 K99 W101	S52-H73 WeakPolarHBondContact O-CB 3.45Å; S52-H73 PolarHBondContact OG-O 3.23Å; H73-V77 HydrophobicContact CB-CG2 3.88Å; H73-S91 PolarHBondContact CD2-OG 2.87Å; H73-S91 PolarHBondContact NE2-OG 3.1Å; H73-S93 WeakPolarHBondContact CE1-CB 3.46Å; H73-S93 WeakPolarHBondContact ND1-CB 3.21Å; H73-S93 PolarHBondContact ND1-OG 3.29Å; H73-D95 VanDerWaalsContact CA-OD2 3.25Å; H73-D95 WeakPolarHBondContact CA-OD2 3.35Å; H73-D95 IonicContact CE1-OD1 2.87Å; H73-D95 IonicContact CE1-OD2 3.54Å; H73-D95 IonicContact CG-OD2 3.41Å; H73-D95 VanDerWaalsContact ND1-CG 3.35Å; H73-D95 IonicContact ND1-OD1 3.41Å; H73-D95 PolarHBondContact ND1-OD1 2.78Å; H73-D95 IonicContact ND1-OD2 2.74Å; H73-D95 PolarHBondContact ND1-OD2 3.39Å; H73-T97 PolarHBondContact CE1-OG1 3.43Å; H73-K99 VanDerWaalsContact CE1-CD 3.43Å; H73-K99 WeakPolarHBondContact CE1-CD 3.49Å; H73-K99 WeakPolarHBondContact ND1-CE 3.04Å; H73-W101 AromaticContact CD2-CZ2 3.86Å
74	T	96.6	Very high	96.7	Very high	8 Å²	8	26 Å²	26	5%	0.049	14%	0.137	C	C	.	.	S	Bend	trans	-114.9	-1.9	-177.5	48.5	0	0	0	0	113.5	D95 I500 T508 R511	T74-D95 PolarHBondContact N-OD2 3.49Å; T74-D95 WeakPolarHBondContact OG1-CB 3.47Å; T74-D95 PolarHBondContact OG1-OD2 3.24Å; T74-I500 HydrophobicContact CG2-CD1 3.76Å; T74-I500 HydrophobicContact CG2-CG1 3.86Å; T74-I500 HydrophobicContact CG2-CG2 4.01Å; T74-T508 HydrophobicContact CG2-CG2 3.84Å; T74-T508 WeakPolarHBondContact OG1-CB 3.45Å; T74-T508 PolarHBondContact OG1-OG1 3.46Å; T74-R511 HydrophobicContact CG2-CB 3.95Å; T74-R511 HydrophobicContact CG2-CG 3.99Å
75	D	96.4	Very high	96.7	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.043	15%	0.147	C	C	.	.	S	Bend	trans	-146.3	-179.9	176.1	-149.4	-40.6	0	0	0	108.4	S52 V77 S93 D95 K417	S52-D75 VanDerWaalsContact CA-O 3.32Å; S52-D75 WeakPolarHBondContact CA-O 3.38Å; S52-D75 WeakPolarHBondContact CB-O 3.43Å; D75-V77 PolarHBondContact O-N 2.86Å; D75-S93 PolarHBondContact O-OG 3.01Å; D75-D95 HydrophobicContact CB-CB 4.04Å; D75-K417 IonicContact OD1-NZ 2.69Å; D75-K417 IonicContact OD2-NZ 2.7Å; D75-K417 PolarHBondContact OD2-NZ 3.46Å
76	W	98.2	Very high	96.6	Very high	71 Å²	71	27 Å²	27	27%	0.269	14%	0.143	S	C	.	.			trans	-47.8	128	-177.3	-63.3	3.5	0	0	0	111.5	R50 N78 S93 S94 K417	R50-W76 HydrophobicContact CB-CD2 4Å; R50-W76 HydrophobicContact CB-CG 3.82Å; R50-W76 HydrophobicContact CG-CB 4.26Å; R50-W76 HydrophobicContact CG-CD2 3.62Å; R50-W76 HydrophobicContact CG-CE3 3.99Å; R50-W76 HydrophobicContact CG-CG 3.74Å; R50-W76 PolarHBondContact O-NE1 2.93Å; W76-N78 PolarHBondContact O-N 2.97Å; W76-S93 CarbonylContact O-C 3.47Å; W76-S93 VanDerWaalsContact O-CA 3.25Å; W76-S93 WeakPolarHBondContact O-CA 3.46Å; W76-S93 WeakPolarHBondContact O-CB 3.38Å; W76-S93 PolarHBondContact O-OG 3.24Å; W76-S94 PolarHBondContact O-N 3.05Å; W76-K417 PolarHBondContact NE1-O 2.85Å
77	V	98.8	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111.1	168.5	-170.1	0	0	0	0	106.2	N34 A48 G49 I54 H73 D75 L80 A92	N34-V77 WeakPolarHBondContact CB-O 3.28Å; N34-V77 PolarHBondContact ND2-O 3.28Å; A48-V77 HydrophobicContact CB-CB 3.65Å; A48-V77 HydrophobicContact CB-CG1 3.49Å; A48-V77 VanDerWaalsContact CB-CG1 3.49Å; G49-V77 PolarHBondContact O-N 2.66Å; G49-V77 VanDerWaalsContact O-N 3.12Å; I54-V77 HydrophobicContact CD1-CG1 4.2Å; I54-V77 HydrophobicContact CG1-CB 4.46Å; I54-V77 HydrophobicContact CG1-CG1 4.03Å; I54-V77 HydrophobicContact CG1-CG2 4.12Å; H73-V77 HydrophobicContact CB-CG2 3.88Å; D75-V77 PolarHBondContact O-N 2.86Å; V77-L80 HydrophobicContact CG1-CD2 4.07Å; V77-A92 CarbonylContact C-O 3.59Å
78	N	98.8	Very high	96.6	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.064	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-35.8	-171.1	-66.9	-59.7	0	0	0	112.3	N34 W76 A92 S94 V119 K120	N34-N78 WeakPolarHBondContact CB-O 3.34Å; W76-N78 PolarHBondContact O-N 2.97Å; N78-A92 PolarHBondContact N-O 3.15Å; N78-S94 PolarHBondContact ND2-N 3.18Å; N78-S94 PolarHBondContact ND2-OG 3.33Å; N78-S94 PolarHBondContact OD1-OG 2.98Å; N78-V119 WeakPolarHBondContact CB-O 3.48Å; N78-V119 PolarHBondContact ND2-O 2.97Å; N78-K120 HydrophobicContact CB-CD 4.16Å; N78-K120 PolarHBondContact OD1-NZ 3.14Å
79	D	98.8	Very high	96.7	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157	-179.8	-149.7	4.8	0	0	0	113.2	S35 S91 A92 L122 K298	S35-D79 WeakPolarHBondContact CB-OD1 3.49Å; S35-D79 PolarHBondContact OG-OD1 3.03Å; D79-S91 WeakPolarHBondContact O-CA 3.37Å; D79-A92 HydrophobicContact CB-CB 4.37Å; D79-A92 PolarHBondContact N-O 2.92Å; D79-A92 PolarHBondContact O-N 3.23Å; D79-L122 HydrophobicContact CB-CB 4.34Å; D79-L122 HydrophobicContact CB-CD1 4.29Å; D79-L122 HydrophobicContact CB-CG 4.18Å; D79-L122 PolarHBondContact OD2-N 2.84Å; D79-K298 IonicContact OD1-NZ 3.85Å; D79-K298 PolarHBondContact OD1-NZ 3.19Å
80	L	98.6	Very high	96.8	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.5	-179.7	-68.8	179.9	0	0	0	110.7	S35 Q37 A48 I54 V77 L89 V90 S91	S35-L80 PolarHBondContact OG-N 2.7Å; Q37-L80 HydrophobicContact CG-CB 3.82Å; Q37-L80 WeakPolarHBondContact CG-O 3.12Å; A48-L80 HydrophobicContact CB-CD1 3.41Å; A48-L80 VanDerWaalsContact CB-CD1 3.41Å; A48-L80 HydrophobicContact CB-CD2 4.12Å; A48-L80 HydrophobicContact CB-CG 3.47Å; A48-L80 VanDerWaalsContact CB-CG 3.47Å; I54-L80 HydrophobicContact CD1-CD2 3.7Å; I54-L80 HydrophobicContact CG1-CD2 4.09Å; I54-L80 HydrophobicContact CG2-CD1 4.12Å; V77-L80 HydrophobicContact CG1-CD2 4.07Å; L80-L89 HydrophobicContact CB-CD1 4.46Å; L80-L89 HydrophobicContact CD2-CD1 4.46Å; L80-L89 HydrophobicContact CD2-CD2 4.02Å; L80-L89 HydrophobicContact CD2-CG 4.27Å; L80-V90 WeakPolarHBondContact CA-O 3.4Å; L80-S91 VanDerWaalsContact CD2-CB 3.43Å
81	L	97.8	Very high	96.9	Very high	10 Å²	10	28 Å²	28	5%	0.052	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.3	163.9	66.2	85.6	0	0	0	110.8	C83 L89 V90 L122 Y124 L131	L81-C83 HydrophobicContact CD1-CB 3.96Å; L81-L89 WeakPolarHBondContact O-CA 3.32Å; L81-L89 WeakPolarHBondContact O-CD1 3.41Å; L81-V90 HydrophobicContact CD1-CB 3.92Å; L81-V90 HydrophobicContact CD1-CG2 4.09Å; L81-V90 HydrophobicContact CG-CB 4.01Å; L81-V90 PolarHBondContact N-O 3.03Å; L81-V90 PolarHBondContact O-N 2.69Å; L81-L122 HydrophobicContact CD2-CB 3.68Å; L81-L122 HydrophobicContact CD2-CD1 4.07Å; L81-L122 HydrophobicContact CD2-CG 4.31Å; L81-L122 HydrophobicContact CG-CD1 4.29Å; L81-Y124 HydrophobicContact CD1-CD2 4.46Å; L81-Y124 HydrophobicContact CD1-CG 4.33Å; L81-L131 HydrophobicContact CD1-CD1 3.78Å; L81-L131 HydrophobicContact CD2-CD1 3.34Å; L81-L131 HydrophobicContact CD2-CG 3.73Å; L81-L131 HydrophobicContact CG-CD1 4.01Å
82	L	97.7	Very high	97.1	Very high	20 Å²	20	25.4 Å²	25.4	11%	0.105	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.5	164.5	-72.2	167.3	0	0	0	110.1	Q37 D39 Y46 H88 L89 A103	Q37-L82 HydrophobicContact CB-CD1 3.96Å; Q37-L82 HydrophobicContact CB-CG 3.96Å; Q37-L82 HydrophobicContact CG-CG 4.49Å; D39-L82 HydrophobicContact CB-CD1 3.92Å; Y46-L82 HydrophobicContact CD2-CD1 4.1Å; Y46-L82 HydrophobicContact CD2-CD2 4.02Å; Y46-L82 HydrophobicContact CD2-CG 4.4Å; Y46-L82 HydrophobicContact CE2-CD1 4.09Å; Y46-L82 HydrophobicContact CE2-CD2 3.78Å; Y46-L82 HydrophobicContact CE2-CG 4.47Å; L82-H88 WeakPolarHBondContact CA-O 3.46Å; L82-L89 HydrophobicContact CD2-CB 4.32Å; L82-L89 HydrophobicContact CD2-CD1 3.63Å; L82-L89 HydrophobicContact CG-CD1 4.02Å; L82-A103 HydrophobicContact CD2-CB 4.15Å
83	C	96.4	Very high	97.3	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	169.1	175.8	61.6	0	0	0	0	111.6	L81 N85 G86 R87 H88 Y124 V145	L81-C83 HydrophobicContact CD1-CB 3.96Å; C83-N85 PolarHBondContact O-N 3.05Å; C83-G86 PolarHBondContact O-N 2.75Å; C83-G86 VanDerWaalsContact O-N 3.13Å; C83-R87 PolarHBondContact O-N 3.5Å; C83-H88 PolarHBondContact N-O 3.46Å; C83-H88 PolarHBondContact O-N 3.25Å; C83-H88 VanDerWaalsContact SG-CB 3.55Å; C83-Y124 HydrophobicContact CB-CD2 4.3Å; C83-Y124 HydrophobicContact CB-CE1 4.22Å; C83-Y124 HydrophobicContact CB-CE2 3.61Å; C83-V145 HydrophobicContact CB-CG1 3.93Å; C83-V145 WeakPolarHBondContact SG-CG1 3.28Å
84	C	95.3	Very high	97.3	Very high	20 Å²	20	22.7 Å²	22.7	14%	0.135	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	51.1	-178.7	-47.3	0	0	0	0	112.8	G86 R87 Y124 E129 V145	C84-G86 VanDerWaalsContact C-N 3.32Å; C84-G86 PolarHBondContact O-N 2.89Å; C84-R87 HydrophobicContact CB-CB 4.45Å; C84-R87 WeakPolarHBondContact O-CB 3.41Å; C84-R87 WeakPolarHBondContact O-CG 3.38Å; C84-R87 PolarHBondContact O-N 2.84Å; C84-Y124 PolarHBondContact N-OH 3.34Å; C84-E129 WeakPolarHBondContact CA-OE1 3.42Å; C84-E129 PolarHBondContact N-OE1 3.47Å; C84-E129 PolarHBondContact N-OE2 2.87Å; C84-E129 PolarHBondContact SG-OE2 3.03Å; C84-E129 VanDerWaalsContact SG-OE2 3.4Å; C84-V145 WeakPolarHBondContact SG-CG1 2.98Å
85	N	92.9	Very high	97.2	Very high	119 Å²	119	22.4 Å²	22.4	64%	0.636	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.3	-176.7	-60.9	-39.1	0	0	0	114.1	C83 R87	C83-N85 PolarHBondContact O-N 3.05Å; N85-R87 VanDerWaalsContact C-N 3.3Å; N85-R87 PolarHBondContact O-N 3.1Å
86	G	94.5	Very high	97.2	Very high	6 Å²	6	22.6 Å²	22.6	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	1.9	174.5	0	0	0	0	0	114.8	C83 C84 H88 A103 H104	C83-G86 PolarHBondContact O-N 2.75Å; C83-G86 VanDerWaalsContact O-N 3.13Å; C84-G86 VanDerWaalsContact C-N 3.32Å; C84-G86 PolarHBondContact O-N 2.89Å; G86-H88 VanDerWaalsContact C-N 3.32Å; G86-A103 VanDerWaalsContact O-CB 3.31Å; G86-A103 WeakPolarHBondContact O-CB 3.25Å; G86-H104 PolarHBondContact O-CE1 2.99Å; G86-H104 VanDerWaalsContact O-CE1 3.25Å
87	R	95.9	Very high	97	Very high	157 Å²	157	19.4 Å²	19.4	59%	0.592	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.3	177.5	-67.7	176.5	62.1	164.3	-0.5	112.8	C83 C84 N85 A103	C83-R87 PolarHBondContact O-N 3.5Å; C84-R87 HydrophobicContact CB-CB 4.45Å; C84-R87 WeakPolarHBondContact O-CB 3.41Å; C84-R87 WeakPolarHBondContact O-CG 3.38Å; C84-R87 PolarHBondContact O-N 2.84Å; N85-R87 VanDerWaalsContact C-N 3.3Å; N85-R87 PolarHBondContact O-N 3.1Å; R87-A103 PolarHBondContact O-N 2.97Å
88	H	97.3	Very high	96.9	Very high	20 Å²	20	19.4 Å²	19.4	9%	0.093	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.5	-176.9	-62.9	-73.3	0	0	0	110.8	L82 C83 G86 W101 M109 T149	L82-H88 WeakPolarHBondContact CA-O 3.46Å; C83-H88 PolarHBondContact N-O 3.46Å; C83-H88 PolarHBondContact O-N 3.25Å; C83-H88 VanDerWaalsContact SG-CB 3.55Å; G86-H88 VanDerWaalsContact C-N 3.32Å; H88-W101 VanDerWaalsContact CA-O 3.31Å; H88-W101 WeakPolarHBondContact CA-O 3.34Å; H88-W101 PolarHBondContact ND1-O 3.01Å; H88-M109 VanDerWaalsContact CE1-SD 3.55Å; H88-M109 PolarHBondContact ND1-SD 2.91Å; H88-T149 HydrophobicContact CB-CG2 3.99Å; H88-T149 VanDerWaalsContact CD2-CG2 3.47Å; H88-T149 WeakPolarHBondContact CD2-CG2 3.38Å; H88-T149 VanDerWaalsContact CG-CG2 3.48Å
89	L	98.1	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.9	173.3	-173.8	80.5	0	0	0	107.2	Y46 I54 M70 L80 L81 L82 W101 A103	Y46-L89 HydrophobicContact CD1-CD1 4.46Å; Y46-L89 HydrophobicContact CD1-CD2 4.16Å; Y46-L89 HydrophobicContact CG-CD1 4.18Å; I54-L89 HydrophobicContact CD1-CD2 4.2Å; I54-L89 HydrophobicContact CG2-CD2 3.91Å; M70-L89 HydrophobicContact CE-CD2 3.95Å; M70-L89 HydrophobicContact SD-CD2 4.01Å; L80-L89 HydrophobicContact CB-CD1 4.46Å; L80-L89 HydrophobicContact CD2-CD1 4.46Å; L80-L89 HydrophobicContact CD2-CD2 4.02Å; L80-L89 HydrophobicContact CD2-CG 4.27Å; L81-L89 WeakPolarHBondContact O-CA 3.32Å; L81-L89 WeakPolarHBondContact O-CD1 3.41Å; L82-L89 HydrophobicContact CD2-CB 4.32Å; L82-L89 HydrophobicContact CD2-CD1 3.63Å; L82-L89 HydrophobicContact CG-CD1 4.02Å; L89-W101 HydrophobicContact CB-CB 4.26Å; L89-W101 PolarHBondContact N-O 3.31Å; L89-W101 VanDerWaalsContact N-O 3.12Å; L89-W101 VanDerWaalsContact O-CD1 3.3Å; L89-W101 PolarHBondContact O-N 3.49Å; L89-A103 HydrophobicContact CB-CB 4.12Å
90	V	98.2	Very high	96.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.5	169.9	-176.7	0	0	0	0	109	L80 L81 V98 K99 V100 L122 L131	L80-V90 WeakPolarHBondContact CA-O 3.4Å; L81-V90 HydrophobicContact CD1-CB 3.92Å; L81-V90 HydrophobicContact CD1-CG2 4.09Å; L81-V90 HydrophobicContact CG-CB 4.01Å; L81-V90 PolarHBondContact N-O 3.03Å; L81-V90 PolarHBondContact O-N 2.69Å; V90-V98 HydrophobicContact CG1-CG1 3.42Å; V90-V98 VanDerWaalsContact CG1-CG1 3.42Å; V90-K99 CarbonylContact C-O 3.31Å; V90-K99 VanDerWaalsContact CA-O 3.29Å; V90-K99 WeakPolarHBondContact CA-O 3.29Å; V90-V100 HydrophobicContact CG2-CG1 4.38Å; V90-V100 HydrophobicContact CG2-CG2 4.28Å; V90-L122 HydrophobicContact CG1-CD1 4.31Å; V90-L122 WeakPolarHBondContact O-CD1 3.46Å; V90-L131 HydrophobicContact CB-CD1 3.67Å; V90-L131 HydrophobicContact CG1-CD1 3.57Å; V90-L131 HydrophobicContact CG2-CD1 3.68Å
91	S	98.7	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.1	-178	61.7	0	0	0	0	112.1	H73 D79 L80 V98 K99 W101	H73-S91 PolarHBondContact CD2-OG 2.87Å; H73-S91 PolarHBondContact NE2-OG 3.1Å; D79-S91 WeakPolarHBondContact O-CA 3.37Å; L80-S91 VanDerWaalsContact CD2-CB 3.43Å; S91-V98 CarbonylContact O-C 3.55Å; S91-V98 WeakPolarHBondContact O-CA 3.5Å; S91-V98 WeakPolarHBondContact O-CG1 2.97Å; S91-K99 PolarHBondContact N-O 2.9Å; S91-K99 PolarHBondContact O-N 2.85Å; S91-W101 PolarHBondContact OG-NE1 3.42Å
92	A	98.6	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.6	174.4	0	0	0	0	0	109.6	V77 N78 D79 V119 L122	V77-A92 CarbonylContact C-O 3.59Å; N78-A92 PolarHBondContact N-O 3.15Å; D79-A92 HydrophobicContact CB-CB 4.37Å; D79-A92 PolarHBondContact N-O 2.92Å; D79-A92 PolarHBondContact O-N 3.23Å; A92-V119 HydrophobicContact CB-CB 3.85Å; A92-V119 HydrophobicContact CB-CG1 3.56Å; A92-L122 HydrophobicContact CB-CD1 3.91Å; A92-L122 HydrophobicContact CB-CD2 3.98Å; A92-L122 HydrophobicContact CB-CG 3.7Å
93	S	98.4	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.9	-174.3	176.3	0	0	0	0	113.8	H73 D75 W76 D95 T96 T97 V119	H73-S93 WeakPolarHBondContact CE1-CB 3.46Å; H73-S93 WeakPolarHBondContact ND1-CB 3.21Å; H73-S93 PolarHBondContact ND1-OG 3.29Å; D75-S93 PolarHBondContact O-OG 3.01Å; W76-S93 CarbonylContact O-C 3.47Å; W76-S93 VanDerWaalsContact O-CA 3.25Å; W76-S93 WeakPolarHBondContact O-CA 3.46Å; W76-S93 WeakPolarHBondContact O-CB 3.38Å; W76-S93 PolarHBondContact O-OG 3.24Å; S93-D95 VanDerWaalsContact CB-OD1 3.28Å; S93-D95 WeakPolarHBondContact CB-OD1 2.94Å; S93-D95 PolarHBondContact O-N 2.7Å; S93-D95 VanDerWaalsContact OG-CG 3.29Å; S93-D95 PolarHBondContact OG-N 2.69Å; S93-D95 VanDerWaalsContact OG-N 3.08Å; S93-D95 PolarHBondContact OG-OD1 2.95Å; S93-T96 PolarHBondContact O-N 3.45Å; S93-T97 PolarHBondContact N-O 3.37Å; S93-T97 VanDerWaalsContact N-O 3.12Å; S93-V119 PolarHBondContact O-N 2.59Å
94	S	97.1	Very high	96.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.3	167.9	-61.5	0	0	0	0	112.4	W76 N78 T96 Y118	W76-S94 PolarHBondContact O-N 3.05Å; N78-S94 PolarHBondContact ND2-N 3.18Å; N78-S94 PolarHBondContact ND2-OG 3.33Å; N78-S94 PolarHBondContact OD1-OG 2.98Å; S94-T96 PolarHBondContact O-N 2.81Å; S94-T96 VanDerWaalsContact O-N 3.1Å; S94-Y118 WeakPolarHBondContact O-CD1 3.36Å; S94-Y118 WeakPolarHBondContact O-CE1 3.49Å
95	D	95.5	Very high	96.3	Very high	3 Å²	3	30 Å²	30	2%	0.016	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	15.7	169.4	70.6	13.9	0	0	0	113.9	H73 T74 D75 S93 T97	H73-D95 VanDerWaalsContact CA-OD2 3.25Å; H73-D95 WeakPolarHBondContact CA-OD2 3.35Å; H73-D95 IonicContact CE1-OD1 2.87Å; H73-D95 IonicContact CE1-OD2 3.54Å; H73-D95 IonicContact CG-OD2 3.41Å; H73-D95 VanDerWaalsContact ND1-CG 3.35Å; H73-D95 IonicContact ND1-OD1 3.41Å; H73-D95 PolarHBondContact ND1-OD1 2.78Å; H73-D95 IonicContact ND1-OD2 2.74Å; H73-D95 PolarHBondContact ND1-OD2 3.39Å; T74-D95 PolarHBondContact N-OD2 3.49Å; T74-D95 WeakPolarHBondContact OG1-CB 3.47Å; T74-D95 PolarHBondContact OG1-OD2 3.24Å; D75-D95 HydrophobicContact CB-CB 4.04Å; S93-D95 VanDerWaalsContact CB-OD1 3.28Å; S93-D95 WeakPolarHBondContact CB-OD1 2.94Å; S93-D95 PolarHBondContact O-N 2.7Å; S93-D95 VanDerWaalsContact OG-CG 3.29Å; S93-D95 PolarHBondContact OG-N 2.69Å; S93-D95 VanDerWaalsContact OG-N 3.08Å; S93-D95 PolarHBondContact OG-OD1 2.95Å; D95-T97 PolarHBondContact O-N 3.02Å; D95-T97 WeakPolarHBondContact OD1-CB 3.28Å; D95-T97 PolarHBondContact OD1-N 3.26Å; D95-T97 PolarHBondContact OD1-OG1 3.48Å
96	T	95.1	Very high	96.3	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.067	11%	0.111	C	C	.	.	S	Bend	trans	64.2	13.6	-178.6	84.9	0	0	0	0	114.7	S93 S94	S93-T96 PolarHBondContact O-N 3.45Å; S94-T96 PolarHBondContact O-N 2.81Å; S94-T96 VanDerWaalsContact O-N 3.1Å
97	T	95.4	Very high	96.2	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.025	13%	0.128	C	C	.	.			trans	-114.2	150.7	-178.6	74.3	0	0	0	0	113.4	H73 S93 D95 K99 T111 L112 R113	H73-T97 PolarHBondContact CE1-OG1 3.43Å; S93-T97 PolarHBondContact N-O 3.37Å; S93-T97 VanDerWaalsContact N-O 3.12Å; D95-T97 PolarHBondContact O-N 3.02Å; D95-T97 WeakPolarHBondContact OD1-CB 3.28Å; D95-T97 PolarHBondContact OD1-N 3.26Å; D95-T97 PolarHBondContact OD1-OG1 3.48Å; T97-K99 WeakPolarHBondContact OG1-CE 3.41Å; T97-T111 HydrophobicContact CG2-CG2 3.82Å; T97-L112 WeakPolarHBondContact CA-O 3.34Å; T97-R113 HydrophobicContact CG2-CG 4.04Å
98	V	97	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.3	159.6	177.7	0	0	0	0	107.6	V90 S91 L112 V119	V90-V98 HydrophobicContact CG1-CG1 3.42Å; V90-V98 VanDerWaalsContact CG1-CG1 3.42Å; S91-V98 CarbonylContact O-C 3.55Å; S91-V98 WeakPolarHBondContact O-CA 3.5Å; S91-V98 WeakPolarHBondContact O-CG1 2.97Å; V98-L112 HydrophobicContact CB-CB 4.2Å; V98-L112 HydrophobicContact CB-CD1 4.13Å; V98-L112 HydrophobicContact CG1-CD1 3.95Å; V98-L112 PolarHBondContact N-O 3.37Å; V98-L112 VanDerWaalsContact N-O 3.08Å; V98-L112 WeakPolarHBondContact O-CB 3.05Å; V98-L112 PolarHBondContact O-N 3.27Å; V98-V119 HydrophobicContact CG2-CB 4.49Å; V98-V119 HydrophobicContact CG2-CG1 3.87Å; V98-V119 HydrophobicContact CG2-CG2 4.29Å
99	K	96.1	Very high	95.8	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.022	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.5	178.9	-68.9	179	-171.9	-75.5	0	111.2	H72 H73 V90 S91 T97 W101 S110 T111	H72-K99 HydrophobicContact CB-CD 4.17Å; H72-K99 PolarHBondContact CE1-NZ 2.98Å; H72-K99 PolarHBondContact ND1-NZ 3.05Å; H73-K99 VanDerWaalsContact CE1-CD 3.43Å; H73-K99 WeakPolarHBondContact CE1-CD 3.49Å; H73-K99 WeakPolarHBondContact ND1-CE 3.04Å; V90-K99 CarbonylContact C-O 3.31Å; V90-K99 VanDerWaalsContact CA-O 3.29Å; V90-K99 WeakPolarHBondContact CA-O 3.29Å; S91-K99 PolarHBondContact N-O 2.9Å; S91-K99 PolarHBondContact O-N 2.85Å; T97-K99 WeakPolarHBondContact OG1-CE 3.41Å; K99-W101 HydrophobicContact CB-CZ2 3.88Å; K99-W101 HydrophobicContact CD-CH2 4.18Å; K99-W101 HydrophobicContact CD-CZ2 3.63Å; K99-W101 HydrophobicContact CG-CZ2 4.41Å; K99-W101 PolarHBondContact O-NE1 2.76Å; K99-S110 WeakPolarHBondContact CA-O 3.1Å; K99-T111 HydrophobicContact CG-CG2 4.25Å; K99-T111 VanDerWaalsContact NZ-CG2 3.29Å; K99-T111 PolarHBondContact NZ-OG1 3.21Å
100	V	96.7	Very high	95.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.1	174.5	-173.2	0	0	0	0	107.8	V90 M109 S110 L112 L148 T149	V90-V100 HydrophobicContact CG2-CG1 4.38Å; V90-V100 HydrophobicContact CG2-CG2 4.28Å; V100-M109 WeakPolarHBondContact O-CA 3.29Å; V100-M109 WeakPolarHBondContact O-CB 3.29Å; V100-M109 PolarHBondContact O-N 2.96Å; V100-S110 WeakPolarHBondContact CB-OG 3.3Å; V100-S110 WeakPolarHBondContact CG2-OG 3Å; V100-S110 PolarHBondContact N-O 2.9Å; V100-S110 PolarHBondContact O-N 2.81Å; V100-L112 HydrophobicContact CG2-CD1 4.26Å; V100-L148 HydrophobicContact CG2-CB 4.16Å; V100-L148 HydrophobicContact CG2-CD1 4.12Å; V100-T149 HydrophobicContact CG1-CG2 4.16Å
101	W	97.2	Very high	95.2	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.5	-174.1	-46.6	79.2	0	0	0	111.3	I54 M70 H72 H73 H88 L89 S91 K99 A103 F107 C108	I54-W101 HydrophobicContact CD1-CZ2 3.89Å; M70-W101 HydrophobicContact CB-CE3 3.86Å; M70-W101 HydrophobicContact CB-CH2 4.17Å; M70-W101 HydrophobicContact CB-CZ3 3.64Å; M70-W101 HydrophobicContact CE-CB 3.17Å; M70-W101 HydrophobicContact CE-CD2 3.37Å; M70-W101 HydrophobicContact CE-CE3 3.36Å; M70-W101 HydrophobicContact CE-CG 3.3Å; M70-W101 HydrophobicContact CE-CZ3 4.27Å; H72-W101 HydrophobicContact CB-CH2 3.36Å; H72-W101 HydrophobicContact CB-CZ2 4.29Å; H72-W101 HydrophobicContact CB-CZ3 3.85Å; H73-W101 AromaticContact CD2-CZ2 3.86Å; H88-W101 VanDerWaalsContact CA-O 3.31Å; H88-W101 WeakPolarHBondContact CA-O 3.34Å; H88-W101 PolarHBondContact ND1-O 3.01Å; L89-W101 HydrophobicContact CB-CB 4.26Å; L89-W101 PolarHBondContact N-O 3.31Å; L89-W101 VanDerWaalsContact N-O 3.12Å; L89-W101 VanDerWaalsContact O-CD1 3.3Å; L89-W101 PolarHBondContact O-N 3.49Å; S91-W101 PolarHBondContact OG-NE1 3.42Å; K99-W101 HydrophobicContact CB-CZ2 3.88Å; K99-W101 HydrophobicContact CD-CH2 4.18Å; K99-W101 HydrophobicContact CD-CZ2 3.63Å; K99-W101 HydrophobicContact CG-CZ2 4.41Å; K99-W101 PolarHBondContact O-NE1 2.76Å; W101-A103 PolarHBondContact O-N 2.83Å; W101-F107 WeakPolarHBondContact CA-O 3.43Å; W101-C108 HydrophobicContact CD2-CB 4.17Å; W101-C108 HydrophobicContact CE3-CB 3.55Å; W101-C108 VanDerWaalsContact CE3-N 3.34Å; W101-C108 HydrophobicContact CH2-CB 4.2Å; W101-C108 HydrophobicContact CZ3-CB 3.55Å
102	N	96.5	Very high	94.9	Very high	30 Å²	30	27.6 Å²	27.6	16%	0.16	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	109.6	161.3	-172.8	-60.6	0	0	0	107.9	H104 R105 G106 F107 M109	N102-H104 VanDerWaalsContact C-N 3.28Å; N102-H104 PolarHBondContact O-N 2.96Å; N102-H104 PolarHBondContact OD1-N 3.15Å; N102-H104 VanDerWaalsContact OD1-N 3.16Å; N102-R105 HydrophobicContact CB-CB 4.27Å; N102-R105 WeakPolarHBondContact OD1-CB 3.47Å; N102-R105 PolarHBondContact OD1-N 3.23Å; N102-G106 WeakPolarHBondContact O-CA 3.29Å; N102-G106 PolarHBondContact O-N 3.01Å; N102-F107 HydrophobicContact CB-CD1 3.89Å; N102-F107 HydrophobicContact CB-CE1 3.49Å; N102-F107 VanDerWaalsContact CB-CE1 3.49Å; N102-F107 HydrophobicContact CB-CZ 3.87Å; N102-F107 PolarHBondContact N-O 3.22Å; N102-M109 HydrophobicContact CB-CG 4.31Å; N102-M109 HydrophobicContact CB-SD 4.02Å
103	A	96.4	Very high	94.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.4	-174.1	0	0	0	0	0	112.2	R44 Y46 L82 G86 R87 L89 W101	R44-A103 PolarHBondContact NH1-O 3.5Å; Y46-A103 HydrophobicContact CE1-CB 4.16Å; Y46-A103 PolarHBondContact OH-O 2.88Å; L82-A103 HydrophobicContact CD2-CB 4.15Å; G86-A103 VanDerWaalsContact O-CB 3.31Å; G86-A103 WeakPolarHBondContact O-CB 3.25Å; R87-A103 PolarHBondContact O-N 2.97Å; L89-A103 HydrophobicContact CB-CB 4.12Å; W101-A103 PolarHBondContact O-N 2.83Å
104	H	93.6	Very high	94.2	Very high	68 Å²	68	34.9 Å²	34.9	32%	0.315	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-41.5	-178.6	-59.7	-24.4	0	0	0	112.9	D39 R44 G86 N102	D39-H104 IonicContact OD2-CE1 3.69Å; R44-H104 PolarHBondContact NH1-O 2.93Å; G86-H104 PolarHBondContact O-CE1 2.99Å; G86-H104 VanDerWaalsContact O-CE1 3.25Å; N102-H104 VanDerWaalsContact C-N 3.28Å; N102-H104 PolarHBondContact O-N 2.96Å; N102-H104 PolarHBondContact OD1-N 3.15Å; N102-H104 VanDerWaalsContact OD1-N 3.16Å
105	R	93	Very high	94	Very high	201 Å²	201	35 Å²	35	76%	0.758	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.2	-177.4	-65.7	-179.6	174.4	-175.8	3	113.8	N102 F107	N102-R105 HydrophobicContact CB-CB 4.27Å; N102-R105 WeakPolarHBondContact OD1-CB 3.47Å; N102-R105 PolarHBondContact OD1-N 3.23Å; R105-F107 HydrophobicContact CB-CD1 3.67Å; R105-F107 HydrophobicContact CB-CE1 3.85Å; R105-F107 HydrophobicContact CG-CE1 4.46Å
106	G	93.4	Very high	93.9	Very high	17 Å²	17	43.6 Å²	43.6	18%	0.175	20%	0.203	C	C	.	.			trans	78	15.1	173.4	0	0	0	0	0	116.2	M70 N102	M70-G106 WeakPolarHBondContact CG-O 3.29Å; N102-G106 WeakPolarHBondContact O-CA 3.29Å; N102-G106 PolarHBondContact O-N 3.01Å
107	F	91.9	Very high	93.9	Very high	97 Å²	97	46.1 Å²	46.1	43%	0.425	22%	0.216	S	C	.	.			trans	-105.3	151.3	178.3	75.9	-89.7	0	0	0	112.7	W101 N102 R105 M109	W101-F107 WeakPolarHBondContact CA-O 3.43Å; N102-F107 HydrophobicContact CB-CD1 3.89Å; N102-F107 HydrophobicContact CB-CE1 3.49Å; N102-F107 VanDerWaalsContact CB-CE1 3.49Å; N102-F107 HydrophobicContact CB-CZ 3.87Å; N102-F107 PolarHBondContact N-O 3.22Å; R105-F107 HydrophobicContact CB-CD1 3.67Å; R105-F107 HydrophobicContact CB-CE1 3.85Å; R105-F107 HydrophobicContact CG-CE1 4.46Å; F107-M109 HydrophobicContact CD2-CG 4.29Å; F107-M109 HydrophobicContact CE2-CG 3.63Å; F107-M109 HydrophobicContact CZ-CG 4.06Å
108	C	93.3	Very high	94	Very high	30 Å²	30	49.7 Å²	49.7	20%	0.203	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.1	176	-174.9	0	0	0	0	109.7	H72 W101 S110	H72-C108 HydrophobicContact CB-CB 4.27Å; W101-C108 HydrophobicContact CD2-CB 4.17Å; W101-C108 HydrophobicContact CE3-CB 3.55Å; W101-C108 VanDerWaalsContact CE3-N 3.34Å; W101-C108 HydrophobicContact CH2-CB 4.2Å; W101-C108 HydrophobicContact CZ3-CB 3.55Å; C108-S110 PolarHBondContact SG-O 2.91Å
109	M	92.6	Very high	94	Very high	61 Å²	61	49.7 Å²	49.7	30%	0.3	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-42.4	178	-64.9	173.4	58.6	0	0	111.8	H88 V100 N102 F107 T149	H88-M109 VanDerWaalsContact CE1-SD 3.55Å; H88-M109 PolarHBondContact ND1-SD 2.91Å; V100-M109 WeakPolarHBondContact O-CA 3.29Å; V100-M109 WeakPolarHBondContact O-CB 3.29Å; V100-M109 PolarHBondContact O-N 2.96Å; N102-M109 HydrophobicContact CB-CG 4.31Å; N102-M109 HydrophobicContact CB-SD 4.02Å; F107-M109 HydrophobicContact CD2-CG 4.29Å; F107-M109 HydrophobicContact CE2-CG 3.63Å; F107-M109 HydrophobicContact CZ-CG 4.06Å; M109-T149 VanDerWaalsContact CE-O 3.3Å; M109-T149 WeakPolarHBondContact CE-O 3.38Å
110	S	90.6	Very high	94.2	Very high	15 Å²	15	51.6 Å²	51.6	11%	0.105	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.2	-177.4	67.5	0	0	0	0	112.3	K99 V100 C108	K99-S110 WeakPolarHBondContact CA-O 3.1Å; V100-S110 WeakPolarHBondContact CB-OG 3.3Å; V100-S110 WeakPolarHBondContact CG2-OG 3Å; V100-S110 PolarHBondContact N-O 2.9Å; V100-S110 PolarHBondContact O-N 2.81Å; C108-S110 PolarHBondContact SG-O 2.91Å
111	T	91.5	Very high	94.2	Very high	30 Å²	30	51.7 Å²	51.7	18%	0.184	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.4	177.2	-61.9	0	0	0	0	109.9	T97 K99 R113	T97-T111 HydrophobicContact CG2-CG2 3.82Å; K99-T111 HydrophobicContact CG-CG2 4.25Å; K99-T111 VanDerWaalsContact NZ-CG2 3.29Å; K99-T111 PolarHBondContact NZ-OG1 3.21Å; T111-R113 HydrophobicContact CG2-CG 4.13Å
112	L	92.8	Very high	94.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.8	-177.4	-43.9	171.7	0	0	0	108.6	T97 V98 V100 W143 L148 L151 I158	T97-L112 WeakPolarHBondContact CA-O 3.34Å; V98-L112 HydrophobicContact CB-CB 4.2Å; V98-L112 HydrophobicContact CB-CD1 4.13Å; V98-L112 HydrophobicContact CG1-CD1 3.95Å; V98-L112 PolarHBondContact N-O 3.37Å; V98-L112 VanDerWaalsContact N-O 3.08Å; V98-L112 WeakPolarHBondContact O-CB 3.05Å; V98-L112 PolarHBondContact O-N 3.27Å; V100-L112 HydrophobicContact CG2-CD1 4.26Å; L112-W143 HydrophobicContact CB-CH2 3.73Å; L112-W143 HydrophobicContact CB-CZ3 3.93Å; L112-W143 HydrophobicContact CD1-CD2 4.27Å; L112-W143 HydrophobicContact CD1-CE3 3.77Å; L112-W143 HydrophobicContact CD1-CH2 3.87Å; L112-W143 HydrophobicContact CD1-CZ2 4.41Å; L112-W143 HydrophobicContact CD1-CZ3 3.54Å; L112-W143 HydrophobicContact CD2-CZ3 4.19Å; L112-W143 HydrophobicContact CG-CH2 4.32Å; L112-W143 HydrophobicContact CG-CZ3 4.07Å; L112-L148 HydrophobicContact CD1-CD1 3.96Å; L112-L148 HydrophobicContact CD1-CD2 3.59Å; L112-L148 HydrophobicContact CD1-CG 4.44Å; L112-L148 HydrophobicContact CD2-CD2 3.71Å; L112-L148 HydrophobicContact CG-CD2 4.3Å; L112-L151 HydrophobicContact CD2-CD1 4.37Å; L112-I158 HydrophobicContact CD2-CD1 3.51Å; L112-I158 HydrophobicContact CD2-CG1 4.07Å; L112-I158 HydrophobicContact CD2-CG2 4.43Å
113	R	90.7	Very high	94.4	Very high	112 Å²	112	51 Å²	51	42%	0.423	24%	0.237	S	C	.	.			trans	-105.4	37.3	-175.8	-63.1	-175.9	171.2	84.1	-12.9	112.7	T97 T111 L509	T97-R113 HydrophobicContact CG2-CG 4.04Å; T111-R113 HydrophobicContact CG2-CG 4.13Å; R113-L509 PolarHBondContact NH2-O 3.48Å
114	T	91.9	Very high	94.5	Very high	42 Å²	42	53.1 Å²	53.1	26%	0.258	25%	0.245	S	C	.	.			trans	-78.4	-36.7	-176.8	53.8	0	0	0	0	112.8	W143	T114-W143 HydrophobicContact CG2-CH2 3.45Å; T114-W143 VanDerWaalsContact CG2-CH2 3.45Å; T114-W143 HydrophobicContact CG2-CZ2 4.37Å; T114-W143 HydrophobicContact CG2-CZ3 4.05Å; T114-W143 WeakPolarHBondContact OG1-CH2 3.46Å; T114-W143 WeakPolarHBondContact OG1-CZ2 3.3Å
115	H	93.7	Very high	94.7	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.019	23%	0.23	C	C	.	.			trans	-71.6	147.6	178.4	-76	-78.4	0	0	0	111.6	V119 S133 D137 F141	H115-V119 HydrophobicContact CB-CG2 3.63Å; H115-S133 WeakPolarHBondContact NE2-CB 3.49Å; H115-S133 PolarHBondContact NE2-OG 3.11Å; H115-D137 WeakPolarHBondContact CA-OD2 3.34Å; H115-D137 WeakPolarHBondContact CB-OD2 3.07Å; H115-D137 IonicContact CE1-OD1 3.74Å; H115-D137 IonicContact CG-OD2 3.03Å; H115-D137 IonicContact ND1-OD1 3.22Å; H115-D137 PolarHBondContact ND1-OD1 3.3Å; H115-D137 VanDerWaalsContact ND1-OD1 3.17Å; H115-D137 IonicContact ND1-OD2 3.35Å; H115-D137 PolarHBondContact ND1-OD2 2.91Å; H115-F141 AromaticContact CD2-CD2 3.98Å; H115-F141 AromaticContact CE1-CD2 3.45Å; H115-F141 VanDerWaalsContact CE1-CD2 3.45Å; H115-F141 WeakPolarHBondContact CE1-CD2 3.21Å; H115-F141 AromaticContact CE1-CE2 3.8Å; H115-F141 AromaticContact ND1-CD2 3.87Å; H115-F141 AromaticContact ND1-CE2 3.76Å; H115-F141 AromaticContact NE2-CD2 3.51Å
116	K	93.1	Very high	94.8	Very high	183 Å²	183	45.4 Å²	45.4	80%	0.796	22%	0.216	S	C	*	.	S	Bend	trans	-105.9	-3.4	-177.7	-63.7	-178.9	-178.2	176.1	0	113.7	D137	K116-D137 HydrophobicContact CB-CB 4.3Å; K116-D137 PolarHBondContact N-OD2 2.85Å
117	D	94.7	Very high	94.8	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.342	23%	0.232	S	C	.	.	S	Bend	trans	-151.9	-177.2	-179	-156.5	-20.4	0	0	0	108.4	V119 L136 D137	D117-V119 PolarHBondContact O-N 2.81Å; D117-L136 HydrophobicContact CB-CB 4.05Å; D117-L136 WeakPolarHBondContact OD2-CB 3.5Å; D117-D137 HydrophobicContact CB-CB 3.81Å
118	Y	96.8	Very high	94.9	Very high	79 Å²	79	49 Å²	49	31%	0.31	23%	0.228	S	C	.	.			trans	-57.1	126.5	-173.3	-64.5	0.1	0	0	0	111.8	S94 G135 L136	S94-Y118 WeakPolarHBondContact O-CD1 3.36Å; S94-Y118 WeakPolarHBondContact O-CE1 3.49Å; Y118-G135 CarbonylContact O-C 3.55Å; Y118-G135 WeakPolarHBondContact O-CA 3.5Å; Y118-L136 HydrophobicContact CD2-CD1 3.91Å; Y118-L136 HydrophobicContact CG-CD1 4.06Å; Y118-L136 PolarHBondContact O-N 3.15Å
119	V	98.4	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.3	174.7	-162.3	0	0	0	0	108	N78 A92 S93 V98 H115 D117 A134	N78-V119 WeakPolarHBondContact CB-O 3.48Å; N78-V119 PolarHBondContact ND2-O 2.97Å; A92-V119 HydrophobicContact CB-CB 3.85Å; A92-V119 HydrophobicContact CB-CG1 3.56Å; S93-V119 PolarHBondContact O-N 2.59Å; V98-V119 HydrophobicContact CG2-CB 4.49Å; V98-V119 HydrophobicContact CG2-CG1 3.87Å; V98-V119 HydrophobicContact CG2-CG2 4.29Å; H115-V119 HydrophobicContact CB-CG2 3.63Å; D117-V119 PolarHBondContact O-N 2.81Å; V119-A134 WeakPolarHBondContact CG1-O 3.23Å
120	K	98.6	Very high	95.1	Very high	45 Å²	45	47.7 Å²	47.7	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-30.8	-169.3	-76.3	-50.1	-148.8	-172.6	0	114.7	N78 A134 L136	N78-K120 HydrophobicContact CB-CD 4.16Å; N78-K120 PolarHBondContact OD1-NZ 3.14Å; K120-A134 PolarHBondContact N-O 2.61Å; K120-L136 HydrophobicContact CG-CD2 4.04Å; K120-L136 HydrophobicContact CG-CG 4.26Å
121	A	98.5	Very high	95.4	Very high	3 Å²	3	47 Å²	47	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144	-170.8	0	0	0	0	0	111.4	S133 A134 L173	A121-S133 WeakPolarHBondContact O-CA 3.45Å; A121-A134 PolarHBondContact N-O 3.47Å; A121-A134 PolarHBondContact O-N 3.04Å; A121-L173 HydrophobicContact CB-CB 4.16Å; A121-L173 HydrophobicContact CB-CD1 4.36Å; A121-L173 HydrophobicContact CB-CG 3.96Å
122	L	98.8	Very high	95.7	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.8	169.5	-67.7	173.9	0	0	0	109.8	D79 L81 V90 A92 L131 A132	D79-L122 HydrophobicContact CB-CB 4.34Å; D79-L122 HydrophobicContact CB-CD1 4.29Å; D79-L122 HydrophobicContact CB-CG 4.18Å; D79-L122 PolarHBondContact OD2-N 2.84Å; L81-L122 HydrophobicContact CD2-CB 3.68Å; L81-L122 HydrophobicContact CD2-CD1 4.07Å; L81-L122 HydrophobicContact CD2-CG 4.31Å; L81-L122 HydrophobicContact CG-CD1 4.29Å; V90-L122 HydrophobicContact CG1-CD1 4.31Å; V90-L122 WeakPolarHBondContact O-CD1 3.46Å; A92-L122 HydrophobicContact CB-CD1 3.91Å; A92-L122 HydrophobicContact CB-CD2 3.98Å; A92-L122 HydrophobicContact CB-CG 3.7Å; L122-L131 HydrophobicContact CD2-CD2 4.06Å; L122-A132 CarbonylContact C-O 3.56Å; L122-A132 WeakPolarHBondContact CA-O 3.32Å
123	A	98.4	Very high	96	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.9	166	0	0	0	0	0	110.3	L131 A132 L173 M175	A123-L131 CarbonylContact O-C 3.44Å; A123-L131 WeakPolarHBondContact O-CA 3.43Å; A123-A132 HydrophobicContact CB-CB 4.41Å; A123-A132 PolarHBondContact N-O 2.77Å; A123-A132 PolarHBondContact O-N 2.92Å; A123-L173 HydrophobicContact CB-CB 3.64Å; A123-M175 HydrophobicContact CB-CB 4.14Å; A123-M175 HydrophobicContact CB-CG 3.69Å; A123-M175 HydrophobicContact CB-SD 4.1Å
124	Y	98	Very high	96.3	Very high	43 Å²	43	40.2 Å²	40.2	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	130.8	-171.5	175.2	-122.1	0	0	0	111.3	L81 C83 C84 K126 E129 Q130 V145	L81-Y124 HydrophobicContact CD1-CD2 4.46Å; L81-Y124 HydrophobicContact CD1-CG 4.33Å; C83-Y124 HydrophobicContact CB-CD2 4.3Å; C83-Y124 HydrophobicContact CB-CE1 4.22Å; C83-Y124 HydrophobicContact CB-CE2 3.61Å; C84-Y124 PolarHBondContact N-OH 3.34Å; Y124-K126 HydrophobicContact CD1-CB 4.25Å; Y124-K126 HydrophobicContact CE1-CB 3.63Å; Y124-K126 HydrophobicContact CE1-CG 3.96Å; Y124-E129 WeakPolarHBondContact CE2-OE2 3.43Å; Y124-E129 PolarHBondContact OH-OE1 3.1Å; Y124-E129 PolarHBondContact OH-OE2 2.77Å; Y124-Q130 WeakPolarHBondContact CA-O 3.01Å; Y124-Q130 WeakPolarHBondContact CD2-O 3.48Å; Y124-V145 HydrophobicContact CD2-CG2 4.44Å; Y124-V145 HydrophobicContact CE2-CG2 4.13Å
125	A	97.3	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	97.3	170.6	0	0	0	0	0	109.4	D127 R128 E129 Q130 M175 N176 S177 G179	A125-D127 PolarHBondContact O-N 2.73Å; A125-R128 PolarHBondContact O-N 3.36Å; A125-E129 PolarHBondContact O-N 2.62Å; A125-Q130 HydrophobicContact CB-CB 4.47Å; A125-Q130 PolarHBondContact N-O 3.47Å; A125-Q130 PolarHBondContact O-N 2.66Å; A125-M175 HydrophobicContact CB-CB 4.5Å; A125-M175 HydrophobicContact CB-CE 3.57Å; A125-M175 HydrophobicContact CB-SD 4.37Å; A125-N176 WeakPolarHBondContact CB-O 3.14Å; A125-S177 CarbonylContact C-O 3.51Å; A125-G179 VanDerWaalsContact CB-CA 3.4Å
126	K	95.6	Very high	96.8	Very high	108 Å²	108	39.4 Å²	39.4	47%	0.47	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-56.5	-45.3	-174	-174.5	178.2	176.8	179.7	0	114	Y124 R128 E129 S177	Y124-K126 HydrophobicContact CD1-CB 4.25Å; Y124-K126 HydrophobicContact CE1-CB 3.63Å; Y124-K126 HydrophobicContact CE1-CG 3.96Å; K126-R128 PolarHBondContact O-N 2.97Å; K126-E129 PolarHBondContact O-N 2.95Å; K126-S177 PolarHBondContact N-O 3.23Å
127	D	94.7	Very high	96.9	Very high	95 Å²	95	32.1 Å²	32.1	51%	0.508	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-68.6	-21.8	-173.9	-50.7	-26.1	0	0	0	112.1	A125 S177 S178	A125-D127 PolarHBondContact O-N 2.73Å; D127-S177 WeakPolarHBondContact CB-O 3.28Å; D127-S177 PolarHBondContact N-O 3.33Å; D127-S177 VanDerWaalsContact OD2-C 3.24Å; D127-S177 WeakPolarHBondContact OD2-CB 3.29Å; D127-S178 WeakPolarHBondContact OD2-CA 3.49Å; D127-S178 PolarHBondContact OD2-N 2.96Å; D127-S178 PolarHBondContact OD2-OG 2.92Å
128	R	92.5	Very high	97	Very high	93 Å²	93	35.5 Å²	35.5	35%	0.351	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-104.8	-6.1	177.6	-72.8	-162.4	-179.8	159.8	15.7	114.2	A125 K126 Q130 S178 G179	A125-R128 PolarHBondContact O-N 3.36Å; K126-R128 PolarHBondContact O-N 2.97Å; R128-Q130 HydrophobicContact CB-CB 4.21Å; R128-Q130 PolarHBondContact O-N 3.05Å; R128-S178 WeakPolarHBondContact CD-O 3.47Å; R128-S178 VanDerWaalsContact CZ-O 3.27Å; R128-S178 PolarHBondContact NE-O 3.11Å; R128-S178 PolarHBondContact NH2-O 2.9Å; R128-G179 PolarHBondContact NH1-O 3.42Å
129	E	94.8	Very high	97	Very high	30 Å²	30	34 Å²	34	14%	0.14	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	47.1	-170.2	-67.2	-68.1	165.5	0	0	111.3	C84 Y124 A125 K126 V145	C84-E129 WeakPolarHBondContact CA-OE1 3.42Å; C84-E129 PolarHBondContact N-OE1 3.47Å; C84-E129 PolarHBondContact N-OE2 2.87Å; C84-E129 PolarHBondContact SG-OE2 3.03Å; C84-E129 VanDerWaalsContact SG-OE2 3.4Å; Y124-E129 WeakPolarHBondContact CE2-OE2 3.43Å; Y124-E129 PolarHBondContact OH-OE1 3.1Å; Y124-E129 PolarHBondContact OH-OE2 2.77Å; A125-E129 PolarHBondContact O-N 2.62Å; K126-E129 PolarHBondContact O-N 2.95Å; E129-V145 HydrophobicContact CB-CB 4.18Å; E129-V145 WeakPolarHBondContact O-CB 3.33Å; E129-V145 VanDerWaalsContact O-CG2 3.25Å; E129-V145 WeakPolarHBondContact O-CG2 3.34Å; E129-V145 PolarHBondContact O-N 2.99Å
130	Q	95.7	Very high	97	Very high	35 Å²	35	34.1 Å²	34.1	16%	0.164	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.2	179.6	-172	176.4	44.8	0	0	110.4	Y124 A125 R128 W143	Y124-Q130 WeakPolarHBondContact CA-O 3.01Å; Y124-Q130 WeakPolarHBondContact CD2-O 3.48Å; A125-Q130 HydrophobicContact CB-CB 4.47Å; A125-Q130 PolarHBondContact N-O 3.47Å; A125-Q130 PolarHBondContact O-N 2.66Å; R128-Q130 HydrophobicContact CB-CB 4.21Å; R128-Q130 PolarHBondContact O-N 3.05Å; Q130-W143 WeakPolarHBondContact CA-O 3.46Å
131	L	96.7	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.6	-178.2	-179.3	153.2	0	0	0	110.5	L81 V90 L122 A123 L142 W143 V145	L81-L131 HydrophobicContact CD1-CD1 3.78Å; L81-L131 HydrophobicContact CD2-CD1 3.34Å; L81-L131 HydrophobicContact CD2-CG 3.73Å; L81-L131 HydrophobicContact CG-CD1 4.01Å; V90-L131 HydrophobicContact CB-CD1 3.67Å; V90-L131 HydrophobicContact CG1-CD1 3.57Å; V90-L131 HydrophobicContact CG2-CD1 3.68Å; L122-L131 HydrophobicContact CD2-CD2 4.06Å; A123-L131 CarbonylContact O-C 3.44Å; A123-L131 WeakPolarHBondContact O-CA 3.43Å; L131-L142 CarbonylContact O-C 3.55Å; L131-L142 WeakPolarHBondContact O-CA 3.01Å; L131-W143 HydrophobicContact CB-CB 4.27Å; L131-W143 HydrophobicContact CD2-CB 4.26Å; L131-W143 HydrophobicContact CD2-CG 3.87Å; L131-W143 PolarHBondContact N-O 2.94Å; L131-W143 PolarHBondContact O-N 3.16Å; L131-V145 HydrophobicContact CB-CG2 3.83Å
132	A	98.1	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.4	169.5	0	0	0	0	0	110.1	L122 A123 I140 F141 L142 L173 M175 V182	L122-A132 CarbonylContact C-O 3.56Å; L122-A132 WeakPolarHBondContact CA-O 3.32Å; A123-A132 HydrophobicContact CB-CB 4.41Å; A123-A132 PolarHBondContact N-O 2.77Å; A123-A132 PolarHBondContact O-N 2.92Å; A132-I140 HydrophobicContact CB-CG2 4.32Å; A132-F141 CarbonylContact C-O 3.51Å; A132-F141 VanDerWaalsContact CA-O 3.25Å; A132-F141 WeakPolarHBondContact CA-O 3.24Å; A132-L142 HydrophobicContact CB-CD2 3.64Å; A132-L173 HydrophobicContact CB-CD1 3.99Å; A132-M175 HydrophobicContact CB-SD 3.91Å; A132-V182 HydrophobicContact CB-CG1 4.5Å
133	S	98.3	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142	172.9	66.5	0	0	0	0	110.7	H115 A121 I140 F141 W143	H115-S133 WeakPolarHBondContact NE2-CB 3.49Å; H115-S133 PolarHBondContact NE2-OG 3.11Å; A121-S133 WeakPolarHBondContact O-CA 3.45Å; S133-I140 CarbonylContact O-C 3.58Å; S133-I140 VanDerWaalsContact O-CA 3.27Å; S133-I140 WeakPolarHBondContact O-CA 3.49Å; S133-F141 PolarHBondContact N-O 2.72Å; S133-F141 PolarHBondContact O-N 3.48Å; S133-W143 PolarHBondContact OG-NE1 3.01Å
134	A	98.4	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.7	178	0	0	0	0	0	112.9	V119 K120 A121 C139 I140 I170 L173	V119-A134 WeakPolarHBondContact CG1-O 3.23Å; K120-A134 PolarHBondContact N-O 2.61Å; A121-A134 PolarHBondContact N-O 3.47Å; A121-A134 PolarHBondContact O-N 3.04Å; A134-C139 VanDerWaalsContact CA-O 3.3Å; A134-C139 WeakPolarHBondContact CA-O 3.1Å; A134-C139 WeakPolarHBondContact CB-O 3.4Å; A134-I140 HydrophobicContact CB-CB 4.47Å; A134-I140 HydrophobicContact CB-CG1 3.94Å; A134-I170 HydrophobicContact CB-CB 3.9Å; A134-I170 HydrophobicContact CB-CD1 3.94Å; A134-I170 HydrophobicContact CB-CG2 3.57Å; A134-L173 HydrophobicContact CB-CD1 3.57Å; A134-L173 HydrophobicContact CB-CD2 3.98Å; A134-L173 HydrophobicContact CB-CG 3.83Å
135	G	97.8	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	-159.4	-174.7	0	0	0	0	0	115.6	Y118 D137 R138 I170	Y118-G135 CarbonylContact O-C 3.55Å; Y118-G135 WeakPolarHBondContact O-CA 3.5Å; G135-D137 PolarHBondContact O-N 3.18Å; G135-R138 PolarHBondContact O-N 3.05Å; G135-I170 PolarHBondContact O-N 2.57Å
136	L	97.4	Very high	96	Very high	30 Å²	30	37.4 Å²	37.4	16%	0.157	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20	-177.7	-58.3	-171.9	0	0	0	113	D117 Y118 K120 R138 S169 Y171	D117-L136 HydrophobicContact CB-CB 4.05Å; D117-L136 WeakPolarHBondContact OD2-CB 3.5Å; Y118-L136 HydrophobicContact CD2-CD1 3.91Å; Y118-L136 HydrophobicContact CG-CD1 4.06Å; Y118-L136 PolarHBondContact O-N 3.15Å; K120-L136 HydrophobicContact CG-CD2 4.04Å; K120-L136 HydrophobicContact CG-CG 4.26Å; L136-R138 WeakPolarHBondContact O-CG 3.46Å; L136-R138 PolarHBondContact O-N 3.2Å; L136-R138 VanDerWaalsContact O-N 3.15Å; L136-S169 PolarHBondContact O-OG 2.86Å; L136-S169 VanDerWaalsContact O-OG 3.13Å; L136-Y171 HydrophobicContact CD2-CE1 3.98Å; L136-Y171 HydrophobicContact CD2-CE2 4.44Å
137	D	96	Very high	95.7	Very high	29 Å²	29	34 Å²	34	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	0.3	173	67.7	-1.1	0	0	0	113.7	H115 K116 D117 G135 C139	H115-D137 WeakPolarHBondContact CA-OD2 3.34Å; H115-D137 WeakPolarHBondContact CB-OD2 3.07Å; H115-D137 IonicContact CE1-OD1 3.74Å; H115-D137 IonicContact CG-OD2 3.03Å; H115-D137 IonicContact ND1-OD1 3.22Å; H115-D137 PolarHBondContact ND1-OD1 3.3Å; H115-D137 VanDerWaalsContact ND1-OD1 3.17Å; H115-D137 IonicContact ND1-OD2 3.35Å; H115-D137 PolarHBondContact ND1-OD2 2.91Å; K116-D137 HydrophobicContact CB-CB 4.3Å; K116-D137 PolarHBondContact N-OD2 2.85Å; D117-D137 HydrophobicContact CB-CB 3.81Å; G135-D137 PolarHBondContact O-N 3.18Å; D137-C139 PolarHBondContact O-N 3Å; D137-C139 VanDerWaalsContact O-N 3.15Å; D137-C139 PolarHBondContact OD1-N 2.98Å; D137-C139 VanDerWaalsContact OD1-N 3.13Å
138	R	96.9	Very high	95.5	Very high	135 Å²	135	29.8 Å²	29.8	51%	0.509	14%	0.143	S	C	.	.			trans	68	7.9	174.8	-39.9	176.3	-177.4	154.1	2.5	113.2	G135 L136 S166	G135-R138 PolarHBondContact O-N 3.05Å; L136-R138 WeakPolarHBondContact O-CG 3.46Å; L136-R138 PolarHBondContact O-N 3.2Å; L136-R138 VanDerWaalsContact O-N 3.15Å; R138-S166 WeakPolarHBondContact O-CB 3.45Å
139	C	96.6	Very high	95.3	Very high	49 Å²	49	26.6 Å²	26.6	33%	0.331	13%	0.134	S	C	.	.			trans	-92.4	146.7	179.4	-66.4	0	0	0	0	110.5	A134 D137 F141	A134-C139 VanDerWaalsContact CA-O 3.3Å; A134-C139 WeakPolarHBondContact CA-O 3.1Å; A134-C139 WeakPolarHBondContact CB-O 3.4Å; D137-C139 PolarHBondContact O-N 3Å; D137-C139 VanDerWaalsContact O-N 3.15Å; D137-C139 PolarHBondContact OD1-N 2.98Å; D137-C139 VanDerWaalsContact OD1-N 3.13Å; C139-F141 HydrophobicContact CB-CD2 4.27Å; C139-F141 HydrophobicContact CB-CE2 3.66Å; C139-F141 HydrophobicContact CB-CZ 4.05Å
140	I	98	Very high	95	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.5	164.3	-51.3	174.6	0	0	0	106.9	A132 S133 A134 S162 L163 I170 L173 W194	A132-I140 HydrophobicContact CB-CG2 4.32Å; S133-I140 CarbonylContact O-C 3.58Å; S133-I140 VanDerWaalsContact O-CA 3.27Å; S133-I140 WeakPolarHBondContact O-CA 3.49Å; A134-I140 HydrophobicContact CB-CB 4.47Å; A134-I140 HydrophobicContact CB-CG1 3.94Å; I140-S162 CarbonylContact O-C 3.59Å; I140-S162 VanDerWaalsContact O-CA 3.31Å; I140-S162 WeakPolarHBondContact O-CA 3.42Å; I140-L163 HydrophobicContact CB-CB 4.07Å; I140-L163 HydrophobicContact CD1-CB 4.43Å; I140-L163 HydrophobicContact CG2-CB 4.43Å; I140-L163 HydrophobicContact CG2-CD1 4.03Å; I140-L163 HydrophobicContact CG2-CG 4.4Å; I140-L163 PolarHBondContact O-N 3.19Å; I140-I170 HydrophobicContact CD1-CD1 3.88Å; I140-I170 HydrophobicContact CG1-CD1 3.38Å; I140-L173 HydrophobicContact CD1-CD2 4.07Å; I140-L173 HydrophobicContact CG1-CD2 4.4Å; I140-L173 HydrophobicContact CG2-CD1 4.48Å; I140-L173 HydrophobicContact CG2-CD2 4.38Å; I140-W194 HydrophobicContact CD1-CE3 4.31Å; I140-W194 HydrophobicContact CD1-CH2 3.58Å; I140-W194 HydrophobicContact CD1-CZ2 4.2Å; I140-W194 HydrophobicContact CD1-CZ3 3.66Å
141	F	97.5	Very high	94.3	Very high	31 Å²	31	27.3 Å²	27.3	14%	0.136	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.1	172.9	-65.2	-77.5	0	0	0	110	H115 A132 S133 C139 W143 S161	H115-F141 AromaticContact CD2-CD2 3.98Å; H115-F141 AromaticContact CE1-CD2 3.45Å; H115-F141 VanDerWaalsContact CE1-CD2 3.45Å; H115-F141 WeakPolarHBondContact CE1-CD2 3.21Å; H115-F141 AromaticContact CE1-CE2 3.8Å; H115-F141 AromaticContact ND1-CD2 3.87Å; H115-F141 AromaticContact ND1-CE2 3.76Å; H115-F141 AromaticContact NE2-CD2 3.51Å; A132-F141 CarbonylContact C-O 3.51Å; A132-F141 VanDerWaalsContact CA-O 3.25Å; A132-F141 WeakPolarHBondContact CA-O 3.24Å; S133-F141 PolarHBondContact N-O 2.72Å; S133-F141 PolarHBondContact O-N 3.48Å; C139-F141 HydrophobicContact CB-CD2 4.27Å; C139-F141 HydrophobicContact CB-CE2 3.66Å; C139-F141 HydrophobicContact CB-CZ 4.05Å; F141-W143 HydrophobicContact CB-CZ2 3.68Å; F141-W143 HydrophobicContact CG-CZ2 4.26Å; F141-W143 VanDerWaalsContact O-CD1 3.29Å; F141-W143 PolarHBondContact O-NE1 3.02Å; F141-S161 CarbonylContact C-O 3.32Å; F141-S161 WeakPolarHBondContact CA-O 3.45Å
142	L	97	Very high	93.3	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.2	170.2	-57.9	-179.6	0	0	0	110	L131 A132 T160 S161 L163 V182 P196	L131-L142 CarbonylContact O-C 3.55Å; L131-L142 WeakPolarHBondContact O-CA 3.01Å; A132-L142 HydrophobicContact CB-CD2 3.64Å; L142-T160 WeakPolarHBondContact O-CA 3.02Å; L142-S161 WeakPolarHBondContact CB-OG 3.33Å; L142-S161 PolarHBondContact N-O 2.72Å; L142-S161 PolarHBondContact O-N 2.84Å; L142-L163 HydrophobicContact CD1-CD1 4.26Å; L142-L163 HydrophobicContact CD1-CD2 3.88Å; L142-L163 HydrophobicContact CD1-CG 4.07Å; L142-L163 HydrophobicContact CD2-CD1 4.06Å; L142-L163 HydrophobicContact CD2-CG 4.43Å; L142-L163 HydrophobicContact CG-CD1 4.28Å; L142-L163 HydrophobicContact CG-CD2 4.46Å; L142-L163 HydrophobicContact CG-CG 4.13Å; L142-V182 HydrophobicContact CD2-CG2 4.23Å; L142-P196 HydrophobicContact CD1-CB 3.6Å
143	W	95.4	Very high	91.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135	-173.1	-43.6	79.7	0	0	0	109.7	L112 T114 Q130 L131 S133 F141 L148 I158 T160	L112-W143 HydrophobicContact CB-CH2 3.73Å; L112-W143 HydrophobicContact CB-CZ3 3.93Å; L112-W143 HydrophobicContact CD1-CD2 4.27Å; L112-W143 HydrophobicContact CD1-CE3 3.77Å; L112-W143 HydrophobicContact CD1-CH2 3.87Å; L112-W143 HydrophobicContact CD1-CZ2 4.41Å; L112-W143 HydrophobicContact CD1-CZ3 3.54Å; L112-W143 HydrophobicContact CD2-CZ3 4.19Å; L112-W143 HydrophobicContact CG-CH2 4.32Å; L112-W143 HydrophobicContact CG-CZ3 4.07Å; T114-W143 HydrophobicContact CG2-CH2 3.45Å; T114-W143 VanDerWaalsContact CG2-CH2 3.45Å; T114-W143 HydrophobicContact CG2-CZ2 4.37Å; T114-W143 HydrophobicContact CG2-CZ3 4.05Å; T114-W143 WeakPolarHBondContact OG1-CH2 3.46Å; T114-W143 WeakPolarHBondContact OG1-CZ2 3.3Å; Q130-W143 WeakPolarHBondContact CA-O 3.46Å; L131-W143 HydrophobicContact CB-CB 4.27Å; L131-W143 HydrophobicContact CD2-CB 4.26Å; L131-W143 HydrophobicContact CD2-CG 3.87Å; L131-W143 PolarHBondContact N-O 2.94Å; L131-W143 PolarHBondContact O-N 3.16Å; S133-W143 PolarHBondContact OG-NE1 3.01Å; F141-W143 HydrophobicContact CB-CZ2 3.68Å; F141-W143 HydrophobicContact CG-CZ2 4.26Å; F141-W143 VanDerWaalsContact O-CD1 3.29Å; F141-W143 PolarHBondContact O-NE1 3.02Å; W143-L148 HydrophobicContact CB-CD1 3.63Å; W143-L148 HydrophobicContact CB-CG 4.23Å; W143-L148 HydrophobicContact CD2-CD1 4.43Å; W143-L148 HydrophobicContact CE3-CD1 4.36Å; W143-L148 HydrophobicContact CE3-CD2 3.99Å; W143-L148 HydrophobicContact CG-CD1 4.18Å; W143-I158 HydrophobicContact CE3-CG2 4.02Å; W143-I158 HydrophobicContact CZ3-CG2 3.53Å; W143-T160 HydrophobicContact CD2-CG2 3.77Å; W143-T160 HydrophobicContact CE3-CG2 3.21Å; W143-T160 HydrophobicContact CH2-CG2 3.71Å; W143-T160 HydrophobicContact CZ2-CG2 4.17Å; W143-T160 HydrophobicContact CZ3-CG2 3.18Å
144	D	93.3	Very high	90.3	Very high	57 Å²	57	41.9 Å²	41.9	31%	0.305	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.1	165.5	169.3	30.1	0	0	0	109.1	N146 T147 L148	D144-N146 VanDerWaalsContact C-N 3.26Å; D144-N146 PolarHBondContact O-N 3.04Å; D144-N146 WeakPolarHBondContact OD1-CB 3.48Å; D144-N146 PolarHBondContact OD1-N 3.21Å; D144-N146 PolarHBondContact OD1-ND2 3.28Å; D144-T147 PolarHBondContact O-N 3.08Å; D144-T147 WeakPolarHBondContact OD2-CB 3.42Å; D144-T147 PolarHBondContact OD2-N 3.07Å; D144-T147 VanDerWaalsContact OD2-N 3.11Å; D144-T147 PolarHBondContact OD2-OG1 3.18Å; D144-L148 WeakPolarHBondContact O-CG 3.38Å; D144-L148 PolarHBondContact O-N 3.44Å
145	V	93.1	Very high	89.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-31.6	-177.4	175.1	0	0	0	0	111.1	C83 C84 Y124 E129 L131 L148 T149	C83-V145 HydrophobicContact CB-CG1 3.93Å; C83-V145 WeakPolarHBondContact SG-CG1 3.28Å; C84-V145 WeakPolarHBondContact SG-CG1 2.98Å; Y124-V145 HydrophobicContact CD2-CG2 4.44Å; Y124-V145 HydrophobicContact CE2-CG2 4.13Å; E129-V145 HydrophobicContact CB-CB 4.18Å; E129-V145 WeakPolarHBondContact O-CB 3.33Å; E129-V145 VanDerWaalsContact O-CG2 3.25Å; E129-V145 WeakPolarHBondContact O-CG2 3.34Å; E129-V145 PolarHBondContact O-N 2.99Å; L131-V145 HydrophobicContact CB-CG2 3.83Å; V145-L148 PolarHBondContact O-N 3.5Å; V145-T149 HydrophobicContact CG1-CG2 3.95Å; V145-T149 WeakPolarHBondContact O-CB 3.3Å; V145-T149 VanDerWaalsContact O-CG2 3.3Å; V145-T149 WeakPolarHBondContact O-CG2 3.32Å; V145-T149 PolarHBondContact O-N 3.22Å; V145-T149 PolarHBondContact O-OG1 3.32Å
146	N	91.5	Very high	87.7	Confident	86 Å²	86	50.4 Å²	50.4	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-44.7	177.3	-59.9	-63.5	0	0	0	110.7	D144 T149 A150	D144-N146 VanDerWaalsContact C-N 3.26Å; D144-N146 PolarHBondContact O-N 3.04Å; D144-N146 WeakPolarHBondContact OD1-CB 3.48Å; D144-N146 PolarHBondContact OD1-N 3.21Å; D144-N146 PolarHBondContact OD1-ND2 3.28Å; N146-T149 PolarHBondContact O-N 3.17Å; N146-T149 PolarHBondContact O-OG1 2.88Å; N146-A150 VanDerWaalsContact O-CB 3.22Å; N146-A150 WeakPolarHBondContact O-CB 3.27Å; N146-A150 PolarHBondContact O-N 3.04Å
147	T	91	Very high	86.5	Confident	38 Å²	38	53.7 Å²	53.7	23%	0.233	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-48.1	171.9	-62.8	0	0	0	0	111.3	D144 T149 A150 L151	D144-T147 PolarHBondContact O-N 3.08Å; D144-T147 WeakPolarHBondContact OD2-CB 3.42Å; D144-T147 PolarHBondContact OD2-N 3.07Å; D144-T147 VanDerWaalsContact OD2-N 3.11Å; D144-T147 PolarHBondContact OD2-OG1 3.18Å; T147-T149 VanDerWaalsContact C-N 3.33Å; T147-T149 PolarHBondContact O-N 2.93Å; T147-A150 PolarHBondContact O-N 2.91Å; T147-L151 WeakPolarHBondContact O-CG 3.21Å; T147-L151 PolarHBondContact O-N 3.01Å
148	L	90.1	Very high	85.5	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-38.2	-179	-76.1	-172.4	0	0	0	114	V100 L112 W143 D144 V145 L151	V100-L148 HydrophobicContact CG2-CB 4.16Å; V100-L148 HydrophobicContact CG2-CD1 4.12Å; L112-L148 HydrophobicContact CD1-CD1 3.96Å; L112-L148 HydrophobicContact CD1-CD2 3.59Å; L112-L148 HydrophobicContact CD1-CG 4.44Å; L112-L148 HydrophobicContact CD2-CD2 3.71Å; L112-L148 HydrophobicContact CG-CD2 4.3Å; W143-L148 HydrophobicContact CB-CD1 3.63Å; W143-L148 HydrophobicContact CB-CG 4.23Å; W143-L148 HydrophobicContact CD2-CD1 4.43Å; W143-L148 HydrophobicContact CE3-CD1 4.36Å; W143-L148 HydrophobicContact CE3-CD2 3.99Å; W143-L148 HydrophobicContact CG-CD1 4.18Å; D144-L148 WeakPolarHBondContact O-CG 3.38Å; D144-L148 PolarHBondContact O-N 3.44Å; V145-L148 PolarHBondContact O-N 3.5Å; L148-L151 HydrophobicContact CD2-CD1 4.24Å; L148-L151 WeakPolarHBondContact O-CG 3.4Å
149	T	87.6	Confident	84.5	Confident	27 Å²	27	53.1 Å²	53.1	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-85.5	-15.4	-177.7	55.4	0	0	0	0	113.1	H88 V100 M109 V145 N146 T147	H88-T149 HydrophobicContact CB-CG2 3.99Å; H88-T149 VanDerWaalsContact CD2-CG2 3.47Å; H88-T149 WeakPolarHBondContact CD2-CG2 3.38Å; H88-T149 VanDerWaalsContact CG-CG2 3.48Å; V100-T149 HydrophobicContact CG1-CG2 4.16Å; M109-T149 VanDerWaalsContact CE-O 3.3Å; M109-T149 WeakPolarHBondContact CE-O 3.38Å; V145-T149 HydrophobicContact CG1-CG2 3.95Å; V145-T149 WeakPolarHBondContact O-CB 3.3Å; V145-T149 VanDerWaalsContact O-CG2 3.3Å; V145-T149 WeakPolarHBondContact O-CG2 3.32Å; V145-T149 PolarHBondContact O-N 3.22Å; V145-T149 PolarHBondContact O-OG1 3.32Å; N146-T149 PolarHBondContact O-N 3.17Å; N146-T149 PolarHBondContact O-OG1 2.88Å; T147-T149 VanDerWaalsContact C-N 3.33Å; T147-T149 PolarHBondContact O-N 2.93Å
150	A	87.6	Confident	84	Confident	54 Å²	54	53.5 Å²	53.5	45%	0.446	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.9	173.9	0	0	0	0	0	113.9	N146 T147 T152	N146-A150 VanDerWaalsContact O-CB 3.22Å; N146-A150 WeakPolarHBondContact O-CB 3.27Å; N146-A150 PolarHBondContact O-N 3.04Å; T147-A150 PolarHBondContact O-N 2.91Å; A150-T152 PolarHBondContact O-N 2.97Å
151	L	81.9	Confident	83.6	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.136	35%	0.345	C	S	.	.			trans	-60.8	132.5	177.3	-66.2	174.9	0	0	0	110.7	L112 T147 L148 N155 I158	L112-L151 HydrophobicContact CD2-CD1 4.37Å; T147-L151 WeakPolarHBondContact O-CG 3.21Å; T147-L151 PolarHBondContact O-N 3.01Å; L148-L151 HydrophobicContact CD2-CD1 4.24Å; L148-L151 WeakPolarHBondContact O-CG 3.4Å; L151-N155 VanDerWaalsContact CA-O 3.29Å; L151-N155 WeakPolarHBondContact CA-O 3.38Å; L151-N155 VanDerWaalsContact CD2-O 3.29Å; L151-N155 WeakPolarHBondContact CD2-O 3.48Å; L151-I158 HydrophobicContact CD1-CG1 4.18Å; L151-I158 HydrophobicContact CD2-CG1 4.35Å
152	T	75.5	Confident	83.3	Confident	72 Å²	72	56.6 Å²	56.6	44%	0.442	36%	0.356	S	S	.	.			trans	-134.6	172.3	175.7	67.1	0	0	0	0	109.6	A150 S154 N155	A150-T152 PolarHBondContact O-N 2.97Å; T152-S154 PolarHBondContact O-N 3.06Å; T152-S154 VanDerWaalsContact O-N 3.16Å; T152-S154 PolarHBondContact OG1-N 3.29Å; T152-S154 PolarHBondContact OG1-OG 3.38Å; T152-N155 PolarHBondContact N-O 3.27Å; T152-N155 CarbonylContact O-C 3.58Å; T152-N155 PolarHBondContact O-N 3.5Å; T152-N155 VanDerWaalsContact O-N 3.08Å; T152-N155 WeakPolarHBondContact OG1-CB 3.38Å; T152-N155 PolarHBondContact OG1-N 3.25Å
153	A	65.9	Low	83	Confident	116 Å²	116	56.6 Å²	56.6	96%	0.959	36%	0.357	S	S	*	.	S	Bend	trans	-56	-29.7	172.5	0	0	0	0	0	112.9
154	S	68.3	Low	82.6	Confident	117 Å²	117	62.2 Å²	62.2	82%	0.818	39%	0.387	S	S	*	.	S	Bend	trans	-89.7	-21.8	176.3	55.9	0	0	0	0	114.1	T152	T152-S154 PolarHBondContact O-N 3.06Å; T152-S154 VanDerWaalsContact O-N 3.16Å; T152-S154 PolarHBondContact OG1-N 3.29Å; T152-S154 PolarHBondContact OG1-OG 3.38Å
155	N	71.9	Confident	82.2	Confident	63 Å²	63	61 Å²	61	34%	0.337	39%	0.387	S	S	.	.			trans	-122.4	80.8	179.9	-174.8	20.7	0	0	0	110.3	L151 T152 T157	L151-N155 VanDerWaalsContact CA-O 3.29Å; L151-N155 WeakPolarHBondContact CA-O 3.38Å; L151-N155 VanDerWaalsContact CD2-O 3.29Å; L151-N155 WeakPolarHBondContact CD2-O 3.48Å; T152-N155 PolarHBondContact N-O 3.27Å; T152-N155 CarbonylContact O-C 3.58Å; T152-N155 PolarHBondContact O-N 3.5Å; T152-N155 VanDerWaalsContact O-N 3.08Å; T152-N155 WeakPolarHBondContact OG1-CB 3.38Å; T152-N155 PolarHBondContact OG1-N 3.25Å; N155-T157 PolarHBondContact OD1-OG1 3.08Å
156	N	69.1	Low	82	Confident	117 Å²	117	61.9 Å²	61.9	63%	0.626	39%	0.394	S	S	*	.			trans	-110.4	18.3	-179.5	-163.1	28	0	0	0	112.7	I158	N156-I158 PolarHBondContact O-N 3.02Å; N156-I158 VanDerWaalsContact O-N 3.16Å
157	T	71.9	Confident	81.9	Confident	98 Å²	98	65 Å²	65	60%	0.601	40%	0.403	S	S	*	.			trans	-79.2	99	178.7	44.8	0	0	0	0	110	N155 T159	N155-T157 PolarHBondContact OD1-OG1 3.08Å; T157-T159 PolarHBondContact O-N 2.73Å
158	I	76.3	Confident	82.2	Confident	61 Å²	61	65.8 Å²	65.8	31%	0.313	41%	0.406	S	S	.	.			trans	-83.2	113.1	174.6	-62.4	164.4	0	0	0	108.1	L112 W143 L151 N156 T160	L112-I158 HydrophobicContact CD2-CD1 3.51Å; L112-I158 HydrophobicContact CD2-CG1 4.07Å; L112-I158 HydrophobicContact CD2-CG2 4.43Å; W143-I158 HydrophobicContact CE3-CG2 4.02Å; W143-I158 HydrophobicContact CZ3-CG2 3.53Å; L151-I158 HydrophobicContact CD1-CG1 4.18Å; L151-I158 HydrophobicContact CD2-CG1 4.35Å; N156-I158 PolarHBondContact O-N 3.02Å; N156-I158 VanDerWaalsContact O-N 3.16Å; I158-T160 HydrophobicContact CG2-CG2 3.93Å
159	T	75.6	Confident	82.6	Confident	92 Å²	92	66.4 Å²	66.4	56%	0.564	41%	0.411	S	S	*	.			trans	-93.1	127.5	168.6	56.5	0	0	0	0	109.4	T157	T157-T159 PolarHBondContact O-N 2.73Å
160	T	84.7	Confident	83.1	Confident	56 Å²	56	65.1 Å²	65.1	34%	0.344	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.1	171	62	0	0	0	0	109.5	L142 W143 I158	L142-T160 WeakPolarHBondContact O-CA 3.02Å; W143-T160 HydrophobicContact CD2-CG2 3.77Å; W143-T160 HydrophobicContact CE3-CG2 3.21Å; W143-T160 HydrophobicContact CH2-CG2 3.71Å; W143-T160 HydrophobicContact CZ2-CG2 4.17Å; W143-T160 HydrophobicContact CZ3-CG2 3.18Å; I158-T160 HydrophobicContact CG2-CG2 3.93Å
161	S	89.6	Confident	83.6	Confident	44 Å²	44	65.7 Å²	65.7	31%	0.308	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	148.9	161.2	59.8	0	0	0	0	109.2	F141 L142	F141-S161 CarbonylContact C-O 3.32Å; F141-S161 WeakPolarHBondContact CA-O 3.45Å; L142-S161 WeakPolarHBondContact CB-OG 3.33Å; L142-S161 PolarHBondContact N-O 2.72Å; L142-S161 PolarHBondContact O-N 2.84Å
162	S	91.3	Very high	84.4	Confident	53 Å²	53	64.8 Å²	64.8	37%	0.371	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.4	179.9	61.5	0	0	0	0	110.7	I140 N164	I140-S162 CarbonylContact O-C 3.59Å; I140-S162 VanDerWaalsContact O-CA 3.31Å; I140-S162 WeakPolarHBondContact O-CA 3.42Å; S162-N164 PolarHBondContact O-N 3.46Å
163	L	92	Very high	85.5	Confident	4 Å²	4	62 Å²	62	2%	0.021	37%	0.372	C	S	.	.			trans	-88.9	108.7	170.5	-56.3	178.1	0	0	0	109.7	I140 L142 V182 W194 C199	I140-L163 HydrophobicContact CB-CB 4.07Å; I140-L163 HydrophobicContact CD1-CB 4.43Å; I140-L163 HydrophobicContact CG2-CB 4.43Å; I140-L163 HydrophobicContact CG2-CD1 4.03Å; I140-L163 HydrophobicContact CG2-CG 4.4Å; I140-L163 PolarHBondContact O-N 3.19Å; L142-L163 HydrophobicContact CD1-CD1 4.26Å; L142-L163 HydrophobicContact CD1-CD2 3.88Å; L142-L163 HydrophobicContact CD1-CG 4.07Å; L142-L163 HydrophobicContact CD2-CD1 4.06Å; L142-L163 HydrophobicContact CD2-CG 4.43Å; L142-L163 HydrophobicContact CG-CD1 4.28Å; L142-L163 HydrophobicContact CG-CD2 4.46Å; L142-L163 HydrophobicContact CG-CG 4.13Å; L163-V182 HydrophobicContact CD1-CB 3.94Å; L163-V182 HydrophobicContact CD1-CG1 3.87Å; L163-V182 HydrophobicContact CD1-CG2 4.14Å; L163-W194 HydrophobicContact CB-CD2 4.27Å; L163-W194 HydrophobicContact CB-CG 4.15Å; L163-W194 HydrophobicContact CD1-CB 3.91Å; L163-W194 HydrophobicContact CD1-CD2 4.26Å; L163-W194 HydrophobicContact CD1-CE3 4.5Å; L163-W194 HydrophobicContact CD1-CG 4.01Å; L163-W194 HydrophobicContact CD2-CB 4.19Å; L163-W194 HydrophobicContact CD2-CG 4.31Å; L163-W194 HydrophobicContact CG-CG 4.41Å; L163-C199 HydrophobicContact CD2-CB 3.84Å
164	N	87.3	Confident	87.1	Confident	119 Å²	119	56.8 Å²	56.8	64%	0.636	33%	0.329	S	S	*	.			trans	-83.3	153.5	-177.9	-69.2	-38.7	0	0	0	112.3	S162 W194	S162-N164 PolarHBondContact O-N 3.46Å; N164-W194 PolarHBondContact O-NE1 3.49Å
165	G	84.2	Confident	88.5	Confident	31 Å²	31	52 Å²	52	32%	0.32	30%	0.295	S	S	.	.			trans	117.7	-5.7	168	0	0	0	0	0	116.2	R192	G165-R192 PolarHBondContact O-NE 2.73Å; G165-R192 PolarHBondContact O-NH2 3.13Å
166	S	88.3	Confident	89.7	Confident	21 Å²	21	49.2 Å²	49.2	15%	0.147	28%	0.279	C	S	.	.			trans	-69.4	131.8	165.9	-60.7	0	0	0	0	110	R138 W194	R138-S166 WeakPolarHBondContact O-CB 3.45Å; S166-W194 WeakPolarHBondContact OG-CH2 3.35Å
167	K	90.8	Very high	91	Very high	151 Å²	151	45.4 Å²	45.4	66%	0.657	26%	0.262	S	S	*	.			trans	-107.5	-13.5	-176	-53.3	-175.8	169.9	-164.4	0	112.8	E188	K167-E188 WeakPolarHBondContact CA-OE1 3.3Å; K167-E188 VanDerWaalsContact CB-CD 3.49Å; K167-E188 HydrophobicContact CB-CG 4.09Å; K167-E188 VanDerWaalsContact CB-OE1 3.25Å; K167-E188 WeakPolarHBondContact CB-OE1 3.45Å; K167-E188 PolarHBondContact N-OE1 3.49Å
168	D	97	Very high	92.1	Very high	54 Å²	54	43 Å²	43	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	-142.4	171.9	-177	-146.9	-23.6	0	0	0	111.2	A187 E188	D168-A187 HydrophobicContact CB-CB 4.19Å; D168-E188 HydrophobicContact CB-CB 4.41Å; D168-E188 HydrophobicContact CB-CG 3.47Å; D168-E188 VanDerWaalsContact CB-CG 3.47Å
169	S	97.9	Very high	93	Very high	18 Å²	18	40.1 Å²	40.1	13%	0.126	23%	0.234	C	C	.	.			trans	-59.5	137.1	-177.1	-64.2	0	0	0	0	112	L136 Y171 S186 A187	L136-S169 PolarHBondContact O-OG 2.86Å; L136-S169 VanDerWaalsContact O-OG 3.13Å; S169-Y171 WeakPolarHBondContact O-CD2 3.46Å; S169-S186 CarbonylContact O-C 3.57Å; S169-S186 VanDerWaalsContact O-CA 3.24Å; S169-S186 WeakPolarHBondContact O-CA 3.36Å; S169-S186 VanDerWaalsContact O-CB 3.25Å; S169-S186 WeakPolarHBondContact O-CB 3.41Å; S169-A187 PolarHBondContact O-N 3.47Å
170	I	98.6	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	-174.6	-57.4	170.6	0	0	0	108.7	A134 G135 I140 L173	A134-I170 HydrophobicContact CB-CB 3.9Å; A134-I170 HydrophobicContact CB-CD1 3.94Å; A134-I170 HydrophobicContact CB-CG2 3.57Å; G135-I170 PolarHBondContact O-N 2.57Å; I140-I170 HydrophobicContact CD1-CD1 3.88Å; I140-I170 HydrophobicContact CG1-CD1 3.38Å; I170-L173 HydrophobicContact CG2-CD2 4.23Å
171	Y	98.6	Very high	94.5	Very high	67 Å²	67	35.7 Å²	35.7	26%	0.263	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-17.9	-175.8	-70.8	-88.3	0	0	0	113.5	L136 S169 G185 A187 V211 K213	L136-Y171 HydrophobicContact CD2-CE1 3.98Å; L136-Y171 HydrophobicContact CD2-CE2 4.44Å; S169-Y171 WeakPolarHBondContact O-CD2 3.46Å; Y171-G185 PolarHBondContact N-O 3.43Å; Y171-A187 HydrophobicContact CE2-CB 4.11Å; Y171-V211 HydrophobicContact CD2-CG1 3.34Å; Y171-V211 HydrophobicContact CE2-CG1 3.79Å; Y171-V211 HydrophobicContact CG-CG1 3.82Å; Y171-K213 HydrophobicContact CD1-CD 4.48Å; Y171-K213 HydrophobicContact CG-CD 4.43Å
172	S	98.7	Very high	94.9	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.1	177.1	49.2	0	0	0	0	111.3	S184 G185 V212 K213	S172-S184 WeakPolarHBondContact O-CA 3.34Å; S172-G185 PolarHBondContact N-O 2.9Å; S172-G185 PolarHBondContact O-N 3.38Å; S172-G185 WeakPolarHBondContact OG-CA 3.33Å; S172-V212 PolarHBondContact OG-O 2.94Å; S172-V212 VanDerWaalsContact OG-O 3.08Å; S172-K213 WeakPolarHBondContact CB-O 3.48Å
173	L	98.6	Very high	95.3	Very high	13 Å²	13	31.1 Å²	31.1	7%	0.068	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	170.8	-72.4	178.9	0	0	0	109.1	A121 A123 A132 A134 I140 I170 V182 I183	A121-L173 HydrophobicContact CB-CB 4.16Å; A121-L173 HydrophobicContact CB-CD1 4.36Å; A121-L173 HydrophobicContact CB-CG 3.96Å; A123-L173 HydrophobicContact CB-CB 3.64Å; A132-L173 HydrophobicContact CB-CD1 3.99Å; A134-L173 HydrophobicContact CB-CD1 3.57Å; A134-L173 HydrophobicContact CB-CD2 3.98Å; A134-L173 HydrophobicContact CB-CG 3.83Å; I140-L173 HydrophobicContact CD1-CD2 4.07Å; I140-L173 HydrophobicContact CG1-CD2 4.4Å; I140-L173 HydrophobicContact CG2-CD1 4.48Å; I140-L173 HydrophobicContact CG2-CD2 4.38Å; I170-L173 HydrophobicContact CG2-CD2 4.23Å; L173-V182 HydrophobicContact CD2-CG1 4.46Å; L173-I183 CarbonylContact C-O 3.48Å; L173-I183 VanDerWaalsContact CA-O 3.28Å; L173-I183 WeakPolarHBondContact CA-O 3.44Å
174	G	98.2	Very high	95.6	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.1	170	0	0	0	0	0	110.9	V182 I183	G174-V182 WeakPolarHBondContact O-CA 3.47Å; G174-I183 PolarHBondContact N-O 2.99Å; G174-I183 PolarHBondContact O-N 2.83Å
175	M	98.4	Very high	96.1	Very high	18 Å²	18	25.2 Å²	25.2	9%	0.089	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.5	172.6	-72.5	-178.9	81.8	0	0	108.9	A123 A125 A132 V181 V182 P196	A123-M175 HydrophobicContact CB-CB 4.14Å; A123-M175 HydrophobicContact CB-CG 3.69Å; A123-M175 HydrophobicContact CB-SD 4.1Å; A125-M175 HydrophobicContact CB-CB 4.5Å; A125-M175 HydrophobicContact CB-CE 3.57Å; A125-M175 HydrophobicContact CB-SD 4.37Å; A132-M175 HydrophobicContact CB-SD 3.91Å; M175-V181 WeakPolarHBondContact CA-O 3.31Å; M175-V182 HydrophobicContact CE-CG2 3.67Å; M175-V182 HydrophobicContact CG-CB 4.34Å; M175-V182 HydrophobicContact CG-CG1 4.4Å; M175-V182 HydrophobicContact CG-CG2 3.77Å; M175-V182 HydrophobicContact SD-CG2 3.95Å; M175-P196 HydrophobicContact CE-CG 4.38Å
176	N	97.1	Very high	96.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.129	C	C	.	.			trans	-85.1	160	166.2	73.7	-47.8	0	0	0	110.7	A125 S178 G179 T180 V181 V217 S218 R219	A125-N176 WeakPolarHBondContact CB-O 3.14Å; N176-S178 PolarHBondContact O-N 3.3Å; N176-S178 VanDerWaalsContact O-N 3.16Å; N176-G179 PolarHBondContact O-N 2.94Å; N176-G179 PolarHBondContact OD1-N 3.25Å; N176-T180 PolarHBondContact ND2-OG1 3.48Å; N176-T180 PolarHBondContact OD1-N 2.95Å; N176-T180 PolarHBondContact OD1-OG1 3.13Å; N176-V181 HydrophobicContact CB-CG2 4.13Å; N176-V181 WeakPolarHBondContact OD1-CG2 3.45Å; N176-V181 PolarHBondContact OD1-N 2.95Å; N176-V181 VanDerWaalsContact OD1-N 3.13Å; N176-V217 HydrophobicContact CB-CG1 4.08Å; N176-S218 WeakPolarHBondContact CB-O 3.42Å; N176-R219 PolarHBondContact ND2-O 2.85Å
177	S	95.2	Very high	97.2	Very high	38 Å²	38	23.8 Å²	23.8	27%	0.266	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.4	-175.6	-50.3	0	0	0	0	113.3	A125 K126 D127 G179	A125-S177 CarbonylContact C-O 3.51Å; K126-S177 PolarHBondContact N-O 3.23Å; D127-S177 WeakPolarHBondContact CB-O 3.28Å; D127-S177 PolarHBondContact N-O 3.33Å; D127-S177 VanDerWaalsContact OD2-C 3.24Å; D127-S177 WeakPolarHBondContact OD2-CB 3.29Å; S177-G179 VanDerWaalsContact C-N 3.29Å; S177-G179 PolarHBondContact O-N 3.4Å
178	S	96.2	Very high	97.5	Very high	47 Å²	47	18.3 Å²	18.3	33%	0.329	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.3	-178	-48.9	0	0	0	0	114.4	D127 R128 N176 T180	D127-S178 WeakPolarHBondContact OD2-CA 3.49Å; D127-S178 PolarHBondContact OD2-N 2.96Å; D127-S178 PolarHBondContact OD2-OG 2.92Å; R128-S178 WeakPolarHBondContact CD-O 3.47Å; R128-S178 VanDerWaalsContact CZ-O 3.27Å; R128-S178 PolarHBondContact NE-O 3.11Å; R128-S178 PolarHBondContact NH2-O 2.9Å; N176-S178 PolarHBondContact O-N 3.3Å; N176-S178 VanDerWaalsContact O-N 3.16Å; S178-T180 VanDerWaalsContact C-N 3.35Å; S178-T180 PolarHBondContact O-N 3.31Å
179	G	94.8	Very high	97.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	60.9	39.5	176.5	0	0	0	0	0	113.4	A125 R128 N176 S177 P196	A125-G179 VanDerWaalsContact CB-CA 3.4Å; R128-G179 PolarHBondContact NH1-O 3.42Å; N176-G179 PolarHBondContact O-N 2.94Å; N176-G179 PolarHBondContact OD1-N 3.25Å; S177-G179 VanDerWaalsContact C-N 3.29Å; S177-G179 PolarHBondContact O-N 3.4Å; G179-P196 WeakPolarHBondContact O-CG 3.35Å
180	T	95.3	Very high	97.5	Very high	41 Å²	41	19.8 Å²	19.8	25%	0.252	11%	0.109	S	C	.	.	S	Bend	trans	-93.5	-20.8	176.3	54.2	0	0	0	0	112.2	N176 S178	N176-T180 PolarHBondContact ND2-OG1 3.48Å; N176-T180 PolarHBondContact OD1-N 2.95Å; N176-T180 PolarHBondContact OD1-OG1 3.13Å; S178-T180 VanDerWaalsContact C-N 3.35Å; S178-T180 PolarHBondContact O-N 3.31Å
181	V	97.1	Very high	97.5	Very high	15 Å²	15	19.8 Å²	19.8	9%	0.091	11%	0.109	C	C	.	.			trans	-136	140.2	178.3	-66.5	0	0	0	0	111.4	M175 N176 V193 W194 V217 L238	M175-V181 WeakPolarHBondContact CA-O 3.31Å; N176-V181 HydrophobicContact CB-CG2 4.13Å; N176-V181 WeakPolarHBondContact OD1-CG2 3.45Å; N176-V181 PolarHBondContact OD1-N 2.95Å; N176-V181 VanDerWaalsContact OD1-N 3.13Å; V181-V193 HydrophobicContact CB-CG1 4.3Å; V181-V193 HydrophobicContact CG1-CG1 4.29Å; V181-W194 WeakPolarHBondContact CA-O 3.41Å; V181-V217 HydrophobicContact CG2-CG1 3.88Å; V181-L238 HydrophobicContact CG1-CD1 4.48Å; V181-L238 HydrophobicContact CG2-CD1 4.41Å
182	V	98.1	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	164.1	179.2	0	0	0	0	107.4	A132 L142 L163 L173 G174 M175 V193 W194 P196	A132-V182 HydrophobicContact CB-CG1 4.5Å; L142-V182 HydrophobicContact CD2-CG2 4.23Å; L163-V182 HydrophobicContact CD1-CB 3.94Å; L163-V182 HydrophobicContact CD1-CG1 3.87Å; L163-V182 HydrophobicContact CD1-CG2 4.14Å; L173-V182 HydrophobicContact CD2-CG1 4.46Å; G174-V182 WeakPolarHBondContact O-CA 3.47Å; M175-V182 HydrophobicContact CE-CG2 3.67Å; M175-V182 HydrophobicContact CG-CB 4.34Å; M175-V182 HydrophobicContact CG-CG1 4.4Å; M175-V182 HydrophobicContact CG-CG2 3.77Å; M175-V182 HydrophobicContact SD-CG2 3.95Å; V182-V193 CarbonylContact O-C 3.4Å; V182-V193 VanDerWaalsContact O-CA 3.32Å; V182-V193 WeakPolarHBondContact O-CA 3.42Å; V182-W194 PolarHBondContact N-O 3.06Å; V182-W194 PolarHBondContact O-N 3Å; V182-P196 HydrophobicContact CG2-CB 3.75Å; V182-P196 HydrophobicContact CG2-CG 3.93Å
183	I	98.5	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.1	178.3	-46	-174.8	0	0	0	109.3	L173 G174 L191 R192 V193 I215 V217 C224 L238	L173-I183 CarbonylContact C-O 3.48Å; L173-I183 VanDerWaalsContact CA-O 3.28Å; L173-I183 WeakPolarHBondContact CA-O 3.44Å; G174-I183 PolarHBondContact N-O 2.99Å; G174-I183 PolarHBondContact O-N 2.83Å; I183-L191 HydrophobicContact CG2-CB 3.92Å; I183-L191 HydrophobicContact CG2-CD2 3.93Å; I183-L191 HydrophobicContact CG2-CG 4.42Å; I183-R192 CarbonylContact C-O 3.59Å; I183-R192 VanDerWaalsContact CA-O 3.25Å; I183-R192 WeakPolarHBondContact CA-O 3.5Å; I183-V193 HydrophobicContact CD1-CG2 4.4Å; I183-V193 HydrophobicContact CG1-CG1 4.27Å; I183-V193 HydrophobicContact CG1-CG2 4.15Å; I183-V193 HydrophobicContact CG2-CG2 4.22Å; I183-I215 HydrophobicContact CB-CD1 4.49Å; I183-I215 HydrophobicContact CB-CG2 4.29Å; I183-I215 HydrophobicContact CG2-CD1 3.92Å; I183-I215 HydrophobicContact CG2-CG2 4.36Å; I183-V217 HydrophobicContact CD1-CG1 4.35Å; I183-V217 HydrophobicContact CD1-CG2 3.79Å; I183-V217 HydrophobicContact CG1-CG2 4.18Å; I183-C224 HydrophobicContact CD1-CB 3.7Å; I183-L238 HydrophobicContact CD1-CD1 3.7Å; I183-L238 HydrophobicContact CD1-CD2 3.96Å; I183-L238 HydrophobicContact CD1-CG 4.49Å
184	S	98.4	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.4	173.7	74.7	0	0	0	0	112.3	S172 L191 R192 W194 I215	S172-S184 WeakPolarHBondContact O-CA 3.34Å; S184-L191 WeakPolarHBondContact O-CA 3.48Å; S184-R192 PolarHBondContact N-O 2.97Å; S184-R192 PolarHBondContact O-N 3.13Å; S184-R192 VanDerWaalsContact O-N 3.16Å; S184-W194 WeakPolarHBondContact OG-CH2 2.94Å; S184-W194 WeakPolarHBondContact OG-CZ3 3.27Å; S184-I215 VanDerWaalsContact C-CD1 3.5Å
185	G	98.3	Very high	97.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.8	167.3	0	0	0	0	0	110.5	Y171 S172 V212	Y171-G185 PolarHBondContact N-O 3.43Å; S172-G185 PolarHBondContact N-O 2.9Å; S172-G185 PolarHBondContact O-N 3.38Å; S172-G185 WeakPolarHBondContact OG-CA 3.33Å; G185-V212 CarbonylContact C-O 3.45Å
186	S	97.5	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	172	-168.8	64.2	0	0	0	0	112.7	S169 E188 K189 V212	S169-S186 CarbonylContact O-C 3.57Å; S169-S186 VanDerWaalsContact O-CA 3.24Å; S169-S186 WeakPolarHBondContact O-CA 3.36Å; S169-S186 VanDerWaalsContact O-CB 3.25Å; S169-S186 WeakPolarHBondContact O-CB 3.41Å; S186-E188 PolarHBondContact O-N 3.47Å; S186-E188 WeakPolarHBondContact OG-CB 3.48Å; S186-E188 PolarHBondContact OG-N 3.23Å; S186-K189 PolarHBondContact O-N 3.45Å; S186-K189 VanDerWaalsContact O-N 3.15Å; S186-V212 PolarHBondContact O-N 3.21Å
187	A	98.2	Very high	96.7	Very high	22 Å²	22	23 Å²	23	18%	0.182	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.9	168.6	0	0	0	0	0	113.7	D168 S169 Y171 K189 V211	D168-A187 HydrophobicContact CB-CB 4.19Å; S169-A187 PolarHBondContact O-N 3.47Å; Y171-A187 HydrophobicContact CE2-CB 4.11Å; A187-K189 WeakPolarHBondContact O-CG 3.45Å; A187-K189 PolarHBondContact O-N 3.09Å; A187-K189 VanDerWaalsContact O-N 3.15Å; A187-V211 HydrophobicContact CB-CG2 4.17Å
188	E	97	Very high	96.7	Very high	36 Å²	36	24.7 Å²	24.7	17%	0.168	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.9	167.6	-63.1	-172.8	-127.1	0	0	113.3	K167 D168 S186 V190 R192	K167-E188 WeakPolarHBondContact CA-OE1 3.3Å; K167-E188 VanDerWaalsContact CB-CD 3.49Å; K167-E188 HydrophobicContact CB-CG 4.09Å; K167-E188 VanDerWaalsContact CB-OE1 3.25Å; K167-E188 WeakPolarHBondContact CB-OE1 3.45Å; K167-E188 PolarHBondContact N-OE1 3.49Å; D168-E188 HydrophobicContact CB-CB 4.41Å; D168-E188 HydrophobicContact CB-CG 3.47Å; D168-E188 VanDerWaalsContact CB-CG 3.47Å; S186-E188 PolarHBondContact O-N 3.47Å; S186-E188 WeakPolarHBondContact OG-CB 3.48Å; S186-E188 PolarHBondContact OG-N 3.23Å; E188-V190 HydrophobicContact CB-CG2 3.73Å; E188-V190 PolarHBondContact O-N 2.84Å; E188-R192 IonicContact OE1-CZ 3.93Å; E188-R192 IonicContact OE1-NE 2.8Å; E188-R192 PolarHBondContact OE1-NE 3.15Å; E188-R192 IonicContact OE1-NH2 3.02Å; E188-R192 PolarHBondContact OE1-NH2 3.07Å; E188-R192 IonicContact OE2-CZ 2.81Å; E188-R192 IonicContact OE2-NE 3.27Å; E188-R192 PolarHBondContact OE2-NE 3.17Å; E188-R192 IonicContact OE2-NH2 3.25Å; E188-R192 PolarHBondContact OE2-NH2 3.09Å
189	K	97.7	Very high	96.5	Very high	92 Å²	92	24.5 Å²	24.5	40%	0.4	13%	0.125	S	C	.	.	S	Bend	trans	64.2	21.9	178.3	-42.4	173.2	169.6	-156.9	0	113.5	S186 A187 T209	S186-K189 PolarHBondContact O-N 3.45Å; S186-K189 VanDerWaalsContact O-N 3.15Å; A187-K189 WeakPolarHBondContact O-CG 3.45Å; A187-K189 PolarHBondContact O-N 3.09Å; A187-K189 VanDerWaalsContact O-N 3.15Å; K189-T209 VanDerWaalsContact CD-O 3.27Å; K189-T209 WeakPolarHBondContact CD-O 3.47Å; K189-T209 WeakPolarHBondContact CE-O 3.13Å; K189-T209 PolarHBondContact NZ-O 3.5Å
190	V	97.2	Very high	96.3	Very high	10 Å²	10	30.4 Å²	30.4	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.8	-179.2	-61.9	0	0	0	0	110.4	E188 R192 K204 L205 R206	E188-V190 HydrophobicContact CB-CG2 3.73Å; E188-V190 PolarHBondContact O-N 2.84Å; V190-R192 HydrophobicContact CG2-CG 4.34Å; V190-K204 HydrophobicContact CB-CG 4.43Å; V190-K204 HydrophobicContact CG2-CG 4.49Å; V190-L205 WeakPolarHBondContact CA-O 3.37Å; V190-L205 WeakPolarHBondContact CB-O 3.37Å; V190-R206 HydrophobicContact CG1-CG 3.98Å
191	L	98.3	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.4	165.3	-55.3	74.2	0	0	0	108.7	I183 S184 K204 L205 V212 I215 W236	I183-L191 HydrophobicContact CG2-CB 3.92Å; I183-L191 HydrophobicContact CG2-CD2 3.93Å; I183-L191 HydrophobicContact CG2-CG 4.42Å; S184-L191 WeakPolarHBondContact O-CA 3.48Å; L191-K204 WeakPolarHBondContact O-CA 3.38Å; L191-L205 HydrophobicContact CB-CB 4.14Å; L191-L205 HydrophobicContact CB-CD1 4.34Å; L191-L205 HydrophobicContact CD1-CB 4.42Å; L191-L205 HydrophobicContact CD2-CD1 4.41Å; L191-L205 PolarHBondContact N-O 2.87Å; L191-L205 PolarHBondContact O-N 3.46Å; L191-V212 HydrophobicContact CD1-CG2 4.45Å; L191-I215 HydrophobicContact CD2-CD1 4.24Å; L191-I215 HydrophobicContact CG-CD1 4.4Å; L191-W236 HydrophobicContact CD1-CZ2 3.77Å
192	R	97.7	Very high	95.6	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.4	172.2	-66.8	179.6	174.6	-74.7	8	108.4	G165 I183 S184 E188 V190 W194 I203	G165-R192 PolarHBondContact O-NE 2.73Å; G165-R192 PolarHBondContact O-NH2 3.13Å; I183-R192 CarbonylContact C-O 3.59Å; I183-R192 VanDerWaalsContact CA-O 3.25Å; I183-R192 WeakPolarHBondContact CA-O 3.5Å; S184-R192 PolarHBondContact N-O 2.97Å; S184-R192 PolarHBondContact O-N 3.13Å; S184-R192 VanDerWaalsContact O-N 3.16Å; E188-R192 IonicContact OE1-CZ 3.93Å; E188-R192 IonicContact OE1-NE 2.8Å; E188-R192 PolarHBondContact OE1-NE 3.15Å; E188-R192 IonicContact OE1-NH2 3.02Å; E188-R192 PolarHBondContact OE1-NH2 3.07Å; E188-R192 IonicContact OE2-CZ 2.81Å; E188-R192 IonicContact OE2-NE 3.27Å; E188-R192 PolarHBondContact OE2-NE 3.17Å; E188-R192 IonicContact OE2-NH2 3.25Å; E188-R192 PolarHBondContact OE2-NH2 3.09Å; V190-R192 HydrophobicContact CG2-CG 4.34Å; R192-W194 VanDerWaalsContact C-CZ3 3.47Å; R192-W194 HydrophobicContact CB-CE3 4.15Å; R192-W194 HydrophobicContact CB-CH2 3.13Å; R192-W194 HydrophobicContact CB-CZ2 3.75Å; R192-W194 HydrophobicContact CB-CZ3 3.35Å; R192-W194 HydrophobicContact CG-CH2 4.07Å; R192-W194 HydrophobicContact CG-CZ2 4.49Å; R192-W194 WeakPolarHBondContact O-CZ3 3.38Å; R192-I203 WeakPolarHBondContact CA-O 3.44Å
193	V	97.8	Very high	95.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135	-178.3	-171.7	0	0	0	0	109.3	V181 V182 I183 L202 I203 L205 L238	V181-V193 HydrophobicContact CB-CG1 4.3Å; V181-V193 HydrophobicContact CG1-CG1 4.29Å; V182-V193 CarbonylContact O-C 3.4Å; V182-V193 VanDerWaalsContact O-CA 3.32Å; V182-V193 WeakPolarHBondContact O-CA 3.42Å; I183-V193 HydrophobicContact CD1-CG2 4.4Å; I183-V193 HydrophobicContact CG1-CG1 4.27Å; I183-V193 HydrophobicContact CG1-CG2 4.15Å; I183-V193 HydrophobicContact CG2-CG2 4.22Å; V193-L202 PolarHBondContact O-N 3Å; V193-I203 HydrophobicContact CB-CB 3.89Å; V193-I203 HydrophobicContact CB-CD1 4.27Å; V193-I203 HydrophobicContact CB-CG1 4.35Å; V193-I203 HydrophobicContact CG1-CD1 4.34Å; V193-I203 HydrophobicContact CG2-CB 3.91Å; V193-I203 HydrophobicContact CG2-CD1 4.33Å; V193-I203 PolarHBondContact N-O 3.26Å; V193-I203 PolarHBondContact O-N 3.39Å; V193-L205 HydrophobicContact CG2-CD1 4.5Å; V193-L238 HydrophobicContact CG2-CD2 4.33Å
194	W	97.7	Very high	95.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.1	175	-62.4	-104.8	0	0	0	110.9	I140 L163 N164 S166 V181 V182 S184 R192 Q200 K201	I140-W194 HydrophobicContact CD1-CE3 4.31Å; I140-W194 HydrophobicContact CD1-CH2 3.58Å; I140-W194 HydrophobicContact CD1-CZ2 4.2Å; I140-W194 HydrophobicContact CD1-CZ3 3.66Å; L163-W194 HydrophobicContact CB-CD2 4.27Å; L163-W194 HydrophobicContact CB-CG 4.15Å; L163-W194 HydrophobicContact CD1-CB 3.91Å; L163-W194 HydrophobicContact CD1-CD2 4.26Å; L163-W194 HydrophobicContact CD1-CE3 4.5Å; L163-W194 HydrophobicContact CD1-CG 4.01Å; L163-W194 HydrophobicContact CD2-CB 4.19Å; L163-W194 HydrophobicContact CD2-CG 4.31Å; L163-W194 HydrophobicContact CG-CG 4.41Å; N164-W194 PolarHBondContact O-NE1 3.49Å; S166-W194 WeakPolarHBondContact OG-CH2 3.35Å; V181-W194 WeakPolarHBondContact CA-O 3.41Å; V182-W194 PolarHBondContact N-O 3.06Å; V182-W194 PolarHBondContact O-N 3Å; S184-W194 WeakPolarHBondContact OG-CH2 2.94Å; S184-W194 WeakPolarHBondContact OG-CZ3 3.27Å; R192-W194 VanDerWaalsContact C-CZ3 3.47Å; R192-W194 HydrophobicContact CB-CE3 4.15Å; R192-W194 HydrophobicContact CB-CH2 3.13Å; R192-W194 HydrophobicContact CB-CZ2 3.75Å; R192-W194 HydrophobicContact CB-CZ3 3.35Å; R192-W194 HydrophobicContact CG-CH2 4.07Å; R192-W194 HydrophobicContact CG-CZ2 4.49Å; R192-W194 WeakPolarHBondContact O-CZ3 3.38Å; W194-Q200 VanDerWaalsContact CA-O 3.24Å; W194-Q200 WeakPolarHBondContact CA-O 3.21Å; W194-Q200 WeakPolarHBondContact CB-O 3.28Å; W194-K201 VanDerWaalsContact CD1-CA 3.44Å
195	D	94.6	Very high	95.3	Very high	18 Å²	18	42.2 Å²	42.2	10%	0.096	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.3	158.9	-171.9	-29.6	0	0	0	108	R197 T198 C199 Q200 L202	D195-R197 PolarHBondContact O-N 3.4Å; D195-R197 VanDerWaalsContact OD1-CB 3.22Å; D195-R197 WeakPolarHBondContact OD1-CB 3.49Å; D195-R197 WeakPolarHBondContact OD1-CG 3.38Å; D195-R197 IonicContact OD1-CZ 3.03Å; D195-R197 PolarHBondContact OD1-N 3.04Å; D195-R197 IonicContact OD1-NE 3.09Å; D195-R197 PolarHBondContact OD1-NE 3.38Å; D195-R197 IonicContact OD1-NH2 3.61Å; D195-R197 IonicContact OD2-CZ 3.05Å; D195-R197 IonicContact OD2-NE 3.77Å; D195-R197 PolarHBondContact OD2-NE 3.18Å; D195-R197 IonicContact OD2-NH2 3.28Å; D195-R197 PolarHBondContact OD2-NH2 3.33Å; D195-T198 PolarHBondContact O-N 3.23Å; D195-C199 VanDerWaalsContact O-CA 3.3Å; D195-C199 WeakPolarHBondContact O-CA 3.21Å; D195-C199 PolarHBondContact O-N 2.81Å; D195-Q200 PolarHBondContact N-O 3.16Å; D195-L202 HydrophobicContact CB-CD1 4.05Å; D195-L202 HydrophobicContact CB-CD2 4.38Å; D195-L202 HydrophobicContact CB-CG 4.35Å
196	P	94.5	Very high	95.2	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.026	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.9	-179.1	28.2	-35.1	0	0	0	113.7	L142 M175 G179 V182	L142-P196 HydrophobicContact CD1-CB 3.6Å; M175-P196 HydrophobicContact CE-CG 4.38Å; G179-P196 WeakPolarHBondContact O-CG 3.35Å; V182-P196 HydrophobicContact CG2-CB 3.75Å; V182-P196 HydrophobicContact CG2-CG 3.93Å
197	R	91.3	Very high	95.2	Very high	151 Å²	151	52.1 Å²	52.1	57%	0.57	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-44.3	177.8	-62.3	173.3	-75.9	-179	6.7	112.4	D195	D195-R197 PolarHBondContact O-N 3.4Å; D195-R197 VanDerWaalsContact OD1-CB 3.22Å; D195-R197 WeakPolarHBondContact OD1-CB 3.49Å; D195-R197 WeakPolarHBondContact OD1-CG 3.38Å; D195-R197 IonicContact OD1-CZ 3.03Å; D195-R197 PolarHBondContact OD1-N 3.04Å; D195-R197 IonicContact OD1-NE 3.09Å; D195-R197 PolarHBondContact OD1-NE 3.38Å; D195-R197 IonicContact OD1-NH2 3.61Å; D195-R197 IonicContact OD2-CZ 3.05Å; D195-R197 IonicContact OD2-NE 3.77Å; D195-R197 PolarHBondContact OD2-NE 3.18Å; D195-R197 IonicContact OD2-NH2 3.28Å; D195-R197 PolarHBondContact OD2-NH2 3.33Å
198	T	93.7	Very high	95.2	Very high	74 Å²	74	51.6 Å²	51.6	45%	0.454	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-8	-177.6	63.2	0	0	0	0	111.7	D195 Q200	D195-T198 PolarHBondContact O-N 3.23Å; T198-Q200 PolarHBondContact O-N 3.34Å; T198-Q200 WeakPolarHBondContact OG1-CB 3.21Å; T198-Q200 WeakPolarHBondContact OG1-CG 3.23Å; T198-Q200 PolarHBondContact OG1-N 3.36Å
199	C	92.9	Very high	95.2	Very high	44 Å²	44	54.2 Å²	54.2	30%	0.297	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	18.1	-169.5	-62.1	0	0	0	0	113.3	L163 D195	L163-C199 HydrophobicContact CD2-CB 3.84Å; D195-C199 VanDerWaalsContact O-CA 3.3Å; D195-C199 WeakPolarHBondContact O-CA 3.21Å; D195-C199 PolarHBondContact O-N 2.81Å
200	Q	91.2	Very high	95.3	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.5	-179.3	-68.9	-177.2	-3.5	0	0	110.5	W194 D195 T198 L202	W194-Q200 VanDerWaalsContact CA-O 3.24Å; W194-Q200 WeakPolarHBondContact CA-O 3.21Å; W194-Q200 WeakPolarHBondContact CB-O 3.28Å; D195-Q200 PolarHBondContact N-O 3.16Å; T198-Q200 PolarHBondContact O-N 3.34Å; T198-Q200 WeakPolarHBondContact OG1-CB 3.21Å; T198-Q200 WeakPolarHBondContact OG1-CG 3.23Å; T198-Q200 PolarHBondContact OG1-N 3.36Å; Q200-L202 PolarHBondContact O-N 3.17Å
201	K	88.6	Confident	95.3	Very high	116 Å²	116	53.5 Å²	53.5	50%	0.504	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.4	170.5	-177.8	-178.5	67.9	-164.7	0	109.1	W194	W194-K201 VanDerWaalsContact CD1-CA 3.44Å
202	L	88.8	Confident	95.4	Very high	85 Å²	85	53.5 Å²	53.5	45%	0.445	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-53.4	-174.8	-56.8	-179.5	0	0	0	112.6	V193 D195 Q200	V193-L202 PolarHBondContact O-N 3Å; D195-L202 HydrophobicContact CB-CD1 4.05Å; D195-L202 HydrophobicContact CB-CD2 4.38Å; D195-L202 HydrophobicContact CB-CG 4.35Å; Q200-L202 PolarHBondContact O-N 3.17Å
203	I	94.6	Very high	95.4	Very high	18 Å²	18	56 Å²	56	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.9	-163.9	-51	161	0	0	0	110.7	R192 V193 L205 L238 Q241	R192-I203 WeakPolarHBondContact CA-O 3.44Å; V193-I203 HydrophobicContact CB-CB 3.89Å; V193-I203 HydrophobicContact CB-CD1 4.27Å; V193-I203 HydrophobicContact CB-CG1 4.35Å; V193-I203 HydrophobicContact CG1-CD1 4.34Å; V193-I203 HydrophobicContact CG2-CB 3.91Å; V193-I203 HydrophobicContact CG2-CD1 4.33Å; V193-I203 PolarHBondContact N-O 3.26Å; V193-I203 PolarHBondContact O-N 3.39Å; I203-L205 HydrophobicContact CG2-CD2 3.55Å; I203-L205 HydrophobicContact CG2-CG 3.85Å; I203-L238 HydrophobicContact CD1-CB 4.35Å; I203-L238 VanDerWaalsContact CD1-O 3.27Å; I203-L238 WeakPolarHBondContact CD1-O 3.2Å; I203-Q241 HydrophobicContact CD1-CG 4.12Å; I203-Q241 HydrophobicContact CG1-CG 4.02Å; I203-Q241 HydrophobicContact CG2-CB 3.94Å; I203-Q241 HydrophobicContact CG2-CG 3.72Å
204	K	95.5	Very high	95.5	Very high	84 Å²	84	56.4 Å²	56.4	37%	0.365	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	105.7	167.3	-177.6	-177.5	179.9	174.9	0	109.3	V190 L191	V190-K204 HydrophobicContact CB-CG 4.43Å; V190-K204 HydrophobicContact CG2-CG 4.49Å; L191-K204 WeakPolarHBondContact O-CA 3.38Å
205	L	97.7	Very high	95.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.1	179	-56.5	172.6	0	0	0	110.2	V190 L191 V193 I203 W236 L238 Q241	V190-L205 WeakPolarHBondContact CA-O 3.37Å; V190-L205 WeakPolarHBondContact CB-O 3.37Å; L191-L205 HydrophobicContact CB-CB 4.14Å; L191-L205 HydrophobicContact CB-CD1 4.34Å; L191-L205 HydrophobicContact CD1-CB 4.42Å; L191-L205 HydrophobicContact CD2-CD1 4.41Å; L191-L205 PolarHBondContact N-O 2.87Å; L191-L205 PolarHBondContact O-N 3.46Å; V193-L205 HydrophobicContact CG2-CD1 4.5Å; I203-L205 HydrophobicContact CG2-CD2 3.55Å; I203-L205 HydrophobicContact CG2-CG 3.85Å; L205-W236 HydrophobicContact CB-CD2 4.34Å; L205-W236 HydrophobicContact CB-CE3 3.82Å; L205-W236 HydrophobicContact CB-CH2 4.29Å; L205-W236 HydrophobicContact CB-CZ3 3.8Å; L205-W236 HydrophobicContact CD1-CB 4.05Å; L205-W236 HydrophobicContact CD1-CD2 3.98Å; L205-W236 HydrophobicContact CD1-CE3 3.96Å; L205-W236 HydrophobicContact CD1-CG 4.02Å; L205-W236 HydrophobicContact CD2-CE3 4.13Å; L205-W236 HydrophobicContact CG-CE3 4.19Å; L205-L238 HydrophobicContact CD1-CD2 3.81Å; L205-Q241 VanDerWaalsContact CD2-C 3.5Å; L205-Q241 HydrophobicContact CD2-CB 4.2Å
206	R	97.1	Very high	95.7	Very high	180 Å²	180	57.5 Å²	57.5	68%	0.679	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.2	179.6	-61.2	-176.7	-171.5	-169.6	2.1	109.9	V190 W236	V190-R206 HydrophobicContact CG1-CG 3.98Å; R206-W236 VanDerWaalsContact O-CH2 3.28Å; R206-W236 WeakPolarHBondContact O-CH2 3.41Å; R206-W236 WeakPolarHBondContact O-CZ3 3.43Å
207	G	96.5	Very high	95.9	Very high	27 Å²	27	58.1 Å²	58.1	28%	0.278	29%	0.287	S	S	.	.			trans	166.6	-35.8	173.7	0	0	0	0	0	112.9	R234	G207-R234 VanDerWaalsContact O-CZ 3.24Å; G207-R234 PolarHBondContact O-NE 3.23Å; G207-R234 PolarHBondContact O-NH2 2.98Å
208	H	98.4	Very high	96.2	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.056	26%	0.262	C	S	.	.			trans	-63.4	145.2	171	-77.9	-69.8	0	0	0	111.3	V212 S226 D230 S232	H208-V212 HydrophobicContact CB-CG2 3.91Å; H208-S226 PolarHBondContact NE2-OG 2.95Å; H208-D230 WeakPolarHBondContact CA-OD2 3.49Å; H208-D230 WeakPolarHBondContact CB-OD2 3.43Å; H208-D230 IonicContact CE1-OD1 2.84Å; H208-D230 IonicContact CG-OD2 3.25Å; H208-D230 IonicContact ND1-OD1 3.21Å; H208-D230 PolarHBondContact ND1-OD1 2.94Å; H208-D230 VanDerWaalsContact ND1-OD1 3.09Å; H208-D230 IonicContact ND1-OD2 3.47Å; H208-D230 PolarHBondContact ND1-OD2 3.01Å; H208-S232 PolarHBondContact CE1-OG 2.86Å; H208-S232 VanDerWaalsContact CE1-OG 3.25Å; H208-S232 PolarHBondContact ND1-OG 3.27Å; H208-S232 VanDerWaalsContact ND1-OG 3.09Å
209	T	98.4	Very high	96.3	Very high	91 Å²	91	56.3 Å²	56.3	56%	0.558	27%	0.273	S	S	*	.	S	Bend	trans	-109.4	-2.3	-178.8	61.6	0	0	0	0	112.8	K189 D230	K189-T209 VanDerWaalsContact CD-O 3.27Å; K189-T209 WeakPolarHBondContact CD-O 3.47Å; K189-T209 WeakPolarHBondContact CE-O 3.13Å; K189-T209 PolarHBondContact NZ-O 3.5Å; T209-D230 PolarHBondContact N-OD2 2.98Å; T209-D230 WeakPolarHBondContact OG1-CB 3.39Å; T209-D230 PolarHBondContact OG1-OD2 3.24Å
210	D	98.4	Very high	96.5	Very high	63 Å²	63	59 Å²	59	34%	0.337	28%	0.284	S	S	.	.	S	Bend	trans	-146.6	-174.9	173.1	-155.7	-1.9	0	0	0	111.5	V212 S229 D230	D210-V212 PolarHBondContact O-N 2.65Å; D210-S229 WeakPolarHBondContact OD2-CB 3.32Å; D210-D230 HydrophobicContact CB-CB 3.9Å
211	V	98.6	Very high	96.7	Very high	23 Å²	23	53.6 Å²	53.6	14%	0.139	26%	0.262	C	S	.	.			trans	-52.2	127.9	-177	-174.2	0	0	0	0	111.6	Y171 A187 K213 G228 S229	Y171-V211 HydrophobicContact CD2-CG1 3.34Å; Y171-V211 HydrophobicContact CE2-CG1 3.79Å; Y171-V211 HydrophobicContact CG-CG1 3.82Å; A187-V211 HydrophobicContact CB-CG2 4.17Å; V211-K213 HydrophobicContact CG1-CD 4.07Å; V211-K213 HydrophobicContact CG1-CG 4.43Å; V211-K213 PolarHBondContact O-N 3.48Å; V211-G228 CarbonylContact O-C 3.53Å; V211-G228 WeakPolarHBondContact O-CA 3.49Å; V211-S229 PolarHBondContact O-N 2.82Å
212	V	98.8	Very high	97.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.3	174.5	-174.5	0	0	0	0	109.6	S172 G185 S186 L191 H208 D210 I215 A227	S172-V212 PolarHBondContact OG-O 2.94Å; S172-V212 VanDerWaalsContact OG-O 3.08Å; G185-V212 CarbonylContact C-O 3.45Å; S186-V212 PolarHBondContact O-N 3.21Å; L191-V212 HydrophobicContact CD1-CG2 4.45Å; H208-V212 HydrophobicContact CB-CG2 3.91Å; D210-V212 PolarHBondContact O-N 2.65Å; V212-I215 HydrophobicContact CG1-CD1 4.26Å; V212-I215 HydrophobicContact CG1-CG1 4.11Å; V212-A227 CarbonylContact C-O 3.53Å
213	K	98.7	Very high	97.6	Very high	61 Å²	61	48.7 Å²	48.7	27%	0.265	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-24.5	-167	-74.2	-65.6	-154.8	177.6	0	114.8	Y171 S172 V211 A227 V254	Y171-K213 HydrophobicContact CD1-CD 4.48Å; Y171-K213 HydrophobicContact CG-CD 4.43Å; S172-K213 WeakPolarHBondContact CB-O 3.48Å; V211-K213 HydrophobicContact CG1-CD 4.07Å; V211-K213 HydrophobicContact CG1-CG 4.43Å; V211-K213 PolarHBondContact O-N 3.48Å; K213-A227 PolarHBondContact N-O 3.35Å; K213-V254 WeakPolarHBondContact CB-O 3.43Å
214	A	98.7	Very high	97.8	Very high	9 Å²	9	47.8 Å²	47.8	7%	0.074	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.5	177.7	0	0	0	0	0	111.2	S226 A227 L257	A214-S226 CarbonylContact O-C 3.57Å; A214-S226 VanDerWaalsContact O-CA 3.26Å; A214-S226 WeakPolarHBondContact O-CA 3.49Å; A214-A227 HydrophobicContact CB-CB 4.33Å; A214-A227 PolarHBondContact N-O 2.96Å; A214-A227 VanDerWaalsContact N-O 3.1Å; A214-A227 PolarHBondContact O-N 3.49Å; A214-L257 HydrophobicContact CB-CB 4.12Å; A214-L257 HydrophobicContact CB-CD1 3.97Å; A214-L257 HydrophobicContact CB-CG 3.84Å
215	I	98.8	Very high	97.9	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.082	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.6	177.5	-62.9	176.2	0	0	0	108.4	I183 S184 L191 V212 V217 V225	I183-I215 HydrophobicContact CB-CD1 4.49Å; I183-I215 HydrophobicContact CB-CG2 4.29Å; I183-I215 HydrophobicContact CG2-CD1 3.92Å; I183-I215 HydrophobicContact CG2-CG2 4.36Å; S184-I215 VanDerWaalsContact C-CD1 3.5Å; L191-I215 HydrophobicContact CD2-CD1 4.24Å; L191-I215 HydrophobicContact CG-CD1 4.4Å; V212-I215 HydrophobicContact CG1-CD1 4.26Å; V212-I215 HydrophobicContact CG1-CG1 4.11Å; I215-V217 HydrophobicContact CG2-CG2 4.13Å; I215-V225 CarbonylContact C-O 3.51Å; I215-V225 WeakPolarHBondContact CA-O 3.38Å
216	V	98.5	Very high	98	Very high	25 Å²	25	43.7 Å²	43.7	15%	0.152	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.8	167.5	-174.5	0	0	0	0	108	C224 V225 L257 T259 F263	V216-C224 CarbonylContact O-C 3.59Å; V216-C224 VanDerWaalsContact O-CA 3.25Å; V216-C224 WeakPolarHBondContact O-CA 3.29Å; V216-C224 WeakPolarHBondContact O-CB 3.14Å; V216-V225 PolarHBondContact N-O 3.48Å; V216-V225 PolarHBondContact O-N 2.72Å; V216-L257 HydrophobicContact CG2-CB 3.66Å; V216-T259 HydrophobicContact CB-CG2 4.33Å; V216-T259 HydrophobicContact CG1-CG2 3.95Å; V216-F263 HydrophobicContact CG1-CE2 4.21Å
217	V	98.5	Very high	98.1	Very high	17 Å²	17	35.1 Å²	35.1	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138	-177.3	-170.2	0	0	0	0	108.9	N176 V181 I183 I215 C224	N176-V217 HydrophobicContact CB-CG1 4.08Å; V181-V217 HydrophobicContact CG2-CG1 3.88Å; I183-V217 HydrophobicContact CD1-CG1 4.35Å; I183-V217 HydrophobicContact CD1-CG2 3.79Å; I183-V217 HydrophobicContact CG1-CG2 4.18Å; I215-V217 HydrophobicContact CG2-CG2 4.13Å; V217-C224 HydrophobicContact CG2-CB 4.31Å
218	S	97.8	Very high	98.2	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.042	17%	0.174	C	C	.	.			trans	-63.9	152.2	174.2	64.9	0	0	0	0	110.7	N176 D220 G221 T222 H223	N176-S218 WeakPolarHBondContact CB-O 3.42Å; S218-D220 VanDerWaalsContact C-N 3.28Å; S218-D220 WeakPolarHBondContact CB-OD1 3.49Å; S218-D220 PolarHBondContact O-N 3.18Å; S218-D220 PolarHBondContact OG-OD1 3.13Å; S218-G221 WeakPolarHBondContact O-CA 3.28Å; S218-G221 PolarHBondContact O-N 3.49Å; S218-T222 PolarHBondContact OG-N 2.92Å; S218-H223 PolarHBondContact N-O 3.22Å; S218-H223 PolarHBondContact OG-N 2.79Å; S218-H223 PolarHBondContact OG-O 3.47Å; S218-H223 VanDerWaalsContact OG-O 3.12Å
219	R	96.8	Very high	98.2	Very high	180 Å²	180	35.1 Å²	35.1	68%	0.679	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.7	-175.4	-173.8	177.2	-179.7	-152.1	-1.2	113.4	N176 G221	N176-R219 PolarHBondContact ND2-O 2.85Å; R219-G221 PolarHBondContact O-N 2.91Å
220	D	96.1	Very high	98.2	Very high	100 Å²	100	31.6 Å²	31.6	54%	0.535	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.8	177.3	67.1	-10.8	0	0	0	113.6	S218 T222	S218-D220 VanDerWaalsContact C-N 3.28Å; S218-D220 WeakPolarHBondContact CB-OD1 3.49Å; S218-D220 PolarHBondContact O-N 3.18Å; S218-D220 PolarHBondContact OG-OD1 3.13Å; D220-T222 VanDerWaalsContact C-N 3.27Å; D220-T222 HydrophobicContact CB-CG2 4.25Å; D220-T222 PolarHBondContact O-N 2.6Å; D220-T222 PolarHBondContact OD1-N 3.33Å; D220-T222 VanDerWaalsContact OD1-N 3.07Å; D220-T222 PolarHBondContact OD1-OG1 3.37Å; D220-T222 WeakPolarHBondContact OD2-CB 3.28Å; D220-T222 WeakPolarHBondContact OD2-CG2 3.43Å; D220-T222 PolarHBondContact OD2-OG1 2.77Å
221	G	96.6	Very high	98.2	Very high	10 Å²	10	29.2 Å²	29.2	10%	0.103	15%	0.151	C	C	.	.	S	Bend	trans	68.2	21.8	-178.2	0	0	0	0	0	113.9	S218 R219 L238	S218-G221 WeakPolarHBondContact O-CA 3.28Å; S218-G221 PolarHBondContact O-N 3.49Å; R219-G221 PolarHBondContact O-N 2.91Å; G221-L238 WeakPolarHBondContact O-CD1 3.11Å
222	T	97.2	Very high	98.2	Very high	49 Å²	49	28.1 Å²	28.1	30%	0.301	14%	0.144	S	C	.	.	S	Bend	trans	-92.8	-26.1	178.9	64	0	0	0	0	113	S218 D220 L238	S218-T222 PolarHBondContact OG-N 2.92Å; D220-T222 VanDerWaalsContact C-N 3.27Å; D220-T222 HydrophobicContact CB-CG2 4.25Å; D220-T222 PolarHBondContact O-N 2.6Å; D220-T222 PolarHBondContact OD1-N 3.33Å; D220-T222 VanDerWaalsContact OD1-N 3.07Å; D220-T222 PolarHBondContact OD1-OG1 3.37Å; D220-T222 WeakPolarHBondContact OD2-CB 3.28Å; D220-T222 WeakPolarHBondContact OD2-CG2 3.43Å; D220-T222 PolarHBondContact OD2-OG1 2.77Å; T222-L238 WeakPolarHBondContact O-CB 3.27Å; T222-L238 PolarHBondContact O-N 3Å
223	H	98.1	Very high	98.2	Very high	49 Å²	49	28.1 Å²	28.1	23%	0.227	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.1	-178.2	-64.8	78.3	0	0	0	111.5	S218 W236 H237 F263	S218-H223 PolarHBondContact N-O 3.22Å; S218-H223 PolarHBondContact OG-N 2.79Å; S218-H223 PolarHBondContact OG-O 3.47Å; S218-H223 VanDerWaalsContact OG-O 3.12Å; H223-W236 VanDerWaalsContact CA-O 3.25Å; H223-W236 WeakPolarHBondContact CA-O 3.19Å; H223-H237 AromaticContact CE1-CD2 3.86Å; H223-H237 AromaticContact NE2-CD2 3.45Å; H223-H237 PolarHBondContact NE2-CD2 2.83Å; H223-F263 HydrophobicContact CB-CD1 4.44Å; H223-F263 HydrophobicContact CB-CE1 3.79Å; H223-F263 HydrophobicContact CB-CZ 4.38Å
224	C	98.6	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.9	163.7	72.7	0	0	0	0	111.1	I183 V216 V217 W236	I183-C224 HydrophobicContact CD1-CB 3.7Å; V216-C224 CarbonylContact O-C 3.59Å; V216-C224 VanDerWaalsContact O-CA 3.25Å; V216-C224 WeakPolarHBondContact O-CA 3.29Å; V216-C224 WeakPolarHBondContact O-CB 3.14Å; V217-C224 HydrophobicContact CG2-CB 4.31Å; C224-W236 PolarHBondContact N-O 3.18Å; C224-W236 VanDerWaalsContact N-O 3.13Å; C224-W236 PolarHBondContact O-N 3.02Å; C224-W236 VanDerWaalsContact SG-CD1 3.6Å
225	V	98.8	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.9	167.8	-178	0	0	0	0	107.8	I215 V216 I233 R234 L235 L257 F263 V266 L280	I215-V225 CarbonylContact C-O 3.51Å; I215-V225 WeakPolarHBondContact CA-O 3.38Å; V216-V225 PolarHBondContact N-O 3.48Å; V216-V225 PolarHBondContact O-N 2.72Å; V225-I233 HydrophobicContact CG1-CG2 3.39Å; V225-R234 CarbonylContact C-O 3.57Å; V225-R234 VanDerWaalsContact CA-O 3.29Å; V225-R234 WeakPolarHBondContact CA-O 3.34Å; V225-L235 HydrophobicContact CG2-CD1 3.77Å; V225-L257 HydrophobicContact CG1-CD1 3.94Å; V225-F263 HydrophobicContact CB-CZ 4.45Å; V225-F263 HydrophobicContact CG2-CE1 3.99Å; V225-F263 HydrophobicContact CG2-CZ 3.68Å; V225-V266 HydrophobicContact CG1-CG2 4.2Å; V225-L280 HydrophobicContact CG2-CD1 3.94Å; V225-L280 HydrophobicContact CG2-CD2 3.77Å
226	S	98.8	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.3	174.3	65.3	0	0	0	0	112.1	H208 A214 I233 R234 W236	H208-S226 PolarHBondContact NE2-OG 2.95Å; A214-S226 CarbonylContact O-C 3.57Å; A214-S226 VanDerWaalsContact O-CA 3.26Å; A214-S226 WeakPolarHBondContact O-CA 3.49Å; S226-I233 CarbonylContact O-C 3.59Å; S226-I233 WeakPolarHBondContact O-CA 3.09Å; S226-R234 PolarHBondContact N-O 3Å; S226-R234 PolarHBondContact O-N 3.3Å; S226-W236 PolarHBondContact OG-NE1 2.81Å
227	A	98.8	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.5	179	0	0	0	0	0	110.8	V212 K213 A214 S232 I233 V254 L257	V212-A227 CarbonylContact C-O 3.53Å; K213-A227 PolarHBondContact N-O 3.35Å; A214-A227 HydrophobicContact CB-CB 4.33Å; A214-A227 PolarHBondContact N-O 2.96Å; A214-A227 VanDerWaalsContact N-O 3.1Å; A214-A227 PolarHBondContact O-N 3.49Å; A227-S232 WeakPolarHBondContact CA-O 3.23Å; A227-I233 HydrophobicContact CB-CG1 4.24Å; A227-V254 HydrophobicContact CB-CB 3.78Å; A227-V254 HydrophobicContact CB-CG1 3.51Å; A227-L257 HydrophobicContact CB-CD1 3.5Å; A227-L257 VanDerWaalsContact CB-CD1 3.5Å; A227-L257 HydrophobicContact CB-CD2 3.96Å; A227-L257 HydrophobicContact CB-CG 3.72Å
228	G	98.2	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	176	-172.8	0	0	0	0	0	115.3	V211 D230 A231 S232 V254	V211-G228 CarbonylContact O-C 3.53Å; V211-G228 WeakPolarHBondContact O-CA 3.49Å; G228-D230 PolarHBondContact O-N 2.86Å; G228-A231 PolarHBondContact O-N 3.49Å; G228-S232 PolarHBondContact N-O 2.8Å; G228-V254 PolarHBondContact O-N 2.92Å
229	S	98.7	Very high	98	Very high	38 Å²	38	29.4 Å²	29.4	27%	0.266	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.8	172.2	-76.8	0	0	0	0	113.5	D210 V211 A231	D210-S229 WeakPolarHBondContact OD2-CB 3.32Å; V211-S229 PolarHBondContact O-N 2.82Å; S229-A231 PolarHBondContact O-N 3.1Å
230	D	98.6	Very high	98	Very high	18 Å²	18	26 Å²	26	10%	0.096	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	15.1	173.9	65.2	1.3	0	0	0	114.1	H208 T209 D210 G228 S232 W248	H208-D230 WeakPolarHBondContact CA-OD2 3.49Å; H208-D230 WeakPolarHBondContact CB-OD2 3.43Å; H208-D230 IonicContact CE1-OD1 2.84Å; H208-D230 IonicContact CG-OD2 3.25Å; H208-D230 IonicContact ND1-OD1 3.21Å; H208-D230 PolarHBondContact ND1-OD1 2.94Å; H208-D230 VanDerWaalsContact ND1-OD1 3.09Å; H208-D230 IonicContact ND1-OD2 3.47Å; H208-D230 PolarHBondContact ND1-OD2 3.01Å; T209-D230 PolarHBondContact N-OD2 2.98Å; T209-D230 WeakPolarHBondContact OG1-CB 3.39Å; T209-D230 PolarHBondContact OG1-OD2 3.24Å; D210-D230 HydrophobicContact CB-CB 3.9Å; G228-D230 PolarHBondContact O-N 2.86Å; D230-S232 PolarHBondContact O-N 3.35Å; D230-S232 WeakPolarHBondContact OD1-CB 3.42Å; D230-S232 PolarHBondContact OD1-N 3.11Å; D230-S232 VanDerWaalsContact OD1-N 3.17Å; D230-S232 PolarHBondContact OD1-OG 3.26Å; D230-S232 PolarHBondContact OD2-OG 3.48Å; D230-W248 WeakPolarHBondContact O-CZ3 3.47Å
231	A	98.5	Very high	98	Very high	12 Å²	12	26.8 Å²	26.8	10%	0.099	16%	0.155	C	C	.	.	S	Bend	trans	61.1	2.5	-177.9	0	0	0	0	0	115.6	G228 S229 E252	G228-A231 PolarHBondContact O-N 3.49Å; S229-A231 PolarHBondContact O-N 3.1Å; A231-E252 WeakPolarHBondContact CA-O 3.21Å; A231-E252 VanDerWaalsContact CB-O 3.23Å; A231-E252 WeakPolarHBondContact CB-O 3.29Å
232	S	98.4	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.			trans	-92.7	144.2	-175.5	74.8	0	0	0	0	112.4	H208 A227 G228 D230 R234	H208-S232 PolarHBondContact CE1-OG 2.86Å; H208-S232 VanDerWaalsContact CE1-OG 3.25Å; H208-S232 PolarHBondContact ND1-OG 3.27Å; H208-S232 VanDerWaalsContact ND1-OG 3.09Å; A227-S232 WeakPolarHBondContact CA-O 3.23Å; G228-S232 PolarHBondContact N-O 2.8Å; D230-S232 PolarHBondContact O-N 3.35Å; D230-S232 WeakPolarHBondContact OD1-CB 3.42Å; D230-S232 PolarHBondContact OD1-N 3.11Å; D230-S232 VanDerWaalsContact OD1-N 3.17Å; D230-S232 PolarHBondContact OD1-OG 3.26Å; D230-S232 PolarHBondContact OD2-OG 3.48Å; S232-R234 PolarHBondContact OG-NE 2.91Å
233	I	98.7	Very high	98	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124	166.4	-55.3	159.1	0	0	0	107.5	V225 S226 A227 T246 I247 V254 L257 S268	V225-I233 HydrophobicContact CG1-CG2 3.39Å; S226-I233 CarbonylContact O-C 3.59Å; S226-I233 WeakPolarHBondContact O-CA 3.09Å; A227-I233 HydrophobicContact CB-CG1 4.24Å; I233-T246 CarbonylContact O-C 3.58Å; I233-T246 VanDerWaalsContact O-CA 3.29Å; I233-T246 WeakPolarHBondContact O-CA 3.47Å; I233-I247 HydrophobicContact CB-CB 4.21Å; I233-I247 HydrophobicContact CG2-CD1 4.39Å; I233-I247 PolarHBondContact N-O 3.26Å; I233-I247 VanDerWaalsContact N-O 3.11Å; I233-I247 PolarHBondContact O-N 3.24Å; I233-V254 HydrophobicContact CG1-CG1 4.32Å; I233-V254 HydrophobicContact CG1-CG2 4.33Å; I233-L257 HydrophobicContact CG1-CD2 4.4Å; I233-L257 HydrophobicContact CG2-CD2 4.16Å; I233-S268 WeakPolarHBondContact CD1-OG 3.42Å
234	R	98.6	Very high	98	Very high	33 Å²	33	32.8 Å²	32.8	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.5	-172.8	-67.2	-177.6	175.1	-87.7	-0.9	110.8	G207 V225 S226 S232 W236 T246	G207-R234 VanDerWaalsContact O-CZ 3.24Å; G207-R234 PolarHBondContact O-NE 3.23Å; G207-R234 PolarHBondContact O-NH2 2.98Å; V225-R234 CarbonylContact C-O 3.57Å; V225-R234 VanDerWaalsContact CA-O 3.29Å; V225-R234 WeakPolarHBondContact CA-O 3.34Å; S226-R234 PolarHBondContact N-O 3Å; S226-R234 PolarHBondContact O-N 3.3Å; S232-R234 PolarHBondContact OG-NE 2.91Å; R234-W236 HydrophobicContact CB-CZ2 3.78Å; R234-W236 VanDerWaalsContact CD-CZ2 3.45Å; R234-W236 HydrophobicContact CG-CZ2 4.25Å; R234-W236 VanDerWaalsContact O-CD1 3.28Å; R234-W236 PolarHBondContact O-NE1 2.64Å; R234-T246 HydrophobicContact CG-CG2 3.86Å; R234-T246 PolarHBondContact NH1-OG1 3.07Å
235	L	98.6	Very high	97.9	Very high	15 Å²	15	33.6 Å²	33.6	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.5	169.9	177.2	63.7	0	0	0	109.1	V225 C243 I244 G245 F263 L280 L283	V225-L235 HydrophobicContact CG2-CD1 3.77Å; L235-C243 CarbonylContact O-C 3.59Å; L235-C243 WeakPolarHBondContact O-CA 3.4Å; L235-I244 HydrophobicContact CB-CB 4.47Å; L235-I244 HydrophobicContact CD2-CB 4.14Å; L235-I244 HydrophobicContact CD2-CD1 4.09Å; L235-I244 HydrophobicContact CD2-CG2 4.2Å; L235-I244 HydrophobicContact CG-CB 4.1Å; L235-I244 HydrophobicContact CG-CD1 4.01Å; L235-I244 HydrophobicContact CG-CG1 4.37Å; L235-I244 PolarHBondContact O-N 3.27Å; L235-G245 PolarHBondContact N-O 3.18Å; L235-F263 HydrophobicContact CD1-CE1 3.95Å; L235-L280 HydrophobicContact CD1-CD2 4.48Å; L235-L283 HydrophobicContact CD2-CD2 4.46Å
236	W	98.5	Very high	97.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.8	-177.5	-53	87.8	0	0	0	111.4	L191 L205 R206 H223 C224 S226 R234 R242 C243	L191-W236 HydrophobicContact CD1-CZ2 3.77Å; L205-W236 HydrophobicContact CB-CD2 4.34Å; L205-W236 HydrophobicContact CB-CE3 3.82Å; L205-W236 HydrophobicContact CB-CH2 4.29Å; L205-W236 HydrophobicContact CB-CZ3 3.8Å; L205-W236 HydrophobicContact CD1-CB 4.05Å; L205-W236 HydrophobicContact CD1-CD2 3.98Å; L205-W236 HydrophobicContact CD1-CE3 3.96Å; L205-W236 HydrophobicContact CD1-CG 4.02Å; L205-W236 HydrophobicContact CD2-CE3 4.13Å; L205-W236 HydrophobicContact CG-CE3 4.19Å; R206-W236 VanDerWaalsContact O-CH2 3.28Å; R206-W236 WeakPolarHBondContact O-CH2 3.41Å; R206-W236 WeakPolarHBondContact O-CZ3 3.43Å; H223-W236 VanDerWaalsContact CA-O 3.25Å; H223-W236 WeakPolarHBondContact CA-O 3.19Å; C224-W236 PolarHBondContact N-O 3.18Å; C224-W236 VanDerWaalsContact N-O 3.13Å; C224-W236 PolarHBondContact O-N 3.02Å; C224-W236 VanDerWaalsContact SG-CD1 3.6Å; S226-W236 PolarHBondContact OG-NE1 2.81Å; R234-W236 HydrophobicContact CB-CZ2 3.78Å; R234-W236 VanDerWaalsContact CD-CZ2 3.45Å; R234-W236 HydrophobicContact CG-CZ2 4.25Å; R234-W236 VanDerWaalsContact O-CD1 3.28Å; R234-W236 PolarHBondContact O-NE1 2.64Å; W236-R242 WeakPolarHBondContact CA-O 3.35Å; W236-C243 HydrophobicContact CD2-CB 4.3Å; W236-C243 VanDerWaalsContact CE3-CA 3.48Å; W236-C243 HydrophobicContact CE3-CB 3.69Å; W236-C243 VanDerWaalsContact CE3-N 3.33Å; W236-C243 HydrophobicContact CH2-CB 3.98Å; W236-C243 HydrophobicContact CZ3-CB 3.51Å
237	H	98	Very high	97.9	Very high	39 Å²	39	35.5 Å²	35.5	18%	0.181	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	163.7	-166.2	-50.5	0	0	0	108.5	H223 G239 M240 Q241 R242 I244	H223-H237 AromaticContact CE1-CD2 3.86Å; H223-H237 AromaticContact NE2-CD2 3.45Å; H223-H237 PolarHBondContact NE2-CD2 2.83Å; H237-G239 PolarHBondContact ND1-N 2.8Å; H237-G239 VanDerWaalsContact ND1-N 3.19Å; H237-M240 HydrophobicContact CB-CB 4.1Å; H237-M240 HydrophobicContact CB-CG 4.38Å; H237-M240 HydrophobicContact CB-SD 4.48Å; H237-M240 PolarHBondContact ND1-N 3.46Å; H237-M240 VanDerWaalsContact ND1-N 3.2Å; H237-Q241 WeakPolarHBondContact O-CA 3.46Å; H237-Q241 PolarHBondContact O-N 2.96Å; H237-R242 PolarHBondContact N-O 3.22Å; H237-R242 PolarHBondContact O-N 3.34Å; H237-I244 HydrophobicContact CB-CD1 3.88Å; H237-I244 HydrophobicContact CB-CG1 3.95Å
238	L	97.4	Very high	97.7	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-44.2	-175.3	-58.8	-172.7	0	0	0	111.8	V181 I183 V193 I203 L205 G221 T222 M240 Q241	V181-L238 HydrophobicContact CG1-CD1 4.48Å; V181-L238 HydrophobicContact CG2-CD1 4.41Å; I183-L238 HydrophobicContact CD1-CD1 3.7Å; I183-L238 HydrophobicContact CD1-CD2 3.96Å; I183-L238 HydrophobicContact CD1-CG 4.49Å; V193-L238 HydrophobicContact CG2-CD2 4.33Å; I203-L238 HydrophobicContact CD1-CB 4.35Å; I203-L238 VanDerWaalsContact CD1-O 3.27Å; I203-L238 WeakPolarHBondContact CD1-O 3.2Å; L205-L238 HydrophobicContact CD1-CD2 3.81Å; G221-L238 WeakPolarHBondContact O-CD1 3.11Å; T222-L238 WeakPolarHBondContact O-CB 3.27Å; T222-L238 PolarHBondContact O-N 3Å; L238-M240 PolarHBondContact O-N 3.31Å; L238-Q241 WeakPolarHBondContact O-CG 3.43Å; L238-Q241 PolarHBondContact O-N 3.37Å; L238-Q241 VanDerWaalsContact O-N 3.11Å
239	G	95.6	Very high	97.6	Very high	64 Å²	64	44.1 Å²	44.1	66%	0.66	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-44.5	176.5	0	0	0	0	0	114.2	H237 Q241	H237-G239 PolarHBondContact ND1-N 2.8Å; H237-G239 VanDerWaalsContact ND1-N 3.19Å; G239-Q241 VanDerWaalsContact C-N 3.26Å; G239-Q241 PolarHBondContact O-N 3.18Å
240	M	96.6	Very high	97.5	Very high	109 Å²	109	42.9 Å²	42.9	54%	0.537	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.6	175.8	-58.3	-179.5	-176.5	0	0	113.6	H237 L238 R242	H237-M240 HydrophobicContact CB-CB 4.1Å; H237-M240 HydrophobicContact CB-CG 4.38Å; H237-M240 HydrophobicContact CB-SD 4.48Å; H237-M240 PolarHBondContact ND1-N 3.46Å; H237-M240 VanDerWaalsContact ND1-N 3.2Å; L238-M240 PolarHBondContact O-N 3.31Å; M240-R242 VanDerWaalsContact C-N 3.26Å; M240-R242 HydrophobicContact CB-CG 3.99Å; M240-R242 PolarHBondContact O-N 3.39Å
241	Q	96.8	Very high	97.5	Very high	116 Å²	116	46.7 Å²	46.7	54%	0.542	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	37.3	-179.3	-51.9	-174	11	0	0	114.7	I203 L205 H237 L238 G239	I203-Q241 HydrophobicContact CD1-CG 4.12Å; I203-Q241 HydrophobicContact CG1-CG 4.02Å; I203-Q241 HydrophobicContact CG2-CB 3.94Å; I203-Q241 HydrophobicContact CG2-CG 3.72Å; L205-Q241 VanDerWaalsContact CD2-C 3.5Å; L205-Q241 HydrophobicContact CD2-CB 4.2Å; H237-Q241 WeakPolarHBondContact O-CA 3.46Å; H237-Q241 PolarHBondContact O-N 2.96Å; L238-Q241 WeakPolarHBondContact O-CG 3.43Å; L238-Q241 PolarHBondContact O-N 3.37Å; L238-Q241 VanDerWaalsContact O-N 3.11Å; G239-Q241 VanDerWaalsContact C-N 3.26Å; G239-Q241 PolarHBondContact O-N 3.18Å
242	R	96.8	Very high	97.5	Very high	132 Å²	132	50 Å²	50	50%	0.498	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.3	-175.2	73.9	-177.1	-176.9	107.1	-3.4	113.1	W236 H237 M240	W236-R242 WeakPolarHBondContact CA-O 3.35Å; H237-R242 PolarHBondContact N-O 3.22Å; H237-R242 PolarHBondContact O-N 3.34Å; M240-R242 VanDerWaalsContact C-N 3.26Å; M240-R242 HydrophobicContact CB-CG 3.99Å; M240-R242 PolarHBondContact O-N 3.39Å
243	C	97.9	Very high	97.5	Very high	35 Å²	35	50.3 Å²	50.3	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.7	165.1	-170.6	0	0	0	0	108.2	L235 W236 G245	L235-C243 CarbonylContact O-C 3.59Å; L235-C243 WeakPolarHBondContact O-CA 3.4Å; W236-C243 HydrophobicContact CD2-CB 4.3Å; W236-C243 VanDerWaalsContact CE3-CA 3.48Å; W236-C243 HydrophobicContact CE3-CB 3.69Å; W236-C243 VanDerWaalsContact CE3-N 3.33Å; W236-C243 HydrophobicContact CH2-CB 3.98Å; W236-C243 HydrophobicContact CZ3-CB 3.51Å; C243-G245 PolarHBondContact SG-O 2.96Å
244	I	97	Very high	97.5	Very high	67 Å²	67	50.2 Å²	50.2	34%	0.344	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-42.7	174.2	-57.5	-175.9	0	0	0	109.4	L235 H237	L235-I244 HydrophobicContact CB-CB 4.47Å; L235-I244 HydrophobicContact CD2-CB 4.14Å; L235-I244 HydrophobicContact CD2-CD1 4.09Å; L235-I244 HydrophobicContact CD2-CG2 4.2Å; L235-I244 HydrophobicContact CG-CB 4.1Å; L235-I244 HydrophobicContact CG-CD1 4.01Å; L235-I244 HydrophobicContact CG-CG1 4.37Å; L235-I244 PolarHBondContact O-N 3.27Å; H237-I244 HydrophobicContact CB-CD1 3.88Å; H237-I244 HydrophobicContact CB-CG1 3.95Å
245	G	97.5	Very high	97.5	Very high	17 Å²	17	51.6 Å²	51.6	18%	0.175	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	173.3	176.8	0	0	0	0	0	112	L235 C243 L283	L235-G245 PolarHBondContact N-O 3.18Å; C243-G245 PolarHBondContact SG-O 2.96Å; G245-L283 VanDerWaalsContact CA-CD1 3.5Å
246	T	98	Very high	97.5	Very high	35 Å²	35	51.1 Å²	51.1	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.7	-174.8	-53.6	0	0	0	0	109.4	I233 R234 W248	I233-T246 CarbonylContact O-C 3.58Å; I233-T246 VanDerWaalsContact O-CA 3.29Å; I233-T246 WeakPolarHBondContact O-CA 3.47Å; R234-T246 HydrophobicContact CG-CG2 3.86Å; R234-T246 PolarHBondContact NH1-OG1 3.07Å; T246-W248 HydrophobicContact CG2-CD2 4.33Å; T246-W248 HydrophobicContact CG2-CZ2 3.99Å; T246-W248 VanDerWaalsContact CG2-NE1 3.34Å
247	I	97.9	Very high	97.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132	174.6	-54.4	161.7	0	0	0	107.6	I233 C249 V266 L280 L283 S286	I233-I247 HydrophobicContact CB-CB 4.21Å; I233-I247 HydrophobicContact CG2-CD1 4.39Å; I233-I247 PolarHBondContact N-O 3.26Å; I233-I247 VanDerWaalsContact N-O 3.11Å; I233-I247 PolarHBondContact O-N 3.24Å; I247-C249 HydrophobicContact CG2-CB 4.09Å; I247-V266 HydrophobicContact CD1-CG1 4.08Å; I247-L280 HydrophobicContact CD1-CD2 4.45Å; I247-L283 HydrophobicContact CD1-CD2 3.83Å; I247-L283 HydrophobicContact CG1-CB 3.93Å; I247-L283 HydrophobicContact CG1-CD2 3.83Å; I247-L283 HydrophobicContact CG1-CG 4.44Å; I247-S286 VanDerWaalsContact CG2-OG 3.3Å; I247-S286 WeakPolarHBondContact CG2-OG 3.34Å
248	W	95.8	Very high	97.5	Very high	161 Å²	161	51.7 Å²	51.7	61%	0.61	27%	0.273	S	S	*	.			trans	-121.3	56.8	-178.2	-66.7	96.6	0	0	0	111	D230 T246	D230-W248 WeakPolarHBondContact O-CZ3 3.47Å; T246-W248 HydrophobicContact CG2-CD2 4.33Å; T246-W248 HydrophobicContact CG2-CZ2 3.99Å; T246-W248 VanDerWaalsContact CG2-NE1 3.34Å
249	C	95.3	Very high	97.5	Very high	21 Å²	21	52.4 Å²	52.4	14%	0.142	28%	0.278	C	S	.	.			trans	-91.9	-24.4	-179.6	57.9	0	0	0	0	113.4	I247 Y276 S286	I247-C249 HydrophobicContact CG2-CB 4.09Å; C249-Y276 HydrophobicContact CB-CD1 3.61Å; C249-Y276 HydrophobicContact CB-CD2 4.46Å; C249-Y276 HydrophobicContact CB-CE1 3.76Å; C249-Y276 HydrophobicContact CB-CG 3.97Å; C249-Y276 PolarHBondContact O-OH 3.16Å; C249-S286 WeakPolarHBondContact CB-OG 3.34Å
250	H	97.6	Very high	97.6	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.056	25%	0.254	C	S	.	.			trans	-90	147.3	179.7	-74.1	-87	0	0	0	112.1	V254 S268 D272 R274 Y276	H250-V254 HydrophobicContact CB-CG2 3.6Å; H250-V254 WeakPolarHBondContact CD2-CG2 3.43Å; H250-V254 VanDerWaalsContact CG-CG2 3.42Å; H250-S268 WeakPolarHBondContact NE2-CB 3.16Å; H250-S268 PolarHBondContact NE2-O 2.88Å; H250-S268 PolarHBondContact NE2-OG 2.93Å; H250-D272 WeakPolarHBondContact CA-OD2 3.3Å; H250-D272 WeakPolarHBondContact CB-OD2 3.45Å; H250-D272 IonicContact CE1-OD1 3.85Å; H250-D272 IonicContact CG-OD2 2.99Å; H250-D272 VanDerWaalsContact ND1-CG 3.29Å; H250-D272 IonicContact ND1-OD1 3.5Å; H250-D272 PolarHBondContact ND1-OD1 2.98Å; H250-D272 IonicContact ND1-OD2 3.65Å; H250-D272 PolarHBondContact ND1-OD2 2.91Å; H250-R274 PolarHBondContact CE1-O 3.19Å; H250-Y276 AromaticContact CD2-CD2 3.9Å; H250-Y276 AromaticContact CE1-CD2 3.32Å; H250-Y276 WeakPolarHBondContact CE1-CD2 3.48Å; H250-Y276 AromaticContact CE1-CE2 3.79Å; H250-Y276 AromaticContact ND1-CD2 3.74Å; H250-Y276 AromaticContact ND1-CE2 3.74Å; H250-Y276 AromaticContact NE2-CD2 3.44Å; H250-Y276 WeakPolarHBondContact NE2-CD2 3.47Å
251	S	97.1	Very high	97.4	Very high	98 Å²	98	53.2 Å²	53.2	69%	0.685	27%	0.269	S	S	*	.	S	Bend	trans	-94.2	-16.5	176.6	60.6	0	0	0	0	113.3	D272	S251-D272 PolarHBondContact N-OD2 3.4Å; S251-D272 VanDerWaalsContact N-OD2 3.13Å
252	E	98.5	Very high	97.4	Very high	80 Å²	80	54.3 Å²	54.3	37%	0.374	28%	0.278	S	S	.	.	S	Bend	trans	-136.2	179.2	178.4	-63.4	-166.9	116.3	0	0	111.3	A231 V254 R271 D272	A231-E252 WeakPolarHBondContact CA-O 3.21Å; A231-E252 VanDerWaalsContact CB-O 3.23Å; A231-E252 WeakPolarHBondContact CB-O 3.29Å; E252-V254 PolarHBondContact O-N 2.91Å; E252-R271 HydrophobicContact CB-CB 3.79Å; E252-R271 HydrophobicContact CB-CG 4.32Å; E252-R271 IonicContact OE1-NE 3.77Å; E252-R271 PolarHBondContact OE1-NE 2.98Å; E252-R271 VanDerWaalsContact OE2-C 3.31Å; E252-R271 WeakPolarHBondContact OE2-CB 3.39Å; E252-R271 WeakPolarHBondContact OE2-CD 3.45Å; E252-R271 WeakPolarHBondContact OE2-CG 3.35Å; E252-R271 IonicContact OE2-NE 3.88Å; E252-D272 HydrophobicContact CB-CB 4.14Å; E252-D272 HydrophobicContact CG-CB 4.38Å; E252-D272 PolarHBondContact OE2-N 2.98Å
253	G	98.6	Very high	97.4	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	26%	0.262	C	S	.	.			trans	-55.8	131.6	-176.4	0	0	0	0	0	114.5	W255 R271	G253-W255 PolarHBondContact O-NE1 3.28Å; G253-R271 PolarHBondContact O-N 2.88Å
254	V	98.9	Very high	97.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.1	179.8	-177.6	0	0	0	0	109.2	K213 A227 G228 I233 H250 E252 L257	K213-V254 WeakPolarHBondContact CB-O 3.43Å; A227-V254 HydrophobicContact CB-CB 3.78Å; A227-V254 HydrophobicContact CB-CG1 3.51Å; G228-V254 PolarHBondContact O-N 2.92Å; I233-V254 HydrophobicContact CG1-CG1 4.32Å; I233-V254 HydrophobicContact CG1-CG2 4.33Å; H250-V254 HydrophobicContact CB-CG2 3.6Å; H250-V254 WeakPolarHBondContact CD2-CG2 3.43Å; H250-V254 VanDerWaalsContact CG-CG2 3.42Å; E252-V254 PolarHBondContact O-N 2.91Å; V254-L257 HydrophobicContact CG1-CD2 4.42Å
255	W	98.8	Very high	97.2	Very high	61 Å²	61	47.4 Å²	47.4	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-19.1	-169.8	-59.4	-19.2	0	0	0	113.9	G253 A269 R271 P295 I296 L297 T313	G253-W255 PolarHBondContact O-NE1 3.28Å; W255-A269 PolarHBondContact N-O 2.88Å; W255-R271 HydrophobicContact CH2-CB 3.74Å; W255-R271 HydrophobicContact CH2-CG 3.64Å; W255-R271 HydrophobicContact CZ2-CB 3.43Å; W255-R271 VanDerWaalsContact CZ2-CB 3.43Å; W255-R271 HydrophobicContact CZ2-CG 3.53Å; W255-R271 HydrophobicContact CZ3-CB 4.42Å; W255-P295 HydrophobicContact CH2-CB 3.86Å; W255-P295 HydrophobicContact CZ3-CB 3.49Å; W255-P295 VanDerWaalsContact CZ3-CB 3.49Å; W255-I296 VanDerWaalsContact CE3-O 3.27Å; W255-L297 HydrophobicContact CE3-CD2 3.81Å; W255-L297 HydrophobicContact CZ3-CD2 3.91Å; W255-T313 HydrophobicContact CZ3-CG2 4.49Å
256	S	98.8	Very high	97.3	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.2	179.5	-156.2	0	0	0	0	111.9	A269 K298 L299	S256-A269 PolarHBondContact N-O 3.39Å; S256-A269 PolarHBondContact O-N 2.79Å; S256-A269 VanDerWaalsContact O-N 3.12Å; S256-K298 WeakPolarHBondContact OG-CA 3.43Å; S256-L299 PolarHBondContact OG-N 2.9Å
257	L	98.8	Very high	97.3	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.4	175.9	-70.7	175.1	0	0	0	109.3	A214 V216 V225 A227 I233 V254 V266 Y267	A214-L257 HydrophobicContact CB-CB 4.12Å; A214-L257 HydrophobicContact CB-CD1 3.97Å; A214-L257 HydrophobicContact CB-CG 3.84Å; V216-L257 HydrophobicContact CG2-CB 3.66Å; V225-L257 HydrophobicContact CG1-CD1 3.94Å; A227-L257 HydrophobicContact CB-CD1 3.5Å; A227-L257 VanDerWaalsContact CB-CD1 3.5Å; A227-L257 HydrophobicContact CB-CD2 3.96Å; A227-L257 HydrophobicContact CB-CG 3.72Å; I233-L257 HydrophobicContact CG1-CD2 4.4Å; I233-L257 HydrophobicContact CG2-CD2 4.16Å; V254-L257 HydrophobicContact CG1-CD2 4.42Å; L257-V266 HydrophobicContact CD2-CG2 3.81Å; L257-Y267 CarbonylContact C-O 3.59Å; L257-Y267 WeakPolarHBondContact CA-O 2.89Å
258	Q	98.1	Very high	97.3	Very high	48 Å²	48	45.4 Å²	45.4	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.2	164.5	-71.5	-66.8	-72.3	0	0	108.6	V266 Y267 L299 L301	Q258-V266 CarbonylContact O-C 3.16Å; Q258-V266 WeakPolarHBondContact O-CA 3.38Å; Q258-V266 WeakPolarHBondContact O-CG2 3.12Å; Q258-Y267 HydrophobicContact CB-CD2 4.48Å; Q258-Y267 PolarHBondContact N-O 3.02Å; Q258-Y267 PolarHBondContact O-N 2.65Å; Q258-L299 HydrophobicContact CG-CB 3.8Å; Q258-L299 WeakPolarHBondContact CG-O 3.48Å; Q258-L301 HydrophobicContact CB-CB 4.4Å
259	T	97.9	Very high	97.5	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.135	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.6	168	62.7	0	0	0	0	109.7	V216 F263 T265 V266 L280	V216-T259 HydrophobicContact CB-CG2 4.33Å; V216-T259 HydrophobicContact CG1-CG2 3.95Å; T259-F263 HydrophobicContact CG2-CD2 3.91Å; T259-F263 HydrophobicContact CG2-CE2 3.88Å; T259-T265 WeakPolarHBondContact CA-O 3.41Å; T259-T265 WeakPolarHBondContact CB-O 3.25Å; T259-V266 HydrophobicContact CG2-CB 4.29Å; T259-V266 HydrophobicContact CG2-CG2 4.27Å; T259-L280 HydrophobicContact CG2-CD1 4.46Å
260	D	96.5	Very high	97.6	Very high	30 Å²	30	36.8 Å²	36.8	16%	0.16	20%	0.199	C	C	.	.			trans	-66.2	167.2	161.7	59.4	13.1	0	0	0	111.2	N262 F263 S264 T265	D260-N262 PolarHBondContact O-N 3.3Å; D260-F263 PolarHBondContact O-N 3.44Å; D260-F263 VanDerWaalsContact O-N 3.09Å; D260-F263 WeakPolarHBondContact OD1-CA 3.25Å; D260-F263 PolarHBondContact OD1-N 2.99Å; D260-S264 PolarHBondContact OD1-N 2.89Å; D260-S264 PolarHBondContact OD1-OG 3.29Å; D260-S264 PolarHBondContact OD2-OG 3.18Å; D260-T265 PolarHBondContact N-O 2.97Å; D260-T265 VanDerWaalsContact N-O 3.13Å; D260-T265 PolarHBondContact OD1-N 2.76Å; D260-T265 VanDerWaalsContact OD1-N 3.08Å; D260-T265 WeakPolarHBondContact OD2-CB 3.43Å; D260-T265 PolarHBondContact OD2-N 3.15Å; D260-T265 VanDerWaalsContact OD2-N 3.07Å; D260-T265 PolarHBondContact OD2-OG1 2.84Å
261	D	93.7	Very high	97.7	Very high	159 Å²	159	42.5 Å²	42.5	85%	0.85	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.6	-178.6	-72.5	-28.7	0	0	0	113	F263	D261-F263 VanDerWaalsContact C-N 3.3Å
262	N	95.7	Very high	97.7	Very high	140 Å²	140	38.5 Å²	38.5	75%	0.749	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5	179.5	-68.6	-28.7	0	0	0	113.3	D260 S264	D260-N262 PolarHBondContact O-N 3.3Å; N262-S264 WeakPolarHBondContact CB-OG 3.2Å; N262-S264 PolarHBondContact O-N 3.21Å
263	F	96.5	Very high	97.7	Very high	34 Å²	34	38.2 Å²	38.2	15%	0.149	19%	0.189	C	C	.	.	S	Bend	trans	53.8	35.3	-174.4	-152.8	-97.1	0	0	0	112.2	V216 H223 V225 L235 T259 D260 D261 L280	V216-F263 HydrophobicContact CG1-CE2 4.21Å; H223-F263 HydrophobicContact CB-CD1 4.44Å; H223-F263 HydrophobicContact CB-CE1 3.79Å; H223-F263 HydrophobicContact CB-CZ 4.38Å; V225-F263 HydrophobicContact CB-CZ 4.45Å; V225-F263 HydrophobicContact CG2-CE1 3.99Å; V225-F263 HydrophobicContact CG2-CZ 3.68Å; L235-F263 HydrophobicContact CD1-CE1 3.95Å; T259-F263 HydrophobicContact CG2-CD2 3.91Å; T259-F263 HydrophobicContact CG2-CE2 3.88Å; D260-F263 PolarHBondContact O-N 3.44Å; D260-F263 VanDerWaalsContact O-N 3.09Å; D260-F263 WeakPolarHBondContact OD1-CA 3.25Å; D260-F263 PolarHBondContact OD1-N 2.99Å; D261-F263 VanDerWaalsContact C-N 3.3Å; F263-L280 HydrophobicContact CD1-CD1 3.91Å; F263-L280 HydrophobicContact CE1-CD1 4.03Å; F263-L280 HydrophobicContact CG-CD1 4.41Å; F263-L280 WeakPolarHBondContact O-CD1 3.31Å
264	S	95.9	Very high	97.7	Very high	31 Å²	31	40.9 Å²	40.9	22%	0.217	20%	0.196	C	C	.	.			trans	-99.4	-30.1	178.2	38.6	0	0	0	0	113	D260 N262 L280	D260-S264 PolarHBondContact OD1-N 2.89Å; D260-S264 PolarHBondContact OD1-OG 3.29Å; D260-S264 PolarHBondContact OD2-OG 3.18Å; N262-S264 WeakPolarHBondContact CB-OG 3.2Å; N262-S264 PolarHBondContact O-N 3.21Å; S264-L280 PolarHBondContact O-N 2.99Å
265	T	96.3	Very high	97.7	Very high	24 Å²	24	40.9 Å²	40.9	15%	0.147	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136	-176.6	-47	0	0	0	0	109	T259 D260 Y267 M277 S278	T259-T265 WeakPolarHBondContact CA-O 3.41Å; T259-T265 WeakPolarHBondContact CB-O 3.25Å; D260-T265 PolarHBondContact N-O 2.97Å; D260-T265 VanDerWaalsContact N-O 3.13Å; D260-T265 PolarHBondContact OD1-N 2.76Å; D260-T265 VanDerWaalsContact OD1-N 3.08Å; D260-T265 WeakPolarHBondContact OD2-CB 3.43Å; D260-T265 PolarHBondContact OD2-N 3.15Å; D260-T265 VanDerWaalsContact OD2-N 3.07Å; D260-T265 PolarHBondContact OD2-OG1 2.84Å; T265-Y267 HydrophobicContact CG2-CE2 4.31Å; T265-M277 HydrophobicContact CG2-CG 3.43Å; T265-M277 VanDerWaalsContact CG2-CG 3.43Å; T265-M277 HydrophobicContact CG2-SD 4.08Å; T265-S278 WeakPolarHBondContact CA-O 3.28Å
266	V	98.1	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.7	172.4	63.5	0	0	0	0	110.1	V225 I247 L257 Q258 T259 M277 S278 L280	V225-V266 HydrophobicContact CG1-CG2 4.2Å; I247-V266 HydrophobicContact CD1-CG1 4.08Å; L257-V266 HydrophobicContact CD2-CG2 3.81Å; Q258-V266 CarbonylContact O-C 3.16Å; Q258-V266 WeakPolarHBondContact O-CA 3.38Å; Q258-V266 WeakPolarHBondContact O-CG2 3.12Å; T259-V266 HydrophobicContact CG2-CB 4.29Å; T259-V266 HydrophobicContact CG2-CG2 4.27Å; V266-M277 WeakPolarHBondContact O-CA 3.46Å; V266-S278 PolarHBondContact N-O 3.21Å; V266-S278 PolarHBondContact O-N 3.25Å; V266-L280 HydrophobicContact CB-CD1 4.37Å; V266-L280 HydrophobicContact CB-CD2 4.08Å; V266-L280 HydrophobicContact CB-CG 4.24Å; V266-L280 HydrophobicContact CG1-CD2 3.7Å; V266-L280 HydrophobicContact CG1-CG 4.15Å
267	Y	98.5	Very high	97.5	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.059	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.1	169.1	-55.3	-86.6	0	0	0	108.7	L257 Q258 T265 Y276 M277 L289 L301 L308 T322	L257-Y267 CarbonylContact C-O 3.59Å; L257-Y267 WeakPolarHBondContact CA-O 2.89Å; Q258-Y267 HydrophobicContact CB-CD2 4.48Å; Q258-Y267 PolarHBondContact N-O 3.02Å; Q258-Y267 PolarHBondContact O-N 2.65Å; T265-Y267 HydrophobicContact CG2-CE2 4.31Å; Y267-Y276 CarbonylContact C-O 3.59Å; Y267-Y276 VanDerWaalsContact CA-O 3.26Å; Y267-Y276 WeakPolarHBondContact CA-O 3.16Å; Y267-M277 HydrophobicContact CD1-CB 4.08Å; Y267-M277 HydrophobicContact CD1-CG 4.12Å; Y267-M277 HydrophobicContact CE1-CB 4.07Å; Y267-M277 HydrophobicContact CE1-CG 3.71Å; Y267-M277 HydrophobicContact CE1-SD 3.84Å; Y267-L289 HydrophobicContact CD1-CD1 3.76Å; Y267-L289 HydrophobicContact CE1-CD1 3.8Å; Y267-L301 HydrophobicContact CD2-CD1 4.22Å; Y267-L301 HydrophobicContact CD2-CD2 4.39Å; Y267-L301 HydrophobicContact CE2-CD1 3.8Å; Y267-L301 HydrophobicContact CE2-CD2 3.91Å; Y267-L308 HydrophobicContact CD1-CD1 3.71Å; Y267-L308 HydrophobicContact CE1-CD1 4.19Å; Y267-L308 HydrophobicContact CG-CD1 4.09Å; Y267-L308 HydrophobicContact CG-CD2 4.47Å; Y267-T322 HydrophobicContact CE1-CG2 4.16Å
268	S	98.7	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.1	-175.8	58.7	0	0	0	0	111.8	I233 H250 V275 Y276	I233-S268 WeakPolarHBondContact CD1-OG 3.42Å; H250-S268 WeakPolarHBondContact NE2-CB 3.16Å; H250-S268 PolarHBondContact NE2-O 2.88Å; H250-S268 PolarHBondContact NE2-OG 2.93Å; S268-V275 WeakPolarHBondContact O-CA 3.25Å; S268-Y276 PolarHBondContact N-O 3.49Å; S268-Y276 PolarHBondContact O-N 2.89Å
269	A	98.8	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158.8	179	0	0	0	0	0	111.8	W255 S256 R274 V275 I296 L299	W255-A269 PolarHBondContact N-O 2.88Å; S256-A269 PolarHBondContact N-O 3.39Å; S256-A269 PolarHBondContact O-N 2.79Å; S256-A269 VanDerWaalsContact O-N 3.12Å; A269-R274 WeakPolarHBondContact CA-O 3.14Å; A269-V275 HydrophobicContact CB-CG2 3.98Å; A269-I296 HydrophobicContact CB-CB 3.83Å; A269-I296 HydrophobicContact CB-CD1 3.85Å; A269-I296 HydrophobicContact CB-CG1 4.46Å; A269-I296 HydrophobicContact CB-CG2 3.5Å; A269-L299 HydrophobicContact CB-CD1 3.74Å; A269-L299 HydrophobicContact CB-CD2 3.88Å; A269-L299 HydrophobicContact CB-CG 3.84Å
270	G	98.6	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-133.7	176.8	0	0	0	0	0	113.6	D272 K273 I296	G270-D272 PolarHBondContact O-N 3.01Å; G270-K273 PolarHBondContact O-N 3.3Å; G270-I296 WeakPolarHBondContact CA-O 3.02Å; G270-I296 PolarHBondContact O-N 3.36Å
271	R	98.8	Very high	96.8	Very high	132 Å²	132	46.7 Å²	46.7	50%	0.498	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36.7	-168.5	-163.8	-176.3	171.4	123.4	3.6	113.6	E252 G253 W255 K273	E252-R271 HydrophobicContact CB-CB 3.79Å; E252-R271 HydrophobicContact CB-CG 4.32Å; E252-R271 IonicContact OE1-NE 3.77Å; E252-R271 PolarHBondContact OE1-NE 2.98Å; E252-R271 VanDerWaalsContact OE2-C 3.31Å; E252-R271 WeakPolarHBondContact OE2-CB 3.39Å; E252-R271 WeakPolarHBondContact OE2-CD 3.45Å; E252-R271 WeakPolarHBondContact OE2-CG 3.35Å; E252-R271 IonicContact OE2-NE 3.88Å; G253-R271 PolarHBondContact O-N 2.88Å; W255-R271 HydrophobicContact CH2-CB 3.74Å; W255-R271 HydrophobicContact CH2-CG 3.64Å; W255-R271 HydrophobicContact CZ2-CB 3.43Å; W255-R271 VanDerWaalsContact CZ2-CB 3.43Å; W255-R271 HydrophobicContact CZ2-CG 3.53Å; W255-R271 HydrophobicContact CZ3-CB 4.42Å; R271-K273 PolarHBondContact O-N 3.2Å; R271-K273 VanDerWaalsContact O-N 3.13Å
272	D	98.1	Very high	96.7	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.08	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	3.7	-179.8	63.8	2.3	0	0	0	114	H250 S251 E252 G270 R274	H250-D272 WeakPolarHBondContact CA-OD2 3.3Å; H250-D272 WeakPolarHBondContact CB-OD2 3.45Å; H250-D272 IonicContact CE1-OD1 3.85Å; H250-D272 IonicContact CG-OD2 2.99Å; H250-D272 VanDerWaalsContact ND1-CG 3.29Å; H250-D272 IonicContact ND1-OD1 3.5Å; H250-D272 PolarHBondContact ND1-OD1 2.98Å; H250-D272 IonicContact ND1-OD2 3.65Å; H250-D272 PolarHBondContact ND1-OD2 2.91Å; S251-D272 PolarHBondContact N-OD2 3.4Å; S251-D272 VanDerWaalsContact N-OD2 3.13Å; E252-D272 HydrophobicContact CB-CB 4.14Å; E252-D272 HydrophobicContact CG-CB 4.38Å; E252-D272 PolarHBondContact OE2-N 2.98Å; G270-D272 PolarHBondContact O-N 3.01Å; D272-R274 PolarHBondContact O-N 3.33Å; D272-R274 PolarHBondContact OD1-N 3.14Å
273	K	98.4	Very high	96.4	Very high	74 Å²	74	36.6 Å²	36.6	32%	0.322	17%	0.171	S	C	.	.			trans	66.2	2.9	172.7	-36.5	176.9	-178.8	-175.7	0	115.2	G270 R271 E291 E292 E293 P295 I296	G270-K273 PolarHBondContact O-N 3.3Å; R271-K273 PolarHBondContact O-N 3.2Å; R271-K273 VanDerWaalsContact O-N 3.13Å; K273-E291 HydrophobicContact CB-CG 4.39Å; K273-E292 VanDerWaalsContact CB-O 3.3Å; K273-E292 WeakPolarHBondContact CB-O 3.28Å; K273-E292 WeakPolarHBondContact CD-O 3.36Å; K273-E292 PolarHBondContact O-N 2.84Å; K273-E293 PolarHBondContact NZ-O 3.33Å; K273-P295 HydrophobicContact CG-CG 4.48Å; K273-I296 VanDerWaalsContact O-CD1 3.24Å; K273-I296 WeakPolarHBondContact O-CD1 3.28Å
274	R	98.3	Very high	96	Very high	63 Å²	63	43.3 Å²	43.3	24%	0.238	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146	179.8	-71.4	179.7	173.4	-177.1	-3	110.9	H250 A269 D272 Y276 V288 E291	H250-R274 PolarHBondContact CE1-O 3.19Å; A269-R274 WeakPolarHBondContact CA-O 3.14Å; D272-R274 PolarHBondContact O-N 3.33Å; D272-R274 PolarHBondContact OD1-N 3.14Å; R274-Y276 HydrophobicContact CB-CD2 4.12Å; R274-Y276 HydrophobicContact CB-CE2 3.57Å; R274-V288 HydrophobicContact CG-CG1 4.45Å; R274-E291 HydrophobicContact CG-CB 4.29Å; R274-E291 HydrophobicContact CG-CG 3.94Å; R274-E291 IonicContact CZ-OE2 2.97Å; R274-E291 IonicContact NE-OE2 3.83Å; R274-E291 PolarHBondContact NE-OE2 2.76Å; R274-E291 IonicContact NH2-OE2 3Å; R274-E291 PolarHBondContact NH2-OE2 3.39Å
275	V	98.4	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.8	168.3	-176.3	0	0	0	0	108.7	S268 A269 L289 F290 I296 L299 L308	S268-V275 WeakPolarHBondContact O-CA 3.25Å; A269-V275 HydrophobicContact CB-CG2 3.98Å; V275-L289 HydrophobicContact CG1-CD1 4.34Å; V275-L289 PolarHBondContact O-N 2.81Å; V275-F290 HydrophobicContact CB-CD2 4.19Å; V275-F290 HydrophobicContact CB-CE1 4.19Å; V275-F290 HydrophobicContact CB-CE2 3.82Å; V275-F290 HydrophobicContact CB-CZ 3.81Å; V275-F290 HydrophobicContact CG1-CE1 4.27Å; V275-F290 HydrophobicContact CG1-CE2 4.5Å; V275-F290 HydrophobicContact CG1-CZ 4.01Å; V275-F290 HydrophobicContact CG2-CD2 3.86Å; V275-F290 HydrophobicContact CG2-CE1 4.4Å; V275-F290 HydrophobicContact CG2-CE2 3.23Å; V275-F290 HydrophobicContact CG2-CZ 3.54Å; V275-F290 PolarHBondContact N-O 2.75Å; V275-I296 HydrophobicContact CG2-CD1 3.45Å; V275-I296 VanDerWaalsContact CG2-CD1 3.45Å; V275-L299 HydrophobicContact CG1-CD1 4.32Å; V275-L299 HydrophobicContact CG1-CD2 4.28Å; V275-L299 HydrophobicContact CG2-CD2 3.99Å; V275-L308 HydrophobicContact CG1-CD1 4.23Å
276	Y	97.5	Very high	95.4	Very high	21 Å²	21	44.6 Å²	44.6	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.5	174.3	-70.6	-97.8	0	0	0	110.8	C249 H250 Y267 S268 R274 V287 V288	C249-Y276 HydrophobicContact CB-CD1 3.61Å; C249-Y276 HydrophobicContact CB-CD2 4.46Å; C249-Y276 HydrophobicContact CB-CE1 3.76Å; C249-Y276 HydrophobicContact CB-CG 3.97Å; C249-Y276 PolarHBondContact O-OH 3.16Å; H250-Y276 AromaticContact CD2-CD2 3.9Å; H250-Y276 AromaticContact CE1-CD2 3.32Å; H250-Y276 WeakPolarHBondContact CE1-CD2 3.48Å; H250-Y276 AromaticContact CE1-CE2 3.79Å; H250-Y276 AromaticContact ND1-CD2 3.74Å; H250-Y276 AromaticContact ND1-CE2 3.74Å; H250-Y276 AromaticContact NE2-CD2 3.44Å; H250-Y276 WeakPolarHBondContact NE2-CD2 3.47Å; Y267-Y276 CarbonylContact C-O 3.59Å; Y267-Y276 VanDerWaalsContact CA-O 3.26Å; Y267-Y276 WeakPolarHBondContact CA-O 3.16Å; S268-Y276 PolarHBondContact N-O 3.49Å; S268-Y276 PolarHBondContact O-N 2.89Å; R274-Y276 HydrophobicContact CB-CD2 4.12Å; R274-Y276 HydrophobicContact CB-CE2 3.57Å; Y276-V287 CarbonylContact C-O 3.54Å; Y276-V287 VanDerWaalsContact CA-O 3.29Å; Y276-V287 WeakPolarHBondContact CA-O 3.2Å; Y276-V288 HydrophobicContact CD1-CG2 3.96Å; Y276-V288 HydrophobicContact CE1-CB 4.46Å; Y276-V288 HydrophobicContact CE1-CG2 3.34Å
277	M	96.2	Very high	95.1	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.1	164.7	-178.2	179.4	66.5	0	0	108.3	T265 V266 Y267 S286 V287 L289 M331 M333	T265-M277 HydrophobicContact CG2-CG 3.43Å; T265-M277 VanDerWaalsContact CG2-CG 3.43Å; T265-M277 HydrophobicContact CG2-SD 4.08Å; V266-M277 WeakPolarHBondContact O-CA 3.46Å; Y267-M277 HydrophobicContact CD1-CB 4.08Å; Y267-M277 HydrophobicContact CD1-CG 4.12Å; Y267-M277 HydrophobicContact CE1-CB 4.07Å; Y267-M277 HydrophobicContact CE1-CG 3.71Å; Y267-M277 HydrophobicContact CE1-SD 3.84Å; M277-S286 WeakPolarHBondContact O-CA 3.33Å; M277-V287 PolarHBondContact N-O 3.15Å; M277-V287 PolarHBondContact O-N 2.88Å; M277-L289 HydrophobicContact CB-CD1 3.91Å; M277-L289 HydrophobicContact CB-CD2 3.99Å; M277-L289 HydrophobicContact CB-CG 3.79Å; M277-L289 HydrophobicContact CE-CD2 4.12Å; M277-L289 HydrophobicContact SD-CD2 4.27Å; M277-M331 HydrophobicContact CE-CE 4.4Å; M277-M333 HydrophobicContact CE-SD 4.42Å
278	S	95.5	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.6	-178.9	-47.4	0	0	0	0	111.3	T265 V266 S286	T265-S278 WeakPolarHBondContact CA-O 3.28Å; V266-S278 PolarHBondContact N-O 3.21Å; V266-S278 PolarHBondContact O-N 3.25Å; S278-S286 WeakPolarHBondContact OG-CB 3.1Å; S278-S286 PolarHBondContact OG-OG 3.25Å
279	N	94.1	Very high	94.9	Very high	50 Å²	50	45 Å²	45	27%	0.267	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.9	176.4	-170.9	-61.3	0	0	0	110.3	K281 C282 M333	N279-K281 PolarHBondContact O-N 3.31Å; N279-K281 WeakPolarHBondContact OD1-CA 3.44Å; N279-K281 VanDerWaalsContact OD1-CB 3.28Å; N279-K281 WeakPolarHBondContact OD1-CB 3.27Å; N279-K281 PolarHBondContact OD1-N 2.88Å; N279-C282 HydrophobicContact CB-CB 4.41Å; N279-C282 CarbonylContact O-C 3.49Å; N279-C282 PolarHBondContact O-N 3.41Å; N279-C282 PolarHBondContact OD1-N 3.44Å; N279-M333 HydrophobicContact CB-CE 3.98Å
280	L	95.2	Very high	94.8	Very high	16 Å²	16	45 Å²	45	8%	0.084	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.2	-177.4	-69.2	174	0	0	0	114	V225 L235 I247 T259 F263 S264 V266 L283	V225-L280 HydrophobicContact CG2-CD1 3.94Å; V225-L280 HydrophobicContact CG2-CD2 3.77Å; L235-L280 HydrophobicContact CD1-CD2 4.48Å; I247-L280 HydrophobicContact CD1-CD2 4.45Å; T259-L280 HydrophobicContact CG2-CD1 4.46Å; F263-L280 HydrophobicContact CD1-CD1 3.91Å; F263-L280 HydrophobicContact CE1-CD1 4.03Å; F263-L280 HydrophobicContact CG-CD1 4.41Å; F263-L280 WeakPolarHBondContact O-CD1 3.31Å; S264-L280 PolarHBondContact O-N 2.99Å; V266-L280 HydrophobicContact CB-CD1 4.37Å; V266-L280 HydrophobicContact CB-CD2 4.08Å; V266-L280 HydrophobicContact CB-CG 4.24Å; V266-L280 HydrophobicContact CG1-CD2 3.7Å; V266-L280 HydrophobicContact CG1-CG 4.15Å; L280-L283 HydrophobicContact CD2-CD2 4.31Å; L280-L283 WeakPolarHBondContact O-CD2 3.49Å
281	K	92.1	Very high	94.7	Very high	190 Å²	190	49.1 Å²	49.1	83%	0.826	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-20.9	170.2	-58.8	-179.3	179.1	175.8	0	112.9	N279	N279-K281 PolarHBondContact O-N 3.31Å; N279-K281 WeakPolarHBondContact OD1-CA 3.44Å; N279-K281 VanDerWaalsContact OD1-CB 3.28Å; N279-K281 WeakPolarHBondContact OD1-CB 3.27Å; N279-K281 PolarHBondContact OD1-N 2.88Å
282	C	90.6	Very high	94.7	Very high	51 Å²	51	43.4 Å²	43.4	35%	0.345	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	81.7	178.6	-168.5	0	0	0	0	109.8	N279 E284 H285	N279-C282 HydrophobicContact CB-CB 4.41Å; N279-C282 CarbonylContact O-C 3.49Å; N279-C282 PolarHBondContact O-N 3.41Å; N279-C282 PolarHBondContact OD1-N 3.44Å; C282-E284 PolarHBondContact O-N 2.91Å; C282-H285 PolarHBondContact O-N 3.45Å
283	L	89.9	Confident	94.6	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.188	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-8.8	-169.5	-57.4	178	0	0	0	114.3	L235 G245 I247 L280	L235-L283 HydrophobicContact CD2-CD2 4.46Å; G245-L283 VanDerWaalsContact CA-CD1 3.5Å; I247-L283 HydrophobicContact CD1-CD2 3.83Å; I247-L283 HydrophobicContact CG1-CB 3.93Å; I247-L283 HydrophobicContact CG1-CD2 3.83Å; I247-L283 HydrophobicContact CG1-CG 4.44Å; L280-L283 HydrophobicContact CD2-CD2 4.31Å; L280-L283 WeakPolarHBondContact O-CD2 3.49Å
284	E	87.9	Confident	94.6	Very high	175 Å²	175	46.7 Å²	46.7	82%	0.818	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	-17	178.1	-63.1	-178.5	173	0	0	112	C282	C282-E284 PolarHBondContact O-N 2.91Å
285	H	86.4	Confident	94.7	Very high	68 Å²	68	45.1 Å²	45.1	32%	0.315	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.3	-173.6	-63.7	-179.2	0	0	0	111.3	C282 M333	C282-H285 PolarHBondContact O-N 3.45Å; H285-M333 PolarHBondContact CE1-O 3.04Å; H285-M333 VanDerWaalsContact CG-O 3.28Å; H285-M333 PolarHBondContact ND1-O 3.39Å
286	S	92.9	Very high	94.7	Very high	14 Å²	14	45.1 Å²	45.1	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.9	173.7	-60.2	0	0	0	0	109.6	I247 C249 M277 S278	I247-S286 VanDerWaalsContact CG2-OG 3.3Å; I247-S286 WeakPolarHBondContact CG2-OG 3.34Å; C249-S286 WeakPolarHBondContact CB-OG 3.34Å; M277-S286 WeakPolarHBondContact O-CA 3.33Å; S278-S286 WeakPolarHBondContact OG-CB 3.1Å; S278-S286 PolarHBondContact OG-OG 3.25Å
287	V	93	Very high	94.7	Very high	23 Å²	23	45.1 Å²	45.1	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.4	177.6	178.5	0	0	0	0	108.9	Y276 M277 L289 M333	Y276-V287 CarbonylContact C-O 3.54Å; Y276-V287 VanDerWaalsContact CA-O 3.29Å; Y276-V287 WeakPolarHBondContact CA-O 3.2Å; M277-V287 PolarHBondContact N-O 3.15Å; M277-V287 PolarHBondContact O-N 2.88Å; V287-L289 PolarHBondContact O-N 3.11Å; V287-M333 HydrophobicContact CG2-SD 3.98Å
288	V	95.7	Very high	94.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	109.9	169.1	-175.8	0	0	0	0	108	R274 Y276 P340 L341	R274-V288 HydrophobicContact CG-CG1 4.45Å; Y276-V288 HydrophobicContact CD1-CG2 3.96Å; Y276-V288 HydrophobicContact CE1-CB 4.46Å; Y276-V288 HydrophobicContact CE1-CG2 3.34Å; V288-P340 HydrophobicContact CG1-CB 4.4Å; V288-P340 HydrophobicContact CG1-CG 4.13Å; V288-L341 PolarHBondContact O-N 2.73Å
289	L	95.9	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-54.9	175.8	-70.3	-177	0	0	0	110.6	Y267 V275 M277 V287 L308 L341 I342	Y267-L289 HydrophobicContact CD1-CD1 3.76Å; Y267-L289 HydrophobicContact CE1-CD1 3.8Å; V275-L289 HydrophobicContact CG1-CD1 4.34Å; V275-L289 PolarHBondContact O-N 2.81Å; M277-L289 HydrophobicContact CB-CD1 3.91Å; M277-L289 HydrophobicContact CB-CD2 3.99Å; M277-L289 HydrophobicContact CB-CG 3.79Å; M277-L289 HydrophobicContact CE-CD2 4.12Å; M277-L289 HydrophobicContact SD-CD2 4.27Å; V287-L289 PolarHBondContact O-N 3.11Å; L289-L308 HydrophobicContact CD1-CD1 4.16Å; L289-L341 HydrophobicContact CD2-CD2 4.24Å; L289-L341 PolarHBondContact O-N 2.9Å; L289-L341 VanDerWaalsContact O-N 3.13Å; L289-I342 WeakPolarHBondContact O-CB 3.44Å; L289-I342 PolarHBondContact O-N 2.87Å
290	F	97.3	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	169.5	-179.1	53.3	-94.6	0	0	0	111.2	V275 L308 V310 W320 I342	V275-F290 HydrophobicContact CB-CD2 4.19Å; V275-F290 HydrophobicContact CB-CE1 4.19Å; V275-F290 HydrophobicContact CB-CE2 3.82Å; V275-F290 HydrophobicContact CB-CZ 3.81Å; V275-F290 HydrophobicContact CG1-CE1 4.27Å; V275-F290 HydrophobicContact CG1-CE2 4.5Å; V275-F290 HydrophobicContact CG1-CZ 4.01Å; V275-F290 HydrophobicContact CG2-CD2 3.86Å; V275-F290 HydrophobicContact CG2-CE1 4.4Å; V275-F290 HydrophobicContact CG2-CE2 3.23Å; V275-F290 HydrophobicContact CG2-CZ 3.54Å; V275-F290 PolarHBondContact N-O 2.75Å; F290-L308 HydrophobicContact CE1-CD1 4.35Å; F290-L308 HydrophobicContact CZ-CD1 4.44Å; F290-V310 HydrophobicContact CE2-CG2 3.84Å; F290-V310 HydrophobicContact CZ-CG2 3.74Å; F290-W320 HydrophobicContact CB-CD2 4.22Å; F290-W320 HydrophobicContact CB-CE3 3.59Å; F290-W320 HydrophobicContact CB-CH2 4.07Å; F290-W320 HydrophobicContact CB-CZ3 3.5Å; F290-W320 VanDerWaalsContact CB-CZ3 3.5Å; F290-W320 HydrophobicContact CD1-CB 3.82Å; F290-W320 AromaticContact CD1-CD2 3.91Å; F290-W320 HydrophobicContact CD1-CD2 3.91Å; F290-W320 AromaticContact CD1-CE3 3.78Å; F290-W320 HydrophobicContact CD1-CE3 3.78Å; F290-W320 AromaticContact CD1-CG 3.97Å; F290-W320 HydrophobicContact CD1-CG 3.97Å; F290-W320 AromaticContact CD2-CD2 3.49Å; F290-W320 HydrophobicContact CD2-CD2 3.49Å; F290-W320 VanDerWaalsContact CD2-CD2 3.49Å; F290-W320 AromaticContact CD2-CE2 3.59Å; F290-W320 AromaticContact CD2-CE3 3.78Å; F290-W320 HydrophobicContact CD2-CE3 3.78Å; F290-W320 AromaticContact CD2-CG 3.86Å; F290-W320 HydrophobicContact CD2-CG 3.86Å; F290-W320 HydrophobicContact CD2-CH2 4.23Å; F290-W320 AromaticContact CD2-CZ2 3.97Å; F290-W320 HydrophobicContact CD2-CZ2 3.97Å; F290-W320 HydrophobicContact CD2-CZ3 4.14Å; F290-W320 AromaticContact CD2-NE1 3.95Å; F290-W320 HydrophobicContact CE1-CB 3.33Å; F290-W320 HydrophobicContact CE1-CD2 4.13Å; F290-W320 HydrophobicContact CE1-CE3 4.42Å; F290-W320 AromaticContact CE1-CG 3.69Å; F290-W320 HydrophobicContact CE1-CG 3.69Å; F290-W320 HydrophobicContact CE2-CB 4.1Å; F290-W320 AromaticContact CE2-CD1 3.54Å; F290-W320 AromaticContact CE2-CD2 3.7Å; F290-W320 HydrophobicContact CE2-CD2 3.7Å; F290-W320 AromaticContact CE2-CE2 3.79Å; F290-W320 HydrophobicContact CE2-CE3 4.39Å; F290-W320 AromaticContact CE2-CG 3.54Å; F290-W320 HydrophobicContact CE2-CG 3.54Å; F290-W320 AromaticContact CE2-NE1 3.66Å; F290-W320 HydrophobicContact CG-CB 4.41Å; F290-W320 AromaticContact CG-CD2 3.6Å; F290-W320 HydrophobicContact CG-CD2 3.6Å; F290-W320 AromaticContact CG-CE3 3.43Å; F290-W320 HydrophobicContact CG-CE3 3.43Å; F290-W320 VanDerWaalsContact CG-CE3 3.43Å; F290-W320 HydrophobicContact CG-CG 4.06Å; F290-W320 HydrophobicContact CG-CH2 4.36Å; F290-W320 HydrophobicContact CG-CZ2 4.5Å; F290-W320 AromaticContact CG-CZ3 3.84Å; F290-W320 HydrophobicContact CG-CZ3 3.84Å; F290-W320 HydrophobicContact CZ-CB 3.49Å; F290-W320 VanDerWaalsContact CZ-CB 3.49Å; F290-W320 AromaticContact CZ-CD1 3.69Å; F290-W320 HydrophobicContact CZ-CD2 4.02Å; F290-W320 AromaticContact CZ-CG 3.46Å; F290-W320 HydrophobicContact CZ-CG 3.46Å; F290-W320 VanDerWaalsContact CZ-CG 3.46Å; F290-I342 HydrophobicContact CB-CB 4.35Å; F290-I342 WeakPolarHBondContact CB-O 3.25Å
291	E	97.4	Very high	95.4	Very high	85 Å²	85	45.5 Å²	45.5	40%	0.397	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.6	178.5	-171.1	171.6	145.2	0	0	110.3	K273 R274 P340	K273-E291 HydrophobicContact CB-CG 4.39Å; R274-E291 HydrophobicContact CG-CB 4.29Å; R274-E291 HydrophobicContact CG-CG 3.94Å; R274-E291 IonicContact CZ-OE2 2.97Å; R274-E291 IonicContact NE-OE2 3.83Å; R274-E291 PolarHBondContact NE-OE2 2.76Å; R274-E291 IonicContact NH2-OE2 3Å; R274-E291 PolarHBondContact NH2-OE2 3.39Å; E291-P340 HydrophobicContact CB-CG 4.33Å
292	E	98	Very high	95.6	Very high	12 Å²	12	37 Å²	37	6%	0.056	19%	0.188	C	C	.	.			trans	-90.5	161.9	173.4	-81.6	-70.1	172.3	0	0	112.1	K273 A294 I296 V310 T312 K318 W320	K273-E292 VanDerWaalsContact CB-O 3.3Å; K273-E292 WeakPolarHBondContact CB-O 3.28Å; K273-E292 WeakPolarHBondContact CD-O 3.36Å; K273-E292 PolarHBondContact O-N 2.84Å; E292-A294 VanDerWaalsContact C-N 3.27Å; E292-A294 PolarHBondContact O-N 2.78Å; E292-I296 HydrophobicContact CB-CD1 4.08Å; E292-I296 HydrophobicContact CB-CG1 3.97Å; E292-I296 HydrophobicContact CG-CD1 3.93Å; E292-I296 HydrophobicContact CG-CG1 3.93Å; E292-V310 HydrophobicContact CG-CG1 4.05Å; E292-T312 HydrophobicContact CB-CG2 4.11Å; E292-T312 HydrophobicContact CG-CG2 3.94Å; E292-K318 VanDerWaalsContact OE1-CD 3.28Å; E292-K318 WeakPolarHBondContact OE1-CD 3.37Å; E292-K318 WeakPolarHBondContact OE2-CD 3.38Å; E292-K318 IonicContact OE2-NZ 2.64Å; E292-K318 PolarHBondContact OE2-NZ 3.06Å; E292-W320 PolarHBondContact OE1-NE1 2.59Å
293	E	96.7	Very high	95.8	Very high	150 Å²	150	37.2 Å²	37.2	70%	0.701	19%	0.186	S	C	*	.	S	Bend	trans	-73.6	-22.3	176.7	-66.8	166.9	-159.8	0	0	112.5	K273 K318	K273-E293 PolarHBondContact NZ-O 3.33Å; E293-K318 IonicContact OE1-NZ 2.83Å
294	A	98.4	Very high	95.9	Very high	9 Å²	9	43.1 Å²	43.1	7%	0.074	22%	0.218	C	C	.	.	S	Bend	trans	-135.2	155.2	-174.6	0	0	0	0	0	112.2	E292 I296 E314	E292-A294 VanDerWaalsContact C-N 3.27Å; E292-A294 PolarHBondContact O-N 2.78Å; A294-I296 PolarHBondContact O-N 3.27Å; A294-E314 HydrophobicContact CB-CB 4.36Å; A294-E314 HydrophobicContact CB-CG 3.66Å
295	P	98.8	Very high	96.2	Very high	30 Å²	30	35.6 Å²	35.6	20%	0.195	19%	0.187	C	C	.	.			trans	-50.2	132	177	-32.1	37.9	0	0	0	113.4	W255 K273 T312 T313	W255-P295 HydrophobicContact CH2-CB 3.86Å; W255-P295 HydrophobicContact CZ3-CB 3.49Å; W255-P295 VanDerWaalsContact CZ3-CB 3.49Å; K273-P295 HydrophobicContact CG-CG 4.48Å; P295-T312 CarbonylContact O-C 3.52Å; P295-T312 WeakPolarHBondContact O-CA 3.49Å; P295-T312 VanDerWaalsContact O-CB 3.24Å; P295-T312 WeakPolarHBondContact O-CB 3.43Å; P295-T313 HydrophobicContact CB-CG2 4.01Å; P295-T313 WeakPolarHBondContact CD-OG1 3.27Å; P295-T313 PolarHBondContact O-N 3.03Å
296	I	98.9	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.2	-172.5	-63.8	167.2	0	0	0	110.1	W255 A269 G270 K273 V275 E292 A294 L299 V310 T312	W255-I296 VanDerWaalsContact CE3-O 3.27Å; A269-I296 HydrophobicContact CB-CB 3.83Å; A269-I296 HydrophobicContact CB-CD1 3.85Å; A269-I296 HydrophobicContact CB-CG1 4.46Å; A269-I296 HydrophobicContact CB-CG2 3.5Å; G270-I296 WeakPolarHBondContact CA-O 3.02Å; G270-I296 PolarHBondContact O-N 3.36Å; K273-I296 VanDerWaalsContact O-CD1 3.24Å; K273-I296 WeakPolarHBondContact O-CD1 3.28Å; V275-I296 HydrophobicContact CG2-CD1 3.45Å; V275-I296 VanDerWaalsContact CG2-CD1 3.45Å; E292-I296 HydrophobicContact CB-CD1 4.08Å; E292-I296 HydrophobicContact CB-CG1 3.97Å; E292-I296 HydrophobicContact CG-CD1 3.93Å; E292-I296 HydrophobicContact CG-CG1 3.93Å; A294-I296 PolarHBondContact O-N 3.27Å; I296-L299 HydrophobicContact CG2-CD2 4.13Å; I296-V310 HydrophobicContact CB-CG1 4.43Å; I296-V310 HydrophobicContact CD1-CG1 4.16Å; I296-V310 HydrophobicContact CG1-CG1 3.97Å; I296-V310 HydrophobicContact CG2-CG1 3.66Å; I296-T312 HydrophobicContact CG1-CG2 4.2Å
297	L	98.9	Very high	96.8	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-39.2	-178.8	-65.4	-178.6	0	0	0	113	I33 W255 S311 T312 T313	I33-L297 WeakPolarHBondContact O-CB 3.32Å; I33-L297 WeakPolarHBondContact O-CD1 3.29Å; W255-L297 HydrophobicContact CE3-CD2 3.81Å; W255-L297 HydrophobicContact CZ3-CD2 3.91Å; L297-S311 PolarHBondContact N-O 2.82Å; L297-T312 VanDerWaalsContact CD1-O 3.24Å; L297-T312 WeakPolarHBondContact CD1-O 3.45Å; L297-T313 HydrophobicContact CD1-CG2 4.24Å; L297-T313 HydrophobicContact CD2-CG2 3.91Å; L297-T313 HydrophobicContact CG-CG2 4.09Å
298	K	98.8	Very high	97.1	Very high	42 Å²	42	35.8 Å²	35.8	18%	0.183	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.3	-178.2	-160.2	80.1	173.7	-163.5	0	111.8	S35 L36 D79 S256 V310 S311	S35-K298 WeakPolarHBondContact OG-CE 3.29Å; S35-K298 PolarHBondContact OG-NZ 3.02Å; L36-K298 HydrophobicContact CB-CG 4.43Å; D79-K298 IonicContact OD1-NZ 3.85Å; D79-K298 PolarHBondContact OD1-NZ 3.19Å; S256-K298 WeakPolarHBondContact OG-CA 3.43Å; K298-V310 WeakPolarHBondContact O-CA 3.42Å; K298-S311 VanDerWaalsContact CB-OG 3.26Å; K298-S311 WeakPolarHBondContact CB-OG 3.5Å; K298-S311 PolarHBondContact N-O 3.13Å; K298-S311 PolarHBondContact N-OG 2.7Å; K298-S311 PolarHBondContact O-N 3.1Å
299	L	98.8	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.7	162.7	-62	178.3	0	0	0	109.4	S256 Q258 A269 V275 I296 L308 W309 V310	S256-L299 PolarHBondContact OG-N 2.9Å; Q258-L299 HydrophobicContact CG-CB 3.8Å; Q258-L299 WeakPolarHBondContact CG-O 3.48Å; A269-L299 HydrophobicContact CB-CD1 3.74Å; A269-L299 HydrophobicContact CB-CD2 3.88Å; A269-L299 HydrophobicContact CB-CG 3.84Å; V275-L299 HydrophobicContact CG1-CD1 4.32Å; V275-L299 HydrophobicContact CG1-CD2 4.28Å; V275-L299 HydrophobicContact CG2-CD2 3.99Å; I296-L299 HydrophobicContact CG2-CD2 4.13Å; L299-L308 HydrophobicContact CB-CD2 4.37Å; L299-W309 CarbonylContact C-O 3.56Å; L299-V310 HydrophobicContact CD2-CG1 4.31Å; L299-V310 HydrophobicContact CD2-CG2 3.76Å
300	L	98.6	Very high	97.3	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	109.7	171.2	175.4	70.6	0	0	0	109.4	L36 F38 L45 V302 L308 W309	L36-L300 HydrophobicContact CB-CB 4Å; L36-L300 HydrophobicContact CB-CD2 3.81Å; L36-L300 HydrophobicContact CB-CG 4.5Å; L36-L300 HydrophobicContact CD1-CB 4.4Å; F38-L300 HydrophobicContact CB-CD2 3.79Å; L45-L300 HydrophobicContact CD1-CD2 3.82Å; L300-V302 HydrophobicContact CD2-CG1 4.12Å; L300-V302 HydrophobicContact CG-CG1 3.93Å; L300-L308 WeakPolarHBondContact O-CA 3.34Å; L300-W309 HydrophobicContact CB-CB 4.17Å; L300-W309 PolarHBondContact N-O 3.22Å; L300-W309 PolarHBondContact O-N 3.01Å
301	L	98.1	Very high	97.4	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.168	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.6	177.3	-167.8	70.4	0	0	0	109.7	Q258 Y267 L308 T322	Q258-L301 HydrophobicContact CB-CB 4.4Å; Y267-L301 HydrophobicContact CD2-CD1 4.22Å; Y267-L301 HydrophobicContact CD2-CD2 4.39Å; Y267-L301 HydrophobicContact CE2-CD1 3.8Å; Y267-L301 HydrophobicContact CE2-CD2 3.91Å; L301-L308 HydrophobicContact CB-CD2 4.03Å; L301-L308 HydrophobicContact CD1-CD2 3.68Å; L301-L308 HydrophobicContact CD1-CG 3.86Å; L301-L308 HydrophobicContact CG-CD2 4.49Å; L301-T322 HydrophobicContact CD1-CG2 3.89Å
302	V	96.9	Very high	97.5	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	-178.4	-178.5	-58.4	0	0	0	0	110.7	F38 L300 N304 G305 N306 S307	F38-V302 HydrophobicContact CB-CG1 3.84Å; F38-V302 HydrophobicContact CD1-CB 4.44Å; F38-V302 HydrophobicContact CD1-CG1 4.08Å; F38-V302 HydrophobicContact CG-CG1 4.03Å; L300-V302 HydrophobicContact CD2-CG1 4.12Å; L300-V302 HydrophobicContact CG-CG1 3.93Å; V302-N304 VanDerWaalsContact C-N 3.3Å; V302-N304 PolarHBondContact O-N 2.71Å; V302-G305 PolarHBondContact O-N 3.47Å; V302-N306 PolarHBondContact O-N 3.25Å; V302-S307 PolarHBondContact N-O 3.26Å; V302-S307 PolarHBondContact O-N 3.15Å
303	D	94.1	Very high	97.5	Very high	56 Å²	56	33.1 Å²	33.1	30%	0.299	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	54.3	43.3	174.6	-55.9	-32.3	0	0	0	113.3	G305 N306 S307 R319	D303-G305 PolarHBondContact O-N 3.25Å; D303-N306 HydrophobicContact CB-CB 4.34Å; D303-N306 WeakPolarHBondContact O-CB 3.36Å; D303-N306 PolarHBondContact O-N 2.66Å; D303-N306 PolarHBondContact O-ND2 2.95Å; D303-N306 VanDerWaalsContact O-ND2 3.11Å; D303-S307 WeakPolarHBondContact OD2-CB 3.15Å; D303-S307 PolarHBondContact OD2-OG 3.42Å; D303-R319 IonicContact OD2-CZ 3.87Å; D303-R319 IonicContact OD2-NH1 3.04Å; D303-R319 PolarHBondContact OD2-NH1 3.21Å
304	N	92.8	Very high	97.5	Very high	161 Å²	161	29.5 Å²	29.5	86%	0.861	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	57.3	31.8	-176.4	-55	-30	0	0	0	114	V302	V302-N304 VanDerWaalsContact C-N 3.3Å; V302-N304 PolarHBondContact O-N 2.71Å
305	G	94	Very high	97.5	Very high	17 Å²	17	29.7 Å²	29.7	18%	0.175	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	93.6	2.2	179.1	0	0	0	0	0	114.6	V302 D303 T322	V302-G305 PolarHBondContact O-N 3.47Å; D303-G305 PolarHBondContact O-N 3.25Å; G305-T322 WeakPolarHBondContact O-CB 3.24Å; G305-T322 VanDerWaalsContact O-CG2 3.31Å; G305-T322 WeakPolarHBondContact O-CG2 3.29Å; G305-T322 PolarHBondContact O-OG1 3.43Å
306	N	95	Very high	97.5	Very high	99 Å²	99	30.7 Å²	30.7	53%	0.529	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-16.7	-178	-65.7	-34.5	0	0	0	113.9	V302 D303 P321 T322	V302-N306 PolarHBondContact O-N 3.25Å; D303-N306 HydrophobicContact CB-CB 4.34Å; D303-N306 WeakPolarHBondContact O-CB 3.36Å; D303-N306 PolarHBondContact O-N 2.66Å; D303-N306 PolarHBondContact O-ND2 2.95Å; D303-N306 VanDerWaalsContact O-ND2 3.11Å; N306-P321 CarbonylContact O-C 3.57Å; N306-P321 WeakPolarHBondContact O-CA 3.49Å; N306-T322 VanDerWaalsContact C-OG1 3.25Å; N306-T322 VanDerWaalsContact CA-OG1 3.29Å; N306-T322 WeakPolarHBondContact CA-OG1 3.38Å; N306-T322 PolarHBondContact O-N 3.24Å; N306-T322 PolarHBondContact O-OG1 3.03Å
307	S	96.9	Very high	97.4	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.063	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.6	-176.4	-46.4	0	0	0	0	111.9	V302 D303 W320	V302-S307 PolarHBondContact N-O 3.26Å; V302-S307 PolarHBondContact O-N 3.15Å; D303-S307 WeakPolarHBondContact OD2-CB 3.15Å; D303-S307 PolarHBondContact OD2-OG 3.42Å; S307-W320 CarbonylContact C-O 3.33Å; S307-W320 VanDerWaalsContact CA-O 3.24Å; S307-W320 WeakPolarHBondContact CA-O 3.25Å
308	L	98.4	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.2	172.7	-80.3	164.1	0	0	0	109.8	Y267 V275 L289 F290 L299 L300 L301 V310 R319 W320 T322	Y267-L308 HydrophobicContact CD1-CD1 3.71Å; Y267-L308 HydrophobicContact CE1-CD1 4.19Å; Y267-L308 HydrophobicContact CG-CD1 4.09Å; Y267-L308 HydrophobicContact CG-CD2 4.47Å; V275-L308 HydrophobicContact CG1-CD1 4.23Å; L289-L308 HydrophobicContact CD1-CD1 4.16Å; F290-L308 HydrophobicContact CE1-CD1 4.35Å; F290-L308 HydrophobicContact CZ-CD1 4.44Å; L299-L308 HydrophobicContact CB-CD2 4.37Å; L300-L308 WeakPolarHBondContact O-CA 3.34Å; L301-L308 HydrophobicContact CB-CD2 4.03Å; L301-L308 HydrophobicContact CD1-CD2 3.68Å; L301-L308 HydrophobicContact CD1-CG 3.86Å; L301-L308 HydrophobicContact CG-CD2 4.49Å; L308-V310 HydrophobicContact CB-CG2 4.38Å; L308-R319 CarbonylContact O-C 3.51Å; L308-R319 WeakPolarHBondContact O-CA 3.25Å; L308-W320 PolarHBondContact N-O 3.35Å; L308-W320 PolarHBondContact O-N 2.92Å; L308-T322 HydrophobicContact CD1-CG2 3.87Å; L308-T322 HydrophobicContact CG-CG2 3.79Å
309	W	98.6	Very high	97.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.6	159.7	-80.2	100.7	0	0	0	109.9	L36 L45 P59 L299 L300 L317 R319 M347 I349	L36-W309 HydrophobicContact CD1-CB 4.02Å; L45-W309 HydrophobicContact CD1-CD2 4.43Å; L45-W309 HydrophobicContact CD1-CG 4.17Å; L45-W309 HydrophobicContact CD2-CD2 3.75Å; L45-W309 HydrophobicContact CD2-CE3 3.86Å; L45-W309 HydrophobicContact CD2-CG 4.33Å; L45-W309 HydrophobicContact CD2-CH2 4.18Å; L45-W309 HydrophobicContact CD2-CZ2 4.07Å; L45-W309 HydrophobicContact CD2-CZ3 4.08Å; P59-W309 HydrophobicContact CB-CZ2 4.18Å; P59-W309 HydrophobicContact CG-CZ2 3.76Å; L299-W309 CarbonylContact C-O 3.56Å; L300-W309 HydrophobicContact CB-CB 4.17Å; L300-W309 PolarHBondContact N-O 3.22Å; L300-W309 PolarHBondContact O-N 3.01Å; W309-L317 HydrophobicContact CE3-CB 4.19Å; W309-L317 HydrophobicContact CZ3-CB 4Å; W309-R319 HydrophobicContact CD2-CB 3.76Å; W309-R319 HydrophobicContact CD2-CG 4.09Å; W309-R319 HydrophobicContact CE3-CB 3.85Å; W309-R319 HydrophobicContact CG-CB 4.38Å; W309-R319 HydrophobicContact CG-CG 4.27Å; W309-R319 HydrophobicContact CH2-CB 3.95Å; W309-R319 HydrophobicContact CZ2-CB 3.86Å; W309-R319 HydrophobicContact CZ2-CG 4.35Å; W309-R319 HydrophobicContact CZ3-CB 3.94Å; W309-M347 HydrophobicContact CH2-CE 4.32Å; W309-M347 HydrophobicContact CH2-CG 4.2Å; W309-M347 HydrophobicContact CH2-SD 3.63Å; W309-M347 HydrophobicContact CZ2-SD 3.89Å; W309-I349 HydrophobicContact CH2-CD1 3.76Å; W309-I349 HydrophobicContact CH2-CG1 4.03Å; W309-I349 HydrophobicContact CZ3-CD1 4.03Å; W309-I349 HydrophobicContact CZ3-CG1 4.18Å
310	V	98.8	Very high	97.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.1	-177.1	-175.4	0	0	0	0	109.6	F290 E292 I296 K298 L299 L308 K318	F290-V310 HydrophobicContact CE2-CG2 3.84Å; F290-V310 HydrophobicContact CZ-CG2 3.74Å; E292-V310 HydrophobicContact CG-CG1 4.05Å; I296-V310 HydrophobicContact CB-CG1 4.43Å; I296-V310 HydrophobicContact CD1-CG1 4.16Å; I296-V310 HydrophobicContact CG1-CG1 3.97Å; I296-V310 HydrophobicContact CG2-CG1 3.66Å; K298-V310 WeakPolarHBondContact O-CA 3.42Å; L299-V310 HydrophobicContact CD2-CG1 4.31Å; L299-V310 HydrophobicContact CD2-CG2 3.76Å; L308-V310 HydrophobicContact CB-CG2 4.38Å; V310-K318 PolarHBondContact N-O 3.08Å; V310-K318 PolarHBondContact O-N 3.32Å
311	S	98.8	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.4	168.6	67.3	0	0	0	0	111.9	I33 L297 K298	I33-S311 VanDerWaalsContact O-CB 3.25Å; I33-S311 WeakPolarHBondContact O-CB 3.15Å; I33-S311 PolarHBondContact O-OG 2.95Å; L297-S311 PolarHBondContact N-O 2.82Å; K298-S311 VanDerWaalsContact CB-OG 3.26Å; K298-S311 WeakPolarHBondContact CB-OG 3.5Å; K298-S311 PolarHBondContact N-O 3.13Å; K298-S311 PolarHBondContact N-OG 2.7Å; K298-S311 PolarHBondContact O-N 3.1Å
312	T	98.8	Very high	97.1	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-176.5	-175.8	69.5	0	0	0	0	111.7	G32 I33 E292 P295 I296 L297 E314	G32-T312 VanDerWaalsContact CA-O 3.28Å; G32-T312 WeakPolarHBondContact CA-O 3.32Å; I33-T312 PolarHBondContact N-O 2.92Å; I33-T312 VanDerWaalsContact N-O 3.11Å; E292-T312 HydrophobicContact CB-CG2 4.11Å; E292-T312 HydrophobicContact CG-CG2 3.94Å; P295-T312 CarbonylContact O-C 3.52Å; P295-T312 WeakPolarHBondContact O-CA 3.49Å; P295-T312 VanDerWaalsContact O-CB 3.24Å; P295-T312 WeakPolarHBondContact O-CB 3.43Å; I296-T312 HydrophobicContact CG1-CG2 4.2Å; L297-T312 VanDerWaalsContact CD1-O 3.24Å; L297-T312 WeakPolarHBondContact CD1-O 3.45Å; T312-E314 PolarHBondContact O-N 3.13Å; T312-E314 PolarHBondContact OG1-N 3.17Å; T312-E314 VanDerWaalsContact OG1-N 3.11Å
313	T	98.3	Very high	96.6	Very high	33 Å²	33	33.1 Å²	33.1	20%	0.202	18%	0.181	C	C	.	.	S	Bend	trans	-67.1	-9.1	168.5	53.9	0	0	0	0	113.7	G32 W255 P295 L297	G32-T313 VanDerWaalsContact CA-C 3.48Å; G32-T313 VanDerWaalsContact CA-O 3.28Å; G32-T313 WeakPolarHBondContact CA-O 3.46Å; G32-T313 PolarHBondContact N-O 2.94Å; W255-T313 HydrophobicContact CZ3-CG2 4.49Å; P295-T313 HydrophobicContact CB-CG2 4.01Å; P295-T313 WeakPolarHBondContact CD-OG1 3.27Å; P295-T313 PolarHBondContact O-N 3.03Å; L297-T313 HydrophobicContact CD1-CG2 4.24Å; L297-T313 HydrophobicContact CD2-CG2 3.91Å; L297-T313 HydrophobicContact CG-CG2 4.09Å
314	E	97.8	Very high	95.7	Very high	74 Å²	74	32 Å²	32	35%	0.346	18%	0.175	S	C	.	.	S	Bend	trans	-97.4	169.2	170.2	-63	-55.3	143.7	0	0	111.7	G32 A294 T312 N316 R356	G32-E314 WeakPolarHBondContact CA-O 3.48Å; A294-E314 HydrophobicContact CB-CB 4.36Å; A294-E314 HydrophobicContact CB-CG 3.66Å; T312-E314 PolarHBondContact O-N 3.13Å; T312-E314 PolarHBondContact OG1-N 3.17Å; T312-E314 VanDerWaalsContact OG1-N 3.11Å; E314-N316 PolarHBondContact O-N 3.29Å; E314-R356 IonicContact OE2-NH2 2.66Å
315	S	97.8	Very high	94.3	Very high	13 Å²	13	31.5 Å²	31.5	9%	0.091	17%	0.173	C	C	.	.	S	Bend	trans	-82	-7.5	-170.6	51.6	0	0	0	0	116.1	H29 S31 G351 A352	H29-S315 WeakPolarHBondContact O-CB 3.33Å; S31-S315 WeakPolarHBondContact O-CA 3.37Å; S315-G351 WeakPolarHBondContact O-CA 3.27Å; S315-A352 PolarHBondContact OG-O 3.02Å
316	N	98	Very high	92.6	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.273	20%	0.2	S	C	.	.			trans	-81.2	147.8	-178.6	-61.6	-37	0	0	0	110.7	E314 I349 G351	E314-N316 PolarHBondContact O-N 3.29Å; N316-I349 WeakPolarHBondContact CA-O 3.47Å; N316-G351 PolarHBondContact OD1-N 3.49Å
317	L	98.2	Very high	90.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.6	165.9	-67.1	171.1	0	0	0	109.1	I33 L36 L45 W309 S348 I349	I33-L317 HydrophobicContact CB-CD2 4.31Å; I33-L317 HydrophobicContact CD1-CD1 3.96Å; I33-L317 HydrophobicContact CD1-CD2 3.47Å; I33-L317 VanDerWaalsContact CD1-CD2 3.47Å; I33-L317 HydrophobicContact CD1-CG 3.46Å; I33-L317 VanDerWaalsContact CD1-CG 3.46Å; I33-L317 HydrophobicContact CG2-CD2 4.12Å; L36-L317 HydrophobicContact CD1-CD2 4.23Å; L36-L317 HydrophobicContact CD2-CD1 4.15Å; L36-L317 HydrophobicContact CD2-CD2 3.72Å; L45-L317 HydrophobicContact CD2-CD1 4.16Å; W309-L317 HydrophobicContact CE3-CB 4.19Å; W309-L317 HydrophobicContact CZ3-CB 4Å; L317-S348 CarbonylContact O-C 3.58Å; L317-S348 WeakPolarHBondContact O-CA 3.21Å; L317-I349 HydrophobicContact CB-CB 4.21Å; L317-I349 PolarHBondContact N-O 3.06Å; L317-I349 PolarHBondContact O-N 3.12Å
318	K	98.4	Very high	88.4	Confident	25 Å²	25	42.3 Å²	42.3	11%	0.109	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.1	175.6	-66.7	175.2	-172.7	165.7	0	109.5	E292 E293 V310 W320 P345 M347	E292-K318 VanDerWaalsContact OE1-CD 3.28Å; E292-K318 WeakPolarHBondContact OE1-CD 3.37Å; E292-K318 WeakPolarHBondContact OE2-CD 3.38Å; E292-K318 IonicContact OE2-NZ 2.64Å; E292-K318 PolarHBondContact OE2-NZ 3.06Å; E293-K318 IonicContact OE1-NZ 2.83Å; V310-K318 PolarHBondContact N-O 3.08Å; V310-K318 PolarHBondContact O-N 3.32Å; K318-W320 HydrophobicContact CD-CZ2 4.16Å; K318-P345 HydrophobicContact CB-CB 4.04Å; K318-P345 HydrophobicContact CD-CB 4.4Å; K318-P345 HydrophobicContact CD-CG 4.11Å; K318-P345 HydrophobicContact CG-CB 4.42Å; K318-P345 HydrophobicContact CG-CG 4.4Å; K318-M347 CarbonylContact C-O 3.53Å; K318-M347 WeakPolarHBondContact CA-O 3.13Å
319	R	98	Very high	86	Confident	54 Å²	54	46.7 Å²	46.7	20%	0.204	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.6	167.7	-168.7	-178.5	70.3	171.1	-4	108.1	D303 L308 W309 P345 D346 M347	D303-R319 IonicContact OD2-CZ 3.87Å; D303-R319 IonicContact OD2-NH1 3.04Å; D303-R319 PolarHBondContact OD2-NH1 3.21Å; L308-R319 CarbonylContact O-C 3.51Å; L308-R319 WeakPolarHBondContact O-CA 3.25Å; W309-R319 HydrophobicContact CD2-CB 3.76Å; W309-R319 HydrophobicContact CD2-CG 4.09Å; W309-R319 HydrophobicContact CE3-CB 3.85Å; W309-R319 HydrophobicContact CG-CB 4.38Å; W309-R319 HydrophobicContact CG-CG 4.27Å; W309-R319 HydrophobicContact CH2-CB 3.95Å; W309-R319 HydrophobicContact CZ2-CB 3.86Å; W309-R319 HydrophobicContact CZ2-CG 4.35Å; W309-R319 HydrophobicContact CZ3-CB 3.94Å; R319-P345 CarbonylContact O-C 3.46Å; R319-P345 VanDerWaalsContact O-CA 3.3Å; R319-P345 WeakPolarHBondContact O-CA 3.32Å; R319-P345 WeakPolarHBondContact O-CB 3.39Å; R319-D346 VanDerWaalsContact C-OD1 3.23Å; R319-D346 VanDerWaalsContact CB-OD1 3.24Å; R319-D346 WeakPolarHBondContact CB-OD1 3.24Å; R319-D346 WeakPolarHBondContact CG-OD1 3.21Å; R319-D346 IonicContact CZ-OD1 3.74Å; R319-D346 IonicContact CZ-OD2 3.19Å; R319-D346 IonicContact NE-OD1 2.91Å; R319-D346 PolarHBondContact NE-OD1 3.16Å; R319-D346 IonicContact NE-OD2 3.04Å; R319-D346 PolarHBondContact NE-OD2 2.76Å; R319-D346 IonicContact NH2-OD1 3.68Å; R319-D346 IonicContact NH2-OD2 2.7Å; R319-D346 PolarHBondContact NH2-OD2 2.81Å; R319-D346 PolarHBondContact O-N 2.96Å; R319-M347 HydrophobicContact CB-CB 4.11Å; R319-M347 PolarHBondContact N-O 3.34Å; R319-M347 PolarHBondContact O-N 3.36Å
320	W	98	Very high	83.7	Confident	9 Å²	9	52.7 Å²	52.7	3%	0.034	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.4	-176.8	-65.4	83.9	0	0	0	109	F290 E292 S307 L308 K318 I342 P345	F290-W320 HydrophobicContact CB-CD2 4.22Å; F290-W320 HydrophobicContact CB-CE3 3.59Å; F290-W320 HydrophobicContact CB-CH2 4.07Å; F290-W320 HydrophobicContact CB-CZ3 3.5Å; F290-W320 VanDerWaalsContact CB-CZ3 3.5Å; F290-W320 HydrophobicContact CD1-CB 3.82Å; F290-W320 AromaticContact CD1-CD2 3.91Å; F290-W320 HydrophobicContact CD1-CD2 3.91Å; F290-W320 AromaticContact CD1-CE3 3.78Å; F290-W320 HydrophobicContact CD1-CE3 3.78Å; F290-W320 AromaticContact CD1-CG 3.97Å; F290-W320 HydrophobicContact CD1-CG 3.97Å; F290-W320 AromaticContact CD2-CD2 3.49Å; F290-W320 HydrophobicContact CD2-CD2 3.49Å; F290-W320 VanDerWaalsContact CD2-CD2 3.49Å; F290-W320 AromaticContact CD2-CE2 3.59Å; F290-W320 AromaticContact CD2-CE3 3.78Å; F290-W320 HydrophobicContact CD2-CE3 3.78Å; F290-W320 AromaticContact CD2-CG 3.86Å; F290-W320 HydrophobicContact CD2-CG 3.86Å; F290-W320 HydrophobicContact CD2-CH2 4.23Å; F290-W320 AromaticContact CD2-CZ2 3.97Å; F290-W320 HydrophobicContact CD2-CZ2 3.97Å; F290-W320 HydrophobicContact CD2-CZ3 4.14Å; F290-W320 AromaticContact CD2-NE1 3.95Å; F290-W320 HydrophobicContact CE1-CB 3.33Å; F290-W320 HydrophobicContact CE1-CD2 4.13Å; F290-W320 HydrophobicContact CE1-CE3 4.42Å; F290-W320 AromaticContact CE1-CG 3.69Å; F290-W320 HydrophobicContact CE1-CG 3.69Å; F290-W320 HydrophobicContact CE2-CB 4.1Å; F290-W320 AromaticContact CE2-CD1 3.54Å; F290-W320 AromaticContact CE2-CD2 3.7Å; F290-W320 HydrophobicContact CE2-CD2 3.7Å; F290-W320 AromaticContact CE2-CE2 3.79Å; F290-W320 HydrophobicContact CE2-CE3 4.39Å; F290-W320 AromaticContact CE2-CG 3.54Å; F290-W320 HydrophobicContact CE2-CG 3.54Å; F290-W320 AromaticContact CE2-NE1 3.66Å; F290-W320 HydrophobicContact CG-CB 4.41Å; F290-W320 AromaticContact CG-CD2 3.6Å; F290-W320 HydrophobicContact CG-CD2 3.6Å; F290-W320 AromaticContact CG-CE3 3.43Å; F290-W320 HydrophobicContact CG-CE3 3.43Å; F290-W320 VanDerWaalsContact CG-CE3 3.43Å; F290-W320 HydrophobicContact CG-CG 4.06Å; F290-W320 HydrophobicContact CG-CH2 4.36Å; F290-W320 HydrophobicContact CG-CZ2 4.5Å; F290-W320 AromaticContact CG-CZ3 3.84Å; F290-W320 HydrophobicContact CG-CZ3 3.84Å; F290-W320 HydrophobicContact CZ-CB 3.49Å; F290-W320 VanDerWaalsContact CZ-CB 3.49Å; F290-W320 AromaticContact CZ-CD1 3.69Å; F290-W320 HydrophobicContact CZ-CD2 4.02Å; F290-W320 AromaticContact CZ-CG 3.46Å; F290-W320 HydrophobicContact CZ-CG 3.46Å; F290-W320 VanDerWaalsContact CZ-CG 3.46Å; E292-W320 PolarHBondContact OE1-NE1 2.59Å; S307-W320 CarbonylContact C-O 3.33Å; S307-W320 VanDerWaalsContact CA-O 3.24Å; S307-W320 WeakPolarHBondContact CA-O 3.25Å; L308-W320 PolarHBondContact N-O 3.35Å; L308-W320 PolarHBondContact O-N 2.92Å; K318-W320 HydrophobicContact CD-CZ2 4.16Å; W320-I342 HydrophobicContact CE3-CG2 3.91Å; W320-I342 HydrophobicContact CZ3-CG2 4.24Å; W320-P345 HydrophobicContact CD2-CB 3.85Å; W320-P345 HydrophobicContact CE3-CB 4.25Å; W320-P345 HydrophobicContact CG-CB 4.23Å; W320-P345 HydrophobicContact CZ2-CB 4.16Å; W320-P345 HydrophobicContact CZ2-CG 4.33Å
321	P	96.8	Very high	81.3	Confident	35 Å²	35	56.3 Å²	56.3	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	160.2	168	24.7	-26.6	0	0	0	110.8	N306 I342	N306-P321 CarbonylContact O-C 3.57Å; N306-P321 WeakPolarHBondContact O-CA 3.49Å; P321-I342 HydrophobicContact CB-CD1 4.48Å; P321-I342 HydrophobicContact CG-CD1 4.11Å; P321-I342 HydrophobicContact CG-CG2 3.97Å; P321-I342 WeakPolarHBondContact O-CD1 3.37Å
322	T	93.7	Very high	79.1	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.055	34%	0.339	C	S	.	.	S	Bend	trans	-100.5	-6.1	175.5	56.2	0	0	0	0	113.5	Y267 L301 G305 N306 L308	Y267-T322 HydrophobicContact CE1-CG2 4.16Å; L301-T322 HydrophobicContact CD1-CG2 3.89Å; G305-T322 WeakPolarHBondContact O-CB 3.24Å; G305-T322 VanDerWaalsContact O-CG2 3.31Å; G305-T322 WeakPolarHBondContact O-CG2 3.29Å; G305-T322 PolarHBondContact O-OG1 3.43Å; N306-T322 VanDerWaalsContact C-OG1 3.25Å; N306-T322 VanDerWaalsContact CA-OG1 3.29Å; N306-T322 WeakPolarHBondContact CA-OG1 3.38Å; N306-T322 PolarHBondContact O-N 3.24Å; N306-T322 PolarHBondContact O-OG1 3.03Å; L308-T322 HydrophobicContact CD1-CG2 3.87Å; L308-T322 HydrophobicContact CG-CG2 3.79Å
323	S	87.5	Confident	76.8	Confident	40 Å²	40	65.1 Å²	65.1	28%	0.28	35%	0.351	S	S	.	.	S	Bend	trans	-140.4	149.6	175.6	56.5	0	0	0	0	110.2
324	N	75.3	Confident	74.5	Confident	33 Å²	33	66 Å²	66	18%	0.176	37%	0.366	C	S	.	.			trans	-96	110.5	174.1	-171.3	-5.4	0	0	0	109.3	E326 L341 I342	N324-E326 PolarHBondContact O-N 2.79Å; N324-E326 WeakPolarHBondContact OD1-CB 3.43Å; N324-E326 PolarHBondContact OD1-N 3.28Å; N324-E326 VanDerWaalsContact OD1-N 3.07Å; N324-L341 HydrophobicContact CB-CD1 4.2Å; N324-L341 HydrophobicContact CB-CD2 4.44Å; N324-L341 HydrophobicContact CB-CG 4Å; N324-L341 PolarHBondContact ND2-O 2.76Å; N324-L341 VanDerWaalsContact ND2-O 3.14Å; N324-I342 HydrophobicContact CB-CG1 4.36Å
325	N	63.4	Low	72.1	Confident	151 Å²	151	67.6 Å²	67.6	81%	0.807	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.3	178.9	-76.5	-21.6	0	0	0	112.9
326	E	57.5	Low	70	Confident	160 Å²	160	72 Å²	72	75%	0.748	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-23.6	-175.4	-59.6	-171.5	157.4	0	0	113	N324	N324-E326 PolarHBondContact O-N 2.79Å; N324-E326 WeakPolarHBondContact OD1-CB 3.43Å; N324-E326 PolarHBondContact OD1-N 3.28Å; N324-E326 VanDerWaalsContact OD1-N 3.07Å
327	H	52.8	Low	68.3	Low	95 Å²	95	71.1 Å²	71.1	44%	0.44	42%	0.415	S	S	.	.			trans	-140.5	66.3	-175.1	-66.8	-75.7	0	0	0	113.6	A329 E330	H327-A329 PolarHBondContact O-N 2.67Å; H327-E330 HydrophobicContact CB-CG 4.42Å; H327-E330 PolarHBondContact O-N 2.95Å
328	P	51.5	Low	67.2	Low	97 Å²	97	78.6 Å²	78.6	63%	0.63	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.5	178	22.7	-31.2	0	0	0	113.8	E330 M331	P328-E330 VanDerWaalsContact C-N 3.32Å; P328-E330 PolarHBondContact O-N 3.08Å; P328-M331 PolarHBondContact O-N 3.49Å
329	A	48	Very low	66.8	Low	92 Å²	92	82.7 Å²	82.7	76%	0.76	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-70.9	-22.7	179.4	0	0	0	0	0	113.9	H327 M331	H327-A329 PolarHBondContact O-N 2.67Å; A329-M331 VanDerWaalsContact C-N 3.29Å
330	E	49.8	Very low	66.5	Low	127 Å²	127	81.9 Å²	81.9	59%	0.593	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-82.6	-6.2	176.2	-67.3	-177.6	171.1	0	0	112.7	H327 P328 D332 L341	H327-E330 HydrophobicContact CB-CG 4.42Å; H327-E330 PolarHBondContact O-N 2.95Å; P328-E330 VanDerWaalsContact C-N 3.32Å; P328-E330 PolarHBondContact O-N 3.08Å; E330-D332 PolarHBondContact O-N 2.95Å; E330-L341 HydrophobicContact CB-CD1 4.46Å
331	M	49.6	Very low	66.3	Low	76 Å²	76	82.4 Å²	82.4	37%	0.374	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-80.5	6	171.7	-76.5	-173.2	72.2	0	0	113.4	M277 P328 A329 M333 L341	M277-M331 HydrophobicContact CE-CE 4.4Å; P328-M331 PolarHBondContact O-N 3.49Å; A329-M331 VanDerWaalsContact C-N 3.29Å; M331-M333 PolarHBondContact O-N 2.93Å; M331-L341 HydrophobicContact CG-CD2 4.35Å
332	D	51.2	Low	66.2	Low	135 Å²	135	81.3 Å²	81.3	72%	0.722	47%	0.474	S	S	*	.			trans	-64.6	102.9	168.1	-161.1	12.6	0	0	0	107.8	E330 G334	E330-D332 PolarHBondContact O-N 2.95Å; D332-G334 PolarHBondContact O-N 2.78Å
333	M	52.2	Low	66.2	Low	58 Å²	58	89.7 Å²	89.7	29%	0.286	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	15.2	-168.9	-68.2	-79.3	-71.7	0	0	113.7	M277 N279 H285 V287 M331	M277-M333 HydrophobicContact CE-SD 4.42Å; N279-M333 HydrophobicContact CB-CE 3.98Å; H285-M333 PolarHBondContact CE1-O 3.04Å; H285-M333 VanDerWaalsContact CG-O 3.28Å; H285-M333 PolarHBondContact ND1-O 3.39Å; V287-M333 HydrophobicContact CG2-SD 3.98Å; M331-M333 PolarHBondContact O-N 2.93Å
334	G	48.5	Very low	66.5	Low	51 Å²	51	95 Å²	95	53%	0.526	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.4	-177.8	0	0	0	0	0	115.6	D332	D332-G334 PolarHBondContact O-N 2.78Å
335	T	49	Very low	67.6	Low	108 Å²	108	95.4 Å²	95.4	66%	0.663	54%	0.535	S	S	*	.	S	Bend	trans	-119	116.5	174.8	62	0	0	0	0	111	G337	T335-G337 PolarHBondContact O-N 3.08Å
336	S	53.3	Low	69	Low	104 Å²	104	92 Å²	92	73%	0.727	52%	0.516	S	S	*	.			trans	-68.8	82.6	168.5	56.6	0	0	0	0	108.7	E338	S336-E338 PolarHBondContact O-N 2.77Å
337	G	60.8	Low	70.9	Confident	34 Å²	34	86.1 Å²	86.1	35%	0.351	49%	0.489	S	S	.	.			trans	-73	121.2	172.9	0	0	0	0	0	110.2	T335 V339	T335-G337 PolarHBondContact O-N 3.08Å; G337-V339 PolarHBondContact O-N 3.21Å
338	E	77	Confident	73	Confident	157 Å²	157	84.8 Å²	84.8	73%	0.734	49%	0.491	S	S	*	.	S	Bend	trans	-70.8	-10.3	166.6	-67.9	-169.3	164	0	0	112.4	S336	S336-E338 PolarHBondContact O-N 2.77Å
339	V	88.3	Confident	75.2	Confident	111 Å²	111	80.6 Å²	80.6	67%	0.673	46%	0.463	S	S	*	.	S	Bend	trans	-85.2	127.9	-178.2	-176.7	0	0	0	0	109.9	G337 L341	G337-V339 PolarHBondContact O-N 3.21Å; V339-L341 PolarHBondContact O-N 2.93Å
340	P	93	Very high	77.5	Confident	38 Å²	38	81.6 Å²	81.6	25%	0.247	45%	0.45	C	S	.	.			trans	-52.9	126.1	171.3	-31.6	38.9	0	0	0	113.8	V288 E291 I342	V288-P340 HydrophobicContact CG1-CB 4.4Å; V288-P340 HydrophobicContact CG1-CG 4.13Å; E291-P340 HydrophobicContact CB-CG 4.33Å; P340-I342 VanDerWaalsContact C-N 3.34Å
341	L	92.7	Very high	79.8	Confident	19 Å²	19	75.7 Å²	75.7	10%	0.099	42%	0.423	C	S	.	.	S	Bend	trans	-67.3	-33.2	176.7	-178.4	64.3	0	0	0	113	V288 L289 N324 E330 M331 V339	V288-L341 PolarHBondContact O-N 2.73Å; L289-L341 HydrophobicContact CD2-CD2 4.24Å; L289-L341 PolarHBondContact O-N 2.9Å; L289-L341 VanDerWaalsContact O-N 3.13Å; N324-L341 HydrophobicContact CB-CD1 4.2Å; N324-L341 HydrophobicContact CB-CD2 4.44Å; N324-L341 HydrophobicContact CB-CG 4Å; N324-L341 PolarHBondContact ND2-O 2.76Å; N324-L341 VanDerWaalsContact ND2-O 3.14Å; E330-L341 HydrophobicContact CB-CD1 4.46Å; M331-L341 HydrophobicContact CG-CD2 4.35Å; V339-L341 PolarHBondContact O-N 2.93Å
342	I	95	Very high	82	Confident	12 Å²	12	72.7 Å²	72.7	6%	0.062	41%	0.411	C	S	.	.			trans	-121.7	127.1	-175.4	-57.7	165.1	0	0	0	108	L289 F290 W320 P321 N324 P340 E344	L289-I342 WeakPolarHBondContact O-CB 3.44Å; L289-I342 PolarHBondContact O-N 2.87Å; F290-I342 HydrophobicContact CB-CB 4.35Å; F290-I342 WeakPolarHBondContact CB-O 3.25Å; W320-I342 HydrophobicContact CE3-CG2 3.91Å; W320-I342 HydrophobicContact CZ3-CG2 4.24Å; P321-I342 HydrophobicContact CB-CD1 4.48Å; P321-I342 HydrophobicContact CG-CD1 4.11Å; P321-I342 HydrophobicContact CG-CG2 3.97Å; P321-I342 WeakPolarHBondContact O-CD1 3.37Å; N324-I342 HydrophobicContact CB-CG1 4.36Å; P340-I342 VanDerWaalsContact C-N 3.34Å; I342-E344 WeakPolarHBondContact CG2-O 3.18Å
343	K	93.8	Very high	84.2	Confident	186 Å²	186	67.4 Å²	67.4	81%	0.809	38%	0.384	S	S	*	.			trans	-99.4	-23	-172.7	-65.3	-180	-178.5	170.9	0	113.9
344	E	95	Very high	86.4	Confident	152 Å²	152	64.8 Å²	64.8	71%	0.71	37%	0.371	S	S	*	.	S	Bend	trans	-137	144.7	-177.3	61.2	-178.2	-172.4	0	0	112.8	I342	I342-E344 WeakPolarHBondContact CG2-O 3.18Å
345	P	96.8	Very high	88.8	Confident	41 Å²	41	62.7 Å²	62.7	27%	0.266	35%	0.348	S	S	.	.			trans	-71.9	152.3	171.3	32.1	-36.4	0	0	0	110.7	K318 R319 W320	K318-P345 HydrophobicContact CB-CB 4.04Å; K318-P345 HydrophobicContact CD-CB 4.4Å; K318-P345 HydrophobicContact CD-CG 4.11Å; K318-P345 HydrophobicContact CG-CB 4.42Å; K318-P345 HydrophobicContact CG-CG 4.4Å; R319-P345 CarbonylContact O-C 3.46Å; R319-P345 VanDerWaalsContact O-CA 3.3Å; R319-P345 WeakPolarHBondContact O-CA 3.32Å; R319-P345 WeakPolarHBondContact O-CB 3.39Å; W320-P345 HydrophobicContact CD2-CB 3.85Å; W320-P345 HydrophobicContact CE3-CB 4.25Å; W320-P345 HydrophobicContact CG-CB 4.23Å; W320-P345 HydrophobicContact CZ2-CB 4.16Å; W320-P345 HydrophobicContact CZ2-CG 4.33Å
346	D	94.3	Very high	91.1	Very high	78 Å²	78	62.9 Å²	62.9	42%	0.417	34%	0.336	S	S	.	.	S	Bend	trans	-82.9	-18	175	77.9	-18.7	0	0	0	112.8	R319	R319-D346 VanDerWaalsContact C-OD1 3.23Å; R319-D346 VanDerWaalsContact CB-OD1 3.24Å; R319-D346 WeakPolarHBondContact CB-OD1 3.24Å; R319-D346 WeakPolarHBondContact CG-OD1 3.21Å; R319-D346 IonicContact CZ-OD1 3.74Å; R319-D346 IonicContact CZ-OD2 3.19Å; R319-D346 IonicContact NE-OD1 2.91Å; R319-D346 PolarHBondContact NE-OD1 3.16Å; R319-D346 IonicContact NE-OD2 3.04Å; R319-D346 PolarHBondContact NE-OD2 2.76Å; R319-D346 IonicContact NH2-OD1 3.68Å; R319-D346 IonicContact NH2-OD2 2.7Å; R319-D346 PolarHBondContact NH2-OD2 2.81Å; R319-D346 PolarHBondContact O-N 2.96Å
347	M	95.9	Very high	93.2	Very high	37 Å²	37	61.9 Å²	61.9	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146.1	176.5	-171.8	-178.5	178.1	0	0	111.4	P59 P65 W309 K318 R319 I349	P59-M347 HydrophobicContact CB-CE 4.05Å; P59-M347 HydrophobicContact CB-SD 3.76Å; P65-M347 HydrophobicContact CB-CE 4.13Å; P65-M347 HydrophobicContact CG-CE 4.27Å; W309-M347 HydrophobicContact CH2-CE 4.32Å; W309-M347 HydrophobicContact CH2-CG 4.2Å; W309-M347 HydrophobicContact CH2-SD 3.63Å; W309-M347 HydrophobicContact CZ2-SD 3.89Å; K318-M347 CarbonylContact C-O 3.53Å; K318-M347 WeakPolarHBondContact CA-O 3.13Å; R319-M347 HydrophobicContact CB-CB 4.11Å; R319-M347 PolarHBondContact N-O 3.34Å; R319-M347 PolarHBondContact O-N 3.36Å; M347-I349 HydrophobicContact CE-CD1 4.34Å; M347-I349 HydrophobicContact CE-CG1 3.99Å
348	S	96.7	Very high	95	Very high	68 Å²	68	65.5 Å²	65.5	48%	0.476	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131	173	179	0	0	0	0	110.8	L317	L317-S348 CarbonylContact O-C 3.58Å; L317-S348 WeakPolarHBondContact O-CA 3.21Å
349	I	97.6	Very high	96.1	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.046	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.7	169.7	-54.8	179.8	0	0	0	107.2	L45 W57 P65 W309 N316 L317 M347	L45-I349 HydrophobicContact CD2-CD1 4.42Å; W57-I349 HydrophobicContact CB-CD1 4.1Å; W57-I349 HydrophobicContact CD2-CD1 3.97Å; W57-I349 HydrophobicContact CD2-CG2 4.22Å; W57-I349 HydrophobicContact CE3-CD1 4.18Å; W57-I349 HydrophobicContact CE3-CG2 3.76Å; W57-I349 HydrophobicContact CG-CD1 3.92Å; W57-I349 HydrophobicContact CH2-CG2 3.77Å; W57-I349 HydrophobicContact CZ2-CG2 4.23Å; W57-I349 HydrophobicContact CZ3-CG2 3.52Å; P65-I349 HydrophobicContact CB-CD1 4.33Å; P65-I349 HydrophobicContact CG-CD1 4.12Å; P65-I349 HydrophobicContact CG-CG1 4.01Å; P65-I349 HydrophobicContact CG-CG2 4.23Å; W309-I349 HydrophobicContact CH2-CD1 3.76Å; W309-I349 HydrophobicContact CH2-CG1 4.03Å; W309-I349 HydrophobicContact CZ3-CD1 4.03Å; W309-I349 HydrophobicContact CZ3-CG1 4.18Å; N316-I349 WeakPolarHBondContact CA-O 3.47Å; L317-I349 HydrophobicContact CB-CB 4.21Å; L317-I349 PolarHBondContact N-O 3.06Å; L317-I349 PolarHBondContact O-N 3.12Å; M347-I349 HydrophobicContact CE-CD1 4.34Å; M347-I349 HydrophobicContact CE-CG1 3.99Å
350	K	96.8	Very high	96.5	Very high	112 Å²	112	55.9 Å²	55.9	49%	0.487	28%	0.281	S	S	.	.			trans	-69.4	132.9	-178	-166.9	179.7	173.2	175.9	0	111	R28 E373	R28-K350 VanDerWaalsContact CD-O 3.22Å; R28-K350 WeakPolarHBondContact CD-O 3.48Å; R28-K350 WeakPolarHBondContact CG-O 3.49Å; K350-E373 IonicContact NZ-OE1 3.43Å; K350-E373 PolarHBondContact NZ-OE1 2.84Å
351	G	97.7	Very high	96.7	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	27%	0.272	C	S	.	.			trans	-78.2	-176.4	168.6	0	0	0	0	0	113.6	H29 S315 N316	H29-G351 CarbonylContact O-C 3.53Å; S315-G351 WeakPolarHBondContact O-CA 3.27Å; N316-G351 PolarHBondContact OD1-N 3.49Å
352	A	97.5	Very high	96.7	Very high	14 Å²	14	54.8 Å²	54.8	12%	0.116	27%	0.273	C	S	.	.			trans	-112.3	152.4	173.7	0	0	0	0	0	110.3	R28 H29 R30 S315 S354	R28-A352 HydrophobicContact CB-CB 3.87Å; H29-A352 PolarHBondContact O-N 3.4Å; R30-A352 WeakPolarHBondContact CA-O 3.34Å; R30-A352 HydrophobicContact CG-CB 3.78Å; S315-A352 PolarHBondContact OG-O 3.02Å; A352-S354 PolarHBondContact O-N 3.01Å
353	P	97.3	Very high	96.7	Very high	24 Å²	24	55 Å²	55	16%	0.156	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-60	136.1	178.1	-23.9	34.5	0	0	0	112.3	R30 D371 S372 E373	R30-P353 PolarHBondContact NH1-O 3.43Å; P353-D371 HydrophobicContact CB-CB 3.78Å; P353-D371 VanDerWaalsContact CB-CG 3.41Å; P353-D371 WeakPolarHBondContact CB-OD2 3.15Å; P353-S372 WeakPolarHBondContact CA-OG 3.46Å; P353-E373 HydrophobicContact CB-CB 4.37Å; P353-E373 HydrophobicContact CB-CG 4.21Å; P353-E373 HydrophobicContact CG-CB 4.21Å; P353-E373 HydrophobicContact CG-CG 3.83Å; P353-E373 WeakPolarHBondContact CG-OE2 3.43Å
354	S	97.9	Very high	96.8	Very high	2 Å²	2	48 Å²	48	1%	0.014	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-89.7	129	177.4	-159.7	0	0	0	0	109.7	R30 A352 R356 D371 S372 G419	R30-S354 VanDerWaalsContact O-CA 3.29Å; R30-S354 WeakPolarHBondContact O-CA 3.38Å; R30-S354 WeakPolarHBondContact O-CB 3.46Å; R30-S354 PolarHBondContact O-OG 3.08Å; A352-S354 PolarHBondContact O-N 3.01Å; S354-R356 WeakPolarHBondContact O-CG 3.24Å; S354-R356 PolarHBondContact O-N 3.16Å; S354-D371 CarbonylContact O-C 3.49Å; S354-D371 WeakPolarHBondContact O-CA 3.49Å; S354-D371 VanDerWaalsContact O-CB 3.32Å; S354-D371 WeakPolarHBondContact O-CB 3.35Å; S354-S372 PolarHBondContact N-OG 2.9Å; S354-S372 PolarHBondContact O-N 3.39Å; S354-G419 WeakPolarHBondContact OG-CA 3.42Å
355	I	98.3	Very high	96.9	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120	171.6	-59.8	175.5	0	0	0	108.8	T369 W379 L416 G419 L421	I355-T369 HydrophobicContact CD1-CG2 4.43Å; I355-T369 HydrophobicContact CG2-CG2 3.81Å; I355-W379 HydrophobicContact CD1-CH2 4.29Å; I355-W379 HydrophobicContact CD1-CZ2 3.76Å; I355-L416 HydrophobicContact CB-CD2 4.28Å; I355-L416 HydrophobicContact CG2-CD1 3.91Å; I355-L416 HydrophobicContact CG2-CD2 3.67Å; I355-L416 HydrophobicContact CG2-CG 4.38Å; I355-G419 PolarHBondContact N-O 2.98Å; I355-L421 HydrophobicContact CD1-CB 4.13Å
356	R	97.6	Very high	97	Very high	111 Å²	111	42 Å²	42	42%	0.419	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-25.8	-174.7	-59.3	-54.3	-167.4	172.8	-1.3	113.8	E314 S354 R370	E314-R356 IonicContact OE2-NH2 2.66Å; S354-R356 WeakPolarHBondContact O-CG 3.24Å; S354-R356 PolarHBondContact O-N 3.16Å; R356-R370 PolarHBondContact N-O 3.27Å
357	Q	98.3	Very high	97.2	Very high	84 Å²	84	38.3 Å²	38.3	39%	0.393	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.7	-178.5	-64.3	-176.5	-23	0	0	110.8	T369 R370 L395	Q357-T369 CarbonylContact O-C 3.6Å; Q357-T369 WeakPolarHBondContact O-CA 3.5Å; Q357-R370 HydrophobicContact CB-CB 4.3Å; Q357-R370 PolarHBondContact N-O 2.97Å; Q357-R370 VanDerWaalsContact N-O 3.08Å; Q357-R370 PolarHBondContact O-N 3.41Å; Q357-R370 VanDerWaalsContact OE1-CZ 3.26Å; Q357-L395 HydrophobicContact CB-CD2 4.26Å
358	Y	98.5	Very high	97.3	Very high	110 Å²	110	36.8 Å²	36.8	43%	0.431	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.8	173	77.1	-82.3	0	0	0	111.7	V367 Y368 V414 L416	Y358-V367 HydrophobicContact CD2-CG1 4.22Å; Y358-Y368 CarbonylContact C-O 3.55Å; Y358-Y368 WeakPolarHBondContact CA-O 3.25Å; Y358-V414 HydrophobicContact CD1-CB 4.24Å; Y358-V414 HydrophobicContact CD1-CG1 3.75Å; Y358-V414 HydrophobicContact CD2-CB 3.99Å; Y358-V414 HydrophobicContact CD2-CG1 4Å; Y358-V414 HydrophobicContact CD2-CG2 3.9Å; Y358-V414 HydrophobicContact CE1-CB 3.91Å; Y358-V414 HydrophobicContact CE1-CG1 3.88Å; Y358-V414 HydrophobicContact CE2-CB 3.65Å; Y358-V414 HydrophobicContact CE2-CG1 4.13Å; Y358-V414 HydrophobicContact CE2-CG2 3.7Å; Y358-V414 HydrophobicContact CG-CB 4.28Å; Y358-V414 HydrophobicContact CG-CG1 3.81Å; Y358-L416 HydrophobicContact CD1-CD1 3.76Å; Y358-L416 HydrophobicContact CD1-CG 4.2Å
359	S	98.3	Very high	97.4	Very high	39 Å²	39	33.8 Å²	33.8	27%	0.273	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	112	167.2	-178	0	0	0	0	108.7	Y368 V399	S359-Y368 PolarHBondContact N-O 2.97Å; S359-Y368 PolarHBondContact O-N 2.89Å; S359-V399 WeakPolarHBondContact OG-CG2 3.49Å
360	A	97.5	Very high	97.5	Very high	27 Å²	27	36.7 Å²	36.7	22%	0.223	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.4	172.5	0	0	0	0	0	109.6	V367 F412	A360-V367 HydrophobicContact CB-CG2 4.09Å; A360-F412 HydrophobicContact CB-CZ 4.22Å
361	L	96.8	Very high	97.5	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	15%	0.152	C	C	.	.			trans	-67.4	163.6	176.2	-66.2	-173.2	0	0	0	111.1	D363 K364 Y366 Y368 V399	L361-D363 PolarHBondContact O-N 3.29Å; L361-K364 WeakPolarHBondContact O-CA 3.35Å; L361-K364 WeakPolarHBondContact O-CD 3.37Å; L361-K364 PolarHBondContact O-N 2.84Å; L361-Y366 PolarHBondContact N-O 3.09Å; L361-Y368 HydrophobicContact CD1-CD2 4.27Å; L361-Y368 HydrophobicContact CD1-CE2 4.02Å; L361-Y368 HydrophobicContact CD2-CD2 3.96Å; L361-Y368 HydrophobicContact CD2-CE2 4.19Å; L361-Y368 HydrophobicContact CG-CD2 4.21Å; L361-Y368 HydrophobicContact CG-CE2 4.43Å; L361-V399 HydrophobicContact CD2-CB 4.36Å; L361-V399 HydrophobicContact CD2-CG1 3.97Å; L361-V399 HydrophobicContact CD2-CG2 4.35Å
362	N	93.9	Very high	97.5	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.6	-175.8	61.8	-68.1	0	0	0	113.8	K364 F403 R404 L406 V408	N362-K364 PolarHBondContact O-N 3.1Å; N362-F403 HydrophobicContact CB-CE2 4.42Å; N362-R404 PolarHBondContact ND2-O 2.75Å; N362-L406 PolarHBondContact ND2-O 3.3Å; N362-V408 PolarHBondContact O-N 3Å
363	D	94.5	Very high	97.4	Very high	16 Å²	16	37.9 Å²	37.9	9%	0.086	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.7	165.6	63.3	21.7	0	0	0	113.3	L361 R365 Y366 L406 V408 F454	L361-D363 PolarHBondContact O-N 3.29Å; D363-R365 PolarHBondContact O-N 3.08Å; D363-R365 VanDerWaalsContact O-N 3.13Å; D363-R365 PolarHBondContact OD1-N 2.92Å; D363-Y366 PolarHBondContact OD1-N 3.25Å; D363-Y366 VanDerWaalsContact OD2-CD2 3.31Å; D363-Y366 WeakPolarHBondContact OD2-CD2 3.29Å; D363-L406 HydrophobicContact CB-CD2 4.2Å; D363-V408 WeakPolarHBondContact O-CB 3.36Å; D363-V408 WeakPolarHBondContact O-CG2 3.35Å; D363-F454 WeakPolarHBondContact O-CE2 3.2Å
364	K	96.2	Very high	97.4	Very high	38 Å²	38	40.5 Å²	40.5	17%	0.165	19%	0.194	C	C	.	.	S	Bend	trans	50	35.5	-176.4	-55.6	-66	173.9	178	0	112.9	L361 N362 V408 N410 W411 F412	L361-K364 WeakPolarHBondContact O-CA 3.35Å; L361-K364 WeakPolarHBondContact O-CD 3.37Å; L361-K364 PolarHBondContact O-N 2.84Å; N362-K364 PolarHBondContact O-N 3.1Å; K364-V408 HydrophobicContact CB-CB 4.02Å; K364-V408 HydrophobicContact CB-CG1 3.89Å; K364-V408 HydrophobicContact CG-CB 3.87Å; K364-V408 HydrophobicContact CG-CG1 4.11Å; K364-V408 WeakPolarHBondContact CG-O 3.24Å; K364-N410 WeakPolarHBondContact CD-OD1 3.22Å; K364-N410 WeakPolarHBondContact CE-OD1 3.5Å; K364-N410 PolarHBondContact NZ-OD1 2.9Å; K364-W411 WeakPolarHBondContact O-CZ2 3.46Å; K364-W411 PolarHBondContact O-NE1 3.47Å; K364-F412 HydrophobicContact CB-CE1 4.26Å; K364-F412 WeakPolarHBondContact O-CE1 3.28Å
365	R	96.9	Very high	97.5	Very high	13 Å²	13	41.7 Å²	41.7	5%	0.049	20%	0.2	C	C	.	.	S	Bend	trans	-119	-42.7	170.4	174.2	174.1	173	-163.1	-6.3	110.8	D363 D380 V381 L382 A440 F454	D363-R365 PolarHBondContact O-N 3.08Å; D363-R365 VanDerWaalsContact O-N 3.13Å; D363-R365 PolarHBondContact OD1-N 2.92Å; R365-D380 IonicContact CZ-OD1 2.66Å; R365-D380 IonicContact CZ-OD2 3.08Å; R365-D380 IonicContact NE-OD1 2.7Å; R365-D380 PolarHBondContact NE-OD1 2.79Å; R365-D380 IonicContact NE-OD2 3.98Å; R365-D380 PolarHBondContact NE-OD2 3.15Å; R365-D380 IonicContact NH2-OD1 3.21Å; R365-D380 IonicContact NH2-OD2 2.86Å; R365-D380 PolarHBondContact NH2-OD2 2.88Å; R365-V381 VanDerWaalsContact O-CB 3.28Å; R365-V381 WeakPolarHBondContact O-CB 3.3Å; R365-V381 WeakPolarHBondContact O-CG2 3.43Å; R365-V381 PolarHBondContact O-N 3.09Å; R365-L382 HydrophobicContact CG-CB 4.03Å; R365-A440 PolarHBondContact NH1-O 3.36Å; R365-F454 HydrophobicContact CB-CE2 4.03Å; R365-F454 HydrophobicContact CB-CZ 4.19Å
366	Y	98.1	Very high	97.5	Very high	56 Å²	56	41.3 Å²	41.3	22%	0.22	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.1	-176.1	-67.4	-71.4	0	0	0	111.5	L361 D363 L378 W379 D380 V387	L361-Y366 PolarHBondContact N-O 3.09Å; D363-Y366 PolarHBondContact OD1-N 3.25Å; D363-Y366 VanDerWaalsContact OD2-CD2 3.31Å; D363-Y366 WeakPolarHBondContact OD2-CD2 3.29Å; Y366-L378 HydrophobicContact CD1-CD1 4.35Å; Y366-L378 HydrophobicContact CD1-CD2 4.45Å; Y366-L378 HydrophobicContact CD1-CG 4.29Å; Y366-L378 HydrophobicContact CG-CD1 4.35Å; Y366-W379 VanDerWaalsContact CA-O 3.28Å; Y366-W379 WeakPolarHBondContact CA-O 3.22Å; Y366-W379 WeakPolarHBondContact CD1-O 3.34Å; Y366-D380 HydrophobicContact CD1-CB 4.18Å; Y366-D380 HydrophobicContact CE1-CB 3.89Å; Y366-V387 HydrophobicContact CD1-CG2 4.22Å; Y366-V387 HydrophobicContact CE1-CG2 3.97Å
367	V	98.6	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.5	177.3	175	0	0	0	0	108.1	Y358 A360 T369 W379 V381 F412 L421	Y358-V367 HydrophobicContact CD2-CG1 4.22Å; A360-V367 HydrophobicContact CB-CG2 4.09Å; V367-T369 HydrophobicContact CG1-CG2 4.12Å; V367-W379 PolarHBondContact N-O 2.89Å; V367-W379 PolarHBondContact O-N 3.15Å; V367-V381 HydrophobicContact CB-CG2 4.4Å; V367-V381 HydrophobicContact CG2-CG2 3.55Å; V367-F412 HydrophobicContact CG2-CE2 4.14Å; V367-F412 HydrophobicContact CG2-CZ 4.04Å; V367-L421 HydrophobicContact CG1-CD1 4.31Å; V367-L421 HydrophobicContact CG1-CD2 4.5Å
368	Y	98.7	Very high	97.5	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.02	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.1	163.3	-83.2	-78.3	0	0	0	109.9	Y358 S359 L361 V376 A377 L378 Y390 L395 K398 V399 S402	Y358-Y368 CarbonylContact C-O 3.55Å; Y358-Y368 WeakPolarHBondContact CA-O 3.25Å; S359-Y368 PolarHBondContact N-O 2.97Å; S359-Y368 PolarHBondContact O-N 2.89Å; L361-Y368 HydrophobicContact CD1-CD2 4.27Å; L361-Y368 HydrophobicContact CD1-CE2 4.02Å; L361-Y368 HydrophobicContact CD2-CD2 3.96Å; L361-Y368 HydrophobicContact CD2-CE2 4.19Å; L361-Y368 HydrophobicContact CG-CD2 4.21Å; L361-Y368 HydrophobicContact CG-CE2 4.43Å; Y368-V376 HydrophobicContact CD1-CG1 3.7Å; Y368-V376 HydrophobicContact CE1-CG1 4.21Å; Y368-A377 CarbonylContact C-O 3.45Å; Y368-A377 VanDerWaalsContact CA-O 3.29Å; Y368-A377 WeakPolarHBondContact CA-O 3.44Å; Y368-L378 HydrophobicContact CD1-CB 4.22Å; Y368-L378 HydrophobicContact CD1-CD1 4.19Å; Y368-L378 HydrophobicContact CD2-CD1 3.91Å; Y368-L378 HydrophobicContact CE1-CB 3.92Å; Y368-L378 HydrophobicContact CE1-CD1 4.05Å; Y368-L378 HydrophobicContact CE2-CD1 3.75Å; Y368-L378 HydrophobicContact CG-CD1 4.13Å; Y368-Y390 HydrophobicContact CE1-CD2 4.11Å; Y368-Y390 AromaticContact CE1-CE2 3.61Å; Y368-Y390 HydrophobicContact CE1-CE2 3.61Å; Y368-L395 VanDerWaalsContact CB-CD1 3.45Å; Y368-L395 HydrophobicContact CG-CD1 4.31Å; Y368-K398 HydrophobicContact CD1-CB 4.23Å; Y368-K398 HydrophobicContact CE1-CB 3.79Å; Y368-K398 HydrophobicContact CE1-CG 4.38Å; Y368-K398 HydrophobicContact CE2-CB 4.3Å; Y368-V399 HydrophobicContact CD2-CG2 3.92Å; Y368-V399 HydrophobicContact CG-CG2 4.33Å; Y368-S402 WeakPolarHBondContact CE2-OG 3.37Å; Y368-S402 PolarHBondContact OH-OG 2.81Å; Y368-S402 VanDerWaalsContact OH-OG 3.11Å
369	T	98.6	Very high	97.6	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.025	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.8	173.3	66	0	0	0	0	111.4	I355 Q357 V367 V376 A377 W379 L421	I355-T369 HydrophobicContact CD1-CG2 4.43Å; I355-T369 HydrophobicContact CG2-CG2 3.81Å; Q357-T369 CarbonylContact O-C 3.6Å; Q357-T369 WeakPolarHBondContact O-CA 3.5Å; V367-T369 HydrophobicContact CG1-CG2 4.12Å; T369-V376 VanDerWaalsContact O-CA 3.25Å; T369-V376 WeakPolarHBondContact O-CA 3.39Å; T369-A377 PolarHBondContact N-O 3.2Å; T369-A377 PolarHBondContact O-N 3.29Å; T369-A377 VanDerWaalsContact O-N 3.09Å; T369-W379 VanDerWaalsContact CG2-NE1 3.35Å; T369-W379 PolarHBondContact OG1-NE1 3.18Å; T369-L421 HydrophobicContact CG2-CD1 4.4Å; T369-L421 HydrophobicContact CG2-CD2 4.44Å
370	R	98.6	Very high	97.6	Very high	70 Å²	70	26.9 Å²	26.9	26%	0.264	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.9	165.5	-175.6	177.8	68.6	108.5	-4.2	109.9	R356 Q357 N374 N375 V376 L395	R356-R370 PolarHBondContact N-O 3.27Å; Q357-R370 HydrophobicContact CB-CB 4.3Å; Q357-R370 PolarHBondContact N-O 2.97Å; Q357-R370 VanDerWaalsContact N-O 3.08Å; Q357-R370 PolarHBondContact O-N 3.41Å; Q357-R370 VanDerWaalsContact OE1-CZ 3.26Å; R370-N374 PolarHBondContact NH1-OD1 3.47Å; R370-N375 WeakPolarHBondContact CA-O 3.32Å; R370-V376 HydrophobicContact CB-CG2 4.46Å; R370-V376 HydrophobicContact CG-CG2 4.49Å; R370-L395 HydrophobicContact CB-CD2 4.11Å
371	D	98.1	Very high	97.6	Very high	17 Å²	17	25.6 Å²	25.6	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-178.6	179.7	72.2	19.4	0	0	0	113.7	P353 S354 E373 N374 N375	P353-D371 HydrophobicContact CB-CB 3.78Å; P353-D371 VanDerWaalsContact CB-CG 3.41Å; P353-D371 WeakPolarHBondContact CB-OD2 3.15Å; S354-D371 CarbonylContact O-C 3.49Å; S354-D371 WeakPolarHBondContact O-CA 3.49Å; S354-D371 VanDerWaalsContact O-CB 3.32Å; S354-D371 WeakPolarHBondContact O-CB 3.35Å; D371-E373 PolarHBondContact O-N 2.9Å; D371-E373 VanDerWaalsContact OD1-C 3.26Å; D371-E373 WeakPolarHBondContact OD1-CA 3.37Å; D371-E373 PolarHBondContact OD1-N 3.02Å; D371-N374 PolarHBondContact O-N 2.8Å; D371-N374 PolarHBondContact OD1-N 2.93Å; D371-N375 PolarHBondContact N-O 3.25Å; D371-N375 VanDerWaalsContact N-O 3.1Å; D371-N375 PolarHBondContact OD1-N 3.24Å; D371-N375 WeakPolarHBondContact OD2-CB 3.3Å; D371-N375 PolarHBondContact OD2-ND2 2.74Å
372	S	96.6	Very high	97.6	Very high	49 Å²	49	25.1 Å²	25.1	34%	0.343	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.1	179	56	0	0	0	0	114.3	P353 S354 N374	P353-S372 WeakPolarHBondContact CA-OG 3.46Å; S354-S372 PolarHBondContact N-OG 2.9Å; S354-S372 PolarHBondContact O-N 3.39Å; S372-N374 VanDerWaalsContact C-N 3.34Å
373	E	96.6	Very high	97.8	Very high	88 Å²	88	25.9 Å²	25.9	41%	0.411	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11.5	171.1	-70.1	-173.5	174.2	0	0	111.3	K350 P353 D371 N375 C392	K350-E373 IonicContact NZ-OE1 3.43Å; K350-E373 PolarHBondContact NZ-OE1 2.84Å; P353-E373 HydrophobicContact CB-CB 4.37Å; P353-E373 HydrophobicContact CB-CG 4.21Å; P353-E373 HydrophobicContact CG-CB 4.21Å; P353-E373 HydrophobicContact CG-CG 3.83Å; P353-E373 WeakPolarHBondContact CG-OE2 3.43Å; D371-E373 PolarHBondContact O-N 2.9Å; D371-E373 VanDerWaalsContact OD1-C 3.26Å; D371-E373 WeakPolarHBondContact OD1-CA 3.37Å; D371-E373 PolarHBondContact OD1-N 3.02Å; E373-N375 WeakPolarHBondContact CB-ND2 3.49Å; E373-N375 PolarHBondContact O-N 3.38Å; E373-C392 PolarHBondContact O-SG 2.66Å; E373-C392 VanDerWaalsContact O-SG 3.38Å
374	N	97.8	Very high	98	Very high	80 Å²	80	25.1 Å²	25.1	43%	0.428	12%	0.121	S	C	.	.			trans	65.7	13.9	-177.5	-56.9	-59.4	0	0	0	115.6	R370 D371 S372 C392	R370-N374 PolarHBondContact NH1-OD1 3.47Å; D371-N374 PolarHBondContact O-N 2.8Å; D371-N374 PolarHBondContact OD1-N 2.93Å; S372-N374 VanDerWaalsContact C-N 3.34Å; N374-C392 WeakPolarHBondContact O-CA 3.14Å
375	N	98.3	Very high	98.1	Very high	27 Å²	27	29.4 Å²	29.4	14%	0.144	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.8	176.8	-55.8	-60	0	0	0	110.6	R370 D371 E373 G391	R370-N375 WeakPolarHBondContact CA-O 3.32Å; D371-N375 PolarHBondContact N-O 3.25Å; D371-N375 VanDerWaalsContact N-O 3.1Å; D371-N375 PolarHBondContact OD1-N 3.24Å; D371-N375 WeakPolarHBondContact OD2-CB 3.3Å; D371-N375 PolarHBondContact OD2-ND2 2.74Å; E373-N375 WeakPolarHBondContact CB-ND2 3.49Å; E373-N375 PolarHBondContact O-N 3.38Å; N375-G391 WeakPolarHBondContact CA-O 3.44Å
376	V	98.6	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133	175.3	175	0	0	0	0	110	Y368 T369 R370 Y390 G391 Q393 L395 K398	Y368-V376 HydrophobicContact CD1-CG1 3.7Å; Y368-V376 HydrophobicContact CE1-CG1 4.21Å; T369-V376 VanDerWaalsContact O-CA 3.25Å; T369-V376 WeakPolarHBondContact O-CA 3.39Å; R370-V376 HydrophobicContact CB-CG2 4.46Å; R370-V376 HydrophobicContact CG-CG2 4.49Å; V376-Y390 HydrophobicContact CG1-CD2 4.37Å; V376-Y390 WeakPolarHBondContact O-CA 3.22Å; V376-Y390 WeakPolarHBondContact O-CB 3.46Å; V376-Y390 PolarHBondContact O-N 3.26Å; V376-G391 PolarHBondContact N-O 3.12Å; V376-Q393 HydrophobicContact CB-CB 4.37Å; V376-Q393 HydrophobicContact CG2-CB 4.4Å; V376-Q393 WeakPolarHBondContact CG2-O 3.31Å; V376-L395 HydrophobicContact CG1-CD1 4.23Å; V376-L395 HydrophobicContact CG2-CB 4.16Å; V376-K398 HydrophobicContact CG1-CG 4.47Å
377	A	98.5	Very high	98.2	Very high	6 Å²	6	32.7 Å²	32.7	5%	0.05	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.7	175.7	0	0	0	0	0	111.2	Y368 T369 W379 K386 K388	Y368-A377 CarbonylContact C-O 3.45Å; Y368-A377 VanDerWaalsContact CA-O 3.29Å; Y368-A377 WeakPolarHBondContact CA-O 3.44Å; T369-A377 PolarHBondContact N-O 3.2Å; T369-A377 PolarHBondContact O-N 3.29Å; T369-A377 VanDerWaalsContact O-N 3.09Å; A377-W379 HydrophobicContact CB-CZ2 4.28Å; A377-K386 HydrophobicContact CB-CD 4.46Å; A377-K388 CarbonylContact C-O 3.55Å; A377-K388 WeakPolarHBondContact CA-O 3.45Å
378	L	98.6	Very high	98.1	Very high	19 Å²	19	38.2 Å²	38.2	10%	0.099	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.5	173.7	-179	67.8	0	0	0	109.4	Y366 Y368 V387 K388 Y390	Y366-L378 HydrophobicContact CD1-CD1 4.35Å; Y366-L378 HydrophobicContact CD1-CD2 4.45Å; Y366-L378 HydrophobicContact CD1-CG 4.29Å; Y366-L378 HydrophobicContact CG-CD1 4.35Å; Y368-L378 HydrophobicContact CD1-CB 4.22Å; Y368-L378 HydrophobicContact CD1-CD1 4.19Å; Y368-L378 HydrophobicContact CD2-CD1 3.91Å; Y368-L378 HydrophobicContact CE1-CB 3.92Å; Y368-L378 HydrophobicContact CE1-CD1 4.05Å; Y368-L378 HydrophobicContact CE2-CD1 3.75Å; Y368-L378 HydrophobicContact CG-CD1 4.13Å; L378-V387 HydrophobicContact CB-CB 4.42Å; L378-V387 HydrophobicContact CD2-CB 4.29Å; L378-V387 HydrophobicContact CD2-CG1 4.18Å; L378-V387 HydrophobicContact CG-CB 4.22Å; L378-V387 WeakPolarHBondContact O-CB 3.5Å; L378-V387 PolarHBondContact O-N 3.18Å; L378-K388 PolarHBondContact N-O 2.9Å; L378-K388 PolarHBondContact O-N 3.31Å; L378-Y390 HydrophobicContact CB-CE2 3.78Å
379	W	98.7	Very high	98.1	Very high	13 Å²	13	42.8 Å²	42.8	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.1	-176.9	-53.3	81.2	0	0	0	110.4	I21 I355 Y366 V367 T369 A377 K386 L421	I21-W379 HydrophobicContact CB-CE3 4.43Å; I21-W379 HydrophobicContact CG2-CE3 3.54Å; I21-W379 HydrophobicContact CG2-CZ3 3.81Å; I355-W379 HydrophobicContact CD1-CH2 4.29Å; I355-W379 HydrophobicContact CD1-CZ2 3.76Å; Y366-W379 VanDerWaalsContact CA-O 3.28Å; Y366-W379 WeakPolarHBondContact CA-O 3.22Å; Y366-W379 WeakPolarHBondContact CD1-O 3.34Å; V367-W379 PolarHBondContact N-O 2.89Å; V367-W379 PolarHBondContact O-N 3.15Å; T369-W379 VanDerWaalsContact CG2-NE1 3.35Å; T369-W379 PolarHBondContact OG1-NE1 3.18Å; A377-W379 HydrophobicContact CB-CZ2 4.28Å; W379-K386 HydrophobicContact CD2-CB 4.26Å; W379-K386 HydrophobicContact CD2-CG 4.19Å; W379-K386 VanDerWaalsContact CE3-CA 3.49Å; W379-K386 HydrophobicContact CE3-CB 3.62Å; W379-K386 HydrophobicContact CE3-CG 4.03Å; W379-K386 HydrophobicContact CH2-CB 4.14Å; W379-K386 HydrophobicContact CH2-CD 4.33Å; W379-K386 HydrophobicContact CH2-CG 4.15Å; W379-K386 HydrophobicContact CZ2-CD 4.47Å; W379-K386 HydrophobicContact CZ2-CG 4.27Å; W379-K386 HydrophobicContact CZ3-CB 3.56Å; W379-K386 HydrophobicContact CZ3-CG 4.02Å; W379-L421 HydrophobicContact CB-CD2 3.63Å; W379-L421 HydrophobicContact CD2-CD2 3.94Å; W379-L421 HydrophobicContact CE3-CD2 4.38Å; W379-L421 HydrophobicContact CG-CD2 3.59Å
380	D	98.4	Very high	98	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.011	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.5	174.1	-171.5	-13.9	0	0	0	108	R365 Y366 L382 K383 A384 R385 V387	R365-D380 IonicContact CZ-OD1 2.66Å; R365-D380 IonicContact CZ-OD2 3.08Å; R365-D380 IonicContact NE-OD1 2.7Å; R365-D380 PolarHBondContact NE-OD1 2.79Å; R365-D380 IonicContact NE-OD2 3.98Å; R365-D380 PolarHBondContact NE-OD2 3.15Å; R365-D380 IonicContact NH2-OD1 3.21Å; R365-D380 IonicContact NH2-OD2 2.86Å; R365-D380 PolarHBondContact NH2-OD2 2.88Å; Y366-D380 HydrophobicContact CD1-CB 4.18Å; Y366-D380 HydrophobicContact CE1-CB 3.89Å; D380-L382 VanDerWaalsContact C-N 3.28Å; D380-L382 PolarHBondContact O-N 3.5Å; D380-L382 WeakPolarHBondContact OD1-CB 3.34Å; D380-L382 PolarHBondContact OD1-N 3.28Å; D380-K383 HydrophobicContact CB-CB 4.32Å; D380-K383 PolarHBondContact O-N 2.97Å; D380-K383 PolarHBondContact OD1-N 3.38Å; D380-K383 WeakPolarHBondContact OD2-CD 3.44Å; D380-K383 WeakPolarHBondContact OD2-CG 3.17Å; D380-A384 WeakPolarHBondContact O-CA 3.27Å; D380-A384 PolarHBondContact O-N 3.1Å; D380-R385 HydrophobicContact CB-CG 4.34Å; D380-R385 PolarHBondContact N-O 3.18Å; D380-R385 PolarHBondContact O-N 3.09Å; D380-V387 HydrophobicContact CB-CG2 3.57Å
381	V	98.6	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-40.4	-179.9	172.4	0	0	0	0	110.4	F19 R365 V367 K383 A384 W411 F412 I423	F19-V381 HydrophobicContact CZ-CG1 4.17Å; R365-V381 VanDerWaalsContact O-CB 3.28Å; R365-V381 WeakPolarHBondContact O-CB 3.3Å; R365-V381 WeakPolarHBondContact O-CG2 3.43Å; R365-V381 PolarHBondContact O-N 3.09Å; V367-V381 HydrophobicContact CB-CG2 4.4Å; V367-V381 HydrophobicContact CG2-CG2 3.55Å; V381-K383 VanDerWaalsContact C-N 3.31Å; V381-K383 PolarHBondContact O-N 3.04Å; V381-A384 PolarHBondContact O-N 2.99Å; V381-W411 HydrophobicContact CG1-CH2 4.1Å; V381-W411 HydrophobicContact CG1-CZ2 4.28Å; V381-F412 HydrophobicContact CG1-CD1 4.41Å; V381-F412 HydrophobicContact CG1-CE1 4.43Å; V381-F412 HydrophobicContact CG1-CG 4.48Å; V381-F412 HydrophobicContact CG2-CE2 4.16Å; V381-F412 HydrophobicContact CG2-CZ 4.03Å; V381-I423 HydrophobicContact CG1-CD1 4.27Å; V381-I423 HydrophobicContact CG1-CG1 4.06Å; V381-I423 HydrophobicContact CG1-CG2 3.84Å; V381-I423 HydrophobicContact CG2-CD1 3.92Å; V381-I423 HydrophobicContact CG2-CG1 4.39Å
382	L	97.6	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-34	-175.8	-171	62.4	0	0	0	111.8	R365 D380 W411 L442 F454 L457 L458 F491	R365-L382 HydrophobicContact CG-CB 4.03Å; D380-L382 VanDerWaalsContact C-N 3.28Å; D380-L382 PolarHBondContact O-N 3.5Å; D380-L382 WeakPolarHBondContact OD1-CB 3.34Å; D380-L382 PolarHBondContact OD1-N 3.28Å; L382-W411 HydrophobicContact CD1-CH2 4.49Å; L382-L442 HydrophobicContact CD2-CD1 4.12Å; L382-F454 HydrophobicContact CD1-CB 4.21Å; L382-F454 HydrophobicContact CD1-CD1 4.14Å; L382-F454 HydrophobicContact CD1-CG 4.46Å; L382-F454 WeakPolarHBondContact CD1-O 3.31Å; L382-F454 HydrophobicContact CD2-CD1 3.62Å; L382-F454 HydrophobicContact CD2-CE1 3.73Å; L382-F454 HydrophobicContact CG-CD1 4.5Å; L382-L457 HydrophobicContact CD1-CB 4.39Å; L382-L458 HydrophobicContact CD1-CB 4.04Å; L382-L458 WeakPolarHBondContact O-CD1 3.3Å; L382-F491 HydrophobicContact CD1-CE1 3.97Å; L382-F491 HydrophobicContact CD1-CE2 4.32Å; L382-F491 HydrophobicContact CD1-CZ 3.44Å; L382-F491 VanDerWaalsContact CD1-CZ 3.44Å; L382-F491 HydrophobicContact CD2-CE1 3.75Å; L382-F491 HydrophobicContact CD2-CZ 4.07Å; L382-F491 HydrophobicContact CG-CD1 4.48Å; L382-F491 HydrophobicContact CG-CE1 3.58Å; L382-F491 HydrophobicContact CG-CE2 4.1Å; L382-F491 HydrophobicContact CG-CZ 3.37Å; L382-F491 WeakPolarHBondContact O-CE2 3.43Å
383	K	97.8	Very high	97.8	Very high	40 Å²	40	49 Å²	49	17%	0.174	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	8.9	178.4	-59.8	-170.2	178.7	-167.7	0	113.8	D380 V381 R385 F491 P494	D380-K383 HydrophobicContact CB-CB 4.32Å; D380-K383 PolarHBondContact O-N 2.97Å; D380-K383 PolarHBondContact OD1-N 3.38Å; D380-K383 WeakPolarHBondContact OD2-CD 3.44Å; D380-K383 WeakPolarHBondContact OD2-CG 3.17Å; V381-K383 VanDerWaalsContact C-N 3.31Å; V381-K383 PolarHBondContact O-N 3.04Å; K383-R385 VanDerWaalsContact C-N 3.32Å; K383-R385 HydrophobicContact CB-CG 4.09Å; K383-R385 PolarHBondContact O-N 3.5Å; K383-F491 HydrophobicContact CD-CB 4.27Å; K383-F491 HydrophobicContact CG-CB 4.24Å; K383-F491 HydrophobicContact CG-CD2 4.09Å; K383-F491 HydrophobicContact CG-CG 4.04Å; K383-P494 WeakPolarHBondContact O-CD 3.11Å
384	A	98.4	Very high	97.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	49.7	-179.2	0	0	0	0	0	114.2	F19 I21 D380 V381 V493 T497	F19-A384 HydrophobicContact CD2-CB 4.02Å; F19-A384 HydrophobicContact CE2-CB 3.73Å; I21-A384 HydrophobicContact CG1-CB 4.22Å; D380-A384 WeakPolarHBondContact O-CA 3.27Å; D380-A384 PolarHBondContact O-N 3.1Å; V381-A384 PolarHBondContact O-N 2.99Å; A384-V493 HydrophobicContact CB-CB 4.11Å; A384-V493 HydrophobicContact CB-CG1 3.89Å; A384-T497 HydrophobicContact CB-CG2 4.14Å
385	R	98.3	Very high	97.8	Very high	128 Å²	128	45.9 Å²	45.9	48%	0.483	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.9	-176.8	67	-174.3	-179.7	176.1	4.4	114.4	D380 K383	D380-R385 HydrophobicContact CB-CG 4.34Å; D380-R385 PolarHBondContact N-O 3.18Å; D380-R385 PolarHBondContact O-N 3.09Å; K383-R385 VanDerWaalsContact C-N 3.32Å; K383-R385 HydrophobicContact CB-CG 4.09Å; K383-R385 PolarHBondContact O-N 3.5Å
386	K	98.1	Very high	97.8	Very high	65 Å²	65	50.9 Å²	50.9	28%	0.283	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.4	165.8	-164.2	-173	-71.2	179.7	0	109	A377 W379 E389	A377-K386 HydrophobicContact CB-CD 4.46Å; W379-K386 HydrophobicContact CD2-CB 4.26Å; W379-K386 HydrophobicContact CD2-CG 4.19Å; W379-K386 VanDerWaalsContact CE3-CA 3.49Å; W379-K386 HydrophobicContact CE3-CB 3.62Å; W379-K386 HydrophobicContact CE3-CG 4.03Å; W379-K386 HydrophobicContact CH2-CB 4.14Å; W379-K386 HydrophobicContact CH2-CD 4.33Å; W379-K386 HydrophobicContact CH2-CG 4.15Å; W379-K386 HydrophobicContact CZ2-CD 4.47Å; W379-K386 HydrophobicContact CZ2-CG 4.27Å; W379-K386 HydrophobicContact CZ3-CB 3.56Å; W379-K386 HydrophobicContact CZ3-CG 4.02Å; K386-E389 IonicContact NZ-OE2 3.4Å; K386-E389 PolarHBondContact NZ-OE2 3.18Å
387	V	97.9	Very high	97.7	Very high	72 Å²	72	55.6 Å²	55.6	44%	0.436	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-50.4	177.4	179.4	0	0	0	0	110.2	Y366 L378 D380	Y366-V387 HydrophobicContact CD1-CG2 4.22Å; Y366-V387 HydrophobicContact CE1-CG2 3.97Å; L378-V387 HydrophobicContact CB-CB 4.42Å; L378-V387 HydrophobicContact CD2-CB 4.29Å; L378-V387 HydrophobicContact CD2-CG1 4.18Å; L378-V387 HydrophobicContact CG-CB 4.22Å; L378-V387 WeakPolarHBondContact O-CB 3.5Å; L378-V387 PolarHBondContact O-N 3.18Å; D380-V387 HydrophobicContact CB-CG2 3.57Å
388	K	97.9	Very high	97.7	Very high	116 Å²	116	57.1 Å²	57.1	50%	0.504	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	144.5	-173.7	-174.2	164.9	178.4	177	0	111.1	A377 L378 Y390	A377-K388 CarbonylContact C-O 3.55Å; A377-K388 WeakPolarHBondContact CA-O 3.45Å; L378-K388 PolarHBondContact N-O 2.9Å; L378-K388 PolarHBondContact O-N 3.31Å; K388-Y390 HydrophobicContact CB-CE2 4.03Å; K388-Y390 HydrophobicContact CD-CD1 4.5Å; K388-Y390 HydrophobicContact CD-CE1 3.8Å; K388-Y390 HydrophobicContact CD-CE2 4.39Å; K388-Y390 HydrophobicContact CG-CD2 4.48Å; K388-Y390 HydrophobicContact CG-CE1 4.18Å; K388-Y390 HydrophobicContact CG-CE2 4.02Å
389	E	97.3	Very high	97.6	Very high	102 Å²	102	57.8 Å²	57.8	48%	0.477	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.2	170.9	-164.9	158.1	159.7	0	0	109.6	K386	K386-E389 IonicContact NZ-OE2 3.4Å; K386-E389 PolarHBondContact NZ-OE2 3.18Å
390	Y	97.6	Very high	97.5	Very high	59 Å²	59	64.4 Å²	64.4	23%	0.231	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-7.7	-175.5	-61.8	-89.9	0	0	0	112.9	Y368 V376 L378 K388 Q393 K398	Y368-Y390 HydrophobicContact CE1-CD2 4.11Å; Y368-Y390 AromaticContact CE1-CE2 3.61Å; Y368-Y390 HydrophobicContact CE1-CE2 3.61Å; V376-Y390 HydrophobicContact CG1-CD2 4.37Å; V376-Y390 WeakPolarHBondContact O-CA 3.22Å; V376-Y390 WeakPolarHBondContact O-CB 3.46Å; V376-Y390 PolarHBondContact O-N 3.26Å; L378-Y390 HydrophobicContact CB-CE2 3.78Å; K388-Y390 HydrophobicContact CB-CE2 4.03Å; K388-Y390 HydrophobicContact CD-CD1 4.5Å; K388-Y390 HydrophobicContact CD-CE1 3.8Å; K388-Y390 HydrophobicContact CD-CE2 4.39Å; K388-Y390 HydrophobicContact CG-CD2 4.48Å; K388-Y390 HydrophobicContact CG-CE1 4.18Å; K388-Y390 HydrophobicContact CG-CE2 4.02Å; Y390-Q393 VanDerWaalsContact O-CG 3.31Å; Y390-Q393 WeakPolarHBondContact O-CG 3.28Å; Y390-K398 HydrophobicContact CD1-CD 4.32Å; Y390-K398 HydrophobicContact CE1-CD 4.39Å
391	G	96.4	Very high	97.4	Very high	21 Å²	21	69.5 Å²	69.5	22%	0.216	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.3	-158.6	-172.4	0	0	0	0	0	112.3	N375 V376 Q393	N375-G391 WeakPolarHBondContact CA-O 3.44Å; V376-G391 PolarHBondContact N-O 3.12Å; G391-Q393 PolarHBondContact O-N 2.79Å
392	C	96.8	Very high	97.2	Very high	91 Å²	91	71.1 Å²	71.1	62%	0.615	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	85.4	-179	-69.8	0	0	0	0	112.3	E373 N374	E373-C392 PolarHBondContact O-SG 2.66Å; E373-C392 VanDerWaalsContact O-SG 3.38Å; N374-C392 WeakPolarHBondContact O-CA 3.14Å
393	Q	95.7	Very high	97	Very high	99 Å²	99	76.3 Å²	76.3	46%	0.463	37%	0.37	S	S	.	.			trans	-124.9	163.3	-179.7	-70.3	-74.3	1.2	0	0	110.7	V376 Y390 G391 L395	V376-Q393 HydrophobicContact CB-CB 4.37Å; V376-Q393 HydrophobicContact CG2-CB 4.4Å; V376-Q393 WeakPolarHBondContact CG2-O 3.31Å; Y390-Q393 VanDerWaalsContact O-CG 3.31Å; Y390-Q393 WeakPolarHBondContact O-CG 3.28Å; G391-Q393 PolarHBondContact O-N 2.79Å; Q393-L395 PolarHBondContact O-N 3.42Å
394	N	97.1	Very high	96.5	Very high	83 Å²	83	82 Å²	82	44%	0.444	39%	0.39	S	S	.	.			trans	-74.9	115.2	174.7	-173.8	-58.2	0	0	0	110.7	E396 Q397 K398	N394-E396 WeakPolarHBondContact OD1-CB 3.19Å; N394-E396 PolarHBondContact OD1-N 3.41Å; N394-Q397 HydrophobicContact CB-CB 3.88Å; N394-Q397 PolarHBondContact O-N 3.01Å; N394-Q397 PolarHBondContact OD1-N 2.9Å; N394-K398 PolarHBondContact O-N 2.91Å; N394-K398 VanDerWaalsContact O-N 3.15Å
395	L	97.6	Very high	96.1	Very high	19 Å²	19	86.4 Å²	86.4	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-58.3	-48.5	180	175.6	63.2	0	0	0	112.3	Q357 Y368 R370 V376 Q393 Q397 K398 V399	Q357-L395 HydrophobicContact CB-CD2 4.26Å; Y368-L395 VanDerWaalsContact CB-CD1 3.45Å; Y368-L395 HydrophobicContact CG-CD1 4.31Å; R370-L395 HydrophobicContact CB-CD2 4.11Å; V376-L395 HydrophobicContact CG1-CD1 4.23Å; V376-L395 HydrophobicContact CG2-CB 4.16Å; Q393-L395 PolarHBondContact O-N 3.42Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 3.18Å; L395-K398 PolarHBondContact O-N 3.35Å; L395-V399 HydrophobicContact CD1-CG2 4.46Å; L395-V399 WeakPolarHBondContact O-CG2 3.32Å; L395-V399 PolarHBondContact O-N 3.31Å
396	E	97.5	Very high	95.7	Very high	132 Å²	132	81.4 Å²	81.4	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-65.4	-38.2	-177	-62.1	177.7	-175.6	0	0	111.8	N394 V399 K400	N394-E396 WeakPolarHBondContact OD1-CB 3.19Å; N394-E396 PolarHBondContact OD1-N 3.41Å; E396-V399 PolarHBondContact O-N 3.48Å; E396-K400 VanDerWaalsContact O-CG 3.32Å; E396-K400 WeakPolarHBondContact O-CG 3.29Å; E396-K400 PolarHBondContact O-N 2.78Å
397	Q	97.5	Very high	95.5	Very high	100 Å²	100	80.6 Å²	80.6	47%	0.467	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-45.5	175	-176.3	179.3	-12.3	0	0	110.9	N394 L395 V399 K400 E401	N394-Q397 HydrophobicContact CB-CB 3.88Å; N394-Q397 PolarHBondContact O-N 3.01Å; N394-Q397 PolarHBondContact OD1-N 2.9Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 3.18Å; Q397-V399 VanDerWaalsContact C-N 3.31Å; Q397-V399 PolarHBondContact O-N 2.85Å; Q397-K400 PolarHBondContact O-N 3.03Å; Q397-E401 HydrophobicContact CG-CG 4.42Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.42Å; Q397-E401 PolarHBondContact NE2-OE1 3.45Å; Q397-E401 WeakPolarHBondContact O-CG 2.89Å; Q397-E401 PolarHBondContact O-N 2.91Å
398	K	96.8	Very high	95.4	Very high	38 Å²	38	77.2 Å²	77.2	17%	0.165	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-37.7	177.8	-73.5	-71.7	160	-143.6	0	113	Y368 V376 Y390 N394 L395 E401 S402	Y368-K398 HydrophobicContact CD1-CB 4.23Å; Y368-K398 HydrophobicContact CE1-CB 3.79Å; Y368-K398 HydrophobicContact CE1-CG 4.38Å; Y368-K398 HydrophobicContact CE2-CB 4.3Å; V376-K398 HydrophobicContact CG1-CG 4.47Å; Y390-K398 HydrophobicContact CD1-CD 4.32Å; Y390-K398 HydrophobicContact CE1-CD 4.39Å; N394-K398 PolarHBondContact O-N 2.91Å; N394-K398 VanDerWaalsContact O-N 3.15Å; L395-K398 PolarHBondContact O-N 3.35Å; K398-E401 IonicContact NZ-OE2 3.59Å; K398-E401 PolarHBondContact NZ-OE2 3.22Å; K398-S402 WeakPolarHBondContact O-CB 3.15Å; K398-S402 PolarHBondContact O-N 2.9Å; K398-S402 PolarHBondContact O-OG 3.38Å
399	V	97.2	Very high	95.2	Very high	33 Å²	33	72.9 Å²	72.9	20%	0.2	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-45.5	173.4	171.9	0	0	0	0	110.9	S359 L361 Y368 L395 E396 Q397 S402 F403	S359-V399 WeakPolarHBondContact OG-CG2 3.49Å; L361-V399 HydrophobicContact CD2-CB 4.36Å; L361-V399 HydrophobicContact CD2-CG1 3.97Å; L361-V399 HydrophobicContact CD2-CG2 4.35Å; Y368-V399 HydrophobicContact CD2-CG2 3.92Å; Y368-V399 HydrophobicContact CG-CG2 4.33Å; L395-V399 HydrophobicContact CD1-CG2 4.46Å; L395-V399 WeakPolarHBondContact O-CG2 3.32Å; L395-V399 PolarHBondContact O-N 3.31Å; E396-V399 PolarHBondContact O-N 3.48Å; Q397-V399 VanDerWaalsContact C-N 3.31Å; Q397-V399 PolarHBondContact O-N 2.85Å; V399-S402 PolarHBondContact O-N 2.9Å; V399-F403 PolarHBondContact O-N 2.68Å
400	K	96.6	Very high	95.2	Very high	152 Å²	152	72.4 Å²	72.4	66%	0.661	36%	0.355	S	S	*	.	H	α-helix	trans	-62.9	-44.2	177.5	-72.6	171.9	-175.8	173.3	0	112.4	E396 Q397 S402 F403	E396-K400 VanDerWaalsContact O-CG 3.32Å; E396-K400 WeakPolarHBondContact O-CG 3.29Å; E396-K400 PolarHBondContact O-N 2.78Å; Q397-K400 PolarHBondContact O-N 3.03Å; K400-S402 PolarHBondContact O-N 3.33Å; K400-F403 WeakPolarHBondContact O-CB 3.43Å; K400-F403 PolarHBondContact O-N 3.07Å
401	E	96.4	Very high	95.2	Very high	108 Å²	108	69.7 Å²	69.7	51%	0.505	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-27.2	177.3	-74	170.7	-175.1	0	0	112.9	Q397 K398	Q397-E401 HydrophobicContact CG-CG 4.42Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.42Å; Q397-E401 PolarHBondContact NE2-OE1 3.45Å; Q397-E401 WeakPolarHBondContact O-CG 2.89Å; Q397-E401 PolarHBondContact O-N 2.91Å; K398-E401 IonicContact NZ-OE2 3.59Å; K398-E401 PolarHBondContact NZ-OE2 3.22Å
402	S	94.8	Very high	95.2	Very high	35 Å²	35	69.5 Å²	69.5	25%	0.245	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.4	-178.6	-55.7	0	0	0	0	113.6	Y368 K398 V399 K400 R404	Y368-S402 WeakPolarHBondContact CE2-OG 3.37Å; Y368-S402 PolarHBondContact OH-OG 2.81Å; Y368-S402 VanDerWaalsContact OH-OG 3.11Å; K398-S402 WeakPolarHBondContact O-CB 3.15Å; K398-S402 PolarHBondContact O-N 2.9Å; K398-S402 PolarHBondContact O-OG 3.38Å; V399-S402 PolarHBondContact O-N 2.9Å; K400-S402 PolarHBondContact O-N 3.33Å; S402-R404 PolarHBondContact O-N 3.25Å
403	F	92.5	Very high	95.3	Very high	108 Å²	108	68.5 Å²	68.5	47%	0.474	33%	0.329	S	S	.	.			trans	-63.5	135.6	-178.2	-179.2	-94.6	0	0	0	111.1	N362 V399 K400 F648	N362-F403 HydrophobicContact CB-CE2 4.42Å; V399-F403 PolarHBondContact O-N 2.68Å; K400-F403 WeakPolarHBondContact O-CB 3.43Å; K400-F403 PolarHBondContact O-N 3.07Å; F403-F648 HydrophobicContact CE2-CE1 4.24Å; F403-F648 HydrophobicContact CE2-CZ 4.19Å; F403-F648 AromaticContact CZ-CE1 3.95Å; F403-F648 HydrophobicContact CZ-CE1 3.95Å; F403-F648 AromaticContact CZ-CZ 3.98Å; F403-F648 HydrophobicContact CZ-CZ 3.98Å
404	R	88.7	Confident	95.4	Very high	160 Å²	160	64.7 Å²	64.7	60%	0.604	31%	0.312	S	S	*	.			trans	-123.3	152.1	173	-62.8	-178.6	-178.5	-176.5	-0.6	109.5	N362 S402 L406	N362-R404 PolarHBondContact ND2-O 2.75Å; S402-R404 PolarHBondContact O-N 3.25Å; R404-L406 HydrophobicContact CB-CB 4.5Å; R404-L406 PolarHBondContact O-N 3.38Å
405	M	89.3	Confident	95.4	Very high	93 Å²	93	63.2 Å²	63.2	46%	0.458	30%	0.304	S	S	.	.	S	Bend	trans	-78.1	65.6	174.4	-166.6	70	163.7	0	0	110.8	M640 T644 F648	M405-M640 HydrophobicContact CE-CE 4.07Å; M405-M640 HydrophobicContact CG-CE 4.39Å; M405-T644 HydrophobicContact CG-CG2 4.48Å; M405-T644 WeakPolarHBondContact O-CG2 3.26Å; M405-F648 HydrophobicContact CE-CB 3.79Å; M405-F648 HydrophobicContact CE-CG 4.3Å; M405-F648 HydrophobicContact SD-CB 4.33Å; M405-F648 HydrophobicContact SD-CD2 4.2Å; M405-F648 HydrophobicContact SD-CG 4.2Å
406	L	90.8	Very high	95.4	Very high	23 Å²	23	63.8 Å²	63.8	12%	0.12	31%	0.307	C	S	.	.			trans	-138	135.6	-177.1	174.4	66.4	0	0	0	109.1	N362 D363 R404 V408 D439	N362-L406 PolarHBondContact ND2-O 3.3Å; D363-L406 HydrophobicContact CB-CD2 4.2Å; R404-L406 HydrophobicContact CB-CB 4.5Å; R404-L406 PolarHBondContact O-N 3.38Å; L406-V408 HydrophobicContact CD2-CG2 4.17Å; L406-V408 HydrophobicContact CG-CG2 4.16Å; L406-D439 HydrophobicContact CD2-CB 4.26Å
407	F	93.1	Very high	95.4	Very high	48 Å²	48	60.5 Å²	60.5	21%	0.211	29%	0.291	C	S	.	.			trans	-114.4	117.2	173.9	179.8	-109.9	0	0	0	111.5	P409 R643 T644 H647 F648	F407-P409 HydrophobicContact CE1-CG 4.17Å; F407-R643 HydrophobicContact CD1-CB 4.36Å; F407-R643 WeakPolarHBondContact O-CD 3.46Å; F407-T644 PolarHBondContact N-OG1 3.29Å; F407-T644 VanDerWaalsContact N-OG1 3.14Å; F407-H647 HydrophobicContact CB-CB 4.06Å; F407-H647 HydrophobicContact CD1-CB 3.78Å; F407-H647 HydrophobicContact CD2-CB 3.93Å; F407-H647 AromaticContact CD2-CD2 3.23Å; F407-H647 WeakPolarHBondContact CD2-CD2 3.39Å; F407-H647 AromaticContact CD2-CE1 3.83Å; F407-H647 AromaticContact CD2-CG 3.35Å; F407-H647 AromaticContact CD2-ND1 3.73Å; F407-H647 AromaticContact CD2-NE2 3.56Å; F407-H647 HydrophobicContact CE1-CB 4.19Å; F407-H647 HydrophobicContact CE2-CB 4.34Å; F407-H647 AromaticContact CE2-CD2 3.61Å; F407-H647 AromaticContact CE2-CE1 3.34Å; F407-H647 WeakPolarHBondContact CE2-CE1 3.42Å; F407-H647 AromaticContact CE2-CG 3.52Å; F407-H647 AromaticContact CE2-ND1 3.35Å; F407-H647 WeakPolarHBondContact CE2-ND1 3.37Å; F407-H647 AromaticContact CE2-NE2 3.5Å; F407-H647 WeakPolarHBondContact CE2-NE2 3.45Å; F407-H647 HydrophobicContact CG-CB 3.63Å; F407-H647 AromaticContact CG-CD2 3.82Å; F407-H647 AromaticContact CG-CG 3.62Å; F407-H647 HydrophobicContact CZ-CB 4.45Å; F407-H647 AromaticContact CZ-CE1 3.9Å; F407-H647 AromaticContact CZ-CG 3.92Å; F407-H647 AromaticContact CZ-ND1 3.55Å; F407-F648 HydrophobicContact CB-CD2 4.31Å; F407-F648 HydrophobicContact CB-CE2 3.77Å
408	V	95	Very high	95.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	27%	0.27	C	S	.	.			trans	-112.9	128	168.7	-175.1	0	0	0	0	108.7	N362 D363 K364 L406 A433 V435	N362-V408 PolarHBondContact O-N 3Å; D363-V408 WeakPolarHBondContact O-CB 3.36Å; D363-V408 WeakPolarHBondContact O-CG2 3.35Å; K364-V408 HydrophobicContact CB-CB 4.02Å; K364-V408 HydrophobicContact CB-CG1 3.89Å; K364-V408 HydrophobicContact CG-CB 3.87Å; K364-V408 HydrophobicContact CG-CG1 4.11Å; K364-V408 WeakPolarHBondContact CG-O 3.24Å; L406-V408 HydrophobicContact CD2-CG2 4.17Å; L406-V408 HydrophobicContact CG-CG2 4.16Å; V408-A433 HydrophobicContact CG1-CB 3.58Å; V408-V435 HydrophobicContact CG1-CG1 4.2Å; V408-V435 HydrophobicContact CG2-CG1 3.71Å
409	P	94.5	Very high	95.4	Very high	25 Å²	25	54.1 Å²	54.1	16%	0.162	26%	0.262	C	S	.	.			trans	-58.7	152.2	174.1	-25.7	35.3	0	0	0	112.4	F407 W411	F407-P409 HydrophobicContact CE1-CG 4.17Å; P409-W411 PolarHBondContact O-N 3.37Å
410	N	96.3	Very high	95.4	Very high	93 Å²	93	52.9 Å²	52.9	50%	0.497	26%	0.255	S	S	.	.			trans	-60.8	139.5	170.1	-68.2	-41.6	0	0	0	109.7	K364	K364-N410 WeakPolarHBondContact CD-OD1 3.22Å; K364-N410 WeakPolarHBondContact CE-OD1 3.5Å; K364-N410 PolarHBondContact NZ-OD1 2.9Å
411	W	97.5	Very high	95.5	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	22%	0.223	C	C	.	.			trans	-142.4	1.1	179.3	63.9	-79.9	0	0	0	112.8	K364 V381 L382 P409 L425 D429 C430 A433 F454 L458	K364-W411 WeakPolarHBondContact O-CZ2 3.46Å; K364-W411 PolarHBondContact O-NE1 3.47Å; V381-W411 HydrophobicContact CG1-CH2 4.1Å; V381-W411 HydrophobicContact CG1-CZ2 4.28Å; L382-W411 HydrophobicContact CD1-CH2 4.49Å; P409-W411 PolarHBondContact O-N 3.37Å; W411-L425 HydrophobicContact CE3-CD2 3.81Å; W411-L425 HydrophobicContact CZ3-CD2 3.74Å; W411-D429 VanDerWaalsContact CA-O 3.29Å; W411-D429 WeakPolarHBondContact CA-O 3.28Å; W411-D429 WeakPolarHBondContact CB-O 3.32Å; W411-C430 WeakPolarHBondContact O-CA 3.38Å; W411-A433 HydrophobicContact CB-CB 3.74Å; W411-A433 HydrophobicContact CD2-CB 4.1Å; W411-A433 HydrophobicContact CG-CB 3.39Å; W411-F454 HydrophobicContact CD2-CB 4.12Å; W411-F454 HydrophobicContact CE3-CB 4.38Å; W411-F454 HydrophobicContact CH2-CB 3.85Å; W411-F454 HydrophobicContact CZ2-CB 3.55Å; W411-F454 HydrophobicContact CZ2-CD2 4.18Å; W411-F454 HydrophobicContact CZ2-CG 4.2Å; W411-F454 HydrophobicContact CZ3-CB 4.25Å; W411-F454 AromaticContact NE1-CD2 3.89Å; W411-L458 HydrophobicContact CH2-CB 4.46Å; W411-L458 HydrophobicContact CH2-CD2 3.71Å; W411-L458 HydrophobicContact CZ3-CB 4.34Å; W411-L458 HydrophobicContact CZ3-CD2 3.69Å
412	F	98.3	Very high	95.6	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.079	20%	0.202	C	C	.	.			trans	-148.4	159.7	175	67.8	-87.4	0	0	0	109.9	A360 K364 V367 V381 V414 I423 T424 L425	A360-F412 HydrophobicContact CB-CZ 4.22Å; K364-F412 HydrophobicContact CB-CE1 4.26Å; K364-F412 WeakPolarHBondContact O-CE1 3.28Å; V367-F412 HydrophobicContact CG2-CE2 4.14Å; V367-F412 HydrophobicContact CG2-CZ 4.04Å; V381-F412 HydrophobicContact CG1-CD1 4.41Å; V381-F412 HydrophobicContact CG1-CE1 4.43Å; V381-F412 HydrophobicContact CG1-CG 4.48Å; V381-F412 HydrophobicContact CG2-CE2 4.16Å; V381-F412 HydrophobicContact CG2-CZ 4.03Å; F412-V414 HydrophobicContact CD2-CG2 3.92Å; F412-V414 HydrophobicContact CE2-CG2 3.58Å; F412-I423 HydrophobicContact CB-CG2 3.75Å; F412-I423 HydrophobicContact CD2-CD1 4.07Å; F412-I423 HydrophobicContact CD2-CG2 3.89Å; F412-I423 HydrophobicContact CE2-CD1 4.14Å; F412-I423 HydrophobicContact CG-CG2 4.01Å; F412-T424 WeakPolarHBondContact CA-O 3.43Å; F412-L425 HydrophobicContact CB-CD2 3.77Å
413	T	98	Very high	95.7	Very high	69 Å²	69	39.6 Å²	39.6	42%	0.423	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.5	168.8	56.4	0	0	0	0	110.3	I423 T424	T413-I423 WeakPolarHBondContact O-CA 3.42Å; T413-T424 PolarHBondContact N-O 3.29Å; T413-T424 PolarHBondContact O-N 2.64Å; T413-T424 WeakPolarHBondContact OG1-CB 3.49Å; T413-T424 PolarHBondContact OG1-O 3.11Å
414	V	98.5	Very high	96	Very high	20 Å²	20	34.9 Å²	34.9	12%	0.121	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.8	-179.8	177.1	0	0	0	0	109.2	Y358 F412 L416 L421 Q422 I423	Y358-V414 HydrophobicContact CD1-CB 4.24Å; Y358-V414 HydrophobicContact CD1-CG1 3.75Å; Y358-V414 HydrophobicContact CD2-CB 3.99Å; Y358-V414 HydrophobicContact CD2-CG1 4Å; Y358-V414 HydrophobicContact CD2-CG2 3.9Å; Y358-V414 HydrophobicContact CE1-CB 3.91Å; Y358-V414 HydrophobicContact CE1-CG1 3.88Å; Y358-V414 HydrophobicContact CE2-CB 3.65Å; Y358-V414 HydrophobicContact CE2-CG1 4.13Å; Y358-V414 HydrophobicContact CE2-CG2 3.7Å; Y358-V414 HydrophobicContact CG-CB 4.28Å; Y358-V414 HydrophobicContact CG-CG1 3.81Å; F412-V414 HydrophobicContact CD2-CG2 3.92Å; F412-V414 HydrophobicContact CE2-CG2 3.58Å; V414-L416 HydrophobicContact CG1-CD2 3.96Å; V414-L416 HydrophobicContact CG1-CG 4.24Å; V414-L421 HydrophobicContact CG1-CD1 3.52Å; V414-Q422 WeakPolarHBondContact CA-O 3.49Å; V414-I423 HydrophobicContact CG2-CD1 3.89Å
415	D	96.9	Very high	96.5	Very high	51 Å²	51	27.2 Å²	27.2	27%	0.273	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.7	171.2	-173.3	166.2	0	0	0	109	K417 Q422	D415-K417 VanDerWaalsContact OD1-CD 3.29Å; D415-K417 WeakPolarHBondContact OD1-CD 3.33Å; D415-K417 WeakPolarHBondContact OD1-CE 3.35Å; D415-K417 IonicContact OD1-NZ 2.79Å; D415-K417 WeakPolarHBondContact OD2-CB 3.41Å; D415-K417 VanDerWaalsContact OD2-CG 3.25Å; D415-K417 WeakPolarHBondContact OD2-CG 3.44Å; D415-K417 PolarHBondContact OD2-N 2.65Å; D415-Q422 HydrophobicContact CB-CB 4.25Å; D415-Q422 PolarHBondContact N-O 3.32Å; D415-Q422 WeakPolarHBondContact O-CB 3.42Å; D415-Q422 PolarHBondContact O-N 3.3Å
416	L	98.1	Very high	96.8	Very high	31 Å²	31	24 Å²	24	16%	0.162	13%	0.126	C	C	.	.			trans	-119.2	10.7	179.7	-58.6	-177.6	0	0	0	113	I355 Y358 V414 T418 G419 L421	I355-L416 HydrophobicContact CB-CD2 4.28Å; I355-L416 HydrophobicContact CG2-CD1 3.91Å; I355-L416 HydrophobicContact CG2-CD2 3.67Å; I355-L416 HydrophobicContact CG2-CG 4.38Å; Y358-L416 HydrophobicContact CD1-CD1 3.76Å; Y358-L416 HydrophobicContact CD1-CG 4.2Å; V414-L416 HydrophobicContact CG1-CD2 3.96Å; V414-L416 HydrophobicContact CG1-CG 4.24Å; L416-T418 PolarHBondContact O-N 3.28Å; L416-T418 VanDerWaalsContact O-N 3.09Å; L416-G419 PolarHBondContact O-N 3.06Å; L416-L421 HydrophobicContact CD2-CD1 4.04Å
417	K	96.2	Very high	97	Very high	64 Å²	64	28 Å²	28	28%	0.278	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.6	-173.5	70.7	-177.6	172.7	176.8	0	114	D75 W76 D415	D75-K417 IonicContact OD1-NZ 2.69Å; D75-K417 IonicContact OD2-NZ 2.7Å; D75-K417 PolarHBondContact OD2-NZ 3.46Å; W76-K417 PolarHBondContact NE1-O 2.85Å; D415-K417 VanDerWaalsContact OD1-CD 3.29Å; D415-K417 WeakPolarHBondContact OD1-CD 3.33Å; D415-K417 WeakPolarHBondContact OD1-CE 3.35Å; D415-K417 IonicContact OD1-NZ 2.79Å; D415-K417 WeakPolarHBondContact OD2-CB 3.41Å; D415-K417 VanDerWaalsContact OD2-CG 3.25Å; D415-K417 WeakPolarHBondContact OD2-CG 3.44Å; D415-K417 PolarHBondContact OD2-N 2.65Å
418	T	96.5	Very high	97	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.8	179.3	57.8	0	0	0	0	112.9	R50 D51 L416	R50-T418 WeakPolarHBondContact O-CA 3.48Å; D51-T418 VanDerWaalsContact CA-O 3.29Å; D51-T418 WeakPolarHBondContact CA-O 3.39Å; D51-T418 VanDerWaalsContact CB-O 3.24Å; D51-T418 WeakPolarHBondContact CB-O 3.35Å; L416-T418 PolarHBondContact O-N 3.28Å; L416-T418 VanDerWaalsContact O-N 3.09Å
419	G	97.3	Very high	97	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	77.4	6.6	-170.3	0	0	0	0	0	114	S354 I355 L416	S354-G419 WeakPolarHBondContact OG-CA 3.42Å; I355-G419 PolarHBondContact N-O 2.98Å; L416-G419 PolarHBondContact O-N 3.06Å
420	M	97.6	Very high	97.1	Very high	8 Å²	8	33 Å²	33	4%	0.039	18%	0.176	C	C	.	.	S	Bend	trans	-116.4	161.7	174.2	-67.8	-177.9	-75.3	0	0	110.5	V20 R22 D51 I53 Q422	V20-M420 HydrophobicContact CG1-CB 3.73Å; V20-M420 HydrophobicContact CG1-CE 4.24Å; V20-M420 HydrophobicContact CG1-CG 4.49Å; V20-M420 HydrophobicContact CG1-SD 4.04Å; R22-M420 HydrophobicContact CB-SD 4.08Å; D51-M420 HydrophobicContact CB-CE 4.37Å; D51-M420 WeakPolarHBondContact O-CE 3.31Å; I53-M420 HydrophobicContact CD1-CE 4.48Å; M420-Q422 PolarHBondContact O-N 3.06Å
421	L	98.3	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	97.2	178.5	-177.8	62.1	0	0	0	109.7	I21 I355 V367 T369 W379 V414 L416 I423	I21-L421 HydrophobicContact CB-CB 4.4Å; I21-L421 HydrophobicContact CB-CD2 4.49Å; I21-L421 HydrophobicContact CD1-CD2 3.91Å; I21-L421 HydrophobicContact CD1-CG 4.34Å; I21-L421 PolarHBondContact N-O 3.01Å; I355-L421 HydrophobicContact CD1-CB 4.13Å; V367-L421 HydrophobicContact CG1-CD1 4.31Å; V367-L421 HydrophobicContact CG1-CD2 4.5Å; T369-L421 HydrophobicContact CG2-CD1 4.4Å; T369-L421 HydrophobicContact CG2-CD2 4.44Å; W379-L421 HydrophobicContact CB-CD2 3.63Å; W379-L421 HydrophobicContact CD2-CD2 3.94Å; W379-L421 HydrophobicContact CE3-CD2 4.38Å; W379-L421 HydrophobicContact CG-CD2 3.59Å; V414-L421 HydrophobicContact CG1-CD1 3.52Å; L416-L421 HydrophobicContact CD2-CD1 4.04Å; L421-I423 HydrophobicContact CD1-CD1 4.07Å; L421-I423 HydrophobicContact CG-CD1 4.08Å
422	Q	98.5	Very high	96.9	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.8	172.3	-178.3	176.5	-44.7	0	0	109.9	F19 V20 V414 D415 M420	F19-Q422 WeakPolarHBondContact O-CA 3.4Å; V20-Q422 HydrophobicContact CG2-CB 4.27Å; V20-Q422 HydrophobicContact CG2-CG 4.18Å; V414-Q422 WeakPolarHBondContact CA-O 3.49Å; D415-Q422 HydrophobicContact CB-CB 4.25Å; D415-Q422 PolarHBondContact N-O 3.32Å; D415-Q422 WeakPolarHBondContact O-CB 3.42Å; D415-Q422 PolarHBondContact O-N 3.3Å; M420-Q422 PolarHBondContact O-N 3.06Å
423	I	98.7	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.3	176.8	-54.9	-59.8	0	0	0	107.9	S18 F19 I21 V381 F412 T413 V414 L421	S18-I423 CarbonylContact C-O 3.59Å; S18-I423 WeakPolarHBondContact CA-O 3.38Å; F19-I423 HydrophobicContact CD1-CB 4.05Å; F19-I423 HydrophobicContact CD1-CG2 4.38Å; F19-I423 HydrophobicContact CE1-CB 3.45Å; F19-I423 VanDerWaalsContact CE1-CB 3.45Å; F19-I423 HydrophobicContact CE1-CG1 4.27Å; F19-I423 HydrophobicContact CE1-CG2 3.45Å; F19-I423 VanDerWaalsContact CE1-CG2 3.45Å; F19-I423 HydrophobicContact CE2-CB 4.05Å; F19-I423 HydrophobicContact CE2-CG1 4.03Å; F19-I423 HydrophobicContact CZ-CB 3.46Å; F19-I423 VanDerWaalsContact CZ-CB 3.46Å; F19-I423 HydrophobicContact CZ-CG1 3.75Å; F19-I423 HydrophobicContact CZ-CG2 3.63Å; F19-I423 PolarHBondContact N-O 2.88Å; F19-I423 PolarHBondContact O-N 2.82Å; I21-I423 HydrophobicContact CD1-CG1 3.99Å; I21-I423 HydrophobicContact CG1-CG1 4.44Å; V381-I423 HydrophobicContact CG1-CD1 4.27Å; V381-I423 HydrophobicContact CG1-CG1 4.06Å; V381-I423 HydrophobicContact CG1-CG2 3.84Å; V381-I423 HydrophobicContact CG2-CD1 3.92Å; V381-I423 HydrophobicContact CG2-CG1 4.39Å; F412-I423 HydrophobicContact CB-CG2 3.75Å; F412-I423 HydrophobicContact CD2-CD1 4.07Å; F412-I423 HydrophobicContact CD2-CG2 3.89Å; F412-I423 HydrophobicContact CE2-CD1 4.14Å; F412-I423 HydrophobicContact CG-CG2 4.01Å; T413-I423 WeakPolarHBondContact O-CA 3.42Å; V414-I423 HydrophobicContact CG2-CD1 3.89Å; L421-I423 HydrophobicContact CD1-CD1 4.07Å; L421-I423 HydrophobicContact CG-CD1 4.08Å
424	T	98.4	Very high	96.6	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.055	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.3	178.7	-57.5	0	0	0	0	110.8	Q16 S18 F412 T413	Q16-T424 HydrophobicContact CB-CG2 3.89Å; Q16-T424 HydrophobicContact CG-CG2 4.4Å; S18-T424 WeakPolarHBondContact OG-CB 3.23Å; S18-T424 VanDerWaalsContact OG-CG2 3.3Å; S18-T424 WeakPolarHBondContact OG-CG2 3.49Å; S18-T424 PolarHBondContact OG-OG1 2.84Å; F412-T424 WeakPolarHBondContact CA-O 3.43Å; T413-T424 PolarHBondContact N-O 3.29Å; T413-T424 PolarHBondContact O-N 2.64Å; T413-T424 WeakPolarHBondContact OG1-CB 3.49Å; T413-T424 PolarHBondContact OG1-O 3.11Å
425	L	98.4	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.4	176.5	-51.8	176.4	0	0	0	109.4	Q16 V17 W411 F412 C430 L458 L459 W533	Q16-L425 WeakPolarHBondContact CA-O 3.32Å; V17-L425 HydrophobicContact CB-CB 4.43Å; V17-L425 PolarHBondContact N-O 2.82Å; V17-L425 PolarHBondContact O-N 3.38Å; W411-L425 HydrophobicContact CE3-CD2 3.81Å; W411-L425 HydrophobicContact CZ3-CD2 3.74Å; F412-L425 HydrophobicContact CB-CD2 3.77Å; L425-C430 HydrophobicContact CB-CB 4.46Å; L425-L458 HydrophobicContact CD1-CD2 4.13Å; L425-L458 HydrophobicContact CD2-CD2 4.48Å; L425-L459 HydrophobicContact CD1-CD2 3.76Å; L425-L459 HydrophobicContact CD1-CG 4.2Å; L425-W533 HydrophobicContact CB-CH2 4.2Å
426	D	96.5	Very high	96	Very high	24 Å²	24	24.6 Å²	24.6	13%	0.128	13%	0.129	C	C	.	.			trans	-133.1	159.1	172.6	59.5	57.6	0	0	0	111.1	Q16 T428 D429 C430	Q16-D426 HydrophobicContact CG-CB 4.15Å; D426-T428 VanDerWaalsContact CG-OG1 3.3Å; D426-T428 PolarHBondContact O-N 3.34Å; D426-T428 PolarHBondContact OD1-N 3.37Å; D426-T428 VanDerWaalsContact OD1-N 3.15Å; D426-T428 PolarHBondContact OD1-OG1 2.77Å; D426-D429 PolarHBondContact O-N 2.89Å; D426-D429 PolarHBondContact OD1-N 3.43Å; D426-C430 WeakPolarHBondContact O-CB 3.25Å; D426-C430 PolarHBondContact O-N 2.99Å
427	E	94.7	Very high	95.6	Very high	109 Å²	109	23.1 Å²	23.1	51%	0.509	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.3	-177.9	-174	174.8	-165.3	0	0	113.2	W533	E427-W533 HydrophobicContact CB-CD2 4.1Å; E427-W533 HydrophobicContact CB-CG 3.92Å; E427-W533 HydrophobicContact CG-CB 3.88Å; E427-W533 HydrophobicContact CG-CD2 4.38Å; E427-W533 HydrophobicContact CG-CG 3.8Å
428	T	93.1	Very high	95.3	Very high	104 Å²	104	25.6 Å²	25.6	64%	0.638	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-42.4	-174.9	32.9	0	0	0	0	112.7	D426	D426-T428 VanDerWaalsContact CG-OG1 3.3Å; D426-T428 PolarHBondContact O-N 3.34Å; D426-T428 PolarHBondContact OD1-N 3.37Å; D426-T428 VanDerWaalsContact OD1-N 3.15Å; D426-T428 PolarHBondContact OD1-OG1 2.77Å
429	D	93.7	Very high	95	Very high	73 Å²	73	28.6 Å²	28.6	39%	0.39	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-17	-171.8	-70.2	-43.3	0	0	0	114.4	W411 D426 F431 S432	W411-D429 VanDerWaalsContact CA-O 3.29Å; W411-D429 WeakPolarHBondContact CA-O 3.28Å; W411-D429 WeakPolarHBondContact CB-O 3.32Å; D426-D429 PolarHBondContact O-N 2.89Å; D426-D429 PolarHBondContact OD1-N 3.43Å; D429-F431 PolarHBondContact O-N 3.32Å; D429-S432 VanDerWaalsContact O-CB 3.29Å; D429-S432 WeakPolarHBondContact O-CB 3.35Å; D429-S432 PolarHBondContact O-N 2.73Å; D429-S432 PolarHBondContact O-OG 2.81Å
430	C	97	Very high	94.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.2	-169.8	-177.5	0	0	0	0	114	W411 L425 D426 G455 W533	W411-C430 WeakPolarHBondContact O-CA 3.38Å; L425-C430 HydrophobicContact CB-CB 4.46Å; D426-C430 WeakPolarHBondContact O-CB 3.25Å; D426-C430 PolarHBondContact O-N 2.99Å; C430-G455 WeakPolarHBondContact O-CA 3.25Å; C430-W533 HydrophobicContact CB-CH2 4.49Å; C430-W533 HydrophobicContact CB-CZ3 3.96Å
431	F	96.4	Very high	94.4	Very high	31 Å²	31	31.1 Å²	31.1	14%	0.136	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9	-176.3	-52.6	-57	0	0	0	114.9	D429 A433 W434 N453 L459 W533 I537 P544	D429-F431 PolarHBondContact O-N 3.32Å; F431-A433 VanDerWaalsContact C-N 3.33Å; F431-A433 PolarHBondContact O-N 3.06Å; F431-W434 PolarHBondContact O-NE1 3.08Å; F431-N453 PolarHBondContact O-ND2 2.79Å; F431-L459 HydrophobicContact CE1-CD1 3.84Å; F431-L459 HydrophobicContact CZ-CD1 3.99Å; F431-W533 AromaticContact CE2-CE3 3.74Å; F431-W533 HydrophobicContact CE2-CE3 3.74Å; F431-W533 HydrophobicContact CE2-CZ3 4.41Å; F431-W533 AromaticContact CZ-CE3 3.57Å; F431-W533 HydrophobicContact CZ-CE3 3.57Å; F431-W533 HydrophobicContact CZ-CZ3 4.01Å; F431-I537 HydrophobicContact CD1-CD1 4.34Å; F431-I537 HydrophobicContact CE1-CD1 3.67Å; F431-I537 HydrophobicContact CE1-CG1 3.53Å; F431-I537 HydrophobicContact CE2-CG1 4.42Å; F431-I537 HydrophobicContact CZ-CD1 3.76Å; F431-I537 HydrophobicContact CZ-CG1 3.39Å; F431-P544 HydrophobicContact CB-CB 4.46Å; F431-P544 HydrophobicContact CB-CG 3.81Å; F431-P544 HydrophobicContact CD1-CG 4.27Å; F431-P544 HydrophobicContact CD2-CG 3.73Å; F431-P544 HydrophobicContact CE2-CG 4.36Å; F431-P544 HydrophobicContact CG-CG 3.66Å
432	S	94.1	Very high	94	Very high	25 Å²	25	32.3 Å²	32.3	18%	0.175	18%	0.179	C	C	.	.			trans	-72.5	-25.2	-179.3	-65	0	0	0	0	113.3	D429 W434	D429-S432 VanDerWaalsContact O-CB 3.29Å; D429-S432 WeakPolarHBondContact O-CB 3.35Å; D429-S432 PolarHBondContact O-N 2.73Å; D429-S432 PolarHBondContact O-OG 2.81Å; S432-W434 PolarHBondContact O-N 3.43Å; S432-W434 VanDerWaalsContact O-N 3.1Å
433	A	95.3	Very high	93.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.			trans	-87.9	72.1	-173.8	0	0	0	0	0	114	V408 W411 F431 N453 F454	V408-A433 HydrophobicContact CG1-CB 3.58Å; W411-A433 HydrophobicContact CB-CB 3.74Å; W411-A433 HydrophobicContact CD2-CB 4.1Å; W411-A433 HydrophobicContact CG-CB 3.39Å; F431-A433 VanDerWaalsContact C-N 3.33Å; F431-A433 PolarHBondContact O-N 3.06Å; A433-N453 WeakPolarHBondContact O-CA 3.23Å; A433-F454 HydrophobicContact CB-CB 4.18Å; A433-F454 HydrophobicContact CB-CD2 4.12Å; A433-F454 PolarHBondContact O-N 2.79Å
434	W	94.6	Very high	92.3	Very high	10 Å²	10	36 Å²	36	4%	0.038	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.3	164.1	-70.8	93	0	0	0	111.2	F431 S432 K451 L452 N453 M543 P544 Y546 M574 R643	F431-W434 PolarHBondContact O-NE1 3.08Å; S432-W434 PolarHBondContact O-N 3.43Å; S432-W434 VanDerWaalsContact O-N 3.1Å; W434-K451 HydrophobicContact CE3-CB 4.24Å; W434-K451 HydrophobicContact CZ3-CB 4.49Å; W434-L452 CarbonylContact C-O 3.51Å; W434-L452 VanDerWaalsContact CA-O 3.29Å; W434-L452 WeakPolarHBondContact CA-O 3.44Å; W434-N453 HydrophobicContact CD2-CB 4.05Å; W434-N453 VanDerWaalsContact CE2-ND2 3.33Å; W434-N453 HydrophobicContact CE3-CB 3.92Å; W434-N453 HydrophobicContact CH2-CB 3.98Å; W434-N453 HydrophobicContact CZ2-CB 4.05Å; W434-N453 HydrophobicContact CZ3-CB 3.9Å; W434-N453 PolarHBondContact NE1-ND2 3.31Å; W434-M543 HydrophobicContact CH2-CB 4.07Å; W434-M543 HydrophobicContact CH2-CG 4.28Å; W434-M543 HydrophobicContact CH2-SD 4.38Å; W434-M543 HydrophobicContact CZ2-CB 4.45Å; W434-P544 VanDerWaalsContact CZ2-O 3.25Å; W434-P544 WeakPolarHBondContact CZ2-O 3.29Å; W434-Y546 AromaticContact CD2-CD1 3.7Å; W434-Y546 HydrophobicContact CD2-CD1 3.7Å; W434-Y546 AromaticContact CD2-CE1 3.76Å; W434-Y546 HydrophobicContact CD2-CE1 3.76Å; W434-Y546 AromaticContact CE2-CD1 3.94Å; W434-Y546 AromaticContact CE3-CD1 3.89Å; W434-Y546 HydrophobicContact CE3-CD1 3.89Å; W434-Y546 AromaticContact CE3-CE1 3.42Å; W434-Y546 HydrophobicContact CE3-CE1 3.42Å; W434-Y546 VanDerWaalsContact CE3-CE1 3.42Å; W434-Y546 HydrophobicContact CG-CD1 4.13Å; W434-Y546 HydrophobicContact CH2-CD1 4.44Å; W434-Y546 AromaticContact CH2-CE1 3.9Å; W434-Y546 HydrophobicContact CH2-CE1 3.9Å; W434-Y546 HydrophobicContact CZ2-CD1 4.32Å; W434-Y546 HydrophobicContact CZ2-CE1 4.24Å; W434-Y546 HydrophobicContact CZ3-CD1 4.25Å; W434-Y546 AromaticContact CZ3-CE1 3.49Å; W434-Y546 HydrophobicContact CZ3-CE1 3.49Å; W434-Y546 VanDerWaalsContact CZ3-CE1 3.49Å; W434-M574 HydrophobicContact CB-CG 4.09Å; W434-M574 HydrophobicContact CB-SD 4.44Å; W434-R643 PolarHBondContact O-NH1 3.22Å
435	V	92.9	Very high	91.2	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.2	179.6	-67.1	0	0	0	0	110.5	V408 A440 K451 L452 F454	V408-V435 HydrophobicContact CG1-CG1 4.2Å; V408-V435 HydrophobicContact CG2-CG1 3.71Å; V435-A440 HydrophobicContact CG2-CB 3.84Å; V435-K451 CarbonylContact O-C 3.52Å; V435-K451 WeakPolarHBondContact O-CA 3.37Å; V435-L452 HydrophobicContact CG2-CB 4.3Å; V435-L452 PolarHBondContact N-O 2.82Å; V435-L452 PolarHBondContact O-N 2.78Å; V435-F454 HydrophobicContact CB-CZ 4.35Å; V435-F454 HydrophobicContact CG1-CD2 4.45Å; V435-F454 HydrophobicContact CG1-CE2 3.87Å; V435-F454 HydrophobicContact CG1-CZ 4.03Å; V435-F454 HydrophobicContact CG2-CD1 3.97Å; V435-F454 HydrophobicContact CG2-CE1 3.5Å; V435-F454 HydrophobicContact CG2-CE2 4.12Å; V435-F454 HydrophobicContact CG2-CG 4.48Å; V435-F454 HydrophobicContact CG2-CZ 3.59Å
436	S	90.2	Very high	90.1	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	155	167.2	74.9	0	0	0	0	110.5	R438 D439 A440 I450	S436-R438 PolarHBondContact O-N 2.96Å; S436-D439 PolarHBondContact O-N 2.97Å; S436-D439 WeakPolarHBondContact OG-CB 3.5Å; S436-D439 PolarHBondContact OG-N 2.8Å; S436-D439 PolarHBondContact OG-OD2 2.83Å; S436-A440 VanDerWaalsContact O-CB 3.24Å; S436-A440 WeakPolarHBondContact O-CB 3.38Å; S436-A440 PolarHBondContact O-N 3.34Å; S436-I450 CarbonylContact C-O 3.57Å; S436-I450 WeakPolarHBondContact CA-O 3.48Å
437	A	90.2	Very high	89.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.3	175.2	0	0	0	0	0	111.7	G441 L442 G443 N447 M448 I450 L452	A437-G441 PolarHBondContact O-N 2.87Å; A437-G441 VanDerWaalsContact O-N 3.11Å; A437-L442 PolarHBondContact O-N 2.87Å; A437-G443 PolarHBondContact O-N 3.16Å; A437-N447 VanDerWaalsContact CB-O 3.3Å; A437-N447 WeakPolarHBondContact CB-O 3.43Å; A437-M448 PolarHBondContact N-O 2.79Å; A437-I450 HydrophobicContact CB-CB 4.5Å; A437-I450 PolarHBondContact N-O 3.22Å; A437-L452 HydrophobicContact CB-CD1 3.87Å; A437-L452 HydrophobicContact CB-CG 4.25Å
438	R	88.7	Confident	88.7	Confident	117 Å²	117	44.7 Å²	44.7	44%	0.442	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-55.4	171.3	-174.3	-164.1	-48.2	-146.7	2.1	111.9	S436 A440 G441 M448 D449	S436-R438 PolarHBondContact O-N 2.96Å; R438-A440 VanDerWaalsContact C-N 3.28Å; R438-A440 PolarHBondContact O-N 2.98Å; R438-G441 PolarHBondContact O-N 3.22Å; R438-M448 HydrophobicContact CB-CB 4.24Å; R438-M448 VanDerWaalsContact CB-O 3.3Å; R438-M448 WeakPolarHBondContact CB-O 3.11Å; R438-M448 PolarHBondContact N-O 2.94Å; R438-D449 IonicContact CZ-OD1 3.3Å; R438-D449 IonicContact NE-OD1 2.81Å; R438-D449 IonicContact NH2-OD1 3.46Å; R438-D449 PolarHBondContact NH2-OD1 2.87Å; R438-D449 IonicContact NH2-OD2 3.24Å
439	D	89.5	Confident	88.1	Confident	64 Å²	64	44.4 Å²	44.4	34%	0.342	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.9	-178.4	-60	-42.1	0	0	0	111.6	L406 S436 G441	L406-D439 HydrophobicContact CD2-CB 4.26Å; S436-D439 PolarHBondContact O-N 2.97Å; S436-D439 WeakPolarHBondContact OG-CB 3.5Å; S436-D439 PolarHBondContact OG-N 2.8Å; S436-D439 PolarHBondContact OG-OD2 2.83Å; D439-G441 PolarHBondContact O-N 2.86Å
440	A	92.1	Very high	87.8	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	170.7	0	0	0	0	0	112.9	R365 V435 S436 R438 L442 L452 F454	R365-A440 PolarHBondContact NH1-O 3.36Å; V435-A440 HydrophobicContact CG2-CB 3.84Å; S436-A440 VanDerWaalsContact O-CB 3.24Å; S436-A440 WeakPolarHBondContact O-CB 3.38Å; S436-A440 PolarHBondContact O-N 3.34Å; R438-A440 VanDerWaalsContact C-N 3.28Å; R438-A440 PolarHBondContact O-N 2.98Å; A440-L442 HydrophobicContact CB-CB 4.25Å; A440-L442 HydrophobicContact CB-CD1 4.3Å; A440-L442 HydrophobicContact CB-CG 4.19Å; A440-L442 PolarHBondContact O-N 2.74Å; A440-L452 HydrophobicContact CB-CD1 4.17Å; A440-F454 HydrophobicContact CB-CE1 3.78Å; A440-F454 HydrophobicContact CB-CZ 4.17Å
441	G	90.5	Very high	87.5	Confident	59 Å²	59	47.4 Å²	47.4	61%	0.608	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	32.6	-171.3	0	0	0	0	0	112.9	A437 R438 D439	A437-G441 PolarHBondContact O-N 2.87Å; A437-G441 VanDerWaalsContact O-N 3.11Å; R438-G441 PolarHBondContact O-N 3.22Å; D439-G441 PolarHBondContact O-N 2.86Å
442	L	90.4	Very high	87.3	Confident	26 Å²	26	46.4 Å²	46.4	14%	0.136	27%	0.266	C	S	.	.			trans	-120.3	-5.6	177.4	-66	179.2	0	0	0	112.4	L382 A437 A440 L452 L457 Y490 F491	L382-L442 HydrophobicContact CD2-CD1 4.12Å; A437-L442 PolarHBondContact O-N 2.87Å; A440-L442 HydrophobicContact CB-CB 4.25Å; A440-L442 HydrophobicContact CB-CD1 4.3Å; A440-L442 HydrophobicContact CB-CG 4.19Å; A440-L442 PolarHBondContact O-N 2.74Å; L442-L452 HydrophobicContact CB-CD1 4.06Å; L442-L452 HydrophobicContact CD1-CD1 4.06Å; L442-L457 HydrophobicContact CD1-CD1 4.09Å; L442-Y490 HydrophobicContact CB-CD1 3.85Å; L442-Y490 HydrophobicContact CB-CE1 4.31Å; L442-Y490 HydrophobicContact CB-CG 4.45Å; L442-Y490 HydrophobicContact CD1-CD1 4.35Å; L442-Y490 HydrophobicContact CD1-CG 4.12Å; L442-F491 HydrophobicContact CD1-CD1 4.24Å; L442-F491 HydrophobicContact CD1-CE1 4.15Å; L442-F491 HydrophobicContact CD2-CD1 4.43Å
443	G	81.1	Confident	87.3	Confident	32 Å²	32	45.5 Å²	45.5	33%	0.33	26%	0.259	S	S	.	.			trans	-76.7	148.1	178.4	0	0	0	0	0	113.5	A437 N447	A437-G443 PolarHBondContact O-N 3.16Å; G443-N447 WeakPolarHBondContact CA-OD1 3.22Å
444	N	80.6	Confident	87.4	Confident	59 Å²	59	45.7 Å²	45.7	32%	0.316	26%	0.26	S	S	.	.			trans	-109.1	178.2	163.8	69.7	22	0	0	0	109.3	E446 N447 M448 G481	N444-E446 PolarHBondContact O-N 2.81Å; N444-E446 WeakPolarHBondContact OD1-CA 3.49Å; N444-E446 WeakPolarHBondContact OD1-CB 3.48Å; N444-E446 PolarHBondContact OD1-N 3.22Å; N444-N447 PolarHBondContact N-OD1 2.89Å; N444-N447 PolarHBondContact O-N 3.21Å; N444-N447 VanDerWaalsContact O-N 3.16Å; N444-N447 PolarHBondContact O-OD1 2.79Å; N444-N447 PolarHBondContact OD1-N 3Å; N444-N447 PolarHBondContact OD1-ND2 3.41Å; N444-N447 PolarHBondContact OD1-OD1 2.97Å; N444-M448 WeakPolarHBondContact O-CG 3.37Å; N444-M448 PolarHBondContact O-N 3.29Å; N444-G481 WeakPolarHBondContact ND2-CA 3.47Å
445	A	76	Confident	87.6	Confident	96 Å²	96	45.2 Å²	45.2	79%	0.793	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.2	-177.3	0	0	0	0	0	114.4
446	E	75.4	Confident	87.7	Confident	141 Å²	141	45 Å²	45	66%	0.659	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-23.2	-176.9	-60.3	-178.2	173.5	0	0	113.2	N444	N444-E446 PolarHBondContact O-N 2.81Å; N444-E446 WeakPolarHBondContact OD1-CA 3.49Å; N444-E446 WeakPolarHBondContact OD1-CB 3.48Å; N444-E446 PolarHBondContact OD1-N 3.22Å
447	N	78.9	Confident	88	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.027	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	17.1	-168	71.6	14.6	0	0	0	115.1	A437 G443 N444 D449 I450	A437-N447 VanDerWaalsContact CB-O 3.3Å; A437-N447 WeakPolarHBondContact CB-O 3.43Å; G443-N447 WeakPolarHBondContact CA-OD1 3.22Å; N444-N447 PolarHBondContact N-OD1 2.89Å; N444-N447 PolarHBondContact O-N 3.21Å; N444-N447 VanDerWaalsContact O-N 3.16Å; N444-N447 PolarHBondContact O-OD1 2.79Å; N444-N447 PolarHBondContact OD1-N 3Å; N444-N447 PolarHBondContact OD1-ND2 3.41Å; N444-N447 PolarHBondContact OD1-OD1 2.97Å; N447-D449 PolarHBondContact O-N 2.85Å; N447-I450 HydrophobicContact CB-CD1 3.53Å; N447-I450 HydrophobicContact CB-CG1 3.85Å; N447-I450 WeakPolarHBondContact O-CB 3.48Å; N447-I450 PolarHBondContact O-N 2.9Å
448	M	81.2	Confident	88.4	Confident	83 Å²	83	45.3 Å²	45.3	41%	0.409	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-32.5	-178.2	-68	-157.5	-72.4	0	0	114.5	A437 R438 N444	A437-M448 PolarHBondContact N-O 2.79Å; R438-M448 HydrophobicContact CB-CB 4.24Å; R438-M448 VanDerWaalsContact CB-O 3.3Å; R438-M448 WeakPolarHBondContact CB-O 3.11Å; R438-M448 PolarHBondContact N-O 2.94Å; N444-M448 WeakPolarHBondContact O-CG 3.37Å; N444-M448 PolarHBondContact O-N 3.29Å
449	D	81.3	Confident	88.9	Confident	99 Å²	99	39.8 Å²	39.8	53%	0.529	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	2.4	-175.6	-64.5	-33.3	0	0	0	114.2	R438 N447 K451	R438-D449 IonicContact CZ-OD1 3.3Å; R438-D449 IonicContact NE-OD1 2.81Å; R438-D449 IonicContact NH2-OD1 3.46Å; R438-D449 PolarHBondContact NH2-OD1 2.87Å; R438-D449 IonicContact NH2-OD2 3.24Å; N447-D449 PolarHBondContact O-N 2.85Å; D449-K451 PolarHBondContact O-N 2.88Å
450	I	87.7	Confident	89.2	Confident	72 Å²	72	37.7 Å²	37.7	37%	0.369	23%	0.226	S	C	.	.			trans	-62.9	136	173.7	-65	-167.6	0	0	0	109.4	S436 A437 N447 L452	S436-I450 CarbonylContact C-O 3.57Å; S436-I450 WeakPolarHBondContact CA-O 3.48Å; A437-I450 HydrophobicContact CB-CB 4.5Å; A437-I450 PolarHBondContact N-O 3.22Å; N447-I450 HydrophobicContact CB-CD1 3.53Å; N447-I450 HydrophobicContact CB-CG1 3.85Å; N447-I450 WeakPolarHBondContact O-CB 3.48Å; N447-I450 PolarHBondContact O-N 2.9Å; I450-L452 HydrophobicContact CG2-CD2 3.92Å
451	K	90.1	Very high	89.4	Confident	64 Å²	64	37.6 Å²	37.6	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.9	176.9	-64.5	-178.5	179.2	-178.8	0	110.4	W434 V435 D449 Y546 S572 M574	W434-K451 HydrophobicContact CE3-CB 4.24Å; W434-K451 HydrophobicContact CZ3-CB 4.49Å; V435-K451 CarbonylContact O-C 3.52Å; V435-K451 WeakPolarHBondContact O-CA 3.37Å; D449-K451 PolarHBondContact O-N 2.88Å; K451-Y546 HydrophobicContact CB-CE1 3.83Å; K451-Y546 HydrophobicContact CD-CD1 4.15Å; K451-Y546 HydrophobicContact CD-CE1 3.54Å; K451-Y546 HydrophobicContact CG-CE1 4.34Å; K451-S572 PolarHBondContact NZ-OG 3.03Å; K451-M574 HydrophobicContact CD-CB 4.48Å
452	L	92.3	Very high	89.8	Confident	10 Å²	10	34.8 Å²	34.8	5%	0.052	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	154.1	179.6	-55.2	-177.4	0	0	0	110.5	W434 V435 A437 A440 L442 I450 L457 Y490	W434-L452 CarbonylContact C-O 3.51Å; W434-L452 VanDerWaalsContact CA-O 3.29Å; W434-L452 WeakPolarHBondContact CA-O 3.44Å; V435-L452 HydrophobicContact CG2-CB 4.3Å; V435-L452 PolarHBondContact N-O 2.82Å; V435-L452 PolarHBondContact O-N 2.78Å; A437-L452 HydrophobicContact CB-CD1 3.87Å; A437-L452 HydrophobicContact CB-CG 4.25Å; A440-L452 HydrophobicContact CB-CD1 4.17Å; L442-L452 HydrophobicContact CB-CD1 4.06Å; L442-L452 HydrophobicContact CD1-CD1 4.06Å; I450-L452 HydrophobicContact CG2-CD2 3.92Å; L452-L457 HydrophobicContact CB-CD1 3.99Å; L452-L457 HydrophobicContact CD1-CD1 4.14Å; L452-L457 HydrophobicContact CG-CD1 4.49Å; L452-Y490 HydrophobicContact CD1-CE1 4.31Å; L452-Y490 HydrophobicContact CD1-CE2 4.29Å; L452-Y490 HydrophobicContact CD2-CE2 3.78Å; L452-Y490 WeakPolarHBondContact CD2-OH 3.37Å
453	N	95.2	Very high	90.1	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.2	173.8	-172.1	-82.9	0	0	0	110	F431 A433 W434 G455 G456 L457 M543	F431-N453 PolarHBondContact O-ND2 2.79Å; A433-N453 WeakPolarHBondContact O-CA 3.23Å; W434-N453 HydrophobicContact CD2-CB 4.05Å; W434-N453 VanDerWaalsContact CE2-ND2 3.33Å; W434-N453 HydrophobicContact CE3-CB 3.92Å; W434-N453 HydrophobicContact CH2-CB 3.98Å; W434-N453 HydrophobicContact CZ2-CB 4.05Å; W434-N453 HydrophobicContact CZ3-CB 3.9Å; W434-N453 PolarHBondContact NE1-ND2 3.31Å; N453-G455 PolarHBondContact OD1-N 2.85Å; N453-G456 PolarHBondContact O-N 3.33Å; N453-G456 PolarHBondContact OD1-N 2.89Å; N453-L457 VanDerWaalsContact O-CG 3.32Å; N453-L457 WeakPolarHBondContact O-CG 3.42Å; N453-L457 PolarHBondContact O-N 3.33Å; N453-M543 HydrophobicContact CB-SD 3.95Å
454	F	96.9	Very high	90.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-45.7	-175.2	-73.2	-28	0	0	0	113.7	D363 R365 L382 W411 A433 V435 A440 G456 L457 L458	D363-F454 WeakPolarHBondContact O-CE2 3.2Å; R365-F454 HydrophobicContact CB-CE2 4.03Å; R365-F454 HydrophobicContact CB-CZ 4.19Å; L382-F454 HydrophobicContact CD1-CB 4.21Å; L382-F454 HydrophobicContact CD1-CD1 4.14Å; L382-F454 HydrophobicContact CD1-CG 4.46Å; L382-F454 WeakPolarHBondContact CD1-O 3.31Å; L382-F454 HydrophobicContact CD2-CD1 3.62Å; L382-F454 HydrophobicContact CD2-CE1 3.73Å; L382-F454 HydrophobicContact CG-CD1 4.5Å; W411-F454 HydrophobicContact CD2-CB 4.12Å; W411-F454 HydrophobicContact CE3-CB 4.38Å; W411-F454 HydrophobicContact CH2-CB 3.85Å; W411-F454 HydrophobicContact CZ2-CB 3.55Å; W411-F454 HydrophobicContact CZ2-CD2 4.18Å; W411-F454 HydrophobicContact CZ2-CG 4.2Å; W411-F454 HydrophobicContact CZ3-CB 4.25Å; W411-F454 AromaticContact NE1-CD2 3.89Å; A433-F454 HydrophobicContact CB-CB 4.18Å; A433-F454 HydrophobicContact CB-CD2 4.12Å; A433-F454 PolarHBondContact O-N 2.79Å; V435-F454 HydrophobicContact CB-CZ 4.35Å; V435-F454 HydrophobicContact CG1-CD2 4.45Å; V435-F454 HydrophobicContact CG1-CE2 3.87Å; V435-F454 HydrophobicContact CG1-CZ 4.03Å; V435-F454 HydrophobicContact CG2-CD1 3.97Å; V435-F454 HydrophobicContact CG2-CE1 3.5Å; V435-F454 HydrophobicContact CG2-CE2 4.12Å; V435-F454 HydrophobicContact CG2-CG 4.48Å; V435-F454 HydrophobicContact CG2-CZ 3.59Å; A440-F454 HydrophobicContact CB-CE1 3.78Å; A440-F454 HydrophobicContact CB-CZ 4.17Å; F454-G456 VanDerWaalsContact C-N 3.3Å; F454-G456 PolarHBondContact O-N 2.96Å; F454-L457 PolarHBondContact O-N 2.92Å; F454-L458 VanDerWaalsContact O-CB 3.3Å; F454-L458 WeakPolarHBondContact O-CB 3.5Å; F454-L458 PolarHBondContact O-N 2.81Å
455	G	97.7	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-43.7	176.5	0	0	0	0	0	111.9	C430 N453 L458 L459	C430-G455 WeakPolarHBondContact O-CA 3.25Å; N453-G455 PolarHBondContact OD1-N 2.85Å; G455-L458 PolarHBondContact O-N 2.97Å; G455-L459 VanDerWaalsContact O-CG 3.27Å; G455-L459 WeakPolarHBondContact O-CG 3.4Å; G455-L459 PolarHBondContact O-N 3.03Å
456	G	96.9	Very high	92.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.5	-52.6	175.9	0	0	0	0	0	114.1	N453 F454 L458 Q460 M543	N453-G456 PolarHBondContact O-N 3.33Å; N453-G456 PolarHBondContact OD1-N 2.89Å; F454-G456 VanDerWaalsContact C-N 3.3Å; F454-G456 PolarHBondContact O-N 2.96Å; G456-L458 VanDerWaalsContact C-N 3.33Å; G456-L458 PolarHBondContact O-N 2.86Å; G456-Q460 WeakPolarHBondContact O-CG 3.17Å; G456-Q460 PolarHBondContact O-N 2.75Å; G456-M543 VanDerWaalsContact CA-CE 3.48Å
457	L	96	Very high	93.1	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.068	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-40	178.9	-67.3	179.9	0	0	0	112	L382 L442 L452 N453 F454 Q460 A461 N488 Y490 F491	L382-L457 HydrophobicContact CD1-CB 4.39Å; L442-L457 HydrophobicContact CD1-CD1 4.09Å; L452-L457 HydrophobicContact CB-CD1 3.99Å; L452-L457 HydrophobicContact CD1-CD1 4.14Å; L452-L457 HydrophobicContact CG-CD1 4.49Å; N453-L457 VanDerWaalsContact O-CG 3.32Å; N453-L457 WeakPolarHBondContact O-CG 3.42Å; N453-L457 PolarHBondContact O-N 3.33Å; F454-L457 PolarHBondContact O-N 2.92Å; L457-Q460 PolarHBondContact O-N 3.25Å; L457-A461 PolarHBondContact O-N 3.05Å; L457-A461 VanDerWaalsContact O-N 3.09Å; L457-N488 HydrophobicContact CB-CB 4.49Å; L457-N488 HydrophobicContact CD2-CB 3.79Å; L457-N488 PolarHBondContact O-ND2 3.11Å; L457-Y490 HydrophobicContact CD1-CD2 4.15Å; L457-Y490 HydrophobicContact CD2-CD2 3.76Å; L457-Y490 HydrophobicContact CD2-CE2 3.99Å; L457-F491 HydrophobicContact CB-CE1 4.02Å; L457-F491 HydrophobicContact CB-CZ 3.86Å; L457-F491 HydrophobicContact CD1-CE1 4.28Å
458	L	98.2	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-46.2	-179.9	-179	56.7	0	0	0	112	F19 L382 W411 L425 F454 G455 G456 Q460 A461 L462 V493	F19-L458 HydrophobicContact CE1-CD2 3.58Å; F19-L458 HydrophobicContact CE1-CG 4.38Å; F19-L458 HydrophobicContact CZ-CD1 4.25Å; F19-L458 HydrophobicContact CZ-CD2 3.68Å; F19-L458 HydrophobicContact CZ-CG 4.5Å; L382-L458 HydrophobicContact CD1-CB 4.04Å; L382-L458 WeakPolarHBondContact O-CD1 3.3Å; W411-L458 HydrophobicContact CH2-CB 4.46Å; W411-L458 HydrophobicContact CH2-CD2 3.71Å; W411-L458 HydrophobicContact CZ3-CB 4.34Å; W411-L458 HydrophobicContact CZ3-CD2 3.69Å; L425-L458 HydrophobicContact CD1-CD2 4.13Å; L425-L458 HydrophobicContact CD2-CD2 4.48Å; F454-L458 VanDerWaalsContact O-CB 3.3Å; F454-L458 WeakPolarHBondContact O-CB 3.5Å; F454-L458 PolarHBondContact O-N 2.81Å; G455-L458 PolarHBondContact O-N 2.97Å; G456-L458 VanDerWaalsContact C-N 3.33Å; G456-L458 PolarHBondContact O-N 2.86Å; L458-Q460 VanDerWaalsContact C-N 3.26Å; L458-Q460 PolarHBondContact O-N 2.84Å; L458-A461 PolarHBondContact O-N 2.83Å; L458-A461 VanDerWaalsContact O-N 3.11Å; L458-L462 HydrophobicContact CD1-CD1 4.13Å; L458-L462 HydrophobicContact CD1-CD2 4.48Å; L458-L462 HydrophobicContact CD1-CG 4Å; L458-L462 HydrophobicContact CG-CD1 3.86Å; L458-L462 HydrophobicContact CG-CG 4.22Å; L458-L462 WeakPolarHBondContact O-CG 3.49Å; L458-L462 PolarHBondContact O-N 3.12Å; L458-V493 HydrophobicContact CD1-CG1 4.15Å
459	L	98.2	Very high	93.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-41	177.2	-70.4	169.2	0	0	0	111.7	V17 L425 F431 G455 A461 L462 L463 W533 V534 I537 V538	V17-L459 HydrophobicContact CG1-CD2 4.38Å; L425-L459 HydrophobicContact CD1-CD2 3.76Å; L425-L459 HydrophobicContact CD1-CG 4.2Å; F431-L459 HydrophobicContact CE1-CD1 3.84Å; F431-L459 HydrophobicContact CZ-CD1 3.99Å; G455-L459 VanDerWaalsContact O-CG 3.27Å; G455-L459 WeakPolarHBondContact O-CG 3.4Å; G455-L459 PolarHBondContact O-N 3.03Å; L459-A461 VanDerWaalsContact C-N 3.34Å; L459-A461 PolarHBondContact O-N 3.37Å; L459-L462 PolarHBondContact O-N 2.82Å; L459-L463 PolarHBondContact O-N 3.39Å; L459-L463 VanDerWaalsContact O-N 3.17Å; L459-W533 HydrophobicContact CD1-CE3 4.25Å; L459-W533 HydrophobicContact CD1-CZ3 3.66Å; L459-W533 HydrophobicContact CD2-CH2 4.37Å; L459-W533 HydrophobicContact CD2-CZ3 4.3Å; L459-V534 HydrophobicContact CD1-CG2 4.36Å; L459-V534 HydrophobicContact CD2-CG1 4.27Å; L459-V534 HydrophobicContact CD2-CG2 4.06Å; L459-I537 HydrophobicContact CB-CG2 4.27Å; L459-I537 HydrophobicContact CD1-CB 4.44Å; L459-I537 HydrophobicContact CD1-CG1 4.42Å; L459-I537 HydrophobicContact CD1-CG2 4.3Å; L459-V538 HydrophobicContact CB-CG1 3.86Å; L459-V538 WeakPolarHBondContact O-CG1 3.36Å
460	Q	96.2	Very high	93.2	Very high	20 Å²	20	26.1 Å²	26.1	9%	0.093	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-39.2	176.1	-73.1	175.4	-10.4	0	0	112.1	G456 L457 L458 E464 N488 I537 V538	G456-Q460 WeakPolarHBondContact O-CG 3.17Å; G456-Q460 PolarHBondContact O-N 2.75Å; L457-Q460 PolarHBondContact O-N 3.25Å; L458-Q460 VanDerWaalsContact C-N 3.26Å; L458-Q460 PolarHBondContact O-N 2.84Å; Q460-E464 WeakPolarHBondContact O-CA 3.47Å; Q460-E464 PolarHBondContact O-N 3.41Å; Q460-E464 VanDerWaalsContact O-N 3.13Å; Q460-N488 HydrophobicContact CB-CB 3.77Å; Q460-I537 HydrophobicContact CG-CG2 4.07Å; Q460-I537 PolarHBondContact NE2-O 3.36Å; Q460-V538 HydrophobicContact CG-CG1 4.31Å
461	A	96.9	Very high	92	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.9	-43.1	176	0	0	0	0	0	112.5	L457 L458 L459 L463 E464 F491 V493	L457-A461 PolarHBondContact O-N 3.05Å; L457-A461 VanDerWaalsContact O-N 3.09Å; L458-A461 PolarHBondContact O-N 2.83Å; L458-A461 VanDerWaalsContact O-N 3.11Å; L459-A461 VanDerWaalsContact C-N 3.34Å; L459-A461 PolarHBondContact O-N 3.37Å; A461-L463 PolarHBondContact O-N 3.07Å; A461-E464 WeakPolarHBondContact O-CG 3.44Å; A461-E464 PolarHBondContact O-N 2.94Å; A461-F491 HydrophobicContact CB-CD2 4.02Å; A461-F491 HydrophobicContact CB-CE2 3.59Å; A461-F491 HydrophobicContact CB-CZ 4.49Å; A461-V493 HydrophobicContact CB-CG1 3.96Å
462	L	98.3	Very high	90.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-30.9	179	-71.9	169.4	0	0	0	112.7	F19 L458 L459 V493 T497 L499 C514	F19-L462 HydrophobicContact CB-CD2 4.04Å; F19-L462 HydrophobicContact CD1-CD1 3.87Å; F19-L462 HydrophobicContact CD1-CD2 4.21Å; F19-L462 HydrophobicContact CD2-CD2 4.33Å; F19-L462 HydrophobicContact CE1-CD1 4.26Å; F19-L462 HydrophobicContact CG-CD1 4.42Å; F19-L462 HydrophobicContact CG-CD2 3.93Å; L458-L462 HydrophobicContact CD1-CD1 4.13Å; L458-L462 HydrophobicContact CD1-CD2 4.48Å; L458-L462 HydrophobicContact CD1-CG 4Å; L458-L462 HydrophobicContact CG-CD1 3.86Å; L458-L462 HydrophobicContact CG-CG 4.22Å; L458-L462 WeakPolarHBondContact O-CG 3.49Å; L458-L462 PolarHBondContact O-N 3.12Å; L459-L462 PolarHBondContact O-N 2.82Å; L462-V493 HydrophobicContact CD2-CG1 4.38Å; L462-V493 HydrophobicContact CD2-CG2 4.26Å; L462-T497 HydrophobicContact CD2-CG2 4.4Å; L462-L499 HydrophobicContact CB-CD1 4.34Å; L462-L499 HydrophobicContact CB-CD2 4.45Å; L462-L499 HydrophobicContact CD1-CD1 4.17Å; L462-L499 HydrophobicContact CD2-CD1 4.38Å; L462-C514 PolarHBondContact O-SG 3.25Å
463	L	97.3	Very high	88.5	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	18.7	-178.4	-70.5	168.7	0	0	0	113.2	L459 A461 H465 W466 T469 L499 F501 L526 V534 V538	L459-L463 PolarHBondContact O-N 3.39Å; L459-L463 VanDerWaalsContact O-N 3.17Å; A461-L463 PolarHBondContact O-N 3.07Å; L463-H465 PolarHBondContact O-N 3.28Å; L463-W466 HydrophobicContact CB-CB 4.45Å; L463-W466 HydrophobicContact CD2-CB 4.39Å; L463-W466 WeakPolarHBondContact O-CB 3.49Å; L463-W466 PolarHBondContact O-N 2.77Å; L463-T469 HydrophobicContact CB-CG2 4.32Å; L463-T469 VanDerWaalsContact O-CG2 3.29Å; L463-T469 WeakPolarHBondContact O-CG2 3.41Å; L463-T469 PolarHBondContact O-OG1 3.13Å; L463-L499 HydrophobicContact CD2-CD2 3.76Å; L463-L499 HydrophobicContact CG-CD2 4.23Å; L463-F501 HydrophobicContact CD2-CZ 4.39Å; L463-L526 HydrophobicContact CD2-CD1 4.38Å; L463-L526 HydrophobicContact CD2-CD2 4.14Å; L463-V534 HydrophobicContact CD1-CG1 3.64Å; L463-V538 HydrophobicContact CB-CG1 4.44Å; L463-V538 HydrophobicContact CD1-CG1 4.13Å; L463-V538 HydrophobicContact CD1-CG2 4.08Å
464	E	94.7	Very high	86.5	Confident	27 Å²	27	35.7 Å²	35.7	13%	0.126	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.3	-175.8	73.1	-179.8	-172.9	0	0	113.6	Q460 A461 A487 S492	Q460-E464 WeakPolarHBondContact O-CA 3.47Å; Q460-E464 PolarHBondContact O-N 3.41Å; Q460-E464 VanDerWaalsContact O-N 3.13Å; A461-E464 WeakPolarHBondContact O-CG 3.44Å; A461-E464 PolarHBondContact O-N 2.94Å; E464-A487 HydrophobicContact CB-CB 3.64Å; E464-S492 WeakPolarHBondContact OE1-CB 3.16Å; E464-S492 WeakPolarHBondContact OE2-CB 3.23Å
465	H	94.5	Very high	84.3	Confident	58 Å²	58	43.2 Å²	43.2	27%	0.269	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.5	177.7	-62.4	-70	0	0	0	113.3	L463 P467 C514 A517 A518	L463-H465 PolarHBondContact O-N 3.28Å; H465-P467 WeakPolarHBondContact O-CD 3.35Å; H465-C514 WeakPolarHBondContact CB-O 3.36Å; H465-C514 PolarHBondContact CD2-O 2.77Å; H465-A517 HydrophobicContact CB-CB 4.15Å; H465-A518 WeakPolarHBondContact O-CB 3.46Å
466	W	95.2	Very high	82.1	Confident	1 Å²	1	46 Å²	46	0%	0.004	23%	0.225	C	C	.	.	S	Bend	trans	-73.6	121.3	-179.8	-175.9	39	0	0	0	110.7	L463 R468 T469 A517 N523 L526 V530 L535 V538 V539	L463-W466 HydrophobicContact CB-CB 4.45Å; L463-W466 HydrophobicContact CD2-CB 4.39Å; L463-W466 WeakPolarHBondContact O-CB 3.49Å; L463-W466 PolarHBondContact O-N 2.77Å; W466-R468 HydrophobicContact CD2-CB 4.09Å; W466-R468 HydrophobicContact CE3-CB 4.19Å; W466-R468 HydrophobicContact CH2-CB 4.24Å; W466-R468 HydrophobicContact CH2-CG 4.49Å; W466-R468 HydrophobicContact CZ2-CB 4.12Å; W466-R468 VanDerWaalsContact CZ2-CD 3.49Å; W466-R468 HydrophobicContact CZ2-CG 4.08Å; W466-R468 HydrophobicContact CZ3-CB 4.26Å; W466-R468 PolarHBondContact O-N 2.98Å; W466-T469 HydrophobicContact CB-CG2 4.34Å; W466-T469 HydrophobicContact CE3-CG2 4.04Å; W466-T469 PolarHBondContact O-N 3.29Å; W466-T469 PolarHBondContact O-OG1 3.42Å; W466-A517 HydrophobicContact CB-CB 4.1Å; W466-N523 PolarHBondContact NE1-OD1 3.34Å; W466-L526 HydrophobicContact CB-CD1 4.23Å; W466-L526 HydrophobicContact CD2-CB 4.46Å; W466-L526 HydrophobicContact CD2-CD1 4.3Å; W466-L526 HydrophobicContact CG-CD1 3.79Å; W466-L526 HydrophobicContact CZ2-CB 4.12Å; W466-V530 HydrophobicContact CH2-CB 4.43Å; W466-V530 HydrophobicContact CH2-CG2 4.38Å; W466-V530 HydrophobicContact CZ3-CG1 4.33Å; W466-V530 HydrophobicContact CZ3-CG2 4.4Å; W466-L535 HydrophobicContact CH2-CD2 3.56Å; W466-L535 HydrophobicContact CZ3-CD2 3.75Å; W466-V538 HydrophobicContact CE3-CG2 4.4Å; W466-V538 HydrophobicContact CZ3-CG2 4.17Å; W466-V539 HydrophobicContact CZ3-CG2 3.99Å
467	P	90.6	Very high	79.9	Confident	51 Å²	51	53.5 Å²	53.5	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-55.1	-30.5	-168.8	-31	37.4	0	0	0	115.8	H465 T469 K470	H465-P467 WeakPolarHBondContact O-CD 3.35Å; P467-T469 PolarHBondContact O-N 3.4Å; P467-K470 PolarHBondContact O-N 3.28Å
468	R	86	Confident	77.7	Confident	98 Å²	98	61.7 Å²	61.7	37%	0.37	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-22.1	177	-78.6	-170.2	132.3	-177.5	-2.7	114.2	W466 H527 V539	W466-R468 HydrophobicContact CD2-CB 4.09Å; W466-R468 HydrophobicContact CE3-CB 4.19Å; W466-R468 HydrophobicContact CH2-CB 4.24Å; W466-R468 HydrophobicContact CH2-CG 4.49Å; W466-R468 HydrophobicContact CZ2-CB 4.12Å; W466-R468 VanDerWaalsContact CZ2-CD 3.49Å; W466-R468 HydrophobicContact CZ2-CG 4.08Å; W466-R468 HydrophobicContact CZ3-CB 4.26Å; W466-R468 PolarHBondContact O-N 2.98Å; R468-H527 PolarHBondContact NH1-CD2 3.19Å; R468-H527 VanDerWaalsContact NH1-CD2 3.27Å; R468-H527 PolarHBondContact NH1-NE2 3.43Å; R468-H527 PolarHBondContact NH2-NE2 3.02Å; R468-V539 HydrophobicContact CB-CG2 4.06Å
469	T	82.9	Confident	75.7	Confident	1 Å²	1	67 Å²	67	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-80.1	-22.6	-179.9	65.2	0	0	0	0	112.7	L463 W466 P467 V538	L463-T469 HydrophobicContact CB-CG2 4.32Å; L463-T469 VanDerWaalsContact O-CG2 3.29Å; L463-T469 WeakPolarHBondContact O-CG2 3.41Å; L463-T469 PolarHBondContact O-OG1 3.13Å; W466-T469 HydrophobicContact CB-CG2 4.34Å; W466-T469 HydrophobicContact CE3-CG2 4.04Å; W466-T469 PolarHBondContact O-N 3.29Å; W466-T469 PolarHBondContact O-OG1 3.42Å; P467-T469 PolarHBondContact O-N 3.4Å; T469-V538 HydrophobicContact CG2-CB 3.91Å; T469-V538 HydrophobicContact CG2-CG2 4.12Å
470	K	75.4	Confident	73.7	Confident	121 Å²	121	70.6 Å²	70.6	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-79.6	-36.1	-177.9	-64.7	-173.6	178.1	-177.9	0	113.7	P467 V472 Q473	P467-K470 PolarHBondContact O-N 3.28Å; K470-V472 PolarHBondContact O-N 3.33Å; K470-V472 VanDerWaalsContact O-N 3.08Å; K470-Q473 WeakPolarHBondContact O-CB 3.48Å; K470-Q473 PolarHBondContact O-N 3.38Å
471	V	61.8	Low	72.2	Confident	115 Å²	115	71.6 Å²	71.6	70%	0.697	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.1	-176.8	-179.7	0	0	0	0	112.5
472	V	56.7	Low	70.9	Confident	35 Å²	35	74.6 Å²	74.6	21%	0.212	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.6	-178.7	-174.3	0	0	0	0	112.5	K470 E474 Q475 V539 K541	K470-V472 PolarHBondContact O-N 3.33Å; K470-V472 VanDerWaalsContact O-N 3.08Å; V472-E474 VanDerWaalsContact C-N 3.27Å; V472-E474 PolarHBondContact O-N 2.94Å; V472-Q475 PolarHBondContact O-N 3.01Å; V472-V539 WeakPolarHBondContact CG1-O 3.14Å; V472-V539 HydrophobicContact CG2-CG1 4.35Å; V472-V539 WeakPolarHBondContact CG2-O 3.48Å; V472-K541 HydrophobicContact CG1-CG 3.77Å
473	Q	53.6	Low	70	Confident	38 Å²	38	76.5 Å²	76.5	18%	0.178	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-69.7	-22.5	-174.8	-166.1	164	3	0	0	113.3	K470 Q475 L476 S484 Y486	K470-Q473 WeakPolarHBondContact O-CB 3.48Å; K470-Q473 PolarHBondContact O-N 3.38Å; Q473-Q475 PolarHBondContact O-N 3.45Å; Q473-L476 PolarHBondContact O-N 3.22Å; Q473-S484 PolarHBondContact NE2-O 3.48Å; Q473-Y486 PolarHBondContact NE2-O 2.92Å; Q473-Y486 VanDerWaalsContact NE2-O 3.09Å
474	E	51.9	Low	69.1	Low	163 Å²	163	80.2 Å²	80.2	76%	0.762	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-60.9	-16.1	177.5	-66.5	-177.8	169.6	0	0	113.6	V472	V472-E474 VanDerWaalsContact C-N 3.27Å; V472-E474 PolarHBondContact O-N 2.94Å
475	Q	50.5	Low	68.6	Low	163 Å²	163	87.9 Å²	87.9	76%	0.762	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-90.4	-11.9	-179	-64.7	-179.4	-5.8	0	0	114.8	V472 Q473 H477	V472-Q475 PolarHBondContact O-N 3.01Å; Q473-Q475 PolarHBondContact O-N 3.45Å; Q475-H477 PolarHBondContact O-N 3.09Å
476	L	52.7	Low	68.2	Low	59 Å²	59	88 Å²	88	31%	0.309	44%	0.442	S	S	.	.			trans	-92.2	10.9	-172.8	-79.5	162.2	0	0	0	114.5	Q473 E478	Q473-L476 PolarHBondContact O-N 3.22Å; L476-E478 PolarHBondContact O-N 3.25Å
477	H	50	Low	67.8	Low	157 Å²	157	88.1 Å²	88.1	73%	0.727	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-0.5	-176.1	-88.3	-124.2	0	0	0	115.4	Q475	Q475-H477 PolarHBondContact O-N 3.09Å
478	E	50.8	Low	67.8	Low	184 Å²	184	85.7 Å²	85.7	86%	0.86	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.4	-170.1	-63.8	-172.3	168.1	0	0	115.9	L476	L476-E478 PolarHBondContact O-N 3.25Å
479	L	54.8	Low	67.9	Low	111 Å²	111	81.2 Å²	81.2	58%	0.581	41%	0.412	S	S	*	.	S	Bend	trans	-103	124.1	178.6	-67.7	169.2	0	0	0	112
480	S	57.2	Low	68.2	Low	78 Å²	78	82.8 Å²	82.8	55%	0.545	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	138.7	-179.1	61.2	0	0	0	0	112.6
481	G	64.2	Low	69.1	Low	40 Å²	40	77.3 Å²	77.3	41%	0.412	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	6.6	176.9	0	0	0	0	0	116.6	N444	N444-G481 WeakPolarHBondContact ND2-CA 3.47Å
482	F	70.4	Confident	70.7	Confident	63 Å²	63	74 Å²	74	28%	0.276	38%	0.377	S	S	.	.			trans	-84.4	129.6	177.9	-142.7	-108.8	0	0	0	111.1	S484 N488 G489 Y490	F482-S484 PolarHBondContact O-N 2.68Å; F482-N488 WeakPolarHBondContact CE2-O 3.46Å; F482-N488 WeakPolarHBondContact CZ-O 3.18Å; F482-G489 VanDerWaalsContact CD1-CA 3.43Å; F482-G489 VanDerWaalsContact CZ-CA 3.46Å; F482-Y490 HydrophobicContact CD2-CE2 4.44Å; F482-Y490 AromaticContact CE2-CE2 3.83Å; F482-Y490 HydrophobicContact CE2-CE2 3.83Å
483	D	78.3	Confident	72.7	Confident	41 Å²	41	72.6 Å²	72.6	22%	0.219	37%	0.368	C	S	.	.			trans	-87.7	102.9	174.3	-172.4	-13.4	0	0	0	110.3	R485 Y486 G489	D483-R485 PolarHBondContact O-N 3.03Å; D483-R485 WeakPolarHBondContact OD1-CB 3.49Å; D483-R485 WeakPolarHBondContact OD1-CG 3.24Å; D483-R485 IonicContact OD1-CZ 3.06Å; D483-R485 PolarHBondContact OD1-N 3.25Å; D483-R485 IonicContact OD1-NE 2.66Å; D483-R485 PolarHBondContact OD1-NE 3.17Å; D483-R485 IonicContact OD1-NH2 3.52Å; D483-R485 IonicContact OD2-CZ 3.42Å; D483-R485 IonicContact OD2-NE 3.3Å; D483-R485 PolarHBondContact OD2-NE 3.19Å; D483-R485 IonicContact OD2-NH2 3.18Å; D483-R485 PolarHBondContact OD2-NH2 2.95Å; D483-Y486 HydrophobicContact CB-CD2 3.88Å; D483-Y486 HydrophobicContact CB-CE2 4.21Å; D483-Y486 PolarHBondContact O-N 3.09Å; D483-Y486 WeakPolarHBondContact OD2-CE2 3.15Å; D483-G489 WeakPolarHBondContact CB-O 3.24Å; D483-G489 PolarHBondContact N-O 2.82Å; D483-G489 WeakPolarHBondContact O-CA 3.48Å
484	S	79.1	Confident	74.8	Confident	81 Å²	81	72.6 Å²	72.6	57%	0.566	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13	-177.4	60.1	0	0	0	0	114.2	Q473 F482 Y486	Q473-S484 PolarHBondContact NE2-O 3.48Å; F482-S484 PolarHBondContact O-N 2.68Å; S484-Y486 PolarHBondContact O-N 3.44Å
485	R	83.2	Confident	77	Confident	188 Å²	188	65.7 Å²	65.7	71%	0.709	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.5	173.9	-62	178.8	-66.2	175.8	0.1	112.9	D483	D483-R485 PolarHBondContact O-N 3.03Å; D483-R485 WeakPolarHBondContact OD1-CB 3.49Å; D483-R485 WeakPolarHBondContact OD1-CG 3.24Å; D483-R485 IonicContact OD1-CZ 3.06Å; D483-R485 PolarHBondContact OD1-N 3.25Å; D483-R485 IonicContact OD1-NE 2.66Å; D483-R485 PolarHBondContact OD1-NE 3.17Å; D483-R485 IonicContact OD1-NH2 3.52Å; D483-R485 IonicContact OD2-CZ 3.42Å; D483-R485 IonicContact OD2-NE 3.3Å; D483-R485 PolarHBondContact OD2-NE 3.19Å; D483-R485 IonicContact OD2-NH2 3.18Å; D483-R485 PolarHBondContact OD2-NH2 2.95Å
486	Y	86.9	Confident	79.2	Confident	59 Å²	59	59.8 Å²	59.8	23%	0.231	32%	0.316	C	S	.	.	S	Bend	trans	-108.5	137.9	-177.5	-54.1	-58.3	0	0	0	110.8	Q473 D483 S484 N488 G489	Q473-Y486 PolarHBondContact NE2-O 2.92Å; Q473-Y486 VanDerWaalsContact NE2-O 3.09Å; D483-Y486 HydrophobicContact CB-CD2 3.88Å; D483-Y486 HydrophobicContact CB-CE2 4.21Å; D483-Y486 PolarHBondContact O-N 3.09Å; D483-Y486 WeakPolarHBondContact OD2-CE2 3.15Å; S484-Y486 PolarHBondContact O-N 3.44Å; Y486-N488 PolarHBondContact O-N 2.92Å; Y486-G489 PolarHBondContact O-N 2.77Å
487	A	86.7	Confident	81.4	Confident	5 Å²	5	57 Å²	57	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.3	179.9	0	0	0	0	0	113.6	E464	E464-A487 HydrophobicContact CB-CB 3.64Å
488	N	90.1	Very high	83.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-2.1	177.5	72.8	17.8	0	0	0	113.9	L457 Q460 F482 Y486 Y490 F491	L457-N488 HydrophobicContact CB-CB 4.49Å; L457-N488 HydrophobicContact CD2-CB 3.79Å; L457-N488 PolarHBondContact O-ND2 3.11Å; Q460-N488 HydrophobicContact CB-CB 3.77Å; F482-N488 WeakPolarHBondContact CE2-O 3.46Å; F482-N488 WeakPolarHBondContact CZ-O 3.18Å; Y486-N488 PolarHBondContact O-N 2.92Å; N488-Y490 WeakPolarHBondContact O-CD2 3.44Å; N488-Y490 WeakPolarHBondContact O-CE2 3.25Å; N488-Y490 PolarHBondContact O-N 3.1Å; N488-Y490 PolarHBondContact OD1-N 2.89Å; N488-F491 WeakPolarHBondContact ND2-CE1 3.43Å; N488-F491 WeakPolarHBondContact ND2-CE2 3.47Å; N488-F491 WeakPolarHBondContact ND2-CZ 3.28Å; N488-F491 PolarHBondContact ND2-O 3.29Å; N488-F491 PolarHBondContact OD1-N 2.93Å; N488-F491 PolarHBondContact OD1-O 3.47Å; N488-F491 VanDerWaalsContact OD1-O 3.13Å
489	G	87.9	Confident	86	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.031	23%	0.228	C	C	.	.	S	Bend	trans	83	-4.8	180	0	0	0	0	0	117.4	F482 D483 Y486	F482-G489 VanDerWaalsContact CD1-CA 3.43Å; F482-G489 VanDerWaalsContact CZ-CA 3.46Å; D483-G489 WeakPolarHBondContact CB-O 3.24Å; D483-G489 PolarHBondContact N-O 2.82Å; D483-G489 WeakPolarHBondContact O-CA 3.48Å; Y486-G489 PolarHBondContact O-N 2.77Å
490	Y	90.5	Very high	88	Confident	35 Å²	35	36.1 Å²	36.1	14%	0.137	20%	0.202	C	C	.	.	S	Bend	trans	-128.2	-40.9	-169.4	-61.7	-77.3	0	0	0	114.6	L442 L452 L457 F482 N488	L442-Y490 HydrophobicContact CB-CD1 3.85Å; L442-Y490 HydrophobicContact CB-CE1 4.31Å; L442-Y490 HydrophobicContact CB-CG 4.45Å; L442-Y490 HydrophobicContact CD1-CD1 4.35Å; L442-Y490 HydrophobicContact CD1-CG 4.12Å; L452-Y490 HydrophobicContact CD1-CE1 4.31Å; L452-Y490 HydrophobicContact CD1-CE2 4.29Å; L452-Y490 HydrophobicContact CD2-CE2 3.78Å; L452-Y490 WeakPolarHBondContact CD2-OH 3.37Å; L457-Y490 HydrophobicContact CD1-CD2 4.15Å; L457-Y490 HydrophobicContact CD2-CD2 3.76Å; L457-Y490 HydrophobicContact CD2-CE2 3.99Å; F482-Y490 HydrophobicContact CD2-CE2 4.44Å; F482-Y490 AromaticContact CE2-CE2 3.83Å; F482-Y490 HydrophobicContact CE2-CE2 3.83Å; N488-Y490 WeakPolarHBondContact O-CD2 3.44Å; N488-Y490 WeakPolarHBondContact O-CE2 3.25Å; N488-Y490 PolarHBondContact O-N 3.1Å; N488-Y490 PolarHBondContact OD1-N 2.89Å
491	F	94	Very high	89.9	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.026	18%	0.176	C	C	.	.			trans	-162.1	157.9	-176	61.7	-91.7	0	0	0	112.1	L382 K383 L442 L457 A461 N488	L382-F491 HydrophobicContact CD1-CE1 3.97Å; L382-F491 HydrophobicContact CD1-CE2 4.32Å; L382-F491 HydrophobicContact CD1-CZ 3.44Å; L382-F491 VanDerWaalsContact CD1-CZ 3.44Å; L382-F491 HydrophobicContact CD2-CE1 3.75Å; L382-F491 HydrophobicContact CD2-CZ 4.07Å; L382-F491 HydrophobicContact CG-CD1 4.48Å; L382-F491 HydrophobicContact CG-CE1 3.58Å; L382-F491 HydrophobicContact CG-CE2 4.1Å; L382-F491 HydrophobicContact CG-CZ 3.37Å; L382-F491 WeakPolarHBondContact O-CE2 3.43Å; K383-F491 HydrophobicContact CD-CB 4.27Å; K383-F491 HydrophobicContact CG-CB 4.24Å; K383-F491 HydrophobicContact CG-CD2 4.09Å; K383-F491 HydrophobicContact CG-CG 4.04Å; L442-F491 HydrophobicContact CD1-CD1 4.24Å; L442-F491 HydrophobicContact CD1-CE1 4.15Å; L442-F491 HydrophobicContact CD2-CD1 4.43Å; L457-F491 HydrophobicContact CB-CE1 4.02Å; L457-F491 HydrophobicContact CB-CZ 3.86Å; L457-F491 HydrophobicContact CD1-CE1 4.28Å; A461-F491 HydrophobicContact CB-CD2 4.02Å; A461-F491 HydrophobicContact CB-CE2 3.59Å; A461-F491 HydrophobicContact CB-CZ 4.49Å; N488-F491 WeakPolarHBondContact ND2-CE1 3.43Å; N488-F491 WeakPolarHBondContact ND2-CE2 3.47Å; N488-F491 WeakPolarHBondContact ND2-CZ 3.28Å; N488-F491 PolarHBondContact ND2-O 3.29Å; N488-F491 PolarHBondContact OD1-N 2.93Å; N488-F491 PolarHBondContact OD1-O 3.47Å; N488-F491 VanDerWaalsContact OD1-O 3.13Å
492	S	95.9	Very high	91.4	Very high	46 Å²	46	31 Å²	31	32%	0.322	16%	0.159	S	C	.	.			trans	-105.4	165.1	162.5	56.5	0	0	0	0	111.3	E464	E464-S492 WeakPolarHBondContact OE1-CB 3.16Å; E464-S492 WeakPolarHBondContact OE2-CB 3.23Å
493	V	98	Very high	92.5	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.03	15%	0.154	C	C	.	.			trans	-97.2	155.7	165.5	-65.3	0	0	0	0	109.6	A384 L458 A461 L462 G495 C514	A384-V493 HydrophobicContact CB-CB 4.11Å; A384-V493 HydrophobicContact CB-CG1 3.89Å; L458-V493 HydrophobicContact CD1-CG1 4.15Å; A461-V493 HydrophobicContact CB-CG1 3.96Å; L462-V493 HydrophobicContact CD2-CG1 4.38Å; L462-V493 HydrophobicContact CD2-CG2 4.26Å; V493-G495 PolarHBondContact O-N 2.88Å; V493-C514 HydrophobicContact CG2-CB 4.27Å
494	P	98.2	Very high	93	Very high	38 Å²	38	31.5 Å²	31.5	25%	0.247	17%	0.168	C	C	.	.			trans	-57	132.8	174.3	-22.7	32.9	0	0	0	111.3	K383 H496 T497	K383-P494 WeakPolarHBondContact O-CD 3.11Å; P494-H496 WeakPolarHBondContact CB-CE1 3.47Å; P494-H496 PolarHBondContact O-N 3.34Å; P494-H496 VanDerWaalsContact O-N 3.08Å; P494-T497 WeakPolarHBondContact O-CB 3.36Å; P494-T497 PolarHBondContact O-N 2.79Å; P494-T497 PolarHBondContact O-OG1 3.46Å
495	G	97.8	Very high	93.3	Very high	17 Å²	17	31.7 Å²	31.7	18%	0.175	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	-173.6	0	0	0	0	0	114.6	V493 T497 C514 R515	V493-G495 PolarHBondContact O-N 2.88Å; G495-T497 VanDerWaalsContact C-N 3.29Å; G495-C514 PolarHBondContact O-N 2.95Å; G495-R515 VanDerWaalsContact O-CB 3.28Å; G495-R515 WeakPolarHBondContact O-CB 3.21Å; G495-R515 VanDerWaalsContact O-CG 3.27Å; G495-R515 WeakPolarHBondContact O-CG 3.48Å; G495-R515 PolarHBondContact O-N 2.88Å; G495-R515 PolarHBondContact O-NE 2.85Å; G495-R515 VanDerWaalsContact O-NE 3.16Å
496	H	97	Very high	93.3	Very high	39 Å²	39	24.3 Å²	24.3	18%	0.181	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.5	175.8	55.3	-80.3	0	0	0	113.4	R22 E24 P494 P498 R515	R22-H496 PolarHBondContact O-NE2 3.24Å; R22-H496 VanDerWaalsContact O-NE2 3.09Å; E24-H496 VanDerWaalsContact CA-CD2 3.42Å; E24-H496 WeakPolarHBondContact CA-CD2 3.26Å; E24-H496 HydrophobicContact CB-CB 4.36Å; E24-H496 HydrophobicContact CG-CB 4.06Å; E24-H496 PolarHBondContact N-NE2 3.37Å; P494-H496 WeakPolarHBondContact CB-CE1 3.47Å; P494-H496 PolarHBondContact O-N 3.34Å; P494-H496 VanDerWaalsContact O-N 3.08Å; H496-P498 WeakPolarHBondContact O-CD 3.26Å; H496-P498 VanDerWaalsContact O-N 3.1Å; H496-R515 VanDerWaalsContact CB-NH2 3.27Å
497	T	98.4	Very high	93.4	Very high	2 Å²	2	25 Å²	25	1%	0.012	15%	0.154	C	C	.	.			trans	-56.1	116.6	-178.7	-58	0	0	0	0	109.5	F19 A384 L462 P494 G495 L499 C514	F19-T497 HydrophobicContact CB-CG2 4.02Å; F19-T497 HydrophobicContact CD2-CG2 3.93Å; F19-T497 HydrophobicContact CG-CG2 4.39Å; A384-T497 HydrophobicContact CB-CG2 4.14Å; L462-T497 HydrophobicContact CD2-CG2 4.4Å; P494-T497 WeakPolarHBondContact O-CB 3.36Å; P494-T497 PolarHBondContact O-N 2.79Å; P494-T497 PolarHBondContact O-OG1 3.46Å; G495-T497 VanDerWaalsContact C-N 3.29Å; T497-L499 PolarHBondContact O-N 3.11Å; T497-C514 PolarHBondContact O-N 2.69Å; T497-C514 PolarHBondContact O-SG 3.33Å
498	P	98.1	Very high	93.6	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.032	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.3	175.6	-20.1	33.9	0	0	0	109.8	F19 V20 H496 L512	F19-P498 WeakPolarHBondContact CA-O 3.28Å; F19-P498 VanDerWaalsContact CB-O 3.23Å; F19-P498 WeakPolarHBondContact CB-O 3.49Å; V20-P498 HydrophobicContact CB-CG 4.34Å; V20-P498 PolarHBondContact N-O 2.94Å; V20-P498 WeakPolarHBondContact O-CD 3.32Å; H496-P498 WeakPolarHBondContact O-CD 3.26Å; H496-P498 VanDerWaalsContact O-N 3.1Å; P498-L512 CarbonylContact C-O 3.54Å; P498-L512 WeakPolarHBondContact CA-O 3.5Å
499	L	98.5	Very high	93.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.2	174.1	179.4	62.9	0	0	0	108.7	V17 L462 L463 T497 F501 R511 L512	V17-L499 HydrophobicContact CG1-CD1 3.49Å; V17-L499 VanDerWaalsContact CG1-CD1 3.49Å; L462-L499 HydrophobicContact CB-CD1 4.34Å; L462-L499 HydrophobicContact CB-CD2 4.45Å; L462-L499 HydrophobicContact CD1-CD1 4.17Å; L462-L499 HydrophobicContact CD2-CD1 4.38Å; L463-L499 HydrophobicContact CD2-CD2 3.76Å; L463-L499 HydrophobicContact CG-CD2 4.23Å; T497-L499 PolarHBondContact O-N 3.11Å; L499-F501 HydrophobicContact CD2-CE2 3.91Å; L499-F501 HydrophobicContact CD2-CZ 4.04Å; L499-F501 HydrophobicContact CG-CE2 3.95Å; L499-F501 HydrophobicContact CG-CZ 4.32Å; L499-R511 VanDerWaalsContact O-CA 3.27Å; L499-R511 WeakPolarHBondContact O-CA 3.37Å; L499-L512 HydrophobicContact CB-CD2 3.89Å; L499-L512 HydrophobicContact CD2-CD2 4.05Å; L499-L512 HydrophobicContact CG-CD2 4.08Å; L499-L512 PolarHBondContact N-O 3.45Å; L499-L512 PolarHBondContact O-N 2.73Å
500	I	97.9	Very high	94	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.036	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127	-171.5	-56.5	164.8	0	0	0	108.6	S18 V20 T74 C502 T508 F510 R511	S18-I500 PolarHBondContact N-O 3.3Å; S18-I500 PolarHBondContact O-N 3.14Å; V20-I500 HydrophobicContact CG2-CD1 4.31Å; T74-I500 HydrophobicContact CG2-CD1 3.76Å; T74-I500 HydrophobicContact CG2-CG1 3.86Å; T74-I500 HydrophobicContact CG2-CG2 4.01Å; I500-C502 HydrophobicContact CG2-CB 4.41Å; I500-T508 HydrophobicContact CG2-CG2 4.1Å; I500-F510 WeakPolarHBondContact CA-O 3.3Å; I500-R511 HydrophobicContact CG1-CB 4.45Å; I500-R511 HydrophobicContact CG1-CG 4.07Å
501	F	97.3	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122	168.4	-63.4	-91	0	0	0	108.3	I15 V17 L463 L499 L509 F510 L512 L526 V529 V530	I15-F501 HydrophobicContact CG2-CB 4.2Å; I15-F501 HydrophobicContact CG2-CD1 4.21Å; V17-F501 HydrophobicContact CG1-CE1 4.46Å; V17-F501 HydrophobicContact CG2-CD1 3.99Å; V17-F501 HydrophobicContact CG2-CE1 3.8Å; L463-F501 HydrophobicContact CD2-CZ 4.39Å; L499-F501 HydrophobicContact CD2-CE2 3.91Å; L499-F501 HydrophobicContact CD2-CZ 4.04Å; L499-F501 HydrophobicContact CG-CE2 3.95Å; L499-F501 HydrophobicContact CG-CZ 4.32Å; F501-L509 HydrophobicContact CB-CB 4.49Å; F501-L509 WeakPolarHBondContact O-CA 3.12Å; F501-L509 WeakPolarHBondContact O-CB 3.34Å; F501-L509 PolarHBondContact O-N 3.11Å; F501-F510 HydrophobicContact CD2-CB 4.44Å; F501-F510 HydrophobicContact CD2-CD1 4.29Å; F501-F510 PolarHBondContact N-O 3.2Å; F501-F510 PolarHBondContact O-N 3.29Å; F501-L512 HydrophobicContact CE2-CD2 4.23Å; F501-L526 HydrophobicContact CD2-CD2 4.42Å; F501-L526 HydrophobicContact CE2-CD2 3.52Å; F501-L526 HydrophobicContact CZ-CD2 3.92Å; F501-V529 HydrophobicContact CB-CB 4.46Å; F501-V529 HydrophobicContact CB-CG2 4.28Å; F501-V529 HydrophobicContact CD1-CG2 4.48Å; F501-V529 HydrophobicContact CD2-CG2 3.96Å; F501-V529 HydrophobicContact CE2-CG2 4.47Å; F501-V529 HydrophobicContact CG-CG2 3.98Å; F501-V530 HydrophobicContact CE1-CB 4.4Å; F501-V530 HydrophobicContact CE1-CG2 3.81Å; F501-V530 HydrophobicContact CE2-CG2 4.45Å; F501-V530 HydrophobicContact CZ-CG2 3.69Å
502	C	94.9	Very high	94.4	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.6	-176.7	59.3	0	0	0	0	112.6	I15 Q16 I500 R507	I15-C502 WeakPolarHBondContact CA-O 3.49Å; Q16-C502 PolarHBondContact N-O 3.42Å; Q16-C502 PolarHBondContact O-N 3.5Å; Q16-C502 VanDerWaalsContact O-N 3.1Å; I500-C502 HydrophobicContact CG2-CB 4.41Å; C502-R507 CarbonylContact C-O 3.57Å; C502-R507 VanDerWaalsContact CA-O 3.27Å; C502-R507 WeakPolarHBondContact CA-O 3.44Å; C502-R507 WeakPolarHBondContact CB-O 3.37Å
503	E	92.9	Very high	94.4	Very high	35 Å²	35	26.4 Å²	26.4	16%	0.164	16%	0.158	C	C	.	.			trans	-79.4	154	167.5	-64.7	173.9	179.5	0	0	109.4	K13 S505 G506 R507 L509	K13-E503 IonicContact NZ-OE1 2.76Å; E503-S505 WeakPolarHBondContact CB-OG 3.47Å; E503-S505 PolarHBondContact O-N 3.44Å; E503-G506 WeakPolarHBondContact O-CA 3.27Å; E503-G506 PolarHBondContact O-N 3.33Å; E503-R507 HydrophobicContact CB-CB 4.39Å; E503-R507 PolarHBondContact N-O 3.44Å; E503-R507 IonicContact OE1-NH1 3.33Å; E503-R507 PolarHBondContact OE1-NH1 2.95Å; E503-R507 VanDerWaalsContact OE1-NH1 3.15Å; E503-R507 IonicContact OE2-NH1 3.57Å; E503-L509 HydrophobicContact CG-CD1 4.28Å; E503-L509 HydrophobicContact CG-CD2 4.13Å; E503-L509 HydrophobicContact CG-CG 4.34Å
504	P	89.9	Confident	94.4	Very high	79 Å²	79	26.2 Å²	26.2	51%	0.513	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-17.1	175.1	-29.2	32.8	0	0	0	115.2	K14 Q16 G506	K14-P504 HydrophobicContact CB-CG 3.91Å; K14-P504 WeakPolarHBondContact O-CD 3.4Å; Q16-P504 HydrophobicContact CG-CG 4.45Å; P504-G506 PolarHBondContact O-N 2.68Å
505	S	85.6	Confident	94.3	Very high	86 Å²	86	29.3 Å²	29.3	60%	0.601	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9	170.9	57.5	0	0	0	0	113.6	E503 R507	E503-S505 WeakPolarHBondContact CB-OG 3.47Å; E503-S505 PolarHBondContact O-N 3.44Å; S505-R507 PolarHBondContact OG-N 3.44Å
506	G	83.2	Confident	94.3	Very high	33 Å²	33	32.2 Å²	32.2	34%	0.34	18%	0.175	S	C	.	.	S	Bend	trans	89.3	-3.3	-172.1	0	0	0	0	0	114.1	E503 P504 T508	E503-G506 WeakPolarHBondContact O-CA 3.27Å; E503-G506 PolarHBondContact O-N 3.33Å; P504-G506 PolarHBondContact O-N 2.68Å; G506-T508 PolarHBondContact O-N 3.15Å
507	R	88.9	Confident	94.2	Very high	74 Å²	74	30.3 Å²	30.3	28%	0.279	17%	0.167	S	C	.	.			trans	-69.3	119.1	-179.9	-179.7	174.9	177.3	-115.5	-0.3	111.3	C502 E503 S505 L509	C502-R507 CarbonylContact C-O 3.57Å; C502-R507 VanDerWaalsContact CA-O 3.27Å; C502-R507 WeakPolarHBondContact CA-O 3.44Å; C502-R507 WeakPolarHBondContact CB-O 3.37Å; E503-R507 HydrophobicContact CB-CB 4.39Å; E503-R507 PolarHBondContact N-O 3.44Å; E503-R507 IonicContact OE1-NH1 3.33Å; E503-R507 PolarHBondContact OE1-NH1 2.95Å; E503-R507 VanDerWaalsContact OE1-NH1 3.15Å; E503-R507 IonicContact OE2-NH1 3.57Å; S505-R507 PolarHBondContact OG-N 3.44Å; R507-L509 PolarHBondContact O-N 2.98Å
508	T	91.7	Very high	94	Very high	17 Å²	17	33 Å²	33	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124	178.2	-65.8	0	0	0	0	111.8	T74 I500 G506	T74-T508 HydrophobicContact CG2-CG2 3.84Å; T74-T508 WeakPolarHBondContact OG1-CB 3.45Å; T74-T508 PolarHBondContact OG1-OG1 3.46Å; I500-T508 HydrophobicContact CG2-CG2 4.1Å; G506-T508 PolarHBondContact O-N 3.15Å
509	L	91.9	Very high	93.8	Very high	30 Å²	30	34 Å²	34	16%	0.157	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-53.3	173.5	-57.9	178.1	0	0	0	109.7	I15 R113 F501 E503 R507 V529	I15-L509 HydrophobicContact CD1-CD1 3.76Å; I15-L509 HydrophobicContact CG1-CD1 3.84Å; I15-L509 HydrophobicContact CG2-CD1 4.36Å; R113-L509 PolarHBondContact NH2-O 3.48Å; F501-L509 HydrophobicContact CB-CB 4.49Å; F501-L509 WeakPolarHBondContact O-CA 3.12Å; F501-L509 WeakPolarHBondContact O-CB 3.34Å; F501-L509 PolarHBondContact O-N 3.11Å; E503-L509 HydrophobicContact CG-CD1 4.28Å; E503-L509 HydrophobicContact CG-CD2 4.13Å; E503-L509 HydrophobicContact CG-CG 4.34Å; R507-L509 PolarHBondContact O-N 2.98Å; L509-V529 HydrophobicContact CB-CG1 4.29Å
510	F	94.1	Very high	93.4	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.1	-176.9	-173.5	-131.5	0	0	0	112	I500 F501 L512 E522 L525 L526 V529	I500-F510 WeakPolarHBondContact CA-O 3.3Å; F501-F510 HydrophobicContact CD2-CB 4.44Å; F501-F510 HydrophobicContact CD2-CD1 4.29Å; F501-F510 PolarHBondContact N-O 3.2Å; F501-F510 PolarHBondContact O-N 3.29Å; F510-L512 HydrophobicContact CD1-CD2 4.04Å; F510-L512 HydrophobicContact CE1-CB 4.17Å; F510-L512 HydrophobicContact CE1-CD1 3.99Å; F510-L512 HydrophobicContact CE1-CD2 3.75Å; F510-L512 HydrophobicContact CE1-CG 4.19Å; F510-L512 HydrophobicContact CZ-CB 4.06Å; F510-L512 HydrophobicContact CZ-CD1 4.41Å; F510-L512 HydrophobicContact CZ-CD2 4.47Å; F510-E522 HydrophobicContact CZ-CB 4.26Å; F510-E522 HydrophobicContact CZ-CG 4.19Å; F510-L525 HydrophobicContact CD1-CB 4.27Å; F510-L525 HydrophobicContact CD2-CB 4.14Å; F510-L525 HydrophobicContact CD2-CD1 3.91Å; F510-L525 HydrophobicContact CE1-CB 4.02Å; F510-L525 HydrophobicContact CE2-CB 3.93Å; F510-L525 HydrophobicContact CE2-CD1 3.4Å; F510-L525 VanDerWaalsContact CE2-CD1 3.4Å; F510-L525 HydrophobicContact CE2-CG 4.3Å; F510-L525 HydrophobicContact CG-CB 4.33Å; F510-L525 HydrophobicContact CZ-CB 3.86Å; F510-L525 HydrophobicContact CZ-CD1 3.96Å; F510-L526 HydrophobicContact CD1-CD2 4.05Å; F510-L526 HydrophobicContact CD1-CG 4.43Å; F510-L526 HydrophobicContact CE1-CD2 3.93Å; F510-L526 HydrophobicContact CE1-CG 3.92Å; F510-V529 HydrophobicContact CB-CB 4.4Å; F510-V529 HydrophobicContact CB-CG1 4.09Å; F510-V529 HydrophobicContact CB-CG2 3.89Å; F510-V529 HydrophobicContact CD1-CG2 3.97Å; F510-V529 HydrophobicContact CG-CG2 4.33Å
511	R	95	Very high	93	Very high	38 Å²	38	47.4 Å²	47.4	14%	0.143	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.4	176.5	177.7	-163.1	-178.3	-83.1	6.1	108.6	E71 H72 T74 L499 I500	E71-R511 VanDerWaalsContact O-CZ 3.23Å; E71-R511 PolarHBondContact O-NH1 3.25Å; E71-R511 PolarHBondContact O-NH2 3.43Å; H72-R511 WeakPolarHBondContact O-CD 3.29Å; T74-R511 HydrophobicContact CG2-CB 3.95Å; T74-R511 HydrophobicContact CG2-CG 3.99Å; L499-R511 VanDerWaalsContact O-CA 3.27Å; L499-R511 WeakPolarHBondContact O-CA 3.37Å; I500-R511 HydrophobicContact CG1-CB 4.45Å; I500-R511 HydrophobicContact CG1-CG 4.07Å
512	L	96.5	Very high	92.8	Very high	7 Å²	7	50 Å²	50	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166.3	171.6	70.1	172.3	0	0	0	110.6	P498 L499 F501 F510 A517 E522 L526	P498-L512 CarbonylContact C-O 3.54Å; P498-L512 WeakPolarHBondContact CA-O 3.5Å; L499-L512 HydrophobicContact CB-CD2 3.89Å; L499-L512 HydrophobicContact CD2-CD2 4.05Å; L499-L512 HydrophobicContact CG-CD2 4.08Å; L499-L512 PolarHBondContact N-O 3.45Å; L499-L512 PolarHBondContact O-N 2.73Å; F501-L512 HydrophobicContact CE2-CD2 4.23Å; F510-L512 HydrophobicContact CD1-CD2 4.04Å; F510-L512 HydrophobicContact CE1-CB 4.17Å; F510-L512 HydrophobicContact CE1-CD1 3.99Å; F510-L512 HydrophobicContact CE1-CD2 3.75Å; F510-L512 HydrophobicContact CE1-CG 4.19Å; F510-L512 HydrophobicContact CZ-CB 4.06Å; F510-L512 HydrophobicContact CZ-CD1 4.41Å; F510-L512 HydrophobicContact CZ-CD2 4.47Å; L512-A517 HydrophobicContact CD1-CB 3.82Å; L512-E522 HydrophobicContact CD1-CB 4.3Å; L512-E522 HydrophobicContact CD1-CG 4.45Å; L512-L526 HydrophobicContact CD1-CD1 3.98Å; L512-L526 HydrophobicContact CD1-CD2 4.33Å; L512-L526 HydrophobicContact CD1-CG 4.36Å; L512-L526 HydrophobicContact CD2-CD2 4.29Å
513	A	97.3	Very high	92.7	Very high	16 Å²	16	52.1 Å²	52.1	13%	0.132	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.1	159	0	0	0	0	0	109.1	R515 D516	A513-R515 HydrophobicContact CB-CG 4.4Å; A513-R515 PolarHBondContact O-N 2.7Å; A513-R515 VanDerWaalsContact O-N 3.14Å; A513-D516 WeakPolarHBondContact CB-OD2 3.33Å; A513-D516 PolarHBondContact O-N 2.87Å
514	C	97.8	Very high	92.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.2	-37.2	-177.3	-65.5	0	0	0	0	112.6	L462 H465 V493 G495 T497 D516 A517	L462-C514 PolarHBondContact O-SG 3.25Å; H465-C514 WeakPolarHBondContact CB-O 3.36Å; H465-C514 PolarHBondContact CD2-O 2.77Å; V493-C514 HydrophobicContact CG2-CB 4.27Å; G495-C514 PolarHBondContact O-N 2.95Å; T497-C514 PolarHBondContact O-N 2.69Å; T497-C514 PolarHBondContact O-SG 3.33Å; C514-D516 VanDerWaalsContact C-N 3.25Å; C514-D516 PolarHBondContact O-N 2.94Å; C514-A517 WeakPolarHBondContact O-CB 3.44Å; C514-A517 PolarHBondContact O-N 2.94Å
515	R	96.6	Very high	92.8	Very high	104 Å²	104	53 Å²	53	39%	0.392	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.8	-26.7	178.7	73.8	-178.2	73.5	-172.4	0.1	114.1	E24 G495 H496 A513 A517	E24-R515 IonicContact OE1-CZ 2.78Å; E24-R515 IonicContact OE1-NH1 3.64Å; E24-R515 PolarHBondContact OE1-NH1 3.38Å; E24-R515 IonicContact OE1-NH2 2.95Å; E24-R515 PolarHBondContact OE1-NH2 3.13Å; G495-R515 VanDerWaalsContact O-CB 3.28Å; G495-R515 WeakPolarHBondContact O-CB 3.21Å; G495-R515 VanDerWaalsContact O-CG 3.27Å; G495-R515 WeakPolarHBondContact O-CG 3.48Å; G495-R515 PolarHBondContact O-N 2.88Å; G495-R515 PolarHBondContact O-NE 2.85Å; G495-R515 VanDerWaalsContact O-NE 3.16Å; H496-R515 VanDerWaalsContact CB-NH2 3.27Å; A513-R515 HydrophobicContact CB-CG 4.4Å; A513-R515 PolarHBondContact O-N 2.7Å; A513-R515 VanDerWaalsContact O-N 3.14Å; R515-A517 VanDerWaalsContact C-N 3.31Å; R515-A517 PolarHBondContact O-N 2.88Å
516	D	96.3	Very high	93.3	Very high	77 Å²	77	48.9 Å²	48.9	41%	0.412	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-85.7	-4.6	-173.6	-58.9	-32	0	0	0	112.3	A513 C514 A518 G519 E522	A513-D516 WeakPolarHBondContact CB-OD2 3.33Å; A513-D516 PolarHBondContact O-N 2.87Å; C514-D516 VanDerWaalsContact C-N 3.25Å; C514-D516 PolarHBondContact O-N 2.94Å; D516-A518 PolarHBondContact O-N 2.91Å; D516-G519 PolarHBondContact O-N 3.26Å; D516-E522 HydrophobicContact CB-CG 4.32Å; D516-E522 WeakPolarHBondContact O-CB 3.48Å; D516-E522 WeakPolarHBondContact O-CG 3.37Å
517	A	96.2	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.1	-14.8	-176.8	0	0	0	0	0	114.8	H465 W466 L512 C514 R515 L526	H465-A517 HydrophobicContact CB-CB 4.15Å; W466-A517 HydrophobicContact CB-CB 4.1Å; L512-A517 HydrophobicContact CD1-CB 3.82Å; C514-A517 WeakPolarHBondContact O-CB 3.44Å; C514-A517 PolarHBondContact O-N 2.94Å; R515-A517 VanDerWaalsContact C-N 3.31Å; R515-A517 PolarHBondContact O-N 2.88Å; A517-L526 HydrophobicContact CB-CD1 3.81Å
518	A	94.1	Very high	93.8	Very high	58 Å²	58	54.6 Å²	54.6	48%	0.479	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-85.6	-12.2	174.5	0	0	0	0	0	114.3	H465 D516	H465-A518 WeakPolarHBondContact O-CB 3.46Å; D516-A518 PolarHBondContact O-N 2.91Å
519	G	93.2	Very high	93.9	Very high	26 Å²	26	54.7 Å²	54.7	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	-62.1	147.4	177.8	0	0	0	0	0	111.7	D516 N521 E522 N523	D516-G519 PolarHBondContact O-N 3.26Å; G519-N521 VanDerWaalsContact C-N 3.34Å; G519-N521 PolarHBondContact O-N 3.39Å; G519-E522 WeakPolarHBondContact CA-OE2 3.41Å; G519-E522 PolarHBondContact O-N 2.78Å; G519-N523 WeakPolarHBondContact O-CB 3.42Å; G519-N523 PolarHBondContact O-N 3Å
520	E	89.8	Confident	94.2	Very high	172 Å²	172	53.8 Å²	53.8	80%	0.804	29%	0.29	S	S	*	.	H	α-helix	trans	-59.2	-45.3	-174.8	-174.7	176.2	-173.7	0	0	112	A524	E520-A524 PolarHBondContact O-N 3.4Å
521	N	89.1	Confident	94.2	Very high	117 Å²	117	53.7 Å²	53.7	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-68.3	-45.2	178.8	-66.6	-38.6	0	0	0	111.5	G519 A524 L525	G519-N521 VanDerWaalsContact C-N 3.34Å; G519-N521 PolarHBondContact O-N 3.39Å; N521-A524 PolarHBondContact O-N 3.16Å; N521-L525 WeakPolarHBondContact O-CG 3.41Å; N521-L525 PolarHBondContact O-N 3.4Å
522	E	93.6	Very high	94.2	Very high	56 Å²	56	55.6 Å²	55.6	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-43.5	180	-68.4	66.9	-149.8	0	0	110.9	F510 L512 D516 G519 A524 L525 L526	F510-E522 HydrophobicContact CZ-CB 4.26Å; F510-E522 HydrophobicContact CZ-CG 4.19Å; L512-E522 HydrophobicContact CD1-CB 4.3Å; L512-E522 HydrophobicContact CD1-CG 4.45Å; D516-E522 HydrophobicContact CB-CG 4.32Å; D516-E522 WeakPolarHBondContact O-CB 3.48Å; D516-E522 WeakPolarHBondContact O-CG 3.37Å; G519-E522 WeakPolarHBondContact CA-OE2 3.41Å; G519-E522 PolarHBondContact O-N 2.78Å; E522-A524 PolarHBondContact O-N 3.41Å; E522-L525 PolarHBondContact O-N 2.99Å; E522-L526 WeakPolarHBondContact O-CB 3.47Å; E522-L526 VanDerWaalsContact O-CG 3.23Å; E522-L526 WeakPolarHBondContact O-CG 3.31Å; E522-L526 PolarHBondContact O-N 3.22Å
523	N	93.3	Very high	94.2	Very high	54 Å²	54	55.8 Å²	55.8	29%	0.289	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-42.4	177.2	176.3	52.1	0	0	0	112	W466 G519 H527	W466-N523 PolarHBondContact NE1-OD1 3.34Å; G519-N523 WeakPolarHBondContact O-CB 3.42Å; G519-N523 PolarHBondContact O-N 3Å; N523-H527 PolarHBondContact O-N 2.95Å
524	A	91.7	Very high	94.2	Very high	55 Å²	55	55 Å²	55	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-47.1	175.4	0	0	0	0	0	111.5	E520 N521 E522 L526 H527	E520-A524 PolarHBondContact O-N 3.4Å; N521-A524 PolarHBondContact O-N 3.16Å; E522-A524 PolarHBondContact O-N 3.41Å; A524-L526 PolarHBondContact O-N 3.28Å; A524-H527 VanDerWaalsContact O-CB 3.28Å; A524-H527 WeakPolarHBondContact O-CB 3.41Å; A524-H527 PolarHBondContact O-N 3.25Å
525	L	92.4	Very high	94	Very high	76 Å²	76	57.1 Å²	57.1	40%	0.398	32%	0.315	S	S	.	.	H	α-helix	trans	-65.7	-37.2	179.3	-70.8	169.9	0	0	0	112.7	F510 N521 E522 H527 D528 V529	F510-L525 HydrophobicContact CD1-CB 4.27Å; F510-L525 HydrophobicContact CD2-CB 4.14Å; F510-L525 HydrophobicContact CD2-CD1 3.91Å; F510-L525 HydrophobicContact CE1-CB 4.02Å; F510-L525 HydrophobicContact CE2-CB 3.93Å; F510-L525 HydrophobicContact CE2-CD1 3.4Å; F510-L525 VanDerWaalsContact CE2-CD1 3.4Å; F510-L525 HydrophobicContact CE2-CG 4.3Å; F510-L525 HydrophobicContact CG-CB 4.33Å; F510-L525 HydrophobicContact CZ-CB 3.86Å; F510-L525 HydrophobicContact CZ-CD1 3.96Å; N521-L525 WeakPolarHBondContact O-CG 3.41Å; N521-L525 PolarHBondContact O-N 3.4Å; E522-L525 PolarHBondContact O-N 2.99Å; L525-H527 VanDerWaalsContact C-N 3.26Å; L525-H527 PolarHBondContact O-N 3.16Å; L525-D528 PolarHBondContact O-N 2.86Å; L525-D528 VanDerWaalsContact O-N 3.16Å; L525-V529 VanDerWaalsContact O-CG2 3.28Å; L525-V529 WeakPolarHBondContact O-CG2 3.44Å; L525-V529 PolarHBondContact O-N 3.42Å
526	L	95.7	Very high	93.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-36.4	174	-76	171.5	0	0	0	111.8	L463 W466 F501 F510 L512 A517 E522 A524 D528 V529 V530	L463-L526 HydrophobicContact CD2-CD1 4.38Å; L463-L526 HydrophobicContact CD2-CD2 4.14Å; W466-L526 HydrophobicContact CB-CD1 4.23Å; W466-L526 HydrophobicContact CD2-CB 4.46Å; W466-L526 HydrophobicContact CD2-CD1 4.3Å; W466-L526 HydrophobicContact CG-CD1 3.79Å; W466-L526 HydrophobicContact CZ2-CB 4.12Å; F501-L526 HydrophobicContact CD2-CD2 4.42Å; F501-L526 HydrophobicContact CE2-CD2 3.52Å; F501-L526 HydrophobicContact CZ-CD2 3.92Å; F510-L526 HydrophobicContact CD1-CD2 4.05Å; F510-L526 HydrophobicContact CD1-CG 4.43Å; F510-L526 HydrophobicContact CE1-CD2 3.93Å; F510-L526 HydrophobicContact CE1-CG 3.92Å; L512-L526 HydrophobicContact CD1-CD1 3.98Å; L512-L526 HydrophobicContact CD1-CD2 4.33Å; L512-L526 HydrophobicContact CD1-CG 4.36Å; L512-L526 HydrophobicContact CD2-CD2 4.29Å; A517-L526 HydrophobicContact CB-CD1 3.81Å; E522-L526 WeakPolarHBondContact O-CB 3.47Å; E522-L526 VanDerWaalsContact O-CG 3.23Å; E522-L526 WeakPolarHBondContact O-CG 3.31Å; E522-L526 PolarHBondContact O-N 3.22Å; A524-L526 PolarHBondContact O-N 3.28Å; L526-D528 PolarHBondContact O-N 3.25Å; L526-V529 PolarHBondContact O-N 3.03Å; L526-V530 HydrophobicContact CB-CG2 4.14Å; L526-V530 HydrophobicContact CD2-CG2 3.83Å; L526-V530 WeakPolarHBondContact O-CB 3.33Å; L526-V530 WeakPolarHBondContact O-CG2 3.47Å; L526-V530 PolarHBondContact O-N 3.2Å
527	H	91.7	Very high	93.8	Very high	95 Å²	95	51.8 Å²	51.8	44%	0.44	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-35.7	176.4	-163.6	-73.4	0	0	0	112.3	R468 N523 A524 L525	R468-H527 PolarHBondContact NH1-CD2 3.19Å; R468-H527 VanDerWaalsContact NH1-CD2 3.27Å; R468-H527 PolarHBondContact NH1-NE2 3.43Å; R468-H527 PolarHBondContact NH2-NE2 3.02Å; N523-H527 PolarHBondContact O-N 2.95Å; A524-H527 VanDerWaalsContact O-CB 3.28Å; A524-H527 WeakPolarHBondContact O-CB 3.41Å; A524-H527 PolarHBondContact O-N 3.25Å; L525-H527 VanDerWaalsContact C-N 3.26Å; L525-H527 PolarHBondContact O-N 3.16Å
528	D	91.9	Very high	93.7	Very high	133 Å²	133	51.8 Å²	51.8	71%	0.711	29%	0.294	S	S	*	.	H	α-helix	trans	-82.7	-26.2	-178.2	-68.4	-27.3	0	0	0	113.9	L525 L526	L525-D528 PolarHBondContact O-N 2.86Å; L525-D528 VanDerWaalsContact O-N 3.16Å; L526-D528 PolarHBondContact O-N 3.25Å
529	V	94.5	Very high	93.6	Very high	19 Å²	19	50 Å²	50	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-111.8	-22.2	-169.3	-55.5	0	0	0	0	115.4	I15 F501 L509 F510 L525 L526 P531	I15-V529 WeakPolarHBondContact CD1-O 3.22Å; F501-V529 HydrophobicContact CB-CB 4.46Å; F501-V529 HydrophobicContact CB-CG2 4.28Å; F501-V529 HydrophobicContact CD1-CG2 4.48Å; F501-V529 HydrophobicContact CD2-CG2 3.96Å; F501-V529 HydrophobicContact CE2-CG2 4.47Å; F501-V529 HydrophobicContact CG-CG2 3.98Å; L509-V529 HydrophobicContact CB-CG1 4.29Å; F510-V529 HydrophobicContact CB-CB 4.4Å; F510-V529 HydrophobicContact CB-CG1 4.09Å; F510-V529 HydrophobicContact CB-CG2 3.89Å; F510-V529 HydrophobicContact CD1-CG2 3.97Å; F510-V529 HydrophobicContact CG-CG2 4.33Å; L525-V529 VanDerWaalsContact O-CG2 3.28Å; L525-V529 WeakPolarHBondContact O-CG2 3.44Å; L525-V529 PolarHBondContact O-N 3.42Å; L526-V529 PolarHBondContact O-N 3.03Å; V529-P531 WeakPolarHBondContact O-CD 3.34Å
530	V	96.5	Very high	93.6	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.067	29%	0.289	C	S	.	.	S	Bend	trans	-70.7	121.6	-178.5	175.5	0	0	0	0	109.4	W466 F501 L526 V534 L535	W466-V530 HydrophobicContact CH2-CB 4.43Å; W466-V530 HydrophobicContact CH2-CG2 4.38Å; W466-V530 HydrophobicContact CZ3-CG1 4.33Å; W466-V530 HydrophobicContact CZ3-CG2 4.4Å; F501-V530 HydrophobicContact CE1-CB 4.4Å; F501-V530 HydrophobicContact CE1-CG2 3.81Å; F501-V530 HydrophobicContact CE2-CG2 4.45Å; F501-V530 HydrophobicContact CZ-CG2 3.69Å; L526-V530 HydrophobicContact CB-CG2 4.14Å; L526-V530 HydrophobicContact CD2-CG2 3.83Å; L526-V530 WeakPolarHBondContact O-CB 3.33Å; L526-V530 WeakPolarHBondContact O-CG2 3.47Å; L526-V530 PolarHBondContact O-N 3.2Å; V530-V534 HydrophobicContact CG1-CB 3.79Å; V530-V534 HydrophobicContact CG1-CG1 3.66Å; V530-L535 HydrophobicContact CB-CD2 4.25Å; V530-L535 HydrophobicContact CG1-CD2 3.69Å; V530-L535 HydrophobicContact CG1-CG 3.99Å
531	P	96.1	Very high	93.5	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.091	26%	0.26	C	S	.	.			trans	-74.9	158.4	-177.2	30.6	-35.1	0	0	0	112.4	I15 V529 W533 V534 L535	I15-P531 HydrophobicContact CB-CB 4.13Å; I15-P531 HydrophobicContact CB-CG 4.08Å; I15-P531 HydrophobicContact CG2-CG 4.19Å; V529-P531 WeakPolarHBondContact O-CD 3.34Å; P531-W533 VanDerWaalsContact C-N 3.33Å; P531-W533 HydrophobicContact CG-CD2 4.43Å; P531-W533 HydrophobicContact CG-CG 4.46Å; P531-W533 HydrophobicContact CG-CZ2 4.17Å; P531-W533 PolarHBondContact O-N 3.4Å; P531-V534 HydrophobicContact CG-CB 4.23Å; P531-V534 HydrophobicContact CG-CG2 3.72Å; P531-V534 WeakPolarHBondContact O-CB 3.42Å; P531-V534 PolarHBondContact O-N 3.19Å; P531-L535 PolarHBondContact O-N 2.58Å; P531-L535 VanDerWaalsContact O-N 3.07Å
532	S	94.7	Very high	93.6	Very high	77 Å²	77	44.1 Å²	44.1	54%	0.538	25%	0.251	S	S	.	.	H	α-helix	trans	-56.3	-41.7	-176.3	53	0	0	0	0	113.7	V534 L535 D536	S532-V534 PolarHBondContact O-N 2.86Å; S532-L535 WeakPolarHBondContact O-CB 3.32Å; S532-L535 PolarHBondContact O-N 3.35Å; S532-D536 PolarHBondContact O-N 3.32Å
533	W	95.4	Very high	93.4	Very high	11 Å²	11	44.8 Å²	44.8	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-23.9	178.8	68.3	-97.4	0	0	0	112.9	I15 V17 L425 E427 C430 F431 L459 P531 I537	I15-W533 PolarHBondContact O-NE1 3.28Å; V17-W533 HydrophobicContact CB-CH2 4.48Å; V17-W533 HydrophobicContact CG2-CH2 4.01Å; V17-W533 HydrophobicContact CG2-CZ2 3.91Å; L425-W533 HydrophobicContact CB-CH2 4.2Å; E427-W533 HydrophobicContact CB-CD2 4.1Å; E427-W533 HydrophobicContact CB-CG 3.92Å; E427-W533 HydrophobicContact CG-CB 3.88Å; E427-W533 HydrophobicContact CG-CD2 4.38Å; E427-W533 HydrophobicContact CG-CG 3.8Å; C430-W533 HydrophobicContact CB-CH2 4.49Å; C430-W533 HydrophobicContact CB-CZ3 3.96Å; F431-W533 AromaticContact CE2-CE3 3.74Å; F431-W533 HydrophobicContact CE2-CE3 3.74Å; F431-W533 HydrophobicContact CE2-CZ3 4.41Å; F431-W533 AromaticContact CZ-CE3 3.57Å; F431-W533 HydrophobicContact CZ-CE3 3.57Å; F431-W533 HydrophobicContact CZ-CZ3 4.01Å; L459-W533 HydrophobicContact CD1-CE3 4.25Å; L459-W533 HydrophobicContact CD1-CZ3 3.66Å; L459-W533 HydrophobicContact CD2-CH2 4.37Å; L459-W533 HydrophobicContact CD2-CZ3 4.3Å; P531-W533 VanDerWaalsContact C-N 3.33Å; P531-W533 HydrophobicContact CG-CD2 4.43Å; P531-W533 HydrophobicContact CG-CG 4.46Å; P531-W533 HydrophobicContact CG-CZ2 4.17Å; P531-W533 PolarHBondContact O-N 3.4Å; W533-I537 WeakPolarHBondContact O-CG1 3.33Å
534	V	96.9	Very high	93.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-82.6	-43.9	171.1	176.6	0	0	0	0	110.2	V17 L459 L463 V530 P531 S532 D536 I537 V538	V17-V534 HydrophobicContact CG2-CG2 3.88Å; L459-V534 HydrophobicContact CD1-CG2 4.36Å; L459-V534 HydrophobicContact CD2-CG1 4.27Å; L459-V534 HydrophobicContact CD2-CG2 4.06Å; L463-V534 HydrophobicContact CD1-CG1 3.64Å; V530-V534 HydrophobicContact CG1-CB 3.79Å; V530-V534 HydrophobicContact CG1-CG1 3.66Å; P531-V534 HydrophobicContact CG-CB 4.23Å; P531-V534 HydrophobicContact CG-CG2 3.72Å; P531-V534 WeakPolarHBondContact O-CB 3.42Å; P531-V534 PolarHBondContact O-N 3.19Å; S532-V534 PolarHBondContact O-N 2.86Å; V534-D536 VanDerWaalsContact C-N 3.26Å; V534-D536 PolarHBondContact O-N 3.41Å; V534-I537 WeakPolarHBondContact O-CB 3.44Å; V534-I537 PolarHBondContact O-N 3.4Å; V534-V538 HydrophobicContact CG1-CG1 4.03Å; V534-V538 HydrophobicContact CG1-CG2 4.06Å; V534-V538 VanDerWaalsContact O-CG2 3.32Å; V534-V538 WeakPolarHBondContact O-CG2 3.3Å; V534-V538 PolarHBondContact O-N 3.36Å
535	L	95.1	Very high	92.9	Very high	44 Å²	44	51.2 Å²	51.2	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-55.4	-42.3	177.3	-65.6	177.5	0	0	0	112	W466 V530 P531 S532 I537 V538 V539 N540	W466-L535 HydrophobicContact CH2-CD2 3.56Å; W466-L535 HydrophobicContact CZ3-CD2 3.75Å; V530-L535 HydrophobicContact CB-CD2 4.25Å; V530-L535 HydrophobicContact CG1-CD2 3.69Å; V530-L535 HydrophobicContact CG1-CG 3.99Å; P531-L535 PolarHBondContact O-N 2.58Å; P531-L535 VanDerWaalsContact O-N 3.07Å; S532-L535 WeakPolarHBondContact O-CB 3.32Å; S532-L535 PolarHBondContact O-N 3.35Å; L535-I537 PolarHBondContact O-N 3.13Å; L535-V538 PolarHBondContact O-N 2.85Å; L535-V539 HydrophobicContact CD2-CG2 4.16Å; L535-V539 WeakPolarHBondContact O-CA 3.32Å; L535-V539 WeakPolarHBondContact O-CB 3.24Å; L535-V539 PolarHBondContact O-N 2.84Å; L535-N540 PolarHBondContact O-N 3.26Å
536	D	94.1	Very high	92.6	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-34.6	177.7	-74.4	-25.9	0	0	0	111.9	S532 V534 N540 K541 A542	S532-D536 PolarHBondContact O-N 3.32Å; V534-D536 VanDerWaalsContact C-N 3.26Å; V534-D536 PolarHBondContact O-N 3.41Å; D536-N540 CarbonylContact O-C 3.54Å; D536-N540 VanDerWaalsContact O-C 3.31Å; D536-N540 WeakPolarHBondContact O-CB 3.29Å; D536-N540 PolarHBondContact O-N 3.4Å; D536-N540 PolarHBondContact OD1-ND2 3.36Å; D536-K541 PolarHBondContact O-N 3.41Å; D536-A542 HydrophobicContact CB-CB 4.46Å; D536-A542 PolarHBondContact O-N 3.04Å
537	I	94.7	Very high	92.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-87	-49.7	-177.6	-59.7	-58.9	0	0	0	112.9	F431 L459 Q460 W533 V534 L535 A542 M543	F431-I537 HydrophobicContact CD1-CD1 4.34Å; F431-I537 HydrophobicContact CE1-CD1 3.67Å; F431-I537 HydrophobicContact CE1-CG1 3.53Å; F431-I537 HydrophobicContact CE2-CG1 4.42Å; F431-I537 HydrophobicContact CZ-CD1 3.76Å; F431-I537 HydrophobicContact CZ-CG1 3.39Å; L459-I537 HydrophobicContact CB-CG2 4.27Å; L459-I537 HydrophobicContact CD1-CB 4.44Å; L459-I537 HydrophobicContact CD1-CG1 4.42Å; L459-I537 HydrophobicContact CD1-CG2 4.3Å; Q460-I537 HydrophobicContact CG-CG2 4.07Å; Q460-I537 PolarHBondContact NE2-O 3.36Å; W533-I537 WeakPolarHBondContact O-CG1 3.33Å; V534-I537 WeakPolarHBondContact O-CB 3.44Å; V534-I537 PolarHBondContact O-N 3.4Å; L535-I537 PolarHBondContact O-N 3.13Å; I537-A542 WeakPolarHBondContact CD1-O 3.45Å; I537-M543 HydrophobicContact CB-CE 4.24Å; I537-M543 HydrophobicContact CD1-CE 3.51Å; I537-M543 HydrophobicContact CD1-SD 4.05Å; I537-M543 HydrophobicContact CG1-CE 4.26Å; I537-M543 HydrophobicContact CG2-CE 3.42Å; I537-M543 VanDerWaalsContact CG2-CE 3.42Å
538	V	94.1	Very high	92.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-83.7	-32.7	-169.5	-57.6	0	0	0	0	111.9	L459 Q460 L463 W466 T469 V534 L535 K541	L459-V538 HydrophobicContact CB-CG1 3.86Å; L459-V538 WeakPolarHBondContact O-CG1 3.36Å; Q460-V538 HydrophobicContact CG-CG1 4.31Å; L463-V538 HydrophobicContact CB-CG1 4.44Å; L463-V538 HydrophobicContact CD1-CG1 4.13Å; L463-V538 HydrophobicContact CD1-CG2 4.08Å; W466-V538 HydrophobicContact CE3-CG2 4.4Å; W466-V538 HydrophobicContact CZ3-CG2 4.17Å; T469-V538 HydrophobicContact CG2-CB 3.91Å; T469-V538 HydrophobicContact CG2-CG2 4.12Å; V534-V538 HydrophobicContact CG1-CG1 4.03Å; V534-V538 HydrophobicContact CG1-CG2 4.06Å; V534-V538 VanDerWaalsContact O-CG2 3.32Å; V534-V538 WeakPolarHBondContact O-CG2 3.3Å; V534-V538 PolarHBondContact O-N 3.36Å; L535-V538 PolarHBondContact O-N 2.85Å; V538-K541 PolarHBondContact O-NZ 3.13Å
539	V	92.1	Very high	92.1	Very high	22 Å²	22	53.1 Å²	53.1	13%	0.133	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-61.2	177.8	-174	0	0	0	0	110.5	W466 R468 V472 L535 K541	W466-V539 HydrophobicContact CZ3-CG2 3.99Å; R468-V539 HydrophobicContact CB-CG2 4.06Å; V472-V539 WeakPolarHBondContact CG1-O 3.14Å; V472-V539 HydrophobicContact CG2-CG1 4.35Å; V472-V539 WeakPolarHBondContact CG2-O 3.48Å; L535-V539 HydrophobicContact CD2-CG2 4.16Å; L535-V539 WeakPolarHBondContact O-CA 3.32Å; L535-V539 WeakPolarHBondContact O-CB 3.24Å; L535-V539 PolarHBondContact O-N 2.84Å; V539-K541 PolarHBondContact O-N 2.99Å
540	N	91.6	Very high	92.2	Very high	95 Å²	95	53.6 Å²	53.6	51%	0.508	28%	0.278	S	S	.	.	S	Bend	trans	-76.4	-8.5	-171.4	-53.9	-31.8	0	0	0	113.6	L535 D536 A542	L535-N540 PolarHBondContact O-N 3.26Å; D536-N540 CarbonylContact O-C 3.54Å; D536-N540 VanDerWaalsContact O-C 3.31Å; D536-N540 WeakPolarHBondContact O-CB 3.29Å; D536-N540 PolarHBondContact O-N 3.4Å; D536-N540 PolarHBondContact OD1-ND2 3.36Å; N540-A542 HydrophobicContact CB-CB 4.26Å; N540-A542 PolarHBondContact O-N 3.43Å
541	K	88.2	Confident	92.1	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.187	28%	0.276	C	S	.	.			trans	50.5	28.7	-175.5	-51.5	-56.4	-172.9	-172.9	0	113.4	V472 D536 V538 V539 M543	V472-K541 HydrophobicContact CG1-CG 3.77Å; D536-K541 PolarHBondContact O-N 3.41Å; V538-K541 PolarHBondContact O-NZ 3.13Å; V539-K541 PolarHBondContact O-N 2.99Å; K541-M543 PolarHBondContact O-N 2.87Å
542	A	91.2	Very high	92.1	Very high	52 Å²	52	54.8 Å²	54.8	43%	0.43	28%	0.28	S	S	.	.			trans	-90.6	82.2	-177.2	0	0	0	0	0	110.6	D536 I537 N540	D536-A542 HydrophobicContact CB-CB 4.46Å; D536-A542 PolarHBondContact O-N 3.04Å; I537-A542 WeakPolarHBondContact CD1-O 3.45Å; N540-A542 HydrophobicContact CB-CB 4.26Å; N540-A542 PolarHBondContact O-N 3.43Å
543	M	89.9	Confident	92	Very high	71 Å²	71	51.6 Å²	51.6	35%	0.35	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62.5	140.3	172.7	-83	-64.7	130.7	0	0	111.6	W434 N453 G456 I537 K541	W434-M543 HydrophobicContact CH2-CB 4.07Å; W434-M543 HydrophobicContact CH2-CG 4.28Å; W434-M543 HydrophobicContact CH2-SD 4.38Å; W434-M543 HydrophobicContact CZ2-CB 4.45Å; N453-M543 HydrophobicContact CB-SD 3.95Å; G456-M543 VanDerWaalsContact CA-CE 3.48Å; I537-M543 HydrophobicContact CB-CE 4.24Å; I537-M543 HydrophobicContact CD1-CE 3.51Å; I537-M543 HydrophobicContact CD1-SD 4.05Å; I537-M543 HydrophobicContact CG1-CE 4.26Å; I537-M543 HydrophobicContact CG2-CE 3.42Å; I537-M543 VanDerWaalsContact CG2-CE 3.42Å; K541-M543 PolarHBondContact O-N 2.87Å
544	P	87.2	Confident	91.8	Very high	48 Å²	48	52.6 Å²	52.6	31%	0.312	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-61.8	161	174	-24.9	36.5	0	0	0	112.6	F431 W434	F431-P544 HydrophobicContact CB-CB 4.46Å; F431-P544 HydrophobicContact CB-CG 3.81Å; F431-P544 HydrophobicContact CD1-CG 4.27Å; F431-P544 HydrophobicContact CD2-CG 3.73Å; F431-P544 HydrophobicContact CE2-CG 4.36Å; F431-P544 HydrophobicContact CG-CG 3.66Å; W434-P544 VanDerWaalsContact CZ2-O 3.25Å; W434-P544 WeakPolarHBondContact CZ2-O 3.29Å
545	K	87.3	Confident	91.5	Very high	195 Å²	195	53.3 Å²	53.3	85%	0.848	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-70.7	151	175.1	-64.9	-178.8	-178	176.6	0	110.8
546	Y	86.3	Confident	91.2	Very high	103 Å²	103	52.5 Å²	52.5	40%	0.404	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.8	173.9	-55.8	-69.4	0	0	0	112.3	W434 K451	W434-Y546 AromaticContact CD2-CD1 3.7Å; W434-Y546 HydrophobicContact CD2-CD1 3.7Å; W434-Y546 AromaticContact CD2-CE1 3.76Å; W434-Y546 HydrophobicContact CD2-CE1 3.76Å; W434-Y546 AromaticContact CE2-CD1 3.94Å; W434-Y546 AromaticContact CE3-CD1 3.89Å; W434-Y546 HydrophobicContact CE3-CD1 3.89Å; W434-Y546 AromaticContact CE3-CE1 3.42Å; W434-Y546 HydrophobicContact CE3-CE1 3.42Å; W434-Y546 VanDerWaalsContact CE3-CE1 3.42Å; W434-Y546 HydrophobicContact CG-CD1 4.13Å; W434-Y546 HydrophobicContact CH2-CD1 4.44Å; W434-Y546 AromaticContact CH2-CE1 3.9Å; W434-Y546 HydrophobicContact CH2-CE1 3.9Å; W434-Y546 HydrophobicContact CZ2-CD1 4.32Å; W434-Y546 HydrophobicContact CZ2-CE1 4.24Å; W434-Y546 HydrophobicContact CZ3-CD1 4.25Å; W434-Y546 AromaticContact CZ3-CE1 3.49Å; W434-Y546 HydrophobicContact CZ3-CE1 3.49Å; W434-Y546 VanDerWaalsContact CZ3-CE1 3.49Å; K451-Y546 HydrophobicContact CB-CE1 3.83Å; K451-Y546 HydrophobicContact CD-CD1 4.15Å; K451-Y546 HydrophobicContact CD-CE1 3.54Å; K451-Y546 HydrophobicContact CG-CE1 4.34Å
547	N	84.8	Confident	90.7	Very high	73 Å²	73	54 Å²	54	39%	0.39	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64	136.1	166.4	-69.7	-26.7	0	0	0	109.8	S572 D573	N547-S572 VanDerWaalsContact O-CA 3.29Å; N547-S572 WeakPolarHBondContact O-CA 3.25Å; N547-D573 PolarHBondContact O-N 2.96Å
548	K	91.8	Very high	90	Very high	149 Å²	149	57 Å²	57	65%	0.648	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	141	172.7	-66.6	-171.6	178.9	-174.9	0	110.3	A571	K548-A571 CarbonylContact C-O 3.56Å; K548-A571 WeakPolarHBondContact CA-O 3.33Å; K548-A571 WeakPolarHBondContact CB-O 3.48Å
549	I	92.6	Very high	89.1	Confident	20 Å²	20	59.2 Å²	59.2	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.4	171.2	58.4	168.9	0	0	0	110.8	S570 A571 D573 L642 K646	I549-S570 WeakPolarHBondContact O-CA 3.49Å; I549-A571 PolarHBondContact N-O 3.42Å; I549-A571 PolarHBondContact O-N 3.11Å; I549-D573 HydrophobicContact CD1-CB 4.19Å; I549-D573 HydrophobicContact CG1-CB 3.97Å; I549-D573 HydrophobicContact CG2-CB 3.89Å; I549-L642 HydrophobicContact CD1-CB 3.33Å; I549-L642 HydrophobicContact CD1-CD1 4.15Å; I549-L642 HydrophobicContact CD1-CG 4.38Å; I549-L642 HydrophobicContact CG1-CB 4.12Å; I549-L642 HydrophobicContact CG1-CD1 4.12Å; I549-K646 HydrophobicContact CD1-CD 4.43Å
550	P	95.1	Very high	88.1	Confident	29 Å²	29	65.8 Å²	65.8	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.9	169.4	31.5	-35.1	0	0	0	110.8	R568 L569 D655 L656	P550-R568 HydrophobicContact CB-CG 4.38Å; P550-L569 CarbonylContact C-O 3.6Å; P550-L569 WeakPolarHBondContact CA-O 3.22Å; P550-D655 HydrophobicContact CB-CB 4.43Å; P550-D655 HydrophobicContact CG-CB 4.36Å; P550-D655 WeakPolarHBondContact CG-OD1 3.4Å; P550-L656 PolarHBondContact O-N 2.69Å
551	F	96.1	Very high	87.1	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.8	173.3	67.8	-79.7	0	0	0	111.8	L553 L569 A571 L575 V580 L642 L656 L658	F551-L553 HydrophobicContact CD2-CD2 4.48Å; F551-L553 HydrophobicContact CD2-CG 4.27Å; F551-L553 HydrophobicContact CE2-CD1 4.18Å; F551-L553 HydrophobicContact CE2-CD2 4.23Å; F551-L553 HydrophobicContact CE2-CG 3.93Å; F551-L569 HydrophobicContact CD1-CB 4.23Å; F551-L569 HydrophobicContact CD2-CB 4.43Å; F551-L569 HydrophobicContact CE1-CB 3.8Å; F551-L569 HydrophobicContact CE2-CB 4.04Å; F551-L569 HydrophobicContact CE2-CD1 3.84Å; F551-L569 HydrophobicContact CZ-CB 3.7Å; F551-L569 HydrophobicContact CZ-CD1 3.92Å; F551-L569 HydrophobicContact CZ-CG 4.49Å; F551-L569 PolarHBondContact N-O 3.35Å; F551-L569 PolarHBondContact O-N 3.45Å; F551-A571 HydrophobicContact CE1-CB 3.8Å; F551-L575 HydrophobicContact CZ-CD2 4.49Å; F551-V580 HydrophobicContact CE2-CG1 4.45Å; F551-L642 HydrophobicContact CD1-CD1 3.73Å; F551-L642 HydrophobicContact CE1-CD1 3.73Å; F551-L642 HydrophobicContact CG-CD1 4.36Å; F551-L642 HydrophobicContact CZ-CD1 4.34Å; F551-L656 CarbonylContact C-O 3.47Å; F551-L656 WeakPolarHBondContact CA-O 3.34Å; F551-L656 HydrophobicContact CB-CB 3.85Å; F551-L656 HydrophobicContact CB-CD2 4.29Å; F551-L656 HydrophobicContact CB-CG 4.23Å; F551-L656 WeakPolarHBondContact CB-O 3.19Å; F551-L658 HydrophobicContact CD2-CD1 4.17Å
552	Y	94.7	Very high	85.9	Confident	43 Å²	43	71.5 Å²	71.5	17%	0.169	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.5	174.1	-68	-85.1	0	0	0	110.4	R566 D567 R568 D655 L656 V657 L658	Y552-R566 HydrophobicContact CD1-CG 3.56Å; Y552-R566 HydrophobicContact CE1-CG 3.88Å; Y552-R566 HydrophobicContact CG-CG 4.48Å; Y552-D567 WeakPolarHBondContact CD1-O 3.42Å; Y552-R568 HydrophobicContact CD1-CB 4.25Å; Y552-R568 HydrophobicContact CE1-CB 3.54Å; Y552-R568 HydrophobicContact CE1-CG 4.03Å; Y552-R568 HydrophobicContact CE2-CG 4.2Å; Y552-D655 HydrophobicContact CD2-CB 4Å; Y552-D655 HydrophobicContact CE2-CB 3.7Å; Y552-D655 WeakPolarHBondContact CE2-OD2 3.4Å; Y552-L656 PolarHBondContact N-O 2.87Å; Y552-V657 HydrophobicContact CD2-CG2 4.32Å; Y552-L658 PolarHBondContact O-N 2.9Å
553	L	93.3	Very high	84.6	Confident	9 Å²	9	73.7 Å²	73.7	5%	0.047	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.2	166.3	-70.3	171.7	0	0	0	109.4	F551 L569 V580 V584 I588 L629 L658 Y660	F551-L553 HydrophobicContact CD2-CD2 4.48Å; F551-L553 HydrophobicContact CD2-CG 4.27Å; F551-L553 HydrophobicContact CE2-CD1 4.18Å; F551-L553 HydrophobicContact CE2-CD2 4.23Å; F551-L553 HydrophobicContact CE2-CG 3.93Å; L553-L569 HydrophobicContact CD1-CD1 3.54Å; L553-L569 HydrophobicContact CG-CD1 4.1Å; L553-V580 HydrophobicContact CD1-CG1 4.17Å; L553-V580 HydrophobicContact CD2-CG1 3.59Å; L553-V580 HydrophobicContact CG-CG1 4.46Å; L553-V584 HydrophobicContact CD1-CG2 4.12Å; L553-V584 HydrophobicContact CD2-CG2 4.39Å; L553-I588 HydrophobicContact CB-CD1 4.42Å; L553-I588 HydrophobicContact CD1-CD1 4.15Å; L553-L629 HydrophobicContact CD2-CD2 4.37Å; L553-L658 WeakPolarHBondContact CA-O 3.31Å; L553-L658 HydrophobicContact CD2-CB 3.79Å; L553-L658 HydrophobicContact CD2-CD1 4.39Å; L553-Y660 HydrophobicContact CB-CD1 4.31Å; L553-Y660 HydrophobicContact CB-CE1 4.38Å
554	L	91.7	Very high	83.8	Confident	32 Å²	32	76.2 Å²	76.2	17%	0.168	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.6	178.4	-59.6	-179.7	0	0	0	109.9	Y564 R566 V657 L658 C659 Y660	L554-Y564 HydrophobicContact CD2-CD2 4.38Å; L554-Y564 HydrophobicContact CD2-CE2 3.88Å; L554-R566 HydrophobicContact CD2-CB 4.19Å; L554-R566 HydrophobicContact CD2-CG 3.9Å; L554-V657 HydrophobicContact CD1-CG1 3.61Å; L554-V657 HydrophobicContact CG-CG1 4.15Å; L554-L658 PolarHBondContact N-O 3.39Å; L554-C659 CarbonylContact O-C 3.58Å; L554-C659 WeakPolarHBondContact O-CA 3.25Å; L554-Y660 WeakPolarHBondContact O-CD1 3.41Å; L554-Y660 WeakPolarHBondContact O-CE1 3.41Å; L554-Y660 PolarHBondContact O-N 3.28Å
555	P	90.1	Very high	83	Confident	16 Å²	16	81.8 Å²	81.8	10%	0.104	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.6	167.4	27.9	-31.9	0	0	0	109.6	F559 L561 Y564 Y660	P555-F559 HydrophobicContact CB-CB 4.48Å; P555-F559 HydrophobicContact CB-CD1 3.89Å; P555-L561 HydrophobicContact CB-CB 4.33Å; P555-L561 HydrophobicContact CB-CD2 4.41Å; P555-Y564 VanDerWaalsContact CD-CG 3.48Å; P555-Y564 HydrophobicContact CG-CD1 3.32Å; P555-Y564 HydrophobicContact CG-CD2 3.93Å; P555-Y564 HydrophobicContact CG-CE1 3.47Å; P555-Y564 VanDerWaalsContact CG-CE1 3.47Å; P555-Y564 HydrophobicContact CG-CE2 4.09Å; P555-Y564 HydrophobicContact CG-CG 3.54Å; P555-Y660 HydrophobicContact CB-CE2 4.13Å
556	H	88.1	Confident	82.6	Confident	27 Å²	27	80 Å²	80	13%	0.125	40%	0.398	C	S	.	.			trans	-61.7	147.1	171.9	-170	-91	0	0	0	110.3	S558 F559 Y630 C659 Y660 R661	H556-S558 PolarHBondContact ND1-N 3.02Å; H556-S558 PolarHBondContact ND1-OG 2.78Å; H556-S558 PolarHBondContact O-N 3.24Å; H556-F559 HydrophobicContact CB-CB 4.46Å; H556-F559 WeakPolarHBondContact O-CA 3.43Å; H556-F559 VanDerWaalsContact O-CB 3.24Å; H556-F559 WeakPolarHBondContact O-CB 3.32Å; H556-F559 PolarHBondContact O-N 2.88Å; H556-Y630 AromaticContact CD2-CD2 3.94Å; H556-Y630 AromaticContact CD2-CG 3.93Å; H556-C659 HydrophobicContact CB-CB 4.26Å; H556-Y660 WeakPolarHBondContact CB-O 3.36Å; H556-Y660 PolarHBondContact N-O 3.39Å; H556-R661 HydrophobicContact CB-CB 3.92Å
557	A	83.2	Confident	82.4	Confident	100 Å²	100	79.6 Å²	79.6	83%	0.826	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.6	-175.3	0	0	0	0	0	114.2	F559	A557-F559 VanDerWaalsContact C-N 3.3Å
558	S	81.7	Confident	82.7	Confident	63 Å²	63	83.4 Å²	83.4	44%	0.441	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.8	174.8	63.7	0	0	0	0	114.4	H556	H556-S558 PolarHBondContact ND1-N 3.02Å; H556-S558 PolarHBondContact ND1-OG 2.78Å; H556-S558 PolarHBondContact O-N 3.24Å
559	F	75.2	Confident	82.8	Confident	47 Å²	47	78.6 Å²	78.6	21%	0.206	39%	0.392	C	S	.	.	S	Bend	trans	-93.2	100.4	179.3	-166.3	-120.8	0	0	0	109	P555 H556 A557 L561 L589 Y660 A662	P555-F559 HydrophobicContact CB-CB 4.48Å; P555-F559 HydrophobicContact CB-CD1 3.89Å; H556-F559 HydrophobicContact CB-CB 4.46Å; H556-F559 WeakPolarHBondContact O-CA 3.43Å; H556-F559 VanDerWaalsContact O-CB 3.24Å; H556-F559 WeakPolarHBondContact O-CB 3.32Å; H556-F559 PolarHBondContact O-N 2.88Å; A557-F559 VanDerWaalsContact C-N 3.3Å; F559-L561 HydrophobicContact CD1-CB 3.9Å; F559-L561 HydrophobicContact CE1-CB 3.99Å; F559-L561 HydrophobicContact CE1-CD1 4Å; F559-L561 HydrophobicContact CE1-CD2 4.16Å; F559-L561 HydrophobicContact CE1-CG 4.28Å; F559-L561 PolarHBondContact O-N 3.35Å; F559-L589 HydrophobicContact CE1-CD2 3.83Å; F559-L589 HydrophobicContact CZ-CD2 3.64Å; F559-Y660 HydrophobicContact CD1-CD2 4.42Å; F559-Y660 HydrophobicContact CD1-CE2 4.04Å; F559-Y660 HydrophobicContact CE1-CD2 4.37Å; F559-Y660 AromaticContact CE1-CE2 3.88Å; F559-Y660 HydrophobicContact CE1-CE2 3.88Å; F559-A662 HydrophobicContact CD2-CB 4.31Å; F559-A662 HydrophobicContact CE2-CB 3.54Å; F559-A662 HydrophobicContact CZ-CB 4.08Å
560	N	70.3	Confident	82.9	Confident	159 Å²	159	81.1 Å²	81.1	85%	0.85	41%	0.412	S	S	*	.			trans	-70	61.4	-178.4	-75.4	-22.8	0	0	0	112.8
561	L	70.1	Confident	82.8	Confident	45 Å²	45	80.7 Å²	80.7	24%	0.236	41%	0.41	C	S	.	.			trans	-86.8	120.3	175.6	-164	68.9	0	0	0	109.7	P555 F559 S563 Y660	P555-L561 HydrophobicContact CB-CB 4.33Å; P555-L561 HydrophobicContact CB-CD2 4.41Å; F559-L561 HydrophobicContact CD1-CB 3.9Å; F559-L561 HydrophobicContact CE1-CB 3.99Å; F559-L561 HydrophobicContact CE1-CD1 4Å; F559-L561 HydrophobicContact CE1-CD2 4.16Å; F559-L561 HydrophobicContact CE1-CG 4.28Å; F559-L561 PolarHBondContact O-N 3.35Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 2.76Å; L561-Y660 HydrophobicContact CD2-CE2 4.49Å; L561-Y660 WeakPolarHBondContact CD2-OH 3.49Å
562	K	62.5	Low	82.7	Confident	213 Å²	213	81.2 Å²	81.2	93%	0.926	42%	0.415	S	S	*	.	S	Bend	trans	-68.3	-22.5	-172.1	-67.2	-177.6	179.2	178.1	0	114.5
563	S	65.6	Low	82.5	Confident	99 Å²	99	79.6 Å²	79.6	69%	0.692	41%	0.409	S	S	*	.			trans	-155.8	135.6	-178	166.1	0	0	0	0	109.5	L561	L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 2.76Å
564	Y	71.1	Confident	82.4	Confident	124 Å²	124	79.9 Å²	79.9	49%	0.486	41%	0.411	S	S	.	.			trans	-150.3	151.5	171.8	63.8	-86.2	0	0	0	110.7	L554 P555	L554-Y564 HydrophobicContact CD2-CD2 4.38Å; L554-Y564 HydrophobicContact CD2-CE2 3.88Å; P555-Y564 VanDerWaalsContact CD-CG 3.48Å; P555-Y564 HydrophobicContact CG-CD1 3.32Å; P555-Y564 HydrophobicContact CG-CD2 3.93Å; P555-Y564 HydrophobicContact CG-CE1 3.47Å; P555-Y564 VanDerWaalsContact CG-CE1 3.47Å; P555-Y564 HydrophobicContact CG-CE2 4.09Å; P555-Y564 HydrophobicContact CG-CG 3.54Å
565	K	72	Confident	82.5	Confident	164 Å²	164	80.5 Å²	80.5	71%	0.713	41%	0.414	S	S	*	.			trans	-95.6	136	172.2	-70.4	-175.1	179.5	177.8	0	110	D567	K565-D567 PolarHBondContact O-N 3.12Å
566	R	78.7	Confident	82.6	Confident	159 Å²	159	81.9 Å²	81.9	60%	0.6	42%	0.419	S	S	*	.			trans	-85.4	81.9	170.6	-178.2	173.1	-178.2	-173.3	3.1	109	Y552 L554	Y552-R566 HydrophobicContact CD1-CG 3.56Å; Y552-R566 HydrophobicContact CE1-CG 3.88Å; Y552-R566 HydrophobicContact CG-CG 4.48Å; L554-R566 HydrophobicContact CD2-CB 4.19Å; L554-R566 HydrophobicContact CD2-CG 3.9Å
567	D	81.7	Confident	82.9	Confident	93 Å²	93	80.7 Å²	80.7	50%	0.497	41%	0.413	S	S	.	.			trans	-88.3	132	179.1	-67.8	-23.2	0	0	0	111.1	Y552 K565 L569	Y552-D567 WeakPolarHBondContact CD1-O 3.42Å; K565-D567 PolarHBondContact O-N 3.12Å; D567-L569 PolarHBondContact O-N 3.01Å
568	R	91.9	Very high	83.4	Confident	153 Å²	153	81.7 Å²	81.7	58%	0.577	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	103.2	172.2	-169.5	-173.5	-170.7	-155.6	2.8	108.7	P550 Y552 D655	P550-R568 HydrophobicContact CB-CG 4.38Å; Y552-R568 HydrophobicContact CD1-CB 4.25Å; Y552-R568 HydrophobicContact CE1-CB 3.54Å; Y552-R568 HydrophobicContact CE1-CG 4.03Å; Y552-R568 HydrophobicContact CE2-CG 4.2Å; R568-D655 IonicContact CZ-OD1 2.84Å; R568-D655 IonicContact CZ-OD2 2.91Å; R568-D655 VanDerWaalsContact CZ-OD2 3.22Å; R568-D655 IonicContact NE-OD1 2.73Å; R568-D655 IonicContact NE-OD2 3.99Å; R568-D655 PolarHBondContact NE-OD2 3.22Å; R568-D655 IonicContact NH2-OD1 3.44Å; R568-D655 PolarHBondContact NH2-OD1 2.92Å; R568-D655 IonicContact NH2-OD2 3.94Å; R568-D655 PolarHBondContact NH2-OD2 3.11Å
569	L	93.8	Very high	83.9	Confident	48 Å²	48	83.4 Å²	83.4	25%	0.251	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	159.6	176.7	-60.2	178.7	0	0	0	110.8	P550 F551 L553 D567	P550-L569 CarbonylContact C-O 3.6Å; P550-L569 WeakPolarHBondContact CA-O 3.22Å; F551-L569 HydrophobicContact CD1-CB 4.23Å; F551-L569 HydrophobicContact CD2-CB 4.43Å; F551-L569 HydrophobicContact CE1-CB 3.8Å; F551-L569 HydrophobicContact CE2-CB 4.04Å; F551-L569 HydrophobicContact CE2-CD1 3.84Å; F551-L569 HydrophobicContact CZ-CB 3.7Å; F551-L569 HydrophobicContact CZ-CD1 3.92Å; F551-L569 HydrophobicContact CZ-CG 4.49Å; F551-L569 PolarHBondContact N-O 3.35Å; F551-L569 PolarHBondContact O-N 3.45Å; L553-L569 HydrophobicContact CD1-CD1 3.54Å; L553-L569 HydrophobicContact CG-CD1 4.1Å; D567-L569 PolarHBondContact O-N 3.01Å
570	S	93.8	Very high	84.8	Confident	74 Å²	74	81.2 Å²	81.2	52%	0.517	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	125.1	172.7	-176.1	0	0	0	0	109.9	I549	I549-S570 WeakPolarHBondContact O-CA 3.49Å
571	A	94.2	Very high	85.9	Confident	19 Å²	19	73.9 Å²	73.9	16%	0.157	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	170.2	179.5	0	0	0	0	0	110.7	K548 I549 F551 D573 L575 L642	K548-A571 CarbonylContact C-O 3.56Å; K548-A571 WeakPolarHBondContact CA-O 3.33Å; K548-A571 WeakPolarHBondContact CB-O 3.48Å; I549-A571 PolarHBondContact N-O 3.42Å; I549-A571 PolarHBondContact O-N 3.11Å; F551-A571 HydrophobicContact CE1-CB 3.8Å; A571-D573 PolarHBondContact O-N 3.13Å; A571-L575 HydrophobicContact CB-CB 4.21Å; A571-L575 HydrophobicContact CB-CD2 3.62Å; A571-L575 HydrophobicContact CB-CG 4.43Å; A571-L642 HydrophobicContact CB-CD1 4.38Å
572	S	92.3	Very high	86.9	Confident	18 Å²	18	73.4 Å²	73.4	13%	0.126	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	137.7	167.8	174.6	0	0	0	0	109.3	K451 N547 M574 L575	K451-S572 PolarHBondContact NZ-OG 3.03Å; N547-S572 VanDerWaalsContact O-CA 3.29Å; N547-S572 WeakPolarHBondContact O-CA 3.25Å; S572-M574 PolarHBondContact O-N 3.23Å; S572-M574 PolarHBondContact OG-N 2.87Å; S572-L575 WeakPolarHBondContact O-CB 3.13Å; S572-L575 PolarHBondContact O-N 2.79Å
573	D	92.1	Very high	88.3	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.048	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.3	176.9	69	-20.6	0	0	0	113.8	N547 I549 A571 L575 L642 R643	N547-D573 PolarHBondContact O-N 2.96Å; I549-D573 HydrophobicContact CD1-CB 4.19Å; I549-D573 HydrophobicContact CG1-CB 3.97Å; I549-D573 HydrophobicContact CG2-CB 3.89Å; A571-D573 PolarHBondContact O-N 3.13Å; D573-L575 VanDerWaalsContact C-N 3.27Å; D573-L575 PolarHBondContact O-N 2.82Å; D573-L642 PolarHBondContact O-N 2.75Å; D573-R643 HydrophobicContact CB-CB 4.13Å; D573-R643 PolarHBondContact O-N 3.04Å; D573-R643 IonicContact OD1-CZ 3.52Å; D573-R643 IonicContact OD1-NE 3.92Å; D573-R643 IonicContact OD1-NH2 2.79Å; D573-R643 PolarHBondContact OD1-NH2 3.33Å; D573-R643 IonicContact OD2-CZ 3.74Å; D573-R643 VanDerWaalsContact OD2-CZ 3.25Å; D573-R643 IonicContact OD2-NE 3.24Å; D573-R643 PolarHBondContact OD2-NE 2.85Å; D573-R643 IonicContact OD2-NH2 2.79Å; D573-R643 PolarHBondContact OD2-NH2 2.87Å
574	M	91	Very high	89.4	Confident	15 Å²	15	61.8 Å²	61.8	7%	0.074	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	5.9	168.5	-63.5	-62.5	-55.3	0	0	113.8	W434 K451 S572 Q576 R643	W434-M574 HydrophobicContact CB-CG 4.09Å; W434-M574 HydrophobicContact CB-SD 4.44Å; K451-M574 HydrophobicContact CD-CB 4.48Å; S572-M574 PolarHBondContact O-N 3.23Å; S572-M574 PolarHBondContact OG-N 2.87Å; M574-Q576 PolarHBondContact O-N 2.92Å; M574-R643 PolarHBondContact SD-NE 2.91Å; M574-R643 VanDerWaalsContact SD-NE 3.36Å; M574-R643 PolarHBondContact SD-NH1 2.68Å; M574-R643 PolarHBondContact SD-NH2 2.75Å
575	L	92.8	Very high	90.2	Very high	45 Å²	45	58.7 Å²	58.7	24%	0.236	27%	0.269	C	S	.	.			trans	-65.8	121	177.3	-174.3	73.5	0	0	0	108.8	F551 A571 S572 D573 K579 V580 D641 L642	F551-L575 HydrophobicContact CZ-CD2 4.49Å; A571-L575 HydrophobicContact CB-CB 4.21Å; A571-L575 HydrophobicContact CB-CD2 3.62Å; A571-L575 HydrophobicContact CB-CG 4.43Å; S572-L575 WeakPolarHBondContact O-CB 3.13Å; S572-L575 PolarHBondContact O-N 2.79Å; D573-L575 VanDerWaalsContact C-N 3.27Å; D573-L575 PolarHBondContact O-N 2.82Å; L575-K579 HydrophobicContact CD1-CB 3.57Å; L575-K579 HydrophobicContact CD1-CG 4.14Å; L575-K579 HydrophobicContact CG-CB 4.1Å; L575-V580 HydrophobicContact CD2-CG2 3.73Å; L575-V580 HydrophobicContact CG-CG2 4.29Å; L575-D641 VanDerWaalsContact O-CA 3.32Å; L575-D641 WeakPolarHBondContact O-CA 3.39Å; L575-L642 HydrophobicContact CB-CD1 3.97Å; L575-L642 HydrophobicContact CB-CG 4.11Å; L575-L642 HydrophobicContact CD2-CD1 4.22Å; L575-L642 WeakPolarHBondContact O-CG 3.49Å; L575-L642 PolarHBondContact O-N 2.85Å
576	Q	92.7	Very high	90.9	Very high	46 Å²	46	54.9 Å²	54.9	22%	0.215	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-70.8	148	177.6	-74.4	176.1	-14.7	0	0	111.5	M574 R578 K579 V580 M640	M574-Q576 PolarHBondContact O-N 2.92Å; Q576-R578 HydrophobicContact CB-CB 4.49Å; Q576-R578 PolarHBondContact O-N 3.2Å; Q576-K579 WeakPolarHBondContact O-CB 3.24Å; Q576-K579 PolarHBondContact O-N 3.19Å; Q576-V580 PolarHBondContact O-N 2.98Å; Q576-M640 CarbonylContact C-O 3.4Å; Q576-M640 VanDerWaalsContact CA-O 3.28Å; Q576-M640 WeakPolarHBondContact CA-O 3.46Å
577	V	94.3	Very high	91.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-52.4	-41.9	172.2	171.3	0	0	0	0	110.4	K579 V580 I581 L629 L636 D637 M640 I645	V577-K579 VanDerWaalsContact C-N 3.27Å; V577-K579 PolarHBondContact O-N 2.83Å; V577-V580 CarbonylContact O-C 3.57Å; V577-V580 WeakPolarHBondContact O-CA 3.38Å; V577-V580 WeakPolarHBondContact O-CB 3.39Å; V577-V580 PolarHBondContact O-N 2.96Å; V577-I581 HydrophobicContact CG1-CD1 4.16Å; V577-I581 HydrophobicContact CG1-CG1 4.35Å; V577-I581 WeakPolarHBondContact O-CG1 3.43Å; V577-I581 PolarHBondContact O-N 2.95Å; V577-L629 HydrophobicContact CG1-CB 4.14Å; V577-L629 HydrophobicContact CG1-CD1 3.71Å; V577-L629 HydrophobicContact CG1-CG 4.46Å; V577-L636 HydrophobicContact CG1-CB 4.1Å; V577-L636 HydrophobicContact CG2-CB 4.17Å; V577-L636 HydrophobicContact CG2-CD1 4.36Å; V577-D637 WeakPolarHBondContact CB-O 3.35Å; V577-M640 HydrophobicContact CG2-CB 4.08Å; V577-M640 WeakPolarHBondContact CG2-O 3.2Å; V577-M640 PolarHBondContact N-O 3.07Å; V577-I645 HydrophobicContact CG2-CD1 3.37Å; V577-I645 HydrophobicContact CG2-CG1 4.49Å
578	R	92.7	Very high	91	Very high	122 Å²	122	50.4 Å²	50.4	46%	0.46	24%	0.236	S	C	.	.	H	α-helix	trans	-48.4	-46	172.7	178.9	179.5	-71.6	-157.4	-6.4	113.2	Q576 V580 I581 E582 E624 P638	Q576-R578 HydrophobicContact CB-CB 4.49Å; Q576-R578 PolarHBondContact O-N 3.2Å; R578-V580 VanDerWaalsContact C-N 3.31Å; R578-V580 PolarHBondContact O-N 3.12Å; R578-I581 WeakPolarHBondContact O-CB 3.24Å; R578-I581 PolarHBondContact O-N 3.35Å; R578-I581 VanDerWaalsContact O-N 3.16Å; R578-E582 WeakPolarHBondContact O-CG 3.46Å; R578-E582 PolarHBondContact O-N 2.76Å; R578-E624 IonicContact CZ-OE1 2.95Å; R578-E624 IonicContact NE-OE1 3.17Å; R578-E624 PolarHBondContact NE-OE1 3.4Å; R578-E624 IonicContact NH2-OE1 3.84Å; R578-E624 PolarHBondContact NH2-OE1 2.61Å; R578-E624 IonicContact NH2-OE2 3.52Å; R578-E624 PolarHBondContact NH2-OE2 3.43Å; R578-P638 HydrophobicContact CB-CB 4.26Å; R578-P638 PolarHBondContact N-O 3.13Å
579	K	92.4	Very high	90.3	Very high	98 Å²	98	44.1 Å²	44.1	43%	0.426	21%	0.213	S	C	.	.	H	α-helix	trans	-69.8	-28.7	178.3	-69.6	-52	-169.1	-169.8	0	113.1	L575 Q576 V577 E582 H583	L575-K579 HydrophobicContact CD1-CB 3.57Å; L575-K579 HydrophobicContact CD1-CG 4.14Å; L575-K579 HydrophobicContact CG-CB 4.1Å; Q576-K579 WeakPolarHBondContact O-CB 3.24Å; Q576-K579 PolarHBondContact O-N 3.19Å; V577-K579 VanDerWaalsContact C-N 3.27Å; V577-K579 PolarHBondContact O-N 2.83Å; K579-E582 WeakPolarHBondContact CD-OE1 3.48Å; K579-E582 WeakPolarHBondContact CD-OE2 3.42Å; K579-E582 WeakPolarHBondContact CE-OE2 3.4Å; K579-E582 IonicContact NZ-OE1 3.99Å; K579-E582 PolarHBondContact NZ-OE1 3.42Å; K579-E582 IonicContact NZ-OE2 2.7Å; K579-E582 PolarHBondContact NZ-OE2 3.07Å; K579-H583 PolarHBondContact O-N 3.32Å; K579-H583 VanDerWaalsContact O-N 3.09Å
580	V	94.3	Very high	89.2	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-39	171	-174	0	0	0	0	110.2	F551 L553 L575 Q576 V577 R578 H583 V584 L629 L642 L658	F551-V580 HydrophobicContact CE2-CG1 4.45Å; L553-V580 HydrophobicContact CD1-CG1 4.17Å; L553-V580 HydrophobicContact CD2-CG1 3.59Å; L553-V580 HydrophobicContact CG-CG1 4.46Å; L575-V580 HydrophobicContact CD2-CG2 3.73Å; L575-V580 HydrophobicContact CG-CG2 4.29Å; Q576-V580 PolarHBondContact O-N 2.98Å; V577-V580 CarbonylContact O-C 3.57Å; V577-V580 WeakPolarHBondContact O-CA 3.38Å; V577-V580 WeakPolarHBondContact O-CB 3.39Å; V577-V580 PolarHBondContact O-N 2.96Å; R578-V580 VanDerWaalsContact C-N 3.31Å; R578-V580 PolarHBondContact O-N 3.12Å; V580-H583 WeakPolarHBondContact O-CB 3.44Å; V580-H583 PolarHBondContact O-N 2.9Å; V580-V584 VanDerWaalsContact O-CG2 3.29Å; V580-V584 WeakPolarHBondContact O-CG2 3.35Å; V580-V584 PolarHBondContact O-N 3.4Å; V580-L629 HydrophobicContact CB-CD1 3.6Å; V580-L629 HydrophobicContact CG1-CD1 3.55Å; V580-L629 HydrophobicContact CG1-CD2 4.38Å; V580-L642 HydrophobicContact CG2-CD2 4.14Å; V580-L658 HydrophobicContact CG1-CD1 4.27Å
581	I	93.6	Very high	87.9	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-47.8	174.7	-62.4	173.5	0	0	0	110.7	V577 R578 H583 V584 Y585 L623 I627 L629 P638	V577-I581 HydrophobicContact CG1-CD1 4.16Å; V577-I581 HydrophobicContact CG1-CG1 4.35Å; V577-I581 WeakPolarHBondContact O-CG1 3.43Å; V577-I581 PolarHBondContact O-N 2.95Å; R578-I581 WeakPolarHBondContact O-CB 3.24Å; R578-I581 PolarHBondContact O-N 3.35Å; R578-I581 VanDerWaalsContact O-N 3.16Å; I581-H583 VanDerWaalsContact C-N 3.29Å; I581-H583 PolarHBondContact O-N 3.41Å; I581-V584 PolarHBondContact O-N 3.25Å; I581-Y585 PolarHBondContact O-N 2.8Å; I581-L623 HydrophobicContact CB-CD2 4.46Å; I581-L623 HydrophobicContact CG2-CD2 3.7Å; I581-L623 HydrophobicContact CG2-CG 4.1Å; I581-I627 HydrophobicContact CG2-CB 3.64Å; I581-I627 HydrophobicContact CG2-CD1 4.11Å; I581-I627 HydrophobicContact CG2-CG1 4.44Å; I581-I627 HydrophobicContact CG2-CG2 3.82Å; I581-L629 HydrophobicContact CG1-CD1 3.59Å; I581-L629 HydrophobicContact CG1-CG 3.96Å; I581-P638 HydrophobicContact CD1-CG 4.38Å
582	E	92.2	Very high	86.3	Confident	36 Å²	36	45.5 Å²	45.5	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-54.7	-45.9	173.9	-68.3	173.2	-160.9	0	0	111.3	R578 K579 V584 Y585 E586 L619 L623	R578-E582 WeakPolarHBondContact O-CG 3.46Å; R578-E582 PolarHBondContact O-N 2.76Å; K579-E582 WeakPolarHBondContact CD-OE1 3.48Å; K579-E582 WeakPolarHBondContact CD-OE2 3.42Å; K579-E582 WeakPolarHBondContact CE-OE2 3.4Å; K579-E582 IonicContact NZ-OE1 3.99Å; K579-E582 PolarHBondContact NZ-OE1 3.42Å; K579-E582 IonicContact NZ-OE2 2.7Å; K579-E582 PolarHBondContact NZ-OE2 3.07Å; E582-V584 PolarHBondContact O-N 2.79Å; E582-Y585 PolarHBondContact O-N 2.85Å; E582-E586 WeakPolarHBondContact O-CG 3.45Å; E582-E586 PolarHBondContact O-N 2.87Å; E582-L619 HydrophobicContact CB-CD1 4.45Å; E582-L619 HydrophobicContact CB-CD2 4.48Å; E582-L619 HydrophobicContact CG-CD1 3.88Å; E582-L619 HydrophobicContact CG-CD2 4.38Å; E582-L623 HydrophobicContact CB-CD2 4.31Å; E582-L623 HydrophobicContact CG-CD2 3.87Å
583	H	90.7	Very high	84.6	Confident	67 Å²	67	50 Å²	50	31%	0.31	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-43.3	176.8	-178	80.7	0	0	0	112.9	K579 V580 I581 Y585 K587	K579-H583 PolarHBondContact O-N 3.32Å; K579-H583 VanDerWaalsContact O-N 3.09Å; V580-H583 WeakPolarHBondContact O-CB 3.44Å; V580-H583 PolarHBondContact O-N 2.9Å; I581-H583 VanDerWaalsContact C-N 3.29Å; I581-H583 PolarHBondContact O-N 3.41Å; H583-Y585 VanDerWaalsContact C-N 3.35Å; H583-K587 VanDerWaalsContact O-CB 3.29Å; H583-K587 WeakPolarHBondContact O-CB 3.44Å; H583-K587 PolarHBondContact O-N 3.38Å
584	V	89.6	Confident	82.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-44.4	176.3	174.5	0	0	0	0	110.8	L553 V580 I581 E582 I588 L589 I627 L629 Y660	L553-V584 HydrophobicContact CD1-CG2 4.12Å; L553-V584 HydrophobicContact CD2-CG2 4.39Å; V580-V584 VanDerWaalsContact O-CG2 3.29Å; V580-V584 WeakPolarHBondContact O-CG2 3.35Å; V580-V584 PolarHBondContact O-N 3.4Å; I581-V584 PolarHBondContact O-N 3.25Å; E582-V584 PolarHBondContact O-N 2.79Å; V584-I588 HydrophobicContact CB-CD1 4.46Å; V584-I588 HydrophobicContact CG1-CB 4.37Å; V584-I588 HydrophobicContact CG1-CD1 4.43Å; V584-I588 HydrophobicContact CG2-CD1 4.14Å; V584-I588 WeakPolarHBondContact O-CA 3.41Å; V584-I588 WeakPolarHBondContact O-CB 3.36Å; V584-I588 PolarHBondContact O-N 2.98Å; V584-I588 VanDerWaalsContact O-N 3.09Å; V584-L589 HydrophobicContact CG1-CD1 4.16Å; V584-L589 HydrophobicContact CG1-CG 4.15Å; V584-L589 PolarHBondContact O-N 2.75Å; V584-I627 HydrophobicContact CG1-CD1 4.32Å; V584-I627 HydrophobicContact CG1-CG2 4.33Å; V584-L629 HydrophobicContact CG2-CD2 4.37Å; V584-Y660 HydrophobicContact CG1-CD1 4.32Å; V584-Y660 HydrophobicContact CG1-CD2 3.71Å; V584-Y660 HydrophobicContact CG1-CE2 4.37Å; V584-Y660 HydrophobicContact CG1-CG 3.7Å; V584-Y660 HydrophobicContact CG2-CD1 4.28Å; V584-Y660 HydrophobicContact CG2-CG 4.23Å
585	Y	87.9	Confident	80.9	Confident	59 Å²	59	59.3 Å²	59.3	23%	0.231	29%	0.287	C	S	.	.	I	π-helix	trans	-59.9	-56	178.3	-176.1	-103.5	0	0	0	111.1	I581 E582 H583 F590 L619 P620 L623 I627	I581-Y585 PolarHBondContact O-N 2.8Å; E582-Y585 PolarHBondContact O-N 2.85Å; H583-Y585 VanDerWaalsContact C-N 3.35Å; Y585-F590 WeakPolarHBondContact O-CB 3.47Å; Y585-F590 PolarHBondContact O-N 2.9Å; Y585-L619 HydrophobicContact CD1-CD2 4.1Å; Y585-P620 HydrophobicContact CE1-CG 4.19Å; Y585-P620 HydrophobicContact CE2-CG 4.42Å; Y585-L623 HydrophobicContact CD1-CD1 4.01Å; Y585-L623 HydrophobicContact CD2-CD1 4.06Å; Y585-L623 HydrophobicContact CE1-CD1 4.39Å; Y585-L623 HydrophobicContact CE2-CD1 4.45Å; Y585-L623 HydrophobicContact CG-CD1 3.83Å; Y585-I627 HydrophobicContact CD2-CD1 4.02Å; Y585-I627 HydrophobicContact CG-CD1 4.33Å
586	E	86.4	Confident	78.6	Confident	84 Å²	84	62.1 Å²	62.1	39%	0.393	31%	0.306	S	S	.	.	I	π-helix	trans	-71.2	-40.4	-173.1	-69.6	-177.4	176.3	0	0	113.9	E582 L619	E582-E586 WeakPolarHBondContact O-CG 3.45Å; E582-E586 PolarHBondContact O-N 2.87Å; E586-L619 HydrophobicContact CG-CD2 4.11Å
587	K	82.9	Confident	75.9	Confident	125 Å²	125	66.3 Å²	66.3	54%	0.543	33%	0.33	S	S	.	.	I	π-helix	trans	-103.8	-20.1	-167.7	-60	-59.1	-176.2	-172.4	0	114.5	H583 T591	H583-K587 VanDerWaalsContact O-CB 3.29Å; H583-K587 WeakPolarHBondContact O-CB 3.44Å; H583-K587 PolarHBondContact O-N 3.38Å; K587-T591 PolarHBondContact O-OG1 3.44Å
588	I	78.5	Confident	72.9	Confident	34 Å²	34	69.1 Å²	69.1	17%	0.174	36%	0.359	C	S	.	.	I	π-helix	trans	-113.1	-54.6	-175.8	-55	179.2	0	0	0	110.6	L553 V584 T591 S592 Y660	L553-I588 HydrophobicContact CB-CD1 4.42Å; L553-I588 HydrophobicContact CD1-CD1 4.15Å; V584-I588 HydrophobicContact CB-CD1 4.46Å; V584-I588 HydrophobicContact CG1-CB 4.37Å; V584-I588 HydrophobicContact CG1-CD1 4.43Å; V584-I588 HydrophobicContact CG2-CD1 4.14Å; V584-I588 WeakPolarHBondContact O-CA 3.41Å; V584-I588 WeakPolarHBondContact O-CB 3.36Å; V584-I588 PolarHBondContact O-N 2.98Å; V584-I588 VanDerWaalsContact O-N 3.09Å; I588-T591 PolarHBondContact O-OG1 3.5Å; I588-S592 WeakPolarHBondContact O-CB 3.3Å; I588-S592 PolarHBondContact O-N 3.28Å; I588-S592 PolarHBondContact O-OG 2.97Å; I588-Y660 HydrophobicContact CD1-CD1 4.4Å; I588-Y660 HydrophobicContact CD1-CE1 3.94Å; I588-Y660 HydrophobicContact CG2-CE1 4.34Å; I588-Y660 HydrophobicContact CG2-CE2 3.99Å; I588-Y660 WeakPolarHBondContact CG2-OH 3.39Å
589	L	77.5	Confident	69.9	Low	21 Å²	21	69.4 Å²	69.4	11%	0.11	37%	0.374	C	S	.	.	I	π-helix	trans	-81.9	-45.5	-174.6	-63.8	179.1	0	0	0	112.4	F559 V584 S592 L593 I627 Y660 A662	F559-L589 HydrophobicContact CE1-CD2 3.83Å; F559-L589 HydrophobicContact CZ-CD2 3.64Å; V584-L589 HydrophobicContact CG1-CD1 4.16Å; V584-L589 HydrophobicContact CG1-CG 4.15Å; V584-L589 PolarHBondContact O-N 2.75Å; L589-S592 PolarHBondContact O-N 2.99Å; L589-L593 WeakPolarHBondContact O-CB 3.44Å; L589-L593 VanDerWaalsContact O-CG 3.28Å; L589-L593 WeakPolarHBondContact O-CG 3.29Å; L589-L593 PolarHBondContact O-N 2.8Å; L589-I627 HydrophobicContact CD1-CD1 3.75Å; L589-I627 HydrophobicContact CD1-CG1 3.99Å; L589-Y660 HydrophobicContact CD2-CE2 4.44Å; L589-A662 HydrophobicContact CD1-CB 4.41Å
590	F	72.2	Confident	66.8	Low	70 Å²	70	73.7 Å²	73.7	31%	0.307	40%	0.396	S	S	.	.	H	α-helix	trans	-67	-40.2	-179.1	-166.7	-95.3	0	0	0	112.5	Y585 L593 N594 H617	Y585-F590 WeakPolarHBondContact O-CB 3.47Å; Y585-F590 PolarHBondContact O-N 2.9Å; F590-L593 PolarHBondContact O-N 2.92Å; F590-N594 VanDerWaalsContact CE1-ND2 3.32Å; F590-N594 WeakPolarHBondContact CE1-ND2 3.36Å; F590-N594 PolarHBondContact O-N 3.39Å; F590-N594 VanDerWaalsContact O-N 3.12Å; F590-H617 AromaticContact CZ-CD2 3.89Å
591	T	66.1	Low	63.7	Low	57 Å²	57	79.2 Å²	79.2	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-45.3	172.2	46.6	0	0	0	0	111.8	K587 I588 L593 N594 D595	K587-T591 PolarHBondContact O-OG1 3.44Å; I588-T591 PolarHBondContact O-OG1 3.5Å; T591-L593 VanDerWaalsContact C-N 3.34Å; T591-L593 PolarHBondContact O-N 2.82Å; T591-N594 PolarHBondContact O-N 2.95Å; T591-D595 PolarHBondContact O-N 2.86Å
592	S	61	Low	60.5	Low	43 Å²	43	84 Å²	84	30%	0.301	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-37	177.6	-63.1	0	0	0	0	113	I588 L589 T596	I588-S592 WeakPolarHBondContact O-CB 3.3Å; I588-S592 PolarHBondContact O-N 3.28Å; I588-S592 PolarHBondContact O-OG 2.97Å; L589-S592 PolarHBondContact O-N 2.99Å; S592-T596 PolarHBondContact O-N 2.96Å; S592-T596 PolarHBondContact O-OG1 2.87Å
593	L	56.7	Low	57.5	Low	111 Å²	111	88.4 Å²	88.4	58%	0.581	50%	0.503	S	S	*	.	H	α-helix	trans	-68.6	-36.7	176.6	-73.2	166.8	0	0	0	112.1	L589 F590 T591 T596	L589-L593 WeakPolarHBondContact O-CB 3.44Å; L589-L593 VanDerWaalsContact O-CG 3.28Å; L589-L593 WeakPolarHBondContact O-CG 3.29Å; L589-L593 PolarHBondContact O-N 2.8Å; F590-L593 PolarHBondContact O-N 2.92Å; T591-L593 VanDerWaalsContact C-N 3.34Å; T591-L593 PolarHBondContact O-N 2.82Å; L593-T596 WeakPolarHBondContact CA-OG1 3.36Å; L593-T596 PolarHBondContact O-N 2.94Å; L593-T596 PolarHBondContact O-OG1 2.79Å
594	N	53.2	Low	54.5	Low	90 Å²	90	89.5 Å²	89.5	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-72.9	-35.8	175.5	-76.1	-14.2	0	0	0	112.4	F590 T591 T596 N597	F590-N594 VanDerWaalsContact CE1-ND2 3.32Å; F590-N594 WeakPolarHBondContact CE1-ND2 3.36Å; F590-N594 PolarHBondContact O-N 3.39Å; F590-N594 VanDerWaalsContact O-N 3.12Å; T591-N594 PolarHBondContact O-N 2.95Å; N594-T596 VanDerWaalsContact C-N 3.29Å; N594-T596 PolarHBondContact O-N 2.88Å; N594-N597 PolarHBondContact O-N 2.79Å; N594-N597 VanDerWaalsContact O-N 3.14Å
595	D	51.5	Low	51.6	Low	131 Å²	131	97.2 Å²	97.2	70%	0.701	57%	0.565	S	S	*	*	H	α-helix	trans	-66.2	-30.9	174.8	-77.9	-16	0	0	0	112.1	T591 N597 G598	T591-D595 PolarHBondContact O-N 2.86Å; D595-N597 PolarHBondContact O-N 2.83Å; D595-G598 PolarHBondContact O-N 2.8Å
596	T	43.4	Very low	48.7	Very low	104 Å²	104	98.2 Å²	98.2	64%	0.638	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-16.7	173.6	44.7	0	0	0	0	114.6	S592 L593 N594	S592-T596 PolarHBondContact O-N 2.96Å; S592-T596 PolarHBondContact O-OG1 2.87Å; L593-T596 WeakPolarHBondContact CA-OG1 3.36Å; L593-T596 PolarHBondContact O-N 2.94Å; L593-T596 PolarHBondContact O-OG1 2.79Å; N594-T596 VanDerWaalsContact C-N 3.29Å; N594-T596 PolarHBondContact O-N 2.88Å
597	N	35.9	Very low	45.9	Very low	134 Å²	134	103.1 Å²	103.1	72%	0.717	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-2.4	171.3	-78.1	-14.7	0	0	0	113.2	N594 D595 T599	N594-N597 PolarHBondContact O-N 2.79Å; N594-N597 VanDerWaalsContact O-N 3.14Å; D595-N597 PolarHBondContact O-N 2.83Å; N597-T599 VanDerWaalsContact C-N 3.29Å; N597-T599 PolarHBondContact O-N 2.82Å; N597-T599 VanDerWaalsContact O-N 3.08Å
598	G	33.1	Very low	43.3	Very low	59 Å²	59	100.7 Å²	100.7	61%	0.608	62%	0.619	S	S	*	*			trans	-82.6	65.6	172.6	0	0	0	0	0	112.3	D595 H600	D595-G598 PolarHBondContact O-N 2.8Å; G598-H600 PolarHBondContact O-N 2.85Å
599	T	28.8	Very low	40.9	Very low	128 Å²	128	108 Å²	108	79%	0.785	65%	0.652	S	S	*	*			trans	-66.4	132.3	163.8	36.1	0	0	0	0	109.5	N597 S601	N597-T599 VanDerWaalsContact C-N 3.29Å; N597-T599 PolarHBondContact O-N 2.82Å; N597-T599 VanDerWaalsContact O-N 3.08Å; T599-S601 PolarHBondContact O-N 2.85Å
600	H	27.8	Very low	38.6	Very low	189 Å²	189	116.2 Å²	116.2	88%	0.875	69%	0.689	S	S	*	*			trans	-37.7	122.5	-178.7	-70.5	-86.7	0	0	0	115.1	G598	G598-H600 PolarHBondContact O-N 2.85Å
601	S	28.1	Very low	36.6	Very low	117 Å²	117	117.2 Å²	117.2	82%	0.818	71%	0.71	S	S	*	*			trans	-150.8	99.4	142.5	-83.5	0	0	0	0	109.3	T599 V603	T599-S601 PolarHBondContact O-N 2.85Å; S601-V603 PolarHBondContact O-N 3.45Å
602	A	28	Very low	34.8	Very low	105 Å²	105	120 Å²	120	87%	0.868	73%	0.729	S	S	*	*			trans	-69	106.6	165	0	0	0	0	0	108.3
603	V	28.6	Very low	33.3	Very low	129 Å²	129	123.3 Å²	123.3	78%	0.782	75%	0.753	S	S	*	*			trans	-134.8	108.8	156.9	-174.8	0	0	0	0	107.6	S601 N605	S601-V603 PolarHBondContact O-N 3.45Å; V603-N605 PolarHBondContact O-N 3.09Å
604	A	28.4	Very low	32.1	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	76%	0.756	S	S	*	*			trans	-59.3	121.4	162.1	0	0	0	0	0	108.8
605	N	27.3	Very low	31.3	Very low	162 Å²	162	123.6 Å²	123.6	87%	0.866	76%	0.764	S	S	*	*			trans	-161.7	152.6	137.2	-113.8	-17.8	0	0	0	113.5	V603	V603-N605 PolarHBondContact O-N 3.09Å
606	A	28.5	Very low	31	Very low	79 Å²	79	123.4 Å²	123.4	65%	0.653	77%	0.77	S	S	*	*			trans	-61.9	170.1	-174.2	0	0	0	0	0	114.7
607	Q	26.7	Very low	31.5	Very low	188 Å²	188	124.7 Å²	124.7	88%	0.879	77%	0.768	S	S	*	*			trans	96.3	98.8	159	-59.1	179.9	-7.1	0	0	116.7	H609	Q607-H609 PolarHBondContact O-N 3.24Å
608	G	28.5	Very low	33	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	77%	0.772	S	S	*	*			trans	12	100.7	142.1	0	0	0	0	0	117.9
609	H	28.2	Very low	34.9	Very low	187 Å²	187	123.2 Å²	123.2	87%	0.866	76%	0.76	S	S	*	*			trans	-142.7	128.7	138.5	-90.1	-59.6	0	0	0	107.8	Q607 A611	Q607-H609 PolarHBondContact O-N 3.24Å; H609-A611 PolarHBondContact O-N 3.3Å
610	H	28.5	Very low	37	Very low	193 Å²	193	118.3 Å²	118.3	89%	0.894	73%	0.73	S	S	*	*			trans	-47	109.1	166.1	-81.6	-86.5	0	0	0	108.3
611	A	30.1	Very low	39.3	Very low	91 Å²	91	114.8 Å²	114.8	75%	0.752	73%	0.733	S	S	*	*			trans	-57.4	128.8	167.9	0	0	0	0	0	107	H609 S613	H609-A611 PolarHBondContact O-N 3.3Å; A611-S613 PolarHBondContact O-N 2.64Å
612	P	28.9	Very low	41.8	Very low	115 Å²	115	111.7 Å²	111.7	75%	0.747	71%	0.708	S	S	*	*			trans	-59.9	126.5	-179.2	23.8	-30.5	0	0	0	107.8	V614	P612-V614 PolarHBondContact O-N 2.96Å
613	S	29.2	Very low	44.4	Very low	114 Å²	114	107.2 Å²	107.2	80%	0.797	67%	0.669	S	S	*	*			trans	-54.6	103.4	168.2	51.4	0	0	0	0	107.8	A611 P615	A611-S613 PolarHBondContact O-N 2.64Å; S613-P615 VanDerWaalsContact O-N 3.15Å
614	V	32.1	Very low	47	Very low	107 Å²	107	104 Å²	104	65%	0.648	65%	0.645	S	S	*	*			trans	-53.2	120.7	168.9	178.4	0	0	0	0	106.1	P612	P612-V614 PolarHBondContact O-N 2.96Å
615	P	35.8	Very low	49.6	Very low	99 Å²	99	106.6 Å²	106.6	64%	0.643	64%	0.643	S	S	*	*			trans	-60.1	141.9	179.1	24.1	-30.5	0	0	0	108.1	S613 H617	S613-P615 VanDerWaalsContact O-N 3.15Å; P615-H617 PolarHBondContact O-N 2.56Å
616	P	45.7	Very low	52.4	Low	128 Å²	128	104 Å²	104	83%	0.831	62%	0.621	S	S	*	*			trans	-56.8	113.6	179.1	23.1	-30.9	0	0	0	107.9	A618	P616-A618 PolarHBondContact O-N 2.98Å
617	H	54.2	Low	55.4	Low	130 Å²	130	100.4 Å²	100.4	60%	0.602	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-55.1	129.7	174.1	-81.8	-78.3	0	0	0	108	F590 P615 L619	F590-H617 AromaticContact CZ-CD2 3.89Å; P615-H617 PolarHBondContact O-N 2.56Å; H617-L619 PolarHBondContact O-N 3.41Å
618	A	67.4	Low	58.5	Low	96 Å²	96	92.7 Å²	92.7	79%	0.793	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-55.7	126.5	175.4	0	0	0	0	0	109.2	P616	P616-A618 PolarHBondContact O-N 2.98Å
619	L	72	Confident	61.7	Low	66 Å²	66	89.2 Å²	89.2	35%	0.346	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-56.1	131.8	177	-75.4	162.9	0	0	0	109.5	E582 Y585 E586 H617 A621 L623	E582-L619 HydrophobicContact CB-CD1 4.45Å; E582-L619 HydrophobicContact CB-CD2 4.48Å; E582-L619 HydrophobicContact CG-CD1 3.88Å; E582-L619 HydrophobicContact CG-CD2 4.38Å; Y585-L619 HydrophobicContact CD1-CD2 4.1Å; E586-L619 HydrophobicContact CG-CD2 4.11Å; H617-L619 PolarHBondContact O-N 3.41Å; L619-A621 PolarHBondContact O-N 3.39Å; L619-L623 HydrophobicContact CD2-CD1 4.34Å; L619-L623 HydrophobicContact CD2-CD2 4.35Å
620	P	73.4	Confident	64.9	Low	26 Å²	26	81.6 Å²	81.6	17%	0.169	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-52.9	131.7	171	-23.7	28.8	0	0	0	111.1	Y585 D622 L623	Y585-P620 HydrophobicContact CE1-CG 4.19Å; Y585-P620 HydrophobicContact CE2-CG 4.42Å; P620-D622 VanDerWaalsContact CB-OD1 3.22Å; P620-D622 WeakPolarHBondContact CB-OD1 3.45Å; P620-D622 PolarHBondContact O-N 2.96Å; P620-L623 HydrophobicContact CB-CD1 3.97Å; P620-L623 HydrophobicContact CG-CD1 3.81Å; P620-L623 PolarHBondContact O-N 3.02Å
621	A	75.1	Confident	68	Low	114 Å²	114	72.5 Å²	72.5	94%	0.942	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.4	-179.6	0	0	0	0	0	112.7	L619	L619-A621 PolarHBondContact O-N 3.39Å
622	D	81.8	Confident	71	Confident	52 Å²	52	72.5 Å²	72.5	28%	0.278	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	23.4	-178.9	62.5	-36.3	0	0	0	112.8	P620 E624 E625 R626	P620-D622 VanDerWaalsContact CB-OD1 3.22Å; P620-D622 WeakPolarHBondContact CB-OD1 3.45Å; P620-D622 PolarHBondContact O-N 2.96Å; D622-E624 PolarHBondContact O-N 2.93Å; D622-E624 VanDerWaalsContact O-N 3.09Å; D622-E625 HydrophobicContact CB-CB 4.45Å; D622-E625 HydrophobicContact CB-CG 4.45Å; D622-E625 WeakPolarHBondContact O-CB 3.5Å; D622-E625 PolarHBondContact O-N 2.94Å; D622-R626 VanDerWaalsContact CG-NE 3.32Å; D622-R626 PolarHBondContact O-N 2.82Å; D622-R626 IonicContact OD1-CZ 3.78Å; D622-R626 IonicContact OD1-NE 3.06Å; D622-R626 PolarHBondContact OD1-NE 3.18Å; D622-R626 IonicContact OD1-NH2 3.83Å; D622-R626 PolarHBondContact OD1-NH2 2.9Å; D622-R626 VanDerWaalsContact OD1-NH2 3.08Å; D622-R626 IonicContact OD2-CZ 2.69Å; D622-R626 VanDerWaalsContact OD2-CZ 3.24Å; D622-R626 IonicContact OD2-NE 3.22Å; D622-R626 PolarHBondContact OD2-NE 2.71Å; D622-R626 IonicContact OD2-NH2 2.88Å; D622-R626 PolarHBondContact OD2-NH2 3.31Å
623	L	82.7	Confident	73.9	Confident	12 Å²	12	73.5 Å²	73.5	6%	0.063	42%	0.423	C	S	.	.	H	α-helix	trans	-54.1	-35.5	-175.4	-144.1	83.8	0	0	0	113.5	I581 E582 Y585 L619 P620 E625 R626 I627	I581-L623 HydrophobicContact CB-CD2 4.46Å; I581-L623 HydrophobicContact CG2-CD2 3.7Å; I581-L623 HydrophobicContact CG2-CG 4.1Å; E582-L623 HydrophobicContact CB-CD2 4.31Å; E582-L623 HydrophobicContact CG-CD2 3.87Å; Y585-L623 HydrophobicContact CD1-CD1 4.01Å; Y585-L623 HydrophobicContact CD2-CD1 4.06Å; Y585-L623 HydrophobicContact CE1-CD1 4.39Å; Y585-L623 HydrophobicContact CE2-CD1 4.45Å; Y585-L623 HydrophobicContact CG-CD1 3.83Å; L619-L623 HydrophobicContact CD2-CD1 4.34Å; L619-L623 HydrophobicContact CD2-CD2 4.35Å; P620-L623 HydrophobicContact CB-CD1 3.97Å; P620-L623 HydrophobicContact CG-CD1 3.81Å; P620-L623 PolarHBondContact O-N 3.02Å; L623-E625 PolarHBondContact O-N 3.09Å; L623-R626 PolarHBondContact O-N 3.27Å; L623-R626 VanDerWaalsContact O-N 3.1Å; L623-I627 PolarHBondContact O-N 2.92Å; L623-I627 VanDerWaalsContact O-N 3.1Å
624	E	82.4	Confident	76.9	Confident	60 Å²	60	72.5 Å²	72.5	28%	0.28	41%	0.406	S	S	.	.	H	α-helix	trans	-69.8	-18.4	179.3	-60.1	-179.4	164.1	0	0	113.1	R578 D622 P638	R578-E624 IonicContact CZ-OE1 2.95Å; R578-E624 IonicContact NE-OE1 3.17Å; R578-E624 PolarHBondContact NE-OE1 3.4Å; R578-E624 IonicContact NH2-OE1 3.84Å; R578-E624 PolarHBondContact NH2-OE1 2.61Å; R578-E624 IonicContact NH2-OE2 3.52Å; R578-E624 PolarHBondContact NH2-OE2 3.43Å; D622-E624 PolarHBondContact O-N 2.93Å; D622-E624 VanDerWaalsContact O-N 3.09Å; E624-P638 HydrophobicContact CB-CG 4.26Å; E624-P638 HydrophobicContact CG-CB 4.14Å; E624-P638 HydrophobicContact CG-CG 3.94Å; E624-P638 WeakPolarHBondContact OE1-CB 3.35Å
625	E	84	Confident	79.9	Confident	146 Å²	146	74 Å²	74	68%	0.682	40%	0.4	S	S	*	.	H	α-helix	trans	-86.8	-18.9	172.8	-57.8	-176.8	-179.2	0	0	111.6	D622 L623 V663	D622-E625 HydrophobicContact CB-CB 4.45Å; D622-E625 HydrophobicContact CB-CG 4.45Å; D622-E625 WeakPolarHBondContact O-CB 3.5Å; D622-E625 PolarHBondContact O-N 2.94Å; L623-E625 PolarHBondContact O-N 3.09Å; E625-V663 WeakPolarHBondContact O-CB 3.39Å; E625-V663 WeakPolarHBondContact O-CG1 3.35Å; E625-V663 WeakPolarHBondContact O-CG2 3.5Å
626	R	85.7	Confident	82.7	Confident	108 Å²	108	69.6 Å²	69.6	41%	0.408	37%	0.371	S	S	.	.	H	α-helix	trans	-98.6	-26.3	-175.5	-62.3	-176.7	-173.2	-159.8	4.3	114.1	D622 L623 A662 V663	D622-R626 VanDerWaalsContact CG-NE 3.32Å; D622-R626 PolarHBondContact O-N 2.82Å; D622-R626 IonicContact OD1-CZ 3.78Å; D622-R626 IonicContact OD1-NE 3.06Å; D622-R626 PolarHBondContact OD1-NE 3.18Å; D622-R626 IonicContact OD1-NH2 3.83Å; D622-R626 PolarHBondContact OD1-NH2 2.9Å; D622-R626 VanDerWaalsContact OD1-NH2 3.08Å; D622-R626 IonicContact OD2-CZ 2.69Å; D622-R626 VanDerWaalsContact OD2-CZ 3.24Å; D622-R626 IonicContact OD2-NE 3.22Å; D622-R626 PolarHBondContact OD2-NE 2.71Å; D622-R626 IonicContact OD2-NH2 2.88Å; D622-R626 PolarHBondContact OD2-NH2 3.31Å; L623-R626 PolarHBondContact O-N 3.27Å; L623-R626 VanDerWaalsContact O-N 3.1Å; R626-A662 CarbonylContact O-C 3.53Å; R626-A662 WeakPolarHBondContact O-CA 3.29Å; R626-V663 PolarHBondContact O-N 3.46Å
627	I	90	Very high	85	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.4	-177.1	-62.2	171.4	0	0	0	109.6	I581 V584 Y585 L589 L623 R661	I581-I627 HydrophobicContact CG2-CB 3.64Å; I581-I627 HydrophobicContact CG2-CD1 4.11Å; I581-I627 HydrophobicContact CG2-CG1 4.44Å; I581-I627 HydrophobicContact CG2-CG2 3.82Å; V584-I627 HydrophobicContact CG1-CD1 4.32Å; V584-I627 HydrophobicContact CG1-CG2 4.33Å; Y585-I627 HydrophobicContact CD2-CD1 4.02Å; Y585-I627 HydrophobicContact CG-CD1 4.33Å; L589-I627 HydrophobicContact CD1-CD1 3.75Å; L589-I627 HydrophobicContact CD1-CG1 3.99Å; L623-I627 PolarHBondContact O-N 2.92Å; L623-I627 VanDerWaalsContact O-N 3.1Å; I627-R661 WeakPolarHBondContact CA-O 3.28Å
628	E	93	Very high	86.8	Confident	25 Å²	25	62.6 Å²	62.6	12%	0.117	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.6	173.1	-67.9	175.2	152.7	0	0	110.4	Y630 R635 Y660 R661 V663	E628-Y630 HydrophobicContact CB-CD2 4.25Å; E628-Y630 HydrophobicContact CB-CE2 3.51Å; E628-Y630 WeakPolarHBondContact OE2-CE2 3.26Å; E628-Y630 PolarHBondContact OE2-OH 2.78Å; E628-R635 IonicContact OE1-CZ 2.71Å; E628-R635 IonicContact OE1-NE 3.47Å; E628-R635 IonicContact OE1-NH1 3.43Å; E628-R635 PolarHBondContact OE1-NH1 3.13Å; E628-R635 IonicContact OE1-NH2 3.21Å; E628-Y660 WeakPolarHBondContact O-CA 3.24Å; E628-R661 PolarHBondContact N-O 3.07Å; E628-R661 PolarHBondContact O-N 3.3Å; E628-V663 HydrophobicContact CG-CG2 3.59Å
629	L	94.9	Very high	87.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.9	169.8	-72.4	173.1	0	0	0	110.4	L553 V577 V580 I581 V584 L636 C659	L553-L629 HydrophobicContact CD2-CD2 4.37Å; V577-L629 HydrophobicContact CG1-CB 4.14Å; V577-L629 HydrophobicContact CG1-CD1 3.71Å; V577-L629 HydrophobicContact CG1-CG 4.46Å; V580-L629 HydrophobicContact CB-CD1 3.6Å; V580-L629 HydrophobicContact CG1-CD1 3.55Å; V580-L629 HydrophobicContact CG1-CD2 4.38Å; I581-L629 HydrophobicContact CG1-CD1 3.59Å; I581-L629 HydrophobicContact CG1-CG 3.96Å; V584-L629 HydrophobicContact CG2-CD2 4.37Å; L629-L636 HydrophobicContact CB-CB 4.43Å; L629-L636 HydrophobicContact CB-CD1 4.14Å; L629-L636 WeakPolarHBondContact O-CB 3.46Å; L629-L636 PolarHBondContact O-N 2.9Å; L629-C659 CarbonylContact C-O 3.45Å; L629-C659 WeakPolarHBondContact CA-O 3.41Å
630	Y	95.1	Very high	88.8	Confident	28 Å²	28	59.5 Å²	59.5	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.1	-177.5	-68.3	-100	0	0	0	110.6	H556 E628 Q634 R635 L658 C659 R661	H556-Y630 AromaticContact CD2-CD2 3.94Å; H556-Y630 AromaticContact CD2-CG 3.93Å; E628-Y630 HydrophobicContact CB-CD2 4.25Å; E628-Y630 HydrophobicContact CB-CE2 3.51Å; E628-Y630 WeakPolarHBondContact OE2-CE2 3.26Å; E628-Y630 PolarHBondContact OE2-OH 2.78Å; Y630-Q634 CarbonylContact C-O 3.47Å; Y630-Q634 VanDerWaalsContact CA-O 3.25Å; Y630-Q634 WeakPolarHBondContact CA-O 3.16Å; Y630-R635 HydrophobicContact CD1-CB 4.17Å; Y630-R635 HydrophobicContact CE1-CB 3.79Å; Y630-L658 CarbonylContact O-C 3.55Å; Y630-L658 WeakPolarHBondContact O-CA 3.19Å; Y630-C659 PolarHBondContact N-O 3.17Å; Y630-C659 PolarHBondContact O-N 3.31Å; Y630-R661 HydrophobicContact CE2-CB 4.17Å
631	C	95.4	Very high	89.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.7	166	-179.4	0	0	0	0	107.5	D633 Q634 L636 I645 I649 L658	C631-D633 VanDerWaalsContact C-N 3.29Å; C631-D633 PolarHBondContact O-N 3.07Å; C631-Q634 PolarHBondContact N-O 3.2Å; C631-Q634 WeakPolarHBondContact O-CB 3.5Å; C631-Q634 PolarHBondContact O-N 3.38Å; C631-L636 HydrophobicContact CB-CD1 4.13Å; C631-L636 HydrophobicContact CB-CD2 3.99Å; C631-L636 HydrophobicContact CB-CG 4.39Å; C631-I645 HydrophobicContact CB-CG2 3.91Å; C631-I649 HydrophobicContact CB-CG2 3.88Å; C631-I649 WeakPolarHBondContact O-CG2 3.33Å; C631-L658 HydrophobicContact CB-CD2 4.03Å
632	Q	92	Very high	90.6	Very high	91 Å²	91	53.2 Å²	53.2	43%	0.425	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	49.1	-174.4	-60.4	176.7	3.1	0	0	112.7	Q634 I649 W650	Q632-Q634 PolarHBondContact O-N 2.84Å; Q632-I649 PolarHBondContact OE1-O 2.99Å; Q632-W650 HydrophobicContact CG-CE3 4.2Å; Q632-W650 HydrophobicContact CG-CZ3 4.34Å; Q632-W650 PolarHBondContact NE2-O 3.46Å
633	D	89.4	Confident	91.2	Very high	136 Å²	136	51.2 Å²	51.2	73%	0.727	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	3.5	-178.2	-53.6	-42	0	0	0	116	C631	C631-D633 VanDerWaalsContact C-N 3.29Å; C631-D633 PolarHBondContact O-N 3.07Å
634	Q	93.5	Very high	91.7	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.4	171.1	-173.3	176	-0.4	0	0	110.6	Y630 C631 Q632 L636 I649	Y630-Q634 CarbonylContact C-O 3.47Å; Y630-Q634 VanDerWaalsContact CA-O 3.25Å; Y630-Q634 WeakPolarHBondContact CA-O 3.16Å; C631-Q634 PolarHBondContact N-O 3.2Å; C631-Q634 WeakPolarHBondContact O-CB 3.5Å; C631-Q634 PolarHBondContact O-N 3.38Å; Q632-Q634 PolarHBondContact O-N 2.84Å; Q634-L636 PolarHBondContact O-N 2.9Å; Q634-I649 HydrophobicContact CB-CG2 4.28Å; Q634-I649 HydrophobicContact CG-CD1 4.45Å
635	R	94	Very high	92.4	Very high	138 Å²	138	47.9 Å²	47.9	52%	0.521	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.8	171.8	-178.3	176.6	168.2	175.6	-7.2	110	E628 Y630	E628-R635 IonicContact OE1-CZ 2.71Å; E628-R635 IonicContact OE1-NE 3.47Å; E628-R635 IonicContact OE1-NH1 3.43Å; E628-R635 PolarHBondContact OE1-NH1 3.13Å; E628-R635 IonicContact OE1-NH2 3.21Å; Y630-R635 HydrophobicContact CD1-CB 4.17Å; Y630-R635 HydrophobicContact CE1-CB 3.79Å
636	L	95.2	Very high	92.9	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-93.6	136.7	-177.6	-58.3	179.8	0	0	0	111.1	V577 L629 C631 Q634 I645 I649 L658	V577-L636 HydrophobicContact CG1-CB 4.1Å; V577-L636 HydrophobicContact CG2-CB 4.17Å; V577-L636 HydrophobicContact CG2-CD1 4.36Å; L629-L636 HydrophobicContact CB-CB 4.43Å; L629-L636 HydrophobicContact CB-CD1 4.14Å; L629-L636 WeakPolarHBondContact O-CB 3.46Å; L629-L636 PolarHBondContact O-N 2.9Å; C631-L636 HydrophobicContact CB-CD1 4.13Å; C631-L636 HydrophobicContact CB-CD2 3.99Å; C631-L636 HydrophobicContact CB-CG 4.39Å; Q634-L636 PolarHBondContact O-N 2.9Å; L636-I645 HydrophobicContact CD1-CD1 3.72Å; L636-I645 HydrophobicContact CD1-CG1 4.3Å; L636-I645 HydrophobicContact CD1-CG2 4.35Å; L636-I645 HydrophobicContact CD2-CD1 4.37Å; L636-I645 HydrophobicContact CD2-CG1 4.08Å; L636-I645 HydrophobicContact CD2-CG2 4.16Å; L636-I649 HydrophobicContact CD2-CD1 3.35Å; L636-L658 HydrophobicContact CD1-CD2 3.68Å
637	D	92.9	Very high	93.2	Very high	88 Å²	88	43.4 Å²	43.4	47%	0.471	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-73.5	131.7	171.6	-175.2	-55.6	0	0	0	109.5	V577 S639 M640	V577-D637 WeakPolarHBondContact CB-O 3.35Å; D637-S639 PolarHBondContact O-N 3.41Å; D637-S639 VanDerWaalsContact O-N 3.1Å; D637-S639 VanDerWaalsContact OD1-CB 3.28Å; D637-S639 WeakPolarHBondContact OD1-CB 3.4Å; D637-S639 PolarHBondContact OD1-N 2.82Å; D637-S639 PolarHBondContact OD1-OG 2.86Å; D637-M640 HydrophobicContact CB-CG 4.02Å; D637-M640 HydrophobicContact CB-SD 4.18Å; D637-M640 WeakPolarHBondContact O-CB 3.28Å; D637-M640 PolarHBondContact O-N 2.81Å
638	P	92.3	Very high	93.4	Very high	23 Å²	23	45.1 Å²	45.1	15%	0.149	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.4	179.9	-27.2	35.6	0	0	0	115.4	R578 I581 E624	R578-P638 HydrophobicContact CB-CB 4.26Å; R578-P638 PolarHBondContact N-O 3.13Å; I581-P638 HydrophobicContact CD1-CG 4.38Å; E624-P638 HydrophobicContact CB-CG 4.26Å; E624-P638 HydrophobicContact CG-CB 4.14Å; E624-P638 HydrophobicContact CG-CG 3.94Å; E624-P638 WeakPolarHBondContact OE1-CB 3.35Å
639	S	88.8	Confident	93.4	Very high	79 Å²	79	44.2 Å²	44.2	55%	0.552	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18	178.4	68.4	0	0	0	0	114.1	D637	D637-S639 PolarHBondContact O-N 3.41Å; D637-S639 VanDerWaalsContact O-N 3.1Å; D637-S639 VanDerWaalsContact OD1-CB 3.28Å; D637-S639 WeakPolarHBondContact OD1-CB 3.4Å; D637-S639 PolarHBondContact OD1-N 2.82Å; D637-S639 PolarHBondContact OD1-OG 2.86Å
640	M	92.3	Very high	93.4	Very high	19 Å²	19	45.6 Å²	45.6	9%	0.094	22%	0.222	C	C	.	.			trans	-66.6	152.1	177.2	-68.5	177.7	77.8	0	0	111.2	M405 Q576 V577 D637 T644 I645 I649	M405-M640 HydrophobicContact CE-CE 4.07Å; M405-M640 HydrophobicContact CG-CE 4.39Å; Q576-M640 CarbonylContact C-O 3.4Å; Q576-M640 VanDerWaalsContact CA-O 3.28Å; Q576-M640 WeakPolarHBondContact CA-O 3.46Å; V577-M640 HydrophobicContact CG2-CB 4.08Å; V577-M640 WeakPolarHBondContact CG2-O 3.2Å; V577-M640 PolarHBondContact N-O 3.07Å; D637-M640 HydrophobicContact CB-CG 4.02Å; D637-M640 HydrophobicContact CB-SD 4.18Å; D637-M640 WeakPolarHBondContact O-CB 3.28Å; D637-M640 PolarHBondContact O-N 2.81Å; M640-T644 HydrophobicContact CE-CG2 3.68Å; M640-I645 HydrophobicContact CB-CD1 4.46Å; M640-I645 HydrophobicContact CB-CG1 4.24Å; M640-I645 HydrophobicContact CE-CG1 3.85Å; M640-I645 HydrophobicContact SD-CG1 4.49Å; M640-I649 HydrophobicContact CE-CD1 3.83Å; M640-I649 HydrophobicContact SD-CD1 4.42Å
641	D	93.2	Very high	93.2	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.043	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-105	164	170.1	62.1	18.9	0	0	0	112.1	L575 R643 T644 I645	L575-D641 VanDerWaalsContact O-CA 3.32Å; L575-D641 WeakPolarHBondContact O-CA 3.39Å; D641-R643 HydrophobicContact CB-CG 4.41Å; D641-R643 PolarHBondContact O-N 2.7Å; D641-R643 WeakPolarHBondContact OD1-CG 3.32Å; D641-R643 VanDerWaalsContact OD2-CG 3.29Å; D641-R643 WeakPolarHBondContact OD2-CG 3.24Å; D641-T644 PolarHBondContact O-N 3.08Å; D641-T644 WeakPolarHBondContact OD1-CB 3.49Å; D641-T644 PolarHBondContact OD1-N 2.96Å; D641-T644 PolarHBondContact OD1-OG1 2.98Å; D641-I645 WeakPolarHBondContact O-CD1 3.3Å; D641-I645 WeakPolarHBondContact O-CG1 3.34Å; D641-I645 PolarHBondContact O-N 2.91Å; D641-I645 VanDerWaalsContact O-N 3.11Å
642	L	95.1	Very high	92.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-33	-178	-61.9	-176.9	0	0	0	112.8	I549 F551 A571 D573 L575 V580 I645 K646 L656 L658	I549-L642 HydrophobicContact CD1-CB 3.33Å; I549-L642 HydrophobicContact CD1-CD1 4.15Å; I549-L642 HydrophobicContact CD1-CG 4.38Å; I549-L642 HydrophobicContact CG1-CB 4.12Å; I549-L642 HydrophobicContact CG1-CD1 4.12Å; F551-L642 HydrophobicContact CD1-CD1 3.73Å; F551-L642 HydrophobicContact CE1-CD1 3.73Å; F551-L642 HydrophobicContact CG-CD1 4.36Å; F551-L642 HydrophobicContact CZ-CD1 4.34Å; A571-L642 HydrophobicContact CB-CD1 4.38Å; D573-L642 PolarHBondContact O-N 2.75Å; L575-L642 HydrophobicContact CB-CD1 3.97Å; L575-L642 HydrophobicContact CB-CG 4.11Å; L575-L642 HydrophobicContact CD2-CD1 4.22Å; L575-L642 WeakPolarHBondContact O-CG 3.49Å; L575-L642 PolarHBondContact O-N 2.85Å; V580-L642 HydrophobicContact CG2-CD2 4.14Å; L642-I645 HydrophobicContact CD2-CD1 4.46Å; L642-K646 VanDerWaalsContact O-CB 3.28Å; L642-K646 WeakPolarHBondContact O-CB 3.29Å; L642-K646 PolarHBondContact O-N 3.04Å; L642-L656 HydrophobicContact CB-CD2 4.29Å; L642-L656 HydrophobicContact CD2-CD2 3.99Å; L642-L658 HydrophobicContact CD2-CD1 3.72Å
643	R	93.7	Very high	92.5	Very high	10 Å²	10	56.3 Å²	56.3	4%	0.038	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-41.8	176.7	61.4	168.6	58.8	171.3	4.2	112.7	F407 W434 D573 M574 D641 I645 K646 H647	F407-R643 HydrophobicContact CD1-CB 4.36Å; F407-R643 WeakPolarHBondContact O-CD 3.46Å; W434-R643 PolarHBondContact O-NH1 3.22Å; D573-R643 HydrophobicContact CB-CB 4.13Å; D573-R643 PolarHBondContact O-N 3.04Å; D573-R643 IonicContact OD1-CZ 3.52Å; D573-R643 IonicContact OD1-NE 3.92Å; D573-R643 IonicContact OD1-NH2 2.79Å; D573-R643 PolarHBondContact OD1-NH2 3.33Å; D573-R643 IonicContact OD2-CZ 3.74Å; D573-R643 VanDerWaalsContact OD2-CZ 3.25Å; D573-R643 IonicContact OD2-NE 3.24Å; D573-R643 PolarHBondContact OD2-NE 2.85Å; D573-R643 IonicContact OD2-NH2 2.79Å; D573-R643 PolarHBondContact OD2-NH2 2.87Å; M574-R643 PolarHBondContact SD-NE 2.91Å; M574-R643 VanDerWaalsContact SD-NE 3.36Å; M574-R643 PolarHBondContact SD-NH1 2.68Å; M574-R643 PolarHBondContact SD-NH2 2.75Å; D641-R643 HydrophobicContact CB-CG 4.41Å; D641-R643 PolarHBondContact O-N 2.7Å; D641-R643 WeakPolarHBondContact OD1-CG 3.32Å; D641-R643 VanDerWaalsContact OD2-CG 3.29Å; D641-R643 WeakPolarHBondContact OD2-CG 3.24Å; R643-I645 VanDerWaalsContact C-N 3.34Å; R643-K646 PolarHBondContact O-N 3.37Å; R643-H647 WeakPolarHBondContact O-CB 3.45Å; R643-H647 PolarHBondContact O-N 3.25Å
644	T	93.5	Very high	92.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-41.5	-179.2	-61.8	0	0	0	0	109.3	M405 F407 M640 D641 H647 F648	M405-T644 HydrophobicContact CG-CG2 4.48Å; M405-T644 WeakPolarHBondContact O-CG2 3.26Å; F407-T644 PolarHBondContact N-OG1 3.29Å; F407-T644 VanDerWaalsContact N-OG1 3.14Å; M640-T644 HydrophobicContact CE-CG2 3.68Å; D641-T644 PolarHBondContact O-N 3.08Å; D641-T644 WeakPolarHBondContact OD1-CB 3.49Å; D641-T644 PolarHBondContact OD1-N 2.96Å; D641-T644 PolarHBondContact OD1-OG1 2.98Å; T644-H647 PolarHBondContact O-N 3.41Å; T644-F648 HydrophobicContact CG2-CD2 3.64Å; T644-F648 HydrophobicContact CG2-CE2 4.08Å; T644-F648 PolarHBondContact O-N 3.47Å
645	I	95.8	Very high	92.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-48.5	172.6	-61.1	160.8	0	0	0	110.5	V577 C631 L636 M640 D641 L642 R643 H647 I649 W650 L656 L658	V577-I645 HydrophobicContact CG2-CD1 3.37Å; V577-I645 HydrophobicContact CG2-CG1 4.49Å; C631-I645 HydrophobicContact CB-CG2 3.91Å; L636-I645 HydrophobicContact CD1-CD1 3.72Å; L636-I645 HydrophobicContact CD1-CG1 4.3Å; L636-I645 HydrophobicContact CD1-CG2 4.35Å; L636-I645 HydrophobicContact CD2-CD1 4.37Å; L636-I645 HydrophobicContact CD2-CG1 4.08Å; L636-I645 HydrophobicContact CD2-CG2 4.16Å; M640-I645 HydrophobicContact CB-CD1 4.46Å; M640-I645 HydrophobicContact CB-CG1 4.24Å; M640-I645 HydrophobicContact CE-CG1 3.85Å; M640-I645 HydrophobicContact SD-CG1 4.49Å; D641-I645 WeakPolarHBondContact O-CD1 3.3Å; D641-I645 WeakPolarHBondContact O-CG1 3.34Å; D641-I645 PolarHBondContact O-N 2.91Å; D641-I645 VanDerWaalsContact O-N 3.11Å; L642-I645 HydrophobicContact CD2-CD1 4.46Å; R643-I645 VanDerWaalsContact C-N 3.34Å; I645-H647 PolarHBondContact O-N 3.4Å; I645-I649 HydrophobicContact CG2-CB 4.29Å; I645-I649 HydrophobicContact CG2-CD1 4.47Å; I645-I649 WeakPolarHBondContact O-CA 3.46Å; I645-I649 WeakPolarHBondContact O-CB 3.05Å; I645-I649 PolarHBondContact O-N 3.36Å; I645-W650 PolarHBondContact O-N 3.36Å; I645-L656 HydrophobicContact CG2-CD1 3.84Å; I645-L656 HydrophobicContact CG2-CD2 4.34Å; I645-L658 HydrophobicContact CG2-CD2 4.2Å
646	K	94.6	Very high	92.5	Very high	70 Å²	70	43 Å²	43	30%	0.304	25%	0.245	S	C	.	.	I	π-helix	trans	-58.4	-41	-179.1	-171.5	172.5	-176.8	173.3	0	111.4	I549 L642 R643 K651	I549-K646 HydrophobicContact CD1-CD 4.43Å; L642-K646 VanDerWaalsContact O-CB 3.28Å; L642-K646 WeakPolarHBondContact O-CB 3.29Å; L642-K646 PolarHBondContact O-N 3.04Å; R643-K646 PolarHBondContact O-N 3.37Å; K646-K651 PolarHBondContact O-N 2.72Å
647	H	92.7	Very high	92.5	Very high	90 Å²	90	44 Å²	44	42%	0.417	25%	0.251	S	S	.	.	I	π-helix	trans	-78	-48.5	-176.8	-170.5	74.8	0	0	0	113.7	F407 R643 T644 I645 K651	F407-H647 HydrophobicContact CB-CB 4.06Å; F407-H647 HydrophobicContact CD1-CB 3.78Å; F407-H647 HydrophobicContact CD2-CB 3.93Å; F407-H647 AromaticContact CD2-CD2 3.23Å; F407-H647 WeakPolarHBondContact CD2-CD2 3.39Å; F407-H647 AromaticContact CD2-CE1 3.83Å; F407-H647 AromaticContact CD2-CG 3.35Å; F407-H647 AromaticContact CD2-ND1 3.73Å; F407-H647 AromaticContact CD2-NE2 3.56Å; F407-H647 HydrophobicContact CE1-CB 4.19Å; F407-H647 HydrophobicContact CE2-CB 4.34Å; F407-H647 AromaticContact CE2-CD2 3.61Å; F407-H647 AromaticContact CE2-CE1 3.34Å; F407-H647 WeakPolarHBondContact CE2-CE1 3.42Å; F407-H647 AromaticContact CE2-CG 3.52Å; F407-H647 AromaticContact CE2-ND1 3.35Å; F407-H647 WeakPolarHBondContact CE2-ND1 3.37Å; F407-H647 AromaticContact CE2-NE2 3.5Å; F407-H647 WeakPolarHBondContact CE2-NE2 3.45Å; F407-H647 HydrophobicContact CG-CB 3.63Å; F407-H647 AromaticContact CG-CD2 3.82Å; F407-H647 AromaticContact CG-CG 3.62Å; F407-H647 HydrophobicContact CZ-CB 4.45Å; F407-H647 AromaticContact CZ-CE1 3.9Å; F407-H647 AromaticContact CZ-CG 3.92Å; F407-H647 AromaticContact CZ-ND1 3.55Å; R643-H647 WeakPolarHBondContact O-CB 3.45Å; R643-H647 PolarHBondContact O-N 3.25Å; T644-H647 PolarHBondContact O-N 3.41Å; I645-H647 PolarHBondContact O-N 3.4Å; H647-K651 WeakPolarHBondContact O-CG 3.3Å
648	F	93.2	Very high	92.7	Very high	39 Å²	39	39.8 Å²	39.8	17%	0.171	23%	0.228	C	C	.	.	I	π-helix	trans	-94.1	-25.3	-171.5	-69.4	-66.4	0	0	0	114.8	F403 M405 F407 T644 K651	F403-F648 HydrophobicContact CE2-CE1 4.24Å; F403-F648 HydrophobicContact CE2-CZ 4.19Å; F403-F648 AromaticContact CZ-CE1 3.95Å; F403-F648 HydrophobicContact CZ-CE1 3.95Å; F403-F648 AromaticContact CZ-CZ 3.98Å; F403-F648 HydrophobicContact CZ-CZ 3.98Å; M405-F648 HydrophobicContact CE-CB 3.79Å; M405-F648 HydrophobicContact CE-CG 4.3Å; M405-F648 HydrophobicContact SD-CB 4.33Å; M405-F648 HydrophobicContact SD-CD2 4.2Å; M405-F648 HydrophobicContact SD-CG 4.2Å; F407-F648 HydrophobicContact CB-CD2 4.31Å; F407-F648 HydrophobicContact CB-CE2 3.77Å; T644-F648 HydrophobicContact CG2-CD2 3.64Å; T644-F648 HydrophobicContact CG2-CE2 4.08Å; T644-F648 PolarHBondContact O-N 3.47Å; F648-K651 WeakPolarHBondContact O-CE 3.36Å; F648-K651 PolarHBondContact O-NZ 2.87Å
649	I	94.4	Very high	92.7	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	23%	0.231	C	C	.	.	I	π-helix	trans	-110.5	-60.4	-175.4	-54.4	178.4	0	0	0	109.5	C631 Q632 Q634 L636 M640 I645 K651	C631-I649 HydrophobicContact CB-CG2 3.88Å; C631-I649 WeakPolarHBondContact O-CG2 3.33Å; Q632-I649 PolarHBondContact OE1-O 2.99Å; Q634-I649 HydrophobicContact CB-CG2 4.28Å; Q634-I649 HydrophobicContact CG-CD1 4.45Å; L636-I649 HydrophobicContact CD2-CD1 3.35Å; M640-I649 HydrophobicContact CE-CD1 3.83Å; M640-I649 HydrophobicContact SD-CD1 4.42Å; I645-I649 HydrophobicContact CG2-CB 4.29Å; I645-I649 HydrophobicContact CG2-CD1 4.47Å; I645-I649 WeakPolarHBondContact O-CA 3.46Å; I645-I649 WeakPolarHBondContact O-CB 3.05Å; I645-I649 PolarHBondContact O-N 3.36Å; I649-K651 PolarHBondContact O-N 3.14Å
650	W	94.5	Very high	92.9	Very high	30 Å²	30	36.6 Å²	36.6	11%	0.114	21%	0.206	C	C	.	.	I	π-helix	trans	-59.5	-52.9	-175.8	-179	-113.9	0	0	0	112	Q632 I645 Q652 D655 L656 V657	Q632-W650 HydrophobicContact CG-CE3 4.2Å; Q632-W650 HydrophobicContact CG-CZ3 4.34Å; Q632-W650 PolarHBondContact NE2-O 3.46Å; I645-W650 PolarHBondContact O-N 3.36Å; W650-Q652 HydrophobicContact CD2-CB 4.35Å; W650-Q652 HydrophobicContact CZ2-CB 4.04Å; W650-Q652 PolarHBondContact NE1-O 3.17Å; W650-Q652 VanDerWaalsContact NE1-O 3.1Å; W650-Q652 WeakPolarHBondContact O-CG 3.42Å; W650-Q652 PolarHBondContact O-N 2.63Å; W650-D655 WeakPolarHBondContact CZ2-O 3.13Å; W650-L656 HydrophobicContact CB-CD1 3.69Å; W650-L656 HydrophobicContact CD2-CD1 4.23Å; W650-L656 HydrophobicContact CE3-CD1 4.49Å; W650-L656 HydrophobicContact CG-CD1 3.89Å; W650-V657 HydrophobicContact CH2-CB 4.33Å; W650-V657 HydrophobicContact CH2-CG2 4.02Å; W650-V657 HydrophobicContact CZ3-CB 4.17Å; W650-V657 HydrophobicContact CZ3-CG2 4.37Å
651	K	90.5	Very high	92.7	Very high	155 Å²	155	40.3 Å²	40.3	67%	0.674	22%	0.218	S	C	*	.			trans	53.8	-2.6	173.4	-70.7	171.5	167	150.5	0	117	K646 H647 F648 I649	K646-K651 PolarHBondContact O-N 2.72Å; H647-K651 WeakPolarHBondContact O-CG 3.3Å; F648-K651 WeakPolarHBondContact O-CE 3.36Å; F648-K651 PolarHBondContact O-NZ 2.87Å; I649-K651 PolarHBondContact O-N 3.14Å
652	Q	88	Confident	92.3	Very high	115 Å²	115	41.2 Å²	41.2	54%	0.537	23%	0.227	S	C	.	.	S	Bend	trans	-98.6	159.3	-179	-66.1	179.6	49.8	0	0	110.5	W650	W650-Q652 HydrophobicContact CD2-CB 4.35Å; W650-Q652 HydrophobicContact CZ2-CB 4.04Å; W650-Q652 PolarHBondContact NE1-O 3.17Å; W650-Q652 VanDerWaalsContact NE1-O 3.1Å; W650-Q652 WeakPolarHBondContact O-CG 3.42Å; W650-Q652 PolarHBondContact O-N 2.63Å
653	G	85.5	Confident	91.6	Very high	74 Å²	74	44 Å²	44	76%	0.763	25%	0.245	S	C	*	.	S	Bend	trans	-64.4	159	167.6	0	0	0	0	0	111.9
654	G	89.8	Confident	90.3	Very high	52 Å²	52	56.6 Å²	56.6	54%	0.536	30%	0.299	S	S	.	.	S	Bend	trans	91.3	-162.3	175.1	0	0	0	0	0	115.5
655	D	92.9	Very high	90.2	Very high	37 Å²	37	59.3 Å²	59.3	20%	0.198	31%	0.314	C	S	.	.	S	Bend	trans	-80.7	141.1	-176	-61.8	-18.3	0	0	0	110.9	P550 Y552 R568 W650	P550-D655 HydrophobicContact CB-CB 4.43Å; P550-D655 HydrophobicContact CG-CB 4.36Å; P550-D655 WeakPolarHBondContact CG-OD1 3.4Å; Y552-D655 HydrophobicContact CD2-CB 4Å; Y552-D655 HydrophobicContact CE2-CB 3.7Å; Y552-D655 WeakPolarHBondContact CE2-OD2 3.4Å; R568-D655 IonicContact CZ-OD1 2.84Å; R568-D655 IonicContact CZ-OD2 2.91Å; R568-D655 VanDerWaalsContact CZ-OD2 3.22Å; R568-D655 IonicContact NE-OD1 2.73Å; R568-D655 IonicContact NE-OD2 3.99Å; R568-D655 PolarHBondContact NE-OD2 3.22Å; R568-D655 IonicContact NH2-OD1 3.44Å; R568-D655 PolarHBondContact NH2-OD1 2.92Å; R568-D655 IonicContact NH2-OD2 3.94Å; R568-D655 PolarHBondContact NH2-OD2 3.11Å; W650-D655 WeakPolarHBondContact CZ2-O 3.13Å
656	L	94.7	Very high	89.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.9	178.4	173.9	65.8	0	0	0	110.4	P550 F551 Y552 L642 I645 W650 L658	P550-L656 PolarHBondContact O-N 2.69Å; F551-L656 CarbonylContact C-O 3.47Å; F551-L656 WeakPolarHBondContact CA-O 3.34Å; F551-L656 HydrophobicContact CB-CB 3.85Å; F551-L656 HydrophobicContact CB-CD2 4.29Å; F551-L656 HydrophobicContact CB-CG 4.23Å; F551-L656 WeakPolarHBondContact CB-O 3.19Å; Y552-L656 PolarHBondContact N-O 2.87Å; L642-L656 HydrophobicContact CB-CD2 4.29Å; L642-L656 HydrophobicContact CD2-CD2 3.99Å; I645-L656 HydrophobicContact CG2-CD1 3.84Å; I645-L656 HydrophobicContact CG2-CD2 4.34Å; W650-L656 HydrophobicContact CB-CD1 3.69Å; W650-L656 HydrophobicContact CD2-CD1 4.23Å; W650-L656 HydrophobicContact CE3-CD1 4.49Å; W650-L656 HydrophobicContact CG-CD1 3.89Å; L656-L658 HydrophobicContact CD1-CD2 4.06Å; L656-L658 HydrophobicContact CD2-CD1 4.37Å; L656-L658 HydrophobicContact CD2-CD2 4Å; L656-L658 HydrophobicContact CD2-CG 4.15Å; L656-L658 HydrophobicContact CG-CD2 3.95Å; L656-L658 HydrophobicContact CG-CG 4.12Å
657	V	94.9	Very high	89.6	Confident	27 Å²	27	62 Å²	62	16%	0.164	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121	174.5	-177.2	0	0	0	0	109.4	Y552 L554 W650	Y552-V657 HydrophobicContact CD2-CG2 4.32Å; L554-V657 HydrophobicContact CD1-CG1 3.61Å; L554-V657 HydrophobicContact CG-CG1 4.15Å; W650-V657 HydrophobicContact CH2-CB 4.33Å; W650-V657 HydrophobicContact CH2-CG2 4.02Å; W650-V657 HydrophobicContact CZ3-CB 4.17Å; W650-V657 HydrophobicContact CZ3-CG2 4.37Å
658	L	95.5	Very high	89.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.7	177	-60.6	-175.2	0	0	0	109.6	F551 Y552 L553 L554 V580 Y630 C631 L636 L642 I645 L656	F551-L658 HydrophobicContact CD2-CD1 4.17Å; Y552-L658 PolarHBondContact O-N 2.9Å; L553-L658 WeakPolarHBondContact CA-O 3.31Å; L553-L658 HydrophobicContact CD2-CB 3.79Å; L553-L658 HydrophobicContact CD2-CD1 4.39Å; L554-L658 PolarHBondContact N-O 3.39Å; V580-L658 HydrophobicContact CG1-CD1 4.27Å; Y630-L658 CarbonylContact O-C 3.55Å; Y630-L658 WeakPolarHBondContact O-CA 3.19Å; C631-L658 HydrophobicContact CB-CD2 4.03Å; L636-L658 HydrophobicContact CD1-CD2 3.68Å; L642-L658 HydrophobicContact CD2-CD1 3.72Å; I645-L658 HydrophobicContact CG2-CD2 4.2Å; L656-L658 HydrophobicContact CD1-CD2 4.06Å; L656-L658 HydrophobicContact CD2-CD1 4.37Å; L656-L658 HydrophobicContact CD2-CD2 4Å; L656-L658 HydrophobicContact CD2-CG 4.15Å; L656-L658 HydrophobicContact CG-CD2 3.95Å; L656-L658 HydrophobicContact CG-CG 4.12Å
659	C	93.6	Very high	89.2	Confident	31 Å²	31	61.7 Å²	61.7	21%	0.209	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130	177.6	-63.3	0	0	0	0	110.5	L554 H556 L629 Y630	L554-C659 CarbonylContact O-C 3.58Å; L554-C659 WeakPolarHBondContact O-CA 3.25Å; H556-C659 HydrophobicContact CB-CB 4.26Å; L629-C659 CarbonylContact C-O 3.45Å; L629-C659 WeakPolarHBondContact CA-O 3.41Å; Y630-C659 PolarHBondContact N-O 3.17Å; Y630-C659 PolarHBondContact O-N 3.31Å
660	Y	91.9	Very high	88.8	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.016	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.2	177.1	62.5	-92.9	0	0	0	112.1	L553 L554 P555 H556 F559 L561 V584 I588 L589 E628	L553-Y660 HydrophobicContact CB-CD1 4.31Å; L553-Y660 HydrophobicContact CB-CE1 4.38Å; L554-Y660 WeakPolarHBondContact O-CD1 3.41Å; L554-Y660 WeakPolarHBondContact O-CE1 3.41Å; L554-Y660 PolarHBondContact O-N 3.28Å; P555-Y660 HydrophobicContact CB-CE2 4.13Å; H556-Y660 WeakPolarHBondContact CB-O 3.36Å; H556-Y660 PolarHBondContact N-O 3.39Å; F559-Y660 HydrophobicContact CD1-CD2 4.42Å; F559-Y660 HydrophobicContact CD1-CE2 4.04Å; F559-Y660 HydrophobicContact CE1-CD2 4.37Å; F559-Y660 AromaticContact CE1-CE2 3.88Å; F559-Y660 HydrophobicContact CE1-CE2 3.88Å; L561-Y660 HydrophobicContact CD2-CE2 4.49Å; L561-Y660 WeakPolarHBondContact CD2-OH 3.49Å; V584-Y660 HydrophobicContact CG1-CD1 4.32Å; V584-Y660 HydrophobicContact CG1-CD2 3.71Å; V584-Y660 HydrophobicContact CG1-CE2 4.37Å; V584-Y660 HydrophobicContact CG1-CG 3.7Å; V584-Y660 HydrophobicContact CG2-CD1 4.28Å; V584-Y660 HydrophobicContact CG2-CG 4.23Å; I588-Y660 HydrophobicContact CD1-CD1 4.4Å; I588-Y660 HydrophobicContact CD1-CE1 3.94Å; I588-Y660 HydrophobicContact CG2-CE1 4.34Å; I588-Y660 HydrophobicContact CG2-CE2 3.99Å; I588-Y660 WeakPolarHBondContact CG2-OH 3.39Å; L589-Y660 HydrophobicContact CD2-CE2 4.44Å; E628-Y660 WeakPolarHBondContact O-CA 3.24Å
661	R	88.7	Confident	88.4	Confident	96 Å²	96	67.9 Å²	67.9	36%	0.362	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.9	177.4	179.9	-176.8	173.3	-174.1	-3.8	109.2	H556 I627 E628 Y630	H556-R661 HydrophobicContact CB-CB 3.92Å; I627-R661 WeakPolarHBondContact CA-O 3.28Å; E628-R661 PolarHBondContact N-O 3.07Å; E628-R661 PolarHBondContact O-N 3.3Å; Y630-R661 HydrophobicContact CE2-CB 4.17Å
662	A	84.7	Confident	88.3	Confident	28 Å²	28	61.2 Å²	61.2	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.5	166.2	0	0	0	0	0	109.8	F559 L589 R626	F559-A662 HydrophobicContact CD2-CB 4.31Å; F559-A662 HydrophobicContact CE2-CB 3.54Å; F559-A662 HydrophobicContact CZ-CB 4.08Å; L589-A662 HydrophobicContact CD1-CB 4.41Å; R626-A662 CarbonylContact O-C 3.53Å; R626-A662 WeakPolarHBondContact O-CA 3.29Å
663	V	81.4	Confident	88.3	Confident	59 Å²	59	56.8 Å²	56.8	36%	0.358	34%	0.335	S	S	.	.			trans	-76.6	128.1	169.7	-173.4	0	0	0	0	106.8	E625 R626 E628	E625-V663 WeakPolarHBondContact O-CB 3.39Å; E625-V663 WeakPolarHBondContact O-CG1 3.35Å; E625-V663 WeakPolarHBondContact O-CG2 3.5Å; R626-V663 PolarHBondContact O-N 3.46Å; E628-V663 HydrophobicContact CG-CG2 3.59Å
664	K	65.8	Low	88.5	Confident	273 Å²	273	55.2 Å²	55.2	100%	1.187	30%	0.296	S	S	*	.			trans	-82.1	0	-178.2	-78.3	-171.2	177.7	-177.3	0	111.6

Retrieved 664 of 664 residues in 399.3 ms (Link to these results)

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