A0A087XA90_POEFO Loading...

Polyadenylate-binding protein

Binds the poly(A) tail of mRNA.

AlphaFold DB , UniProt , Accession A0A087XA90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 626 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	47.8	Very low	239 Å²	239	110.1 Å²	110.1	100%	1.177	66%	0.663	S	S	*	*				0	127.9	0	-71.7	170.5	169.4	0	0	108.5
2	N	33	Very low	51.4	Low	166 Å²	166	101.5 Å²	101.5	89%	0.888	61%	0.611	S	S	*	*			trans	175.8	73.4	152.8	-97.9	-8.5	0	0	0	107.8	A4	N2-A4 PolarHBondContact O-N 2.78Å; N2-A4 VanDerWaalsContact O-N 3.15Å
3	T	38.1	Very low	54.7	Low	123 Å²	123	93.7 Å²	93.7	76%	0.755	56%	0.564	S	S	*	*			trans	-79.9	90.1	179.9	42.1	0	0	0	0	109.9	T5	T3-T5 PolarHBondContact O-N 3.5Å
4	A	38	Very low	57.5	Low	105 Å²	105	90.7 Å²	90.7	87%	0.868	54%	0.539	S	S	*	.			trans	-74.2	55.2	165.8	0	0	0	0	0	110.6	N2 G6	N2-A4 PolarHBondContact O-N 2.78Å; N2-A4 VanDerWaalsContact O-N 3.15Å; A4-G6 PolarHBondContact O-N 3.19Å; A4-G6 VanDerWaalsContact O-N 3.08Å
5	T	42.5	Very low	60	Low	107 Å²	107	84.7 Å²	84.7	66%	0.656	50%	0.503	S	S	*	.			trans	-62.5	110	176	43.2	0	0	0	0	109.1	T3 S7	T3-T5 PolarHBondContact O-N 3.5Å; T5-S7 PolarHBondContact O-N 3.26Å; T5-S7 VanDerWaalsContact O-N 3.1Å
6	G	41.2	Very low	62.1	Low	50 Å²	50	79.4 Å²	79.4	52%	0.515	47%	0.471	S	S	.	.			trans	-54.8	118.1	168.2	0	0	0	0	0	108.9	A4 Y8	A4-G6 PolarHBondContact O-N 3.19Å; A4-G6 VanDerWaalsContact O-N 3.08Å; G6-Y8 WeakPolarHBondContact O-CD2 3.3Å; G6-Y8 PolarHBondContact O-N 3.1Å
7	S	37	Very low	63.8	Low	107 Å²	107	77.6 Å²	77.6	75%	0.748	46%	0.459	S	S	*	.			trans	-64.4	108.7	-176.1	-176.1	0	0	0	0	109.6	T5 P9	T5-S7 PolarHBondContact O-N 3.26Å; T5-S7 VanDerWaalsContact O-N 3.1Å; S7-P9 WeakPolarHBondContact O-CD 3.39Å
8	Y	53.3	Low	65.5	Low	87 Å²	87	73.6 Å²	73.6	34%	0.341	44%	0.435	S	S	.	.			trans	-88.9	97.1	164.6	-66.9	-75.6	0	0	0	107.3	G6 M10 W86	G6-Y8 WeakPolarHBondContact O-CD2 3.3Å; G6-Y8 PolarHBondContact O-N 3.1Å; Y8-M10 PolarHBondContact O-N 2.61Å; Y8-W86 HydrophobicContact CD1-CB 4.34Å; Y8-W86 AromaticContact CD2-CD2 3.97Å; Y8-W86 HydrophobicContact CD2-CD2 3.97Å; Y8-W86 HydrophobicContact CD2-CE3 4.27Å; Y8-W86 HydrophobicContact CD2-CG 4.07Å; Y8-W86 HydrophobicContact CE1-CB 3.89Å; Y8-W86 HydrophobicContact CE1-CG 4.41Å; Y8-W86 HydrophobicContact CE2-CB 4.08Å; Y8-W86 AromaticContact CE2-CD1 3.85Å; Y8-W86 HydrophobicContact CE2-CD2 4.13Å; Y8-W86 AromaticContact CE2-CG 3.75Å; Y8-W86 HydrophobicContact CE2-CG 3.75Å; Y8-W86 HydrophobicContact CG-CD2 4.35Å; Y8-W86 HydrophobicContact CG-CE3 4.26Å; Y8-W86 AromaticContact CZ-CG 3.94Å
9	P	54.2	Low	66.9	Low	120 Å²	120	71.9 Å²	71.9	78%	0.779	42%	0.423	S	S	*	.	S	Bend	trans	-71.4	11.8	-175.4	32.4	-39.7	0	0	0	113.6	S7	S7-P9 WeakPolarHBondContact O-CD 3.39Å
10	M	61.4	Low	68.2	Low	97 Å²	97	71.6 Å²	71.6	48%	0.478	42%	0.423	S	S	.	.	S	Bend	trans	-140.4	128.8	175.3	-47.8	-167.4	83.2	0	0	107.8	Y8 S12 R89	Y8-M10 PolarHBondContact O-N 2.61Å; M10-S12 WeakPolarHBondContact CB-OG 3.34Å; M10-S12 PolarHBondContact O-N 3.43Å; M10-R89 PolarHBondContact SD-NH2 3.14Å
11	A	85.9	Confident	69.3	Low	10 Å²	10	72.3 Å²	72.3	8%	0.083	42%	0.424	C	S	.	.			trans	-74	55.4	173.7	0	0	0	0	0	111.2	N58 F59 Q61 P62 A65	A11-N58 WeakPolarHBondContact O-CA 3.48Å; A11-F59 HydrophobicContact CB-CB 4.06Å; A11-F59 PolarHBondContact O-N 3.43Å; A11-Q61 WeakPolarHBondContact CB-O 3.18Å; A11-P62 HydrophobicContact CB-CG 4.41Å; A11-A65 HydrophobicContact CB-CB 4.06Å
12	S	91.4	Very high	71.9	Confident	7 Å²	7	60.9 Å²	60.9	5%	0.049	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.8	-169.7	-66.6	0	0	0	0	110.5	M10 V57 N58 S87	M10-S12 WeakPolarHBondContact CB-OG 3.34Å; M10-S12 PolarHBondContact O-N 3.43Å; S12-V57 WeakPolarHBondContact CA-O 3.22Å; S12-N58 WeakPolarHBondContact CB-OD1 3.37Å; S12-N58 PolarHBondContact OG-OD1 2.79Å; S12-S87 WeakPolarHBondContact O-CB 3.29Å; S12-S87 PolarHBondContact O-N 2.95Å
13	L	94.1	Very high	74.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.2	172.9	-56.7	179.6	0	0	0	110.8	Y56 V57 F59 A65 A68 I84 M85 W86	L13-Y56 WeakPolarHBondContact O-CA 3.24Å; L13-V57 PolarHBondContact N-O 3.25Å; L13-V57 PolarHBondContact O-N 3.28Å; L13-F59 HydrophobicContact CD1-CD2 4.35Å; L13-F59 HydrophobicContact CD1-CE2 3.76Å; L13-F59 HydrophobicContact CG-CE2 4.43Å; L13-A65 HydrophobicContact CD1-CB 4.21Å; L13-A65 WeakPolarHBondContact CD1-O 3.27Å; L13-A65 HydrophobicContact CD2-CB 4.05Å; L13-A65 HydrophobicContact CG-CB 4Å; L13-A68 HydrophobicContact CD1-CB 3.83Å; L13-I84 HydrophobicContact CB-CG2 4.07Å; L13-I84 HydrophobicContact CD1-CG2 3.68Å; L13-I84 HydrophobicContact CD2-CG2 4.33Å; L13-I84 HydrophobicContact CG-CG2 4.24Å; L13-M85 CarbonylContact C-O 3.52Å; L13-M85 WeakPolarHBondContact CA-O 3.39Å; L13-W86 HydrophobicContact CD2-CD2 4.11Å; L13-W86 HydrophobicContact CD2-CE3 3.78Å; L13-W86 HydrophobicContact CD2-CZ3 4Å
14	Y	94.3	Very high	77.5	Confident	52 Å²	52	53.2 Å²	53.2	20%	0.204	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.4	160.5	167.5	-88.6	0	0	0	107.9	Y54 Y56 I84 M85	Y14-Y54 HydrophobicContact CD2-CD2 4.04Å; Y14-Y54 HydrophobicContact CE2-CD1 4.48Å; Y14-Y54 AromaticContact CE2-CD2 3.49Å; Y14-Y54 HydrophobicContact CE2-CD2 3.49Å; Y14-Y54 VanDerWaalsContact CE2-CD2 3.49Å; Y14-Y54 HydrophobicContact CE2-CE2 4.28Å; Y14-Y54 AromaticContact CE2-CG 3.62Å; Y14-Y54 HydrophobicContact CE2-CG 3.62Å; Y14-Y56 AromaticContact CD2-CE1 3.88Å; Y14-Y56 HydrophobicContact CD2-CE1 3.88Å; Y14-I84 CarbonylContact O-C 3.54Å; Y14-I84 WeakPolarHBondContact O-CA 3.49Å; Y14-M85 HydrophobicContact CD1-CB 4.24Å; Y14-M85 HydrophobicContact CD1-CG 4.19Å; Y14-M85 HydrophobicContact CD1-SD 4.06Å; Y14-M85 HydrophobicContact CE1-SD 4.33Å; Y14-M85 PolarHBondContact N-O 3.02Å; Y14-M85 PolarHBondContact O-N 2.84Å
15	V	95.3	Very high	80.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	102.3	177	-170.1	0	0	0	0	108.1	L18 F31 Y54 A55 V57 I82 I84	V15-L18 HydrophobicContact CG1-CD2 3.83Å; V15-F31 HydrophobicContact CG1-CE2 4.26Å; V15-F31 HydrophobicContact CG1-CZ 4.19Å; V15-F31 HydrophobicContact CG2-CE2 3.88Å; V15-F31 HydrophobicContact CG2-CZ 3.83Å; V15-Y54 CarbonylContact O-C 3.57Å; V15-Y54 WeakPolarHBondContact O-CA 3.34Å; V15-Y54 WeakPolarHBondContact O-CB 3.32Å; V15-A55 PolarHBondContact N-O 3.44Å; V15-A55 PolarHBondContact O-N 2.86Å; V15-V57 HydrophobicContact CG2-CB 4.43Å; V15-V57 HydrophobicContact CG2-CG2 3.8Å; V15-I82 HydrophobicContact CG1-CB 4Å; V15-I82 HydrophobicContact CG1-CD1 4.27Å; V15-I82 HydrophobicContact CG1-CG1 4.43Å; V15-I84 HydrophobicContact CG1-CG1 4.41Å
16	G	92.8	Very high	82.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	176.8	-176.9	0	0	0	0	0	114.3	L18 G53 R83	G16-L18 PolarHBondContact O-N 2.99Å; G16-G53 CarbonylContact C-O 3.56Å; G16-R83 PolarHBondContact N-O 3.48Å; G16-R83 PolarHBondContact O-N 3.26Å
17	D	91.1	Very high	85.4	Confident	49 Å²	49	47 Å²	47	26%	0.262	27%	0.267	S	S	.	.	S	Bend	trans	61.1	22.2	177	-66.2	-65.9	0	0	0	115.3	G53 R83 K129	D17-G53 PolarHBondContact N-O 2.76Å; D17-R83 HydrophobicContact CB-CB 4.49Å; D17-R83 IonicContact OD2-CZ 2.8Å; D17-R83 VanDerWaalsContact OD2-CZ 3.26Å; D17-R83 IonicContact OD2-NE 3.74Å; D17-R83 PolarHBondContact OD2-NE 2.62Å; D17-R83 IonicContact OD2-NH2 3.7Å; D17-R83 PolarHBondContact OD2-NH2 2.81Å; D17-K129 VanDerWaalsContact CG-NZ 3.27Å; D17-K129 IonicContact OD1-NZ 2.64Å; D17-K129 PolarHBondContact OD1-NZ 2.65Å; D17-K129 IonicContact OD2-NZ 2.71Å
18	L	94.2	Very high	88.2	Confident	6 Å²	6	48 Å²	48	3%	0.031	26%	0.256	C	S	.	.			trans	-60.6	142.4	178.2	-60.8	-176.4	0	0	0	112.7	V15 G16 I22 L27 G53 A55 I82	V15-L18 HydrophobicContact CG1-CD2 3.83Å; G16-L18 PolarHBondContact O-N 2.99Å; L18-I22 HydrophobicContact CB-CD1 4.08Å; L18-I22 HydrophobicContact CD1-CG2 4.27Å; L18-I22 HydrophobicContact CD2-CD1 4Å; L18-L27 HydrophobicContact CD1-CD1 4.04Å; L18-L27 HydrophobicContact CD2-CD2 4.07Å; L18-G53 PolarHBondContact N-O 2.91Å; L18-A55 HydrophobicContact CD1-CB 3.64Å; L18-I82 HydrophobicContact CD2-CB 4.27Å; L18-I82 HydrophobicContact CD2-CG2 3.72Å
19	H	92.8	Very high	90.2	Very high	42 Å²	42	50.7 Å²	50.7	19%	0.194	27%	0.271	C	S	.	.			trans	-59.7	138.4	166	-168.1	-78.6	0	0	0	110.9	D21 I22 K78 K80	H19-D21 VanDerWaalsContact C-N 3.26Å; H19-D21 VanDerWaalsContact CE1-CG 3.49Å; H19-D21 IonicContact CE1-OD1 3.88Å; H19-D21 IonicContact CE1-OD2 3.65Å; H19-D21 PolarHBondContact CE1-OD2 3.16Å; H19-D21 PolarHBondContact ND1-N 3.37Å; H19-D21 IonicContact ND1-OD1 3.94Å; H19-D21 IonicContact ND1-OD2 2.66Å; H19-D21 PolarHBondContact ND1-OD2 3.11Å; H19-D21 PolarHBondContact O-N 3.37Å; H19-D21 VanDerWaalsContact O-N 3.12Å; H19-I22 HydrophobicContact CB-CD1 3.89Å; H19-I22 HydrophobicContact CB-CG1 4.03Å; H19-I22 WeakPolarHBondContact O-CB 3.43Å; H19-I22 PolarHBondContact O-N 3.17Å; H19-K78 HydrophobicContact CB-CB 3.77Å; H19-K78 PolarHBondContact CD2-O 3.48Å; H19-K78 VanDerWaalsContact CD2-O 3.28Å; H19-K80 HydrophobicContact CB-CD 4.29Å
20	P	92	Very high	92.1	Very high	65 Å²	65	47.9 Å²	47.9	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.8	-173.4	-31.3	36.6	0	0	0	115.6	I22 S51	P20-I22 VanDerWaalsContact C-N 3.28Å; P20-I22 PolarHBondContact O-N 3.39Å; P20-S51 WeakPolarHBondContact O-CB 3.49Å
21	D	92.4	Very high	93.8	Very high	86 Å²	86	43.3 Å²	43.3	46%	0.46	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.8	-179.1	-31	-24.2	0	0	0	114.6	H19 T23 K78	H19-D21 VanDerWaalsContact C-N 3.26Å; H19-D21 VanDerWaalsContact CE1-CG 3.49Å; H19-D21 IonicContact CE1-OD1 3.88Å; H19-D21 IonicContact CE1-OD2 3.65Å; H19-D21 PolarHBondContact CE1-OD2 3.16Å; H19-D21 PolarHBondContact ND1-N 3.37Å; H19-D21 IonicContact ND1-OD1 3.94Å; H19-D21 IonicContact ND1-OD2 2.66Å; H19-D21 PolarHBondContact ND1-OD2 3.11Å; H19-D21 PolarHBondContact O-N 3.37Å; H19-D21 VanDerWaalsContact O-N 3.12Å; D21-T23 PolarHBondContact O-N 3.32Å; D21-K78 HydrophobicContact CB-CD 4.31Å; D21-K78 IonicContact OD2-NZ 3.27Å; D21-K78 PolarHBondContact OD2-NZ 3.38Å
22	I	94.8	Very high	94.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.			trans	-60.4	132.8	-177.7	-77.7	173.2	0	0	0	109.9	L18 H19 P20 L27 R44 V77 K78	L18-I22 HydrophobicContact CB-CD1 4.08Å; L18-I22 HydrophobicContact CD1-CG2 4.27Å; L18-I22 HydrophobicContact CD2-CD1 4Å; H19-I22 HydrophobicContact CB-CD1 3.89Å; H19-I22 HydrophobicContact CB-CG1 4.03Å; H19-I22 WeakPolarHBondContact O-CB 3.43Å; H19-I22 PolarHBondContact O-N 3.17Å; P20-I22 VanDerWaalsContact C-N 3.28Å; P20-I22 PolarHBondContact O-N 3.39Å; I22-L27 HydrophobicContact CG2-CD1 3.96Å; I22-L27 HydrophobicContact CG2-CD2 3.79Å; I22-L27 HydrophobicContact CG2-CG 3.6Å; I22-R44 PolarHBondContact O-NH2 3.39Å; I22-V77 HydrophobicContact CD1-CB 4Å; I22-V77 HydrophobicContact CD1-CG1 3.59Å; I22-V77 HydrophobicContact CG1-CG1 4.13Å; I22-K78 HydrophobicContact CG1-CD 4.47Å; I22-K78 HydrophobicContact CG1-CG 4.35Å
23	T	94.6	Very high	94.4	Very high	56 Å²	56	49.5 Å²	49.5	34%	0.344	27%	0.265	S	S	.	.			trans	-106.2	159.1	177.3	68.3	0	0	0	0	110.7	D21 A25 M26 L27	D21-T23 PolarHBondContact O-N 3.32Å; T23-A25 PolarHBondContact O-N 3Å; T23-M26 PolarHBondContact O-N 3.32Å; T23-M26 WeakPolarHBondContact OG1-CG 3.34Å; T23-M26 PolarHBondContact OG1-N 3.34Å; T23-L27 PolarHBondContact O-N 2.97Å
24	E	94.9	Very high	94.4	Very high	71 Å²	71	49.6 Å²	49.6	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-53.3	-34.3	172.9	-70.5	75.1	177.2	0	0	111.6	Y28 I40 V42 R44	E24-Y28 WeakPolarHBondContact O-CB 3.35Å; E24-Y28 PolarHBondContact O-N 2.88Å; E24-I40 HydrophobicContact CB-CG2 4.41Å; E24-I40 HydrophobicContact CG-CG2 4.41Å; E24-V42 HydrophobicContact CG-CB 4.48Å; E24-V42 HydrophobicContact CG-CG2 3.98Å; E24-V42 VanDerWaalsContact OE1-CB 3.29Å; E24-V42 WeakPolarHBondContact OE1-CB 3.16Å; E24-V42 PolarHBondContact OE1-N 3.04Å; E24-R44 IonicContact OE1-NE 2.77Å; E24-R44 IonicContact OE1-NH2 2.88Å; E24-R44 IonicContact OE2-CZ 3.82Å; E24-R44 IonicContact OE2-NE 3.2Å; E24-R44 IonicContact OE2-NH2 3.24Å; E24-R44 PolarHBondContact OE2-NH2 3.34Å
25	A	95.3	Very high	94.3	Very high	69 Å²	69	47.6 Å²	47.6	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-70	-44.1	176.6	0	0	0	0	0	113.2	T23 L27 Y28 E29	T23-A25 PolarHBondContact O-N 3Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.38Å; A25-Y28 WeakPolarHBondContact O-CB 3.39Å; A25-Y28 PolarHBondContact O-N 3.25Å; A25-Y28 VanDerWaalsContact O-N 3.08Å; A25-E29 PolarHBondContact O-N 3.11Å
26	M	95.4	Very high	94.3	Very high	64 Å²	64	51.8 Å²	51.8	32%	0.315	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-34.2	177.2	-64.4	-176.6	78.4	0	0	112.1	T23 K30 K78	T23-M26 PolarHBondContact O-N 3.32Å; T23-M26 WeakPolarHBondContact OG1-CG 3.34Å; T23-M26 PolarHBondContact OG1-N 3.34Å; M26-K30 WeakPolarHBondContact O-CB 3.22Å; M26-K30 PolarHBondContact O-N 2.62Å; M26-K30 VanDerWaalsContact O-N 3.11Å; M26-K78 HydrophobicContact CE-CD 4.04Å; M26-K78 HydrophobicContact CE-CG 3.68Å; M26-K78 HydrophobicContact SD-CD 4.18Å; M26-K78 HydrophobicContact SD-CG 4.39Å
27	L	95.7	Very high	94.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-72.3	-35.6	173.1	-64.8	177.5	0	0	0	111.7	L18 I22 T23 A25 K30 F31 I40 V42 A55	L18-L27 HydrophobicContact CD1-CD1 4.04Å; L18-L27 HydrophobicContact CD2-CD2 4.07Å; I22-L27 HydrophobicContact CG2-CD1 3.96Å; I22-L27 HydrophobicContact CG2-CD2 3.79Å; I22-L27 HydrophobicContact CG2-CG 3.6Å; T23-L27 PolarHBondContact O-N 2.97Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 3.38Å; L27-K30 PolarHBondContact O-N 2.87Å; L27-F31 HydrophobicContact CB-CD2 4.35Å; L27-F31 HydrophobicContact CD2-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 VanDerWaalsContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.36Å; L27-F31 PolarHBondContact O-N 2.87Å; L27-I40 VanDerWaalsContact C-CD1 3.49Å; L27-I40 HydrophobicContact CB-CD1 3.75Å; L27-I40 HydrophobicContact CB-CG2 3.99Å; L27-I40 HydrophobicContact CD1-CG2 3.84Å; L27-V42 HydrophobicContact CD1-CG2 3.85Å; L27-A55 HydrophobicContact CD1-CB 3.54Å
28	Y	95.9	Very high	94.5	Very high	128 Å²	128	56.3 Å²	56.3	50%	0.502	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-46.5	176.4	-176.7	-90.8	0	0	0	111.4	E24 A25 K30 F31 S32 V37 I40	E24-Y28 WeakPolarHBondContact O-CB 3.35Å; E24-Y28 PolarHBondContact O-N 2.88Å; A25-Y28 WeakPolarHBondContact O-CB 3.39Å; A25-Y28 PolarHBondContact O-N 3.25Å; A25-Y28 VanDerWaalsContact O-N 3.08Å; Y28-K30 VanDerWaalsContact C-N 3.32Å; Y28-K30 PolarHBondContact O-N 2.73Å; Y28-F31 PolarHBondContact O-N 2.93Å; Y28-S32 WeakPolarHBondContact O-CB 3.23Å; Y28-S32 PolarHBondContact O-N 3.48Å; Y28-S32 PolarHBondContact O-OG 3.33Å; Y28-V37 HydrophobicContact CD2-CB 4.15Å; Y28-V37 HydrophobicContact CD2-CG1 4.43Å; Y28-V37 HydrophobicContact CE2-CB 4.07Å; Y28-I40 VanDerWaalsContact CA-CD1 3.49Å; Y28-I40 VanDerWaalsContact N-CD1 3.29Å
29	E	95.1	Very high	94.5	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-53.8	-50	171.8	-176.6	-179	-173.6	0	0	110.7	A25 F31 S32 P33	A25-E29 PolarHBondContact O-N 3.11Å; E29-F31 PolarHBondContact O-N 2.9Å; E29-S32 PolarHBondContact O-OG 2.77Å; E29-P33 WeakPolarHBondContact O-CD 3.33Å
30	K	95.1	Very high	94.6	Very high	61 Å²	61	58.2 Å²	58.2	27%	0.265	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-39.9	-179.5	-178.9	57.8	-169	169.2	0	113.9	M26 L27 Y28 P33 M72 D75 V77	M26-K30 WeakPolarHBondContact O-CB 3.22Å; M26-K30 PolarHBondContact O-N 2.62Å; M26-K30 VanDerWaalsContact O-N 3.11Å; L27-K30 PolarHBondContact O-N 2.87Å; Y28-K30 VanDerWaalsContact C-N 3.32Å; Y28-K30 PolarHBondContact O-N 2.73Å; K30-P33 WeakPolarHBondContact O-CD 3.23Å; K30-M72 VanDerWaalsContact O-CE 3.26Å; K30-M72 WeakPolarHBondContact O-CE 3.49Å; K30-D75 WeakPolarHBondContact CE-OD2 3.23Å; K30-D75 VanDerWaalsContact NZ-CG 3.33Å; K30-D75 IonicContact NZ-OD1 3.58Å; K30-D75 IonicContact NZ-OD2 3.85Å; K30-D75 PolarHBondContact NZ-OD2 3.35Å; K30-V77 HydrophobicContact CG-CG2 4.41Å
31	F	96	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-93.8	-18.2	-173.2	-76.6	-62.1	0	0	0	115.2	V15 L27 Y28 E29 P33 A34 V37 V57 F59 A68 M72 I82 I84	V15-F31 HydrophobicContact CG1-CE2 4.26Å; V15-F31 HydrophobicContact CG1-CZ 4.19Å; V15-F31 HydrophobicContact CG2-CE2 3.88Å; V15-F31 HydrophobicContact CG2-CZ 3.83Å; L27-F31 HydrophobicContact CB-CD2 4.35Å; L27-F31 HydrophobicContact CD2-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 VanDerWaalsContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.36Å; L27-F31 PolarHBondContact O-N 2.87Å; Y28-F31 PolarHBondContact O-N 2.93Å; E29-F31 PolarHBondContact O-N 2.9Å; F31-P33 VanDerWaalsContact C-N 3.33Å; F31-A34 WeakPolarHBondContact O-CB 3.11Å; F31-A34 PolarHBondContact O-N 2.81Å; F31-V37 HydrophobicContact CB-CG2 4.07Å; F31-V57 HydrophobicContact CB-CG1 4.41Å; F31-V57 HydrophobicContact CD2-CG1 4.24Å; F31-V57 HydrophobicContact CD2-CG2 3.83Å; F31-V57 HydrophobicContact CE2-CG2 3.91Å; F31-V57 HydrophobicContact CG-CG1 4.28Å; F31-F59 HydrophobicContact CB-CE1 4.48Å; F31-F59 HydrophobicContact CB-CZ 3.93Å; F31-F59 AromaticContact CD1-CZ 3.96Å; F31-F59 HydrophobicContact CD1-CZ 3.96Å; F31-F59 HydrophobicContact CG-CZ 4.2Å; F31-A68 HydrophobicContact CD1-CB 3.98Å; F31-A68 HydrophobicContact CE1-CB 4.15Å; F31-M72 HydrophobicContact CD1-SD 3.57Å; F31-M72 VanDerWaalsContact CD1-SD 3.57Å; F31-M72 HydrophobicContact CE1-CB 4.17Å; F31-M72 HydrophobicContact CE1-SD 3.93Å; F31-M72 HydrophobicContact CG-SD 4.48Å; F31-I82 HydrophobicContact CE2-CD1 4.42Å; F31-I82 HydrophobicContact CZ-CD1 3.87Å; F31-I84 HydrophobicContact CE1-CD1 3.63Å; F31-I84 HydrophobicContact CZ-CD1 3.75Å; F31-I84 HydrophobicContact CZ-CG1 4.27Å
32	S	94.9	Very high	94.9	Very high	51 Å²	51	59.5 Å²	59.5	36%	0.357	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-57.6	-31.4	178.6	61.3	0	0	0	0	115.4	Y28 E29 A34 G35	Y28-S32 WeakPolarHBondContact O-CB 3.23Å; Y28-S32 PolarHBondContact O-N 3.48Å; Y28-S32 PolarHBondContact O-OG 3.33Å; E29-S32 PolarHBondContact O-OG 2.77Å; S32-A34 PolarHBondContact O-N 3.04Å; S32-G35 PolarHBondContact O-N 3.46Å; S32-G35 VanDerWaalsContact O-N 3.14Å
33	P	96	Very high	94.8	Very high	97 Å²	97	60.4 Å²	60.4	63%	0.63	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-66.9	-22.3	172.8	-20.5	34.3	0	0	0	113.7	E29 K30 F31 G35 M72	E29-P33 WeakPolarHBondContact O-CD 3.33Å; K30-P33 WeakPolarHBondContact O-CD 3.23Å; F31-P33 VanDerWaalsContact C-N 3.33Å; P33-G35 VanDerWaalsContact C-N 3.3Å; P33-M72 HydrophobicContact CB-CE 4.01Å; P33-M72 HydrophobicContact CG-CE 4.35Å
34	A	93.6	Very high	94.9	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.008	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-81.5	-7.5	175.2	0	0	0	0	0	113.2	F31 S32 F59 D64 R67 A68 M72	F31-A34 WeakPolarHBondContact O-CB 3.11Å; F31-A34 PolarHBondContact O-N 2.81Å; S32-A34 PolarHBondContact O-N 3.04Å; A34-F59 HydrophobicContact CB-CE1 4.02Å; A34-F59 HydrophobicContact CB-CZ 4.19Å; A34-D64 WeakPolarHBondContact O-CA 3.43Å; A34-D64 VanDerWaalsContact O-CB 3.28Å; A34-D64 WeakPolarHBondContact O-CB 3.24Å; A34-R67 PolarHBondContact O-NE 3.43Å; A34-R67 PolarHBondContact O-NH2 3.34Å; A34-A68 HydrophobicContact CB-CB 3.61Å; A34-M72 HydrophobicContact CB-CE 3.7Å; A34-M72 HydrophobicContact CB-SD 4.02Å
35	G	93.4	Very high	94.7	Very high	11 Å²	11	60.7 Å²	60.7	11%	0.113	32%	0.32	C	S	.	.	S	Bend	trans	134.6	-179.4	172.3	0	0	0	0	0	114.1	S32 P33 V37	S32-G35 PolarHBondContact O-N 3.46Å; S32-G35 VanDerWaalsContact O-N 3.14Å; P33-G35 VanDerWaalsContact C-N 3.3Å; G35-V37 PolarHBondContact O-N 3.21Å
36	P	94.1	Very high	94.4	Very high	88 Å²	88	65.1 Å²	65.1	57%	0.571	33%	0.331	S	S	*	.			trans	-63.2	107.8	-177	-24	35.7	0	0	0	112.9	F59 S60 D64	P36-F59 CarbonylContact O-C 3.46Å; P36-S60 PolarHBondContact O-N 3Å; P36-D64 WeakPolarHBondContact CD-OD2 3.5Å
37	V	94.6	Very high	94.2	Very high	20 Å²	20	69 Å²	69	12%	0.121	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.1	176.1	-176.8	0	0	0	0	110.1	Y28 F31 G35 I40 V57 N58 F59	Y28-V37 HydrophobicContact CD2-CB 4.15Å; Y28-V37 HydrophobicContact CD2-CG1 4.43Å; Y28-V37 HydrophobicContact CE2-CB 4.07Å; F31-V37 HydrophobicContact CB-CG2 4.07Å; G35-V37 PolarHBondContact O-N 3.21Å; V37-I40 HydrophobicContact CG1-CD1 4.04Å; V37-I40 HydrophobicContact CG1-CG1 3.63Å; V37-V57 HydrophobicContact CG1-CG1 3.95Å; V37-N58 CarbonylContact C-O 3.49Å; V37-F59 HydrophobicContact CG2-CD1 4.03Å; V37-F59 HydrophobicContact CG2-CE1 3.69Å; V37-F59 HydrophobicContact CG2-CZ 4.21Å
38	L	93.4	Very high	94.1	Very high	123 Å²	123	72.1 Å²	72.1	64%	0.644	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	-40.4	175.5	-71.6	177.7	0	0	0	112.7	N58 F59	L38-N58 HydrophobicContact CB-CB 4.47Å; L38-N58 PolarHBondContact N-O 2.85Å; L38-F59 WeakPolarHBondContact CD1-O 3.09Å
39	S	93.7	Very high	93.7	Very high	56 Å²	56	74.8 Å²	74.8	39%	0.392	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	150.1	179.5	51.4	0	0	0	0	113.1	N58	S39-N58 PolarHBondContact N-O 3.01Å; S39-N58 PolarHBondContact O-N 2.84Å; S39-N58 PolarHBondContact OG-ND2 3.33Å
40	I	95.9	Very high	93.5	Very high	32 Å²	32	76.2 Å²	76.2	16%	0.164	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.1	171.2	-57.7	-170.7	0	0	0	109.1	E24 L27 Y28 V37 Y56 V57	E24-I40 HydrophobicContact CB-CG2 4.41Å; E24-I40 HydrophobicContact CG-CG2 4.41Å; L27-I40 VanDerWaalsContact C-CD1 3.49Å; L27-I40 HydrophobicContact CB-CD1 3.75Å; L27-I40 HydrophobicContact CB-CG2 3.99Å; L27-I40 HydrophobicContact CD1-CG2 3.84Å; Y28-I40 VanDerWaalsContact CA-CD1 3.49Å; Y28-I40 VanDerWaalsContact N-CD1 3.29Å; V37-I40 HydrophobicContact CG1-CD1 4.04Å; V37-I40 HydrophobicContact CG1-CG1 3.63Å; I40-Y56 WeakPolarHBondContact CA-O 3.46Å; I40-V57 HydrophobicContact CD1-CG1 4.41Å; I40-V57 HydrophobicContact CD1-CG2 4.25Å; I40-V57 HydrophobicContact CG1-CG1 4.22Å; I40-V57 HydrophobicContact CG1-CG2 4.17Å; I40-V57 HydrophobicContact CG2-CG2 4.28Å
41	R	94.9	Very high	93.3	Very high	171 Å²	171	74.2 Å²	74.2	65%	0.645	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	106.3	175.3	-178.7	-174.9	-60.4	-84.3	-1.2	109.5	C43 A55 Y56	R41-C43 PolarHBondContact O-N 3.25Å; R41-A55 CarbonylContact O-C 3.59Å; R41-A55 WeakPolarHBondContact O-CA 3.45Å; R41-A55 WeakPolarHBondContact O-CB 3.4Å; R41-Y56 PolarHBondContact N-O 2.94Å; R41-Y56 PolarHBondContact O-N 3.21Å
42	V	95.8	Very high	93.1	Very high	7 Å²	7	78.4 Å²	78.4	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.7	166.8	-177.2	0	0	0	0	107.6	E24 L27 R44 A55	E24-V42 HydrophobicContact CG-CB 4.48Å; E24-V42 HydrophobicContact CG-CG2 3.98Å; E24-V42 VanDerWaalsContact OE1-CB 3.29Å; E24-V42 WeakPolarHBondContact OE1-CB 3.16Å; E24-V42 PolarHBondContact OE1-N 3.04Å; L27-V42 HydrophobicContact CD1-CG2 3.85Å; V42-R44 HydrophobicContact CG1-CG 4.2Å; V42-R44 PolarHBondContact O-N 3.31Å; V42-A55 HydrophobicContact CB-CB 4.47Å; V42-A55 HydrophobicContact CG2-CB 4.19Å
43	C	93.6	Very high	93.1	Very high	20 Å²	20	76.9 Å²	76.9	14%	0.135	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.4	177.6	-79	0	0	0	0	109.2	R41 L52 Y54	R41-C43 PolarHBondContact O-N 3.25Å; C43-L52 HydrophobicContact CB-CD1 4.31Å; C43-L52 WeakPolarHBondContact O-CB 3.38Å; C43-L52 PolarHBondContact O-N 3.14Å; C43-Y54 HydrophobicContact CB-CD1 4.49Å; C43-Y54 HydrophobicContact CB-CD2 3.82Å; C43-Y54 HydrophobicContact CB-CE1 4.07Å; C43-Y54 HydrophobicContact CB-CE2 3.32Å; C43-Y54 HydrophobicContact CB-CG 4.37Å; C43-Y54 VanDerWaalsContact CB-CZ 3.44Å; C43-Y54 PolarHBondContact N-O 2.95Å; C43-Y54 WeakPolarHBondContact SG-CE2 3.44Å
44	R	94.8	Very high	93	Very high	82 Å²	82	75.2 Å²	75.2	31%	0.309	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.8	-177.6	-60.8	176.3	-168.8	-77.4	-4.9	109.3	I22 E24 V42 R50	I22-R44 PolarHBondContact O-NH2 3.39Å; E24-R44 IonicContact OE1-NE 2.77Å; E24-R44 IonicContact OE1-NH2 2.88Å; E24-R44 IonicContact OE2-CZ 3.82Å; E24-R44 IonicContact OE2-NE 3.2Å; E24-R44 IonicContact OE2-NH2 3.24Å; E24-R44 PolarHBondContact OE2-NH2 3.34Å; V42-R44 HydrophobicContact CG1-CG 4.2Å; V42-R44 PolarHBondContact O-N 3.31Å; R44-R50 CarbonylContact C-O 3.57Å; R44-R50 VanDerWaalsContact CA-O 3.24Å; R44-R50 WeakPolarHBondContact CA-O 3.18Å
45	D	92.1	Very high	93.1	Very high	51 Å²	51	75.2 Å²	75.2	27%	0.273	37%	0.368	S	S	.	.			trans	-58.4	136	175.4	173.7	-121.9	0	0	0	110.8	I47 T48 R49 R50 L52	D45-I47 VanDerWaalsContact C-N 3.29Å; D45-I47 PolarHBondContact O-N 2.77Å; D45-I47 PolarHBondContact OD1-N 2.82Å; D45-T48 WeakPolarHBondContact OD1-CA 3.42Å; D45-T48 VanDerWaalsContact OD1-CB 3.28Å; D45-T48 WeakPolarHBondContact OD1-CB 3.45Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.29Å; D45-T48 PolarHBondContact OD1-N 2.7Å; D45-T48 PolarHBondContact OD1-OG1 3.16Å; D45-R49 WeakPolarHBondContact O-CA 3.4Å; D45-R49 PolarHBondContact O-N 2.83Å; D45-R50 PolarHBondContact N-O 3.45Å; D45-L52 HydrophobicContact CB-CD2 3.95Å
46	M	89.3	Confident	93.2	Very high	161 Å²	161	77.1 Å²	77.1	79%	0.793	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.5	-170.7	-172.2	169.6	68.7	0	0	112.5
47	I	91.3	Very high	93.3	Very high	147 Å²	147	73 Å²	73	75%	0.754	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-52.9	-176.3	-58.1	175.1	0	0	0	110.4	D45	D45-I47 VanDerWaalsContact C-N 3.29Å; D45-I47 PolarHBondContact O-N 2.77Å; D45-I47 PolarHBondContact OD1-N 2.82Å
48	T	91.8	Very high	93.3	Very high	64 Å²	64	73.7 Å²	73.7	39%	0.393	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-6	-170.9	68.4	0	0	0	0	114.2	D45 R50	D45-T48 WeakPolarHBondContact OD1-CA 3.42Å; D45-T48 VanDerWaalsContact OD1-CB 3.28Å; D45-T48 WeakPolarHBondContact OD1-CB 3.45Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.29Å; D45-T48 PolarHBondContact OD1-N 2.7Å; D45-T48 PolarHBondContact OD1-OG1 3.16Å; T48-R50 PolarHBondContact O-N 2.66Å; T48-R50 PolarHBondContact OG1-NE 2.73Å
49	R	88.9	Confident	93.4	Very high	184 Å²	184	68 Å²	68	69%	0.694	32%	0.319	S	S	*	.			trans	56.3	4.3	179.8	-59.8	-61.3	-173.6	137.1	2.3	116.5	D45	D45-R49 WeakPolarHBondContact O-CA 3.4Å; D45-R49 PolarHBondContact O-N 2.83Å
50	R	89.3	Confident	93.3	Very high	173 Å²	173	67.8 Å²	67.8	65%	0.653	32%	0.317	S	S	*	.			trans	-67.2	145.1	171.7	-71.6	-177.1	-73.4	-134	3.5	110.7	R44 D45 T48	R44-R50 CarbonylContact C-O 3.57Å; R44-R50 VanDerWaalsContact CA-O 3.24Å; R44-R50 WeakPolarHBondContact CA-O 3.18Å; D45-R50 PolarHBondContact N-O 3.45Å; T48-R50 PolarHBondContact O-N 2.66Å; T48-R50 PolarHBondContact OG1-NE 2.73Å
51	S	92.1	Very high	93.1	Very high	19 Å²	19	71.5 Å²	71.5	13%	0.133	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	139.1	173.9	178.5	0	0	0	0	111	P20 G53	P20-S51 WeakPolarHBondContact O-CB 3.49Å; S51-G53 PolarHBondContact O-N 2.78Å; S51-G53 PolarHBondContact OG-N 2.98Å; S51-G53 VanDerWaalsContact OG-N 3.08Å
52	L	92.6	Very high	92.9	Very high	89 Å²	89	66.6 Å²	66.6	47%	0.466	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	7.4	171.2	-60.1	177.1	0	0	0	112.1	C43 D45 Y54	C43-L52 HydrophobicContact CB-CD1 4.31Å; C43-L52 WeakPolarHBondContact O-CB 3.38Å; C43-L52 PolarHBondContact O-N 3.14Å; D45-L52 HydrophobicContact CB-CD2 3.95Å; L52-Y54 HydrophobicContact CB-CD1 3.86Å; L52-Y54 HydrophobicContact CB-CE1 3.52Å; L52-Y54 HydrophobicContact CD1-CE1 4.03Å; L52-Y54 HydrophobicContact CG-CE1 4.43Å; L52-Y54 WeakPolarHBondContact O-CD1 3.14Å
53	G	93	Very high	92.7	Very high	19 Å²	19	68.9 Å²	68.9	20%	0.196	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.9	16.4	-179.6	0	0	0	0	0	114.3	G16 D17 L18 S51	G16-G53 CarbonylContact C-O 3.56Å; D17-G53 PolarHBondContact N-O 2.76Å; L18-G53 PolarHBondContact N-O 2.91Å; S51-G53 PolarHBondContact O-N 2.78Å; S51-G53 PolarHBondContact OG-N 2.98Å; S51-G53 VanDerWaalsContact OG-N 3.08Å
54	Y	95	Very high	92.7	Very high	62 Å²	62	68.8 Å²	68.8	24%	0.243	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.7	175.6	71.3	-87.8	0	0	0	113.4	Y14 V15 C43 L52 Y56	Y14-Y54 HydrophobicContact CD2-CD2 4.04Å; Y14-Y54 HydrophobicContact CE2-CD1 4.48Å; Y14-Y54 AromaticContact CE2-CD2 3.49Å; Y14-Y54 HydrophobicContact CE2-CD2 3.49Å; Y14-Y54 VanDerWaalsContact CE2-CD2 3.49Å; Y14-Y54 HydrophobicContact CE2-CE2 4.28Å; Y14-Y54 AromaticContact CE2-CG 3.62Å; Y14-Y54 HydrophobicContact CE2-CG 3.62Å; V15-Y54 CarbonylContact O-C 3.57Å; V15-Y54 WeakPolarHBondContact O-CA 3.34Å; V15-Y54 WeakPolarHBondContact O-CB 3.32Å; C43-Y54 HydrophobicContact CB-CD1 4.49Å; C43-Y54 HydrophobicContact CB-CD2 3.82Å; C43-Y54 HydrophobicContact CB-CE1 4.07Å; C43-Y54 HydrophobicContact CB-CE2 3.32Å; C43-Y54 HydrophobicContact CB-CG 4.37Å; C43-Y54 VanDerWaalsContact CB-CZ 3.44Å; C43-Y54 PolarHBondContact N-O 2.95Å; C43-Y54 WeakPolarHBondContact SG-CE2 3.44Å; L52-Y54 HydrophobicContact CB-CD1 3.86Å; L52-Y54 HydrophobicContact CB-CE1 3.52Å; L52-Y54 HydrophobicContact CD1-CE1 4.03Å; L52-Y54 HydrophobicContact CG-CE1 4.43Å; L52-Y54 WeakPolarHBondContact O-CD1 3.14Å; Y54-Y56 HydrophobicContact CD2-CE2 4.24Å; Y54-Y56 AromaticContact CE2-CE2 3.76Å; Y54-Y56 HydrophobicContact CE2-CE2 3.76Å
55	A	96.4	Very high	92.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	168.6	175.6	0	0	0	0	0	111.2	V15 L18 L27 R41 V42	V15-A55 PolarHBondContact N-O 3.44Å; V15-A55 PolarHBondContact O-N 2.86Å; L18-A55 HydrophobicContact CD1-CB 3.64Å; L27-A55 HydrophobicContact CD1-CB 3.54Å; R41-A55 CarbonylContact O-C 3.59Å; R41-A55 WeakPolarHBondContact O-CA 3.45Å; R41-A55 WeakPolarHBondContact O-CB 3.4Å; V42-A55 HydrophobicContact CB-CB 4.47Å; V42-A55 HydrophobicContact CG2-CB 4.19Å
56	Y	95.3	Very high	92.6	Very high	52 Å²	52	67.1 Å²	67.1	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.8	162.2	-61.5	-80.8	0	0	0	109.7	L13 Y14 I40 R41 Y54 S87	L13-Y56 WeakPolarHBondContact O-CA 3.24Å; Y14-Y56 AromaticContact CD2-CE1 3.88Å; Y14-Y56 HydrophobicContact CD2-CE1 3.88Å; I40-Y56 WeakPolarHBondContact CA-O 3.46Å; R41-Y56 PolarHBondContact N-O 2.94Å; R41-Y56 PolarHBondContact O-N 3.21Å; Y54-Y56 HydrophobicContact CD2-CE2 4.24Å; Y54-Y56 AromaticContact CE2-CE2 3.76Å; Y54-Y56 HydrophobicContact CE2-CE2 3.76Å; Y56-S87 WeakPolarHBondContact CD1-OG 3.4Å; Y56-S87 WeakPolarHBondContact CE1-OG 3.44Å
57	V	96	Very high	92.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.4	176.8	178.9	0	0	0	0	107.4	S12 L13 V15 F31 V37 I40 F59	S12-V57 WeakPolarHBondContact CA-O 3.22Å; L13-V57 PolarHBondContact N-O 3.25Å; L13-V57 PolarHBondContact O-N 3.28Å; V15-V57 HydrophobicContact CG2-CB 4.43Å; V15-V57 HydrophobicContact CG2-CG2 3.8Å; F31-V57 HydrophobicContact CB-CG1 4.41Å; F31-V57 HydrophobicContact CD2-CG1 4.24Å; F31-V57 HydrophobicContact CD2-CG2 3.83Å; F31-V57 HydrophobicContact CE2-CG2 3.91Å; F31-V57 HydrophobicContact CG-CG1 4.28Å; V37-V57 HydrophobicContact CG1-CG1 3.95Å; I40-V57 HydrophobicContact CD1-CG1 4.41Å; I40-V57 HydrophobicContact CD1-CG2 4.25Å; I40-V57 HydrophobicContact CG1-CG1 4.22Å; I40-V57 HydrophobicContact CG1-CG2 4.17Å; I40-V57 HydrophobicContact CG2-CG2 4.28Å; V57-F59 HydrophobicContact CG1-CD2 4.12Å; V57-F59 HydrophobicContact CG1-CE2 3.58Å; V57-F59 HydrophobicContact CG1-CZ 4.06Å
58	N	94.3	Very high	93	Very high	36 Å²	36	57.3 Å²	57.3	19%	0.193	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.8	178.2	-53.1	-68.9	0	0	0	109.1	A11 S12 V37 L38 S39	A11-N58 WeakPolarHBondContact O-CA 3.48Å; S12-N58 WeakPolarHBondContact CB-OD1 3.37Å; S12-N58 PolarHBondContact OG-OD1 2.79Å; V37-N58 CarbonylContact C-O 3.49Å; L38-N58 HydrophobicContact CB-CB 4.47Å; L38-N58 PolarHBondContact N-O 2.85Å; S39-N58 PolarHBondContact N-O 3.01Å; S39-N58 PolarHBondContact O-N 2.84Å; S39-N58 PolarHBondContact OG-ND2 3.33Å
59	F	94.7	Very high	93	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	165.1	174.7	-71.2	-92.8	0	0	0	111.6	A11 L13 F31 A34 P36 V37 L38 V57 D64 A65 A68	A11-F59 HydrophobicContact CB-CB 4.06Å; A11-F59 PolarHBondContact O-N 3.43Å; L13-F59 HydrophobicContact CD1-CD2 4.35Å; L13-F59 HydrophobicContact CD1-CE2 3.76Å; L13-F59 HydrophobicContact CG-CE2 4.43Å; F31-F59 HydrophobicContact CB-CE1 4.48Å; F31-F59 HydrophobicContact CB-CZ 3.93Å; F31-F59 AromaticContact CD1-CZ 3.96Å; F31-F59 HydrophobicContact CD1-CZ 3.96Å; F31-F59 HydrophobicContact CG-CZ 4.2Å; A34-F59 HydrophobicContact CB-CE1 4.02Å; A34-F59 HydrophobicContact CB-CZ 4.19Å; P36-F59 CarbonylContact O-C 3.46Å; V37-F59 HydrophobicContact CG2-CD1 4.03Å; V37-F59 HydrophobicContact CG2-CE1 3.69Å; V37-F59 HydrophobicContact CG2-CZ 4.21Å; L38-F59 WeakPolarHBondContact CD1-O 3.09Å; V57-F59 HydrophobicContact CG1-CD2 4.12Å; V57-F59 HydrophobicContact CG1-CE2 3.58Å; V57-F59 HydrophobicContact CG1-CZ 4.06Å; F59-D64 HydrophobicContact CB-CB 3.99Å; F59-D64 HydrophobicContact CD1-CB 3.62Å; F59-D64 HydrophobicContact CE1-CB 4.37Å; F59-D64 HydrophobicContact CG-CB 4Å; F59-A65 HydrophobicContact CB-CB 4.26Å; F59-A65 HydrophobicContact CD2-CB 3.68Å; F59-A65 HydrophobicContact CE2-CB 4.39Å; F59-A65 HydrophobicContact CG-CB 4.2Å; F59-A68 HydrophobicContact CE1-CB 4.4Å; F59-A68 HydrophobicContact CE2-CB 3.8Å; F59-A68 HydrophobicContact CZ-CB 3.53Å
60	S	91.6	Very high	93	Very high	51 Å²	51	52.4 Å²	52.4	36%	0.357	27%	0.266	S	S	.	.	S	Bend	trans	-70.2	-42.6	172.2	-178	0	0	0	0	111.8	P36	P36-S60 PolarHBondContact O-N 3Å
61	Q	91.6	Very high	93	Very high	109 Å²	109	48.5 Å²	48.5	51%	0.509	26%	0.261	S	S	.	.	S	Bend	trans	-118.7	145.1	-178.1	-57.3	-56.9	-48.1	0	0	111.9	A11 A63 D64 A65	A11-Q61 WeakPolarHBondContact CB-O 3.18Å; Q61-A63 VanDerWaalsContact C-N 3.28Å; Q61-A63 PolarHBondContact O-N 3.21Å; Q61-D64 WeakPolarHBondContact O-CB 3.33Å; Q61-D64 PolarHBondContact O-N 2.89Å; Q61-D64 VanDerWaalsContact O-N 3.13Å; Q61-A65 PolarHBondContact O-N 3.21Å
62	P	91.3	Very high	93.1	Very high	69 Å²	69	48.2 Å²	48.2	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-57.1	-38	174.1	-26.6	35.9	0	0	0	113.5	A11 D64 A65 E66	A11-P62 HydrophobicContact CB-CG 4.41Å; P62-D64 PolarHBondContact O-N 2.95Å; P62-A65 WeakPolarHBondContact O-CB 3.27Å; P62-A65 PolarHBondContact O-N 2.81Å; P62-A65 VanDerWaalsContact O-N 3.08Å; P62-E66 WeakPolarHBondContact O-CB 3.36Å; P62-E66 PolarHBondContact O-N 3.32Å
63	A	92.4	Very high	93	Very high	55 Å²	55	45.5 Å²	45.5	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-20.9	178.4	0	0	0	0	0	114	Q61 R67	Q61-A63 VanDerWaalsContact C-N 3.28Å; Q61-A63 PolarHBondContact O-N 3.21Å; A63-R67 WeakPolarHBondContact O-CB 3.19Å; A63-R67 PolarHBondContact O-N 2.77Å; A63-R67 VanDerWaalsContact O-N 3.07Å; A63-R67 PolarHBondContact O-NH1 2.89Å; A63-R67 VanDerWaalsContact O-NH1 3.09Å
64	D	94	Very high	92.9	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-80	-37	172.4	-62.1	-30.3	0	0	0	111.1	A34 P36 F59 Q61 P62 R67 A68	A34-D64 WeakPolarHBondContact O-CA 3.43Å; A34-D64 VanDerWaalsContact O-CB 3.28Å; A34-D64 WeakPolarHBondContact O-CB 3.24Å; P36-D64 WeakPolarHBondContact CD-OD2 3.5Å; F59-D64 HydrophobicContact CB-CB 3.99Å; F59-D64 HydrophobicContact CD1-CB 3.62Å; F59-D64 HydrophobicContact CE1-CB 4.37Å; F59-D64 HydrophobicContact CG-CB 4Å; Q61-D64 WeakPolarHBondContact O-CB 3.33Å; Q61-D64 PolarHBondContact O-N 2.89Å; Q61-D64 VanDerWaalsContact O-N 3.13Å; P62-D64 PolarHBondContact O-N 2.95Å; D64-R67 IonicContact OD1-CZ 2.65Å; D64-R67 IonicContact OD1-NH1 2.78Å; D64-R67 PolarHBondContact OD1-NH1 2.76Å; D64-R67 IonicContact OD1-NH2 2.75Å; D64-R67 PolarHBondContact OD1-NH2 2.86Å; D64-A68 WeakPolarHBondContact O-CB 3.45Å; D64-A68 PolarHBondContact O-N 3.04Å
65	A	92.6	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69	-37.9	173	0	0	0	0	0	112.3	A11 L13 F59 Q61 P62 A68 L69 W86	A11-A65 HydrophobicContact CB-CB 4.06Å; L13-A65 HydrophobicContact CD1-CB 4.21Å; L13-A65 WeakPolarHBondContact CD1-O 3.27Å; L13-A65 HydrophobicContact CD2-CB 4.05Å; L13-A65 HydrophobicContact CG-CB 4Å; F59-A65 HydrophobicContact CB-CB 4.26Å; F59-A65 HydrophobicContact CD2-CB 3.68Å; F59-A65 HydrophobicContact CE2-CB 4.39Å; F59-A65 HydrophobicContact CG-CB 4.2Å; Q61-A65 PolarHBondContact O-N 3.21Å; P62-A65 WeakPolarHBondContact O-CB 3.27Å; P62-A65 PolarHBondContact O-N 2.81Å; P62-A65 VanDerWaalsContact O-N 3.08Å; A65-A68 PolarHBondContact O-N 3.42Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 PolarHBondContact O-N 3.26Å; A65-W86 HydrophobicContact CB-CH2 3.74Å; A65-W86 HydrophobicContact CB-CZ3 3.76Å
66	E	91.6	Very high	92.5	Very high	99 Å²	99	50.2 Å²	50.2	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-50.3	172.1	-172	169.2	-139.9	0	0	110.6	P62 A68 L69 D70 W86	P62-E66 WeakPolarHBondContact O-CB 3.36Å; P62-E66 PolarHBondContact O-N 3.32Å; E66-A68 VanDerWaalsContact C-N 3.28Å; E66-A68 PolarHBondContact O-N 3.03Å; E66-L69 WeakPolarHBondContact O-CB 3.47Å; E66-L69 PolarHBondContact O-N 2.65Å; E66-D70 PolarHBondContact O-N 2.9Å; E66-W86 HydrophobicContact CB-CH2 4.48Å; E66-W86 HydrophobicContact CB-CZ2 4.19Å
67	R	93.8	Very high	92.4	Very high	102 Å²	102	48.6 Å²	48.6	39%	0.385	27%	0.267	S	S	.	.	H	α-helix	trans	-57.1	-38.6	174.1	-175.1	160.3	73.9	-96.2	12	112.9	A34 A63 D64 T71	A34-R67 PolarHBondContact O-NE 3.43Å; A34-R67 PolarHBondContact O-NH2 3.34Å; A63-R67 WeakPolarHBondContact O-CB 3.19Å; A63-R67 PolarHBondContact O-N 2.77Å; A63-R67 VanDerWaalsContact O-N 3.07Å; A63-R67 PolarHBondContact O-NH1 2.89Å; A63-R67 VanDerWaalsContact O-NH1 3.09Å; D64-R67 IonicContact OD1-CZ 2.65Å; D64-R67 IonicContact OD1-NH1 2.78Å; D64-R67 PolarHBondContact OD1-NH1 2.76Å; D64-R67 IonicContact OD1-NH2 2.75Å; D64-R67 PolarHBondContact OD1-NH2 2.86Å; R67-T71 HydrophobicContact CG-CG2 4.45Å; R67-T71 WeakPolarHBondContact O-CB 3.43Å; R67-T71 WeakPolarHBondContact O-CG2 3.47Å; R67-T71 PolarHBondContact O-N 3.25Å; R67-T71 PolarHBondContact O-OG1 3.48Å
68	A	94.4	Very high	92.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-38.9	174	0	0	0	0	0	113	L13 F31 A34 F59 D64 A65 E66 M72 I84	L13-A68 HydrophobicContact CD1-CB 3.83Å; F31-A68 HydrophobicContact CD1-CB 3.98Å; F31-A68 HydrophobicContact CE1-CB 4.15Å; A34-A68 HydrophobicContact CB-CB 3.61Å; F59-A68 HydrophobicContact CE1-CB 4.4Å; F59-A68 HydrophobicContact CE2-CB 3.8Å; F59-A68 HydrophobicContact CZ-CB 3.53Å; D64-A68 WeakPolarHBondContact O-CB 3.45Å; D64-A68 PolarHBondContact O-N 3.04Å; A65-A68 PolarHBondContact O-N 3.42Å; E66-A68 VanDerWaalsContact C-N 3.28Å; E66-A68 PolarHBondContact O-N 3.03Å; A68-M72 WeakPolarHBondContact O-CB 3.36Å; A68-M72 PolarHBondContact O-N 3.24Å; A68-M72 VanDerWaalsContact O-N 3.08Å; A68-I84 WeakPolarHBondContact O-CD1 3.45Å
69	L	91.4	Very high	91.7	Very high	31 Å²	31	54.6 Å²	54.6	16%	0.162	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-39.8	176.8	178.3	64.8	0	0	0	111.8	A65 E66 N73 I84	A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 PolarHBondContact O-N 3.26Å; E66-L69 WeakPolarHBondContact O-CB 3.47Å; E66-L69 PolarHBondContact O-N 2.65Å; L69-N73 VanDerWaalsContact O-CB 3.24Å; L69-N73 WeakPolarHBondContact O-CB 3.45Å; L69-I84 HydrophobicContact CB-CG2 4.39Å; L69-I84 HydrophobicContact CD1-CB 3.9Å; L69-I84 HydrophobicContact CD1-CG2 3.67Å
70	D	88.8	Confident	91.4	Very high	114 Å²	114	58.8 Å²	58.8	61%	0.61	33%	0.328	S	S	*	.	H	α-helix	trans	-79.7	-38.2	-178.2	-68.6	-17.3	0	0	0	113	E66	E66-D70 PolarHBondContact O-N 2.9Å
71	T	90.7	Very high	91.4	Very high	91 Å²	91	58.6 Å²	58.6	56%	0.558	33%	0.325	S	S	*	.	H	α-helix	trans	-99.1	-16.5	-171.1	65	0	0	0	0	115.3	R67	R67-T71 HydrophobicContact CG-CG2 4.45Å; R67-T71 WeakPolarHBondContact O-CB 3.43Å; R67-T71 WeakPolarHBondContact O-CG2 3.47Å; R67-T71 PolarHBondContact O-N 3.25Å; R67-T71 PolarHBondContact O-OG1 3.48Å
72	M	93.4	Very high	91.5	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.064	30%	0.301	C	S	.	.	S	Bend	trans	-123.2	4.5	-173.8	-54.8	179.8	172.1	0	0	114.6	K30 F31 P33 A34 A68 D75 I84	K30-M72 VanDerWaalsContact O-CE 3.26Å; K30-M72 WeakPolarHBondContact O-CE 3.49Å; F31-M72 HydrophobicContact CD1-SD 3.57Å; F31-M72 VanDerWaalsContact CD1-SD 3.57Å; F31-M72 HydrophobicContact CE1-CB 4.17Å; F31-M72 HydrophobicContact CE1-SD 3.93Å; F31-M72 HydrophobicContact CG-SD 4.48Å; P33-M72 HydrophobicContact CB-CE 4.01Å; P33-M72 HydrophobicContact CG-CE 4.35Å; A34-M72 HydrophobicContact CB-CE 3.7Å; A34-M72 HydrophobicContact CB-SD 4.02Å; A68-M72 WeakPolarHBondContact O-CB 3.36Å; A68-M72 PolarHBondContact O-N 3.24Å; A68-M72 VanDerWaalsContact O-N 3.08Å; M72-D75 VanDerWaalsContact CA-OD2 3.28Å; M72-D75 WeakPolarHBondContact CA-OD2 3.25Å; M72-D75 WeakPolarHBondContact O-CB 3.33Å; M72-D75 PolarHBondContact O-N 3.21Å; M72-I84 VanDerWaalsContact C-CD1 3.49Å; M72-I84 HydrophobicContact CB-CD1 3.96Å; M72-I84 WeakPolarHBondContact O-CD1 3.36Å
73	N	91.6	Very high	91.5	Very high	31 Å²	31	52 Å²	52	17%	0.166	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	140.4	178.4	-159.5	4.7	0	0	0	110.6	L69 D75 I84	L69-N73 VanDerWaalsContact O-CB 3.24Å; L69-N73 WeakPolarHBondContact O-CB 3.45Å; N73-D75 PolarHBondContact O-N 2.82Å; N73-I84 HydrophobicContact CB-CB 4.25Å; N73-I84 HydrophobicContact CB-CD1 4.24Å; N73-I84 HydrophobicContact CB-CG1 4.3Å; N73-I84 PolarHBondContact ND2-O 3.43Å; N73-I84 PolarHBondContact OD1-N 2.95Å
74	F	90.5	Very high	91.6	Very high	23 Å²	23	49.4 Å²	49.4	10%	0.101	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	3.7	-173	-39.8	-56.5	0	0	0	116.1	P81 I82 R83 N112 K113 Y116 C128	F74-P81 HydrophobicContact CB-CB 4.48Å; F74-P81 WeakPolarHBondContact O-CA 3.33Å; F74-P81 WeakPolarHBondContact O-CB 3.47Å; F74-I82 WeakPolarHBondContact CA-O 3Å; F74-I82 PolarHBondContact N-O 3.29Å; F74-R83 HydrophobicContact CE1-CG 4.29Å; F74-N112 HydrophobicContact CB-CB 3.89Å; F74-N112 HydrophobicContact CD1-CB 3.34Å; F74-N112 HydrophobicContact CD2-CB 3.98Å; F74-N112 HydrophobicContact CE1-CB 3.83Å; F74-N112 HydrophobicContact CE2-CB 4.4Å; F74-N112 HydrophobicContact CG-CB 3.42Å; F74-N112 VanDerWaalsContact CG-CB 3.42Å; F74-N112 HydrophobicContact CZ-CB 4.34Å; F74-K113 HydrophobicContact CD2-CB 4.46Å; F74-Y116 HydrophobicContact CE2-CD2 4.33Å; F74-Y116 HydrophobicContact CE2-CG 4.24Å; F74-Y116 HydrophobicContact CZ-CD2 4.4Å; F74-C128 WeakPolarHBondContact CE1-O 3.31Å; F74-C128 WeakPolarHBondContact CZ-SG 3.43Å
75	D	92	Very high	91.5	Very high	56 Å²	56	50.3 Å²	50.3	30%	0.299	27%	0.27	S	S	.	.			trans	-59.9	137.9	175.9	-94	-39.8	0	0	0	113.1	K30 M72 N73 V77 P81 I82	K30-D75 WeakPolarHBondContact CE-OD2 3.23Å; K30-D75 VanDerWaalsContact NZ-CG 3.33Å; K30-D75 IonicContact NZ-OD1 3.58Å; K30-D75 IonicContact NZ-OD2 3.85Å; K30-D75 PolarHBondContact NZ-OD2 3.35Å; M72-D75 VanDerWaalsContact CA-OD2 3.28Å; M72-D75 WeakPolarHBondContact CA-OD2 3.25Å; M72-D75 WeakPolarHBondContact O-CB 3.33Å; M72-D75 PolarHBondContact O-N 3.21Å; N73-D75 PolarHBondContact O-N 2.82Å; D75-V77 PolarHBondContact O-N 3.38Å; D75-P81 CarbonylContact O-C 3.5Å; D75-P81 WeakPolarHBondContact O-CA 3.48Å; D75-I82 HydrophobicContact CB-CD1 4.42Å; D75-I82 HydrophobicContact CB-CG1 4.38Å; D75-I82 PolarHBondContact O-N 3.39Å
76	V	90.8	Very high	91.4	Very high	102 Å²	102	52.9 Å²	52.9	62%	0.618	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	106.3	-173.1	-177.1	0	0	0	0	111.3	K80	V76-K80 WeakPolarHBondContact CA-O 3.47Å
77	V	91.9	Very high	91.2	Very high	17 Å²	17	48.9 Å²	48.9	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.9	175.7	-174.7	0	0	0	0	109.5	I22 K30 D75 G79 K80 I82	I22-V77 HydrophobicContact CD1-CB 4Å; I22-V77 HydrophobicContact CD1-CG1 3.59Å; I22-V77 HydrophobicContact CG1-CG1 4.13Å; K30-V77 HydrophobicContact CG-CG2 4.41Å; D75-V77 PolarHBondContact O-N 3.38Å; V77-G79 VanDerWaalsContact C-N 3.25Å; V77-G79 PolarHBondContact O-N 3.09Å; V77-K80 PolarHBondContact N-O 3.11Å; V77-K80 PolarHBondContact O-N 2.9Å; V77-K80 VanDerWaalsContact O-N 3.12Å; V77-I82 HydrophobicContact CB-CG2 3.87Å; V77-I82 HydrophobicContact CG2-CD1 4.36Å; V77-I82 HydrophobicContact CG2-CG2 3.71Å
78	K	90	Very high	90.7	Very high	96 Å²	96	46.9 Å²	46.9	42%	0.417	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	46	-170.1	-63.2	-154.4	73.4	176.9	0	113.2	H19 D21 I22 M26 K80	H19-K78 HydrophobicContact CB-CB 3.77Å; H19-K78 PolarHBondContact CD2-O 3.48Å; H19-K78 VanDerWaalsContact CD2-O 3.28Å; D21-K78 HydrophobicContact CB-CD 4.31Å; D21-K78 IonicContact OD2-NZ 3.27Å; D21-K78 PolarHBondContact OD2-NZ 3.38Å; I22-K78 HydrophobicContact CG1-CD 4.47Å; I22-K78 HydrophobicContact CG1-CG 4.35Å; M26-K78 HydrophobicContact CE-CD 4.04Å; M26-K78 HydrophobicContact CE-CG 3.68Å; M26-K78 HydrophobicContact SD-CD 4.18Å; M26-K78 HydrophobicContact SD-CG 4.39Å; K78-K80 VanDerWaalsContact C-N 3.28Å; K78-K80 PolarHBondContact O-N 2.89Å
79	G	87.4	Confident	90	Very high	66 Å²	66	54.5 Å²	54.5	68%	0.68	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	12.6	177.4	0	0	0	0	0	115.4	V77	V77-G79 VanDerWaalsContact C-N 3.25Å; V77-G79 PolarHBondContact O-N 3.09Å
80	K	88.4	Confident	89.4	Confident	92 Å²	92	56 Å²	56	40%	0.4	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.6	172.6	-63.8	-168.4	-179.2	-176	0	111.5	H19 V76 V77 K78 I82	H19-K80 HydrophobicContact CB-CD 4.29Å; V76-K80 WeakPolarHBondContact CA-O 3.47Å; V77-K80 PolarHBondContact N-O 3.11Å; V77-K80 PolarHBondContact O-N 2.9Å; V77-K80 VanDerWaalsContact O-N 3.12Å; K78-K80 VanDerWaalsContact C-N 3.28Å; K78-K80 PolarHBondContact O-N 2.89Å; K80-I82 PolarHBondContact O-N 2.85Å
81	P	90.4	Very high	89	Confident	47 Å²	47	54.2 Å²	54.2	31%	0.305	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125	173.7	28.5	-33.7	0	0	0	109.9	F74 D75	F74-P81 HydrophobicContact CB-CB 4.48Å; F74-P81 WeakPolarHBondContact O-CA 3.33Å; F74-P81 WeakPolarHBondContact O-CB 3.47Å; D75-P81 CarbonylContact O-C 3.5Å; D75-P81 WeakPolarHBondContact O-CA 3.48Å
82	I	93.4	Very high	88.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.			trans	-76.5	141.4	176.3	70.2	-177.7	0	0	0	110	V15 L18 F31 F74 D75 V77 K80 I84	V15-I82 HydrophobicContact CG1-CB 4Å; V15-I82 HydrophobicContact CG1-CD1 4.27Å; V15-I82 HydrophobicContact CG1-CG1 4.43Å; L18-I82 HydrophobicContact CD2-CB 4.27Å; L18-I82 HydrophobicContact CD2-CG2 3.72Å; F31-I82 HydrophobicContact CE2-CD1 4.42Å; F31-I82 HydrophobicContact CZ-CD1 3.87Å; F74-I82 WeakPolarHBondContact CA-O 3Å; F74-I82 PolarHBondContact N-O 3.29Å; D75-I82 HydrophobicContact CB-CD1 4.42Å; D75-I82 HydrophobicContact CB-CG1 4.38Å; D75-I82 PolarHBondContact O-N 3.39Å; V77-I82 HydrophobicContact CB-CG2 3.87Å; V77-I82 HydrophobicContact CG2-CD1 4.36Å; V77-I82 HydrophobicContact CG2-CG2 3.71Å; K80-I82 PolarHBondContact O-N 2.85Å; I82-I84 HydrophobicContact CD1-CD1 4.35Å; I82-I84 HydrophobicContact CD1-CG1 4.44Å; I82-I84 HydrophobicContact CG1-CG1 4.33Å
83	R	92.4	Very high	87.6	Confident	40 Å²	40	57 Å²	57	15%	0.151	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	104.5	-179.7	-173.2	171.1	55.6	72.4	15.2	110.9	G16 D17 F74 M85 S127 C128	G16-R83 PolarHBondContact N-O 3.48Å; G16-R83 PolarHBondContact O-N 3.26Å; D17-R83 HydrophobicContact CB-CB 4.49Å; D17-R83 IonicContact OD2-CZ 2.8Å; D17-R83 VanDerWaalsContact OD2-CZ 3.26Å; D17-R83 IonicContact OD2-NE 3.74Å; D17-R83 PolarHBondContact OD2-NE 2.62Å; D17-R83 IonicContact OD2-NH2 3.7Å; D17-R83 PolarHBondContact OD2-NH2 2.81Å; F74-R83 HydrophobicContact CE1-CG 4.29Å; R83-M85 PolarHBondContact NH1-SD 3.05Å; R83-S127 VanDerWaalsContact CD-OG 3.32Å; R83-S127 WeakPolarHBondContact CD-OG 3.48Å; R83-S127 WeakPolarHBondContact CG-OG 3.31Å; R83-S127 PolarHBondContact NH1-OG 2.82Å; R83-C128 WeakPolarHBondContact CD-O 3.34Å
84	I	93.3	Very high	86.9	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.8	-177.5	-48.8	179.3	0	0	0	109.6	L13 Y14 V15 F31 A68 L69 M72 N73 I82	L13-I84 HydrophobicContact CB-CG2 4.07Å; L13-I84 HydrophobicContact CD1-CG2 3.68Å; L13-I84 HydrophobicContact CD2-CG2 4.33Å; L13-I84 HydrophobicContact CG-CG2 4.24Å; Y14-I84 CarbonylContact O-C 3.54Å; Y14-I84 WeakPolarHBondContact O-CA 3.49Å; V15-I84 HydrophobicContact CG1-CG1 4.41Å; F31-I84 HydrophobicContact CE1-CD1 3.63Å; F31-I84 HydrophobicContact CZ-CD1 3.75Å; F31-I84 HydrophobicContact CZ-CG1 4.27Å; A68-I84 WeakPolarHBondContact O-CD1 3.45Å; L69-I84 HydrophobicContact CB-CG2 4.39Å; L69-I84 HydrophobicContact CD1-CB 3.9Å; L69-I84 HydrophobicContact CD1-CG2 3.67Å; M72-I84 VanDerWaalsContact C-CD1 3.49Å; M72-I84 HydrophobicContact CB-CD1 3.96Å; M72-I84 WeakPolarHBondContact O-CD1 3.36Å; N73-I84 HydrophobicContact CB-CB 4.25Å; N73-I84 HydrophobicContact CB-CD1 4.24Å; N73-I84 HydrophobicContact CB-CG1 4.3Å; N73-I84 PolarHBondContact ND2-O 3.43Å; N73-I84 PolarHBondContact OD1-N 2.95Å; I82-I84 HydrophobicContact CD1-CD1 4.35Å; I82-I84 HydrophobicContact CD1-CG1 4.44Å; I82-I84 HydrophobicContact CG1-CG1 4.33Å
85	M	91.6	Very high	86.1	Confident	36 Å²	36	69.1 Å²	69.1	18%	0.177	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.6	172.2	-56.2	178.8	62.2	0	0	109.7	L13 Y14 R83 L126 S127	L13-M85 CarbonylContact C-O 3.52Å; L13-M85 WeakPolarHBondContact CA-O 3.39Å; Y14-M85 HydrophobicContact CD1-CB 4.24Å; Y14-M85 HydrophobicContact CD1-CG 4.19Å; Y14-M85 HydrophobicContact CD1-SD 4.06Å; Y14-M85 HydrophobicContact CE1-SD 4.33Å; Y14-M85 PolarHBondContact N-O 3.02Å; Y14-M85 PolarHBondContact O-N 2.84Å; R83-M85 PolarHBondContact NH1-SD 3.05Å; M85-L126 HydrophobicContact CE-CB 4.38Å; M85-L126 WeakPolarHBondContact CG-O 3.07Å; M85-S127 WeakPolarHBondContact CG-OG 3.46Å; M85-S127 PolarHBondContact SD-OG 3.21Å; M85-S127 VanDerWaalsContact SD-OG 3.37Å
86	W	90.8	Very high	85.4	Confident	53 Å²	53	69.4 Å²	69.4	20%	0.201	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	137.8	160.8	-71.5	109.5	0	0	0	111	Y8 L13 A65 E66 Q88	Y8-W86 HydrophobicContact CD1-CB 4.34Å; Y8-W86 AromaticContact CD2-CD2 3.97Å; Y8-W86 HydrophobicContact CD2-CD2 3.97Å; Y8-W86 HydrophobicContact CD2-CE3 4.27Å; Y8-W86 HydrophobicContact CD2-CG 4.07Å; Y8-W86 HydrophobicContact CE1-CB 3.89Å; Y8-W86 HydrophobicContact CE1-CG 4.41Å; Y8-W86 HydrophobicContact CE2-CB 4.08Å; Y8-W86 AromaticContact CE2-CD1 3.85Å; Y8-W86 HydrophobicContact CE2-CD2 4.13Å; Y8-W86 AromaticContact CE2-CG 3.75Å; Y8-W86 HydrophobicContact CE2-CG 3.75Å; Y8-W86 HydrophobicContact CG-CD2 4.35Å; Y8-W86 HydrophobicContact CG-CE3 4.26Å; Y8-W86 AromaticContact CZ-CG 3.94Å; L13-W86 HydrophobicContact CD2-CD2 4.11Å; L13-W86 HydrophobicContact CD2-CE3 3.78Å; L13-W86 HydrophobicContact CD2-CZ3 4Å; A65-W86 HydrophobicContact CB-CH2 3.74Å; A65-W86 HydrophobicContact CB-CZ3 3.76Å; E66-W86 HydrophobicContact CB-CH2 4.48Å; E66-W86 HydrophobicContact CB-CZ2 4.19Å; W86-Q88 PolarHBondContact O-N 2.8Å
87	S	88.4	Confident	84.6	Confident	15 Å²	15	66.5 Å²	66.5	11%	0.105	35%	0.35	C	S	.	.			trans	-75.1	79.7	-172.7	173.9	0	0	0	0	112.9	S12 Y56 R89	S12-S87 WeakPolarHBondContact O-CB 3.29Å; S12-S87 PolarHBondContact O-N 2.95Å; Y56-S87 WeakPolarHBondContact CD1-OG 3.4Å; Y56-S87 WeakPolarHBondContact CE1-OG 3.44Å; S87-R89 PolarHBondContact O-N 3.04Å
88	Q	83.1	Confident	84.1	Confident	61 Å²	61	68.9 Å²	68.9	29%	0.285	37%	0.365	S	S	.	.			trans	-64.7	116.2	174.3	-174.5	51.7	-89.5	0	0	111.5	W86 L93 R94	W86-Q88 PolarHBondContact O-N 2.8Å; Q88-L93 HydrophobicContact CG-CB 4.03Å; Q88-L93 VanDerWaalsContact NE2-CD1 3.34Å; Q88-R94 HydrophobicContact CB-CG 3.97Å; Q88-R94 HydrophobicContact CG-CG 3.76Å; Q88-R94 WeakPolarHBondContact O-CD 3.45Å; Q88-R94 PolarHBondContact O-NE 3.22Å; Q88-R94 VanDerWaalsContact O-NE 3.13Å
89	R	79.3	Confident	83.9	Confident	159 Å²	159	64.5 Å²	64.5	60%	0.6	35%	0.346	S	S	*	.			trans	-83.1	-35.6	178.7	-67.6	-177.7	-178.5	-90.8	-1.3	111.9	M10 S87 P91 R94	M10-R89 PolarHBondContact SD-NH2 3.14Å; S87-R89 PolarHBondContact O-N 3.04Å; R89-P91 WeakPolarHBondContact O-CD 3.49Å; R89-R94 PolarHBondContact O-NH2 2.75Å
90	D	80	Confident	84.1	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.342	32%	0.323	S	S	.	.			trans	-62.7	126.5	-174.5	-163.8	-36.3	0	0	0	111.3	S92 L93 R94	D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 WeakPolarHBondContact OD1-CA 3.46Å; D90-S92 VanDerWaalsContact OD1-CB 3.29Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.67Å; D90-S92 PolarHBondContact OD1-OG 3.19Å; D90-S92 PolarHBondContact OD2-OG 2.99Å; D90-L93 HydrophobicContact CB-CB 4.25Å; D90-L93 HydrophobicContact CB-CD1 4.08Å; D90-L93 HydrophobicContact CB-CG 4.17Å; D90-R94 WeakPolarHBondContact O-CG 3.48Å; D90-R94 PolarHBondContact O-N 3.34Å; D90-R94 PolarHBondContact O-NE 3.44Å
91	P	79.6	Confident	84.4	Confident	75 Å²	75	58.8 Å²	58.8	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.3	172.9	-19.8	33.5	0	0	0	114.2	R89 K95	R89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-K95 VanDerWaalsContact O-CB 3.26Å; P91-K95 WeakPolarHBondContact O-CB 3.43Å; P91-K95 WeakPolarHBondContact O-CD 3.36Å; P91-K95 WeakPolarHBondContact O-CG 3.38Å; P91-K95 PolarHBondContact O-N 3.18Å
92	S	79.9	Confident	84.6	Confident	69 Å²	69	58.1 Å²	58.1	48%	0.483	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-54.4	-179.4	70	0	0	0	0	110.8	D90 R94 K95 S96	D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 WeakPolarHBondContact OD1-CA 3.46Å; D90-S92 VanDerWaalsContact OD1-CB 3.29Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.67Å; D90-S92 PolarHBondContact OD1-OG 3.19Å; D90-S92 PolarHBondContact OD2-OG 2.99Å; S92-R94 PolarHBondContact O-N 3.35Å; S92-K95 CarbonylContact O-C 3.48Å; S92-K95 PolarHBondContact O-N 3.48Å; S92-S96 PolarHBondContact O-N 3.2Å
93	L	75.4	Confident	84.6	Confident	94 Å²	94	58.1 Å²	58.1	49%	0.492	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.3	177.4	-62.7	175.8	0	0	0	112.4	Q88 D90 S96	Q88-L93 HydrophobicContact CG-CB 4.03Å; Q88-L93 VanDerWaalsContact NE2-CD1 3.34Å; D90-L93 HydrophobicContact CB-CB 4.25Å; D90-L93 HydrophobicContact CB-CD1 4.08Å; D90-L93 HydrophobicContact CB-CG 4.17Å; L93-S96 PolarHBondContact O-OG 3.39Å
94	R	76.1	Confident	84.7	Confident	133 Å²	133	62.1 Å²	62.1	50%	0.502	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.4	174.1	-73.2	-175.6	-68.7	159.4	-6.1	115.5	Q88 R89 D90 S92	Q88-R94 HydrophobicContact CB-CG 3.97Å; Q88-R94 HydrophobicContact CG-CG 3.76Å; Q88-R94 WeakPolarHBondContact O-CD 3.45Å; Q88-R94 PolarHBondContact O-NE 3.22Å; Q88-R94 VanDerWaalsContact O-NE 3.13Å; R89-R94 PolarHBondContact O-NH2 2.75Å; D90-R94 WeakPolarHBondContact O-CG 3.48Å; D90-R94 PolarHBondContact O-N 3.34Å; D90-R94 PolarHBondContact O-NE 3.44Å; S92-R94 PolarHBondContact O-N 3.35Å
95	K	74	Confident	84.6	Confident	175 Å²	175	65.8 Å²	65.8	76%	0.761	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-5.4	-176.6	-69.4	178.7	179.7	-178.9	0	113.8	P91 S92 G97	P91-K95 VanDerWaalsContact O-CB 3.26Å; P91-K95 WeakPolarHBondContact O-CB 3.43Å; P91-K95 WeakPolarHBondContact O-CD 3.36Å; P91-K95 WeakPolarHBondContact O-CG 3.38Å; P91-K95 PolarHBondContact O-N 3.18Å; S92-K95 CarbonylContact O-C 3.48Å; S92-K95 PolarHBondContact O-N 3.48Å; K95-G97 PolarHBondContact O-N 3.02Å
96	S	76.8	Confident	84.7	Confident	63 Å²	63	64.1 Å²	64.1	44%	0.441	33%	0.327	S	S	.	.	S	Bend	trans	-59.2	-30.7	-176.9	65.2	0	0	0	0	113.1	S92 L93 V98	S92-S96 PolarHBondContact O-N 3.2Å; L93-S96 PolarHBondContact O-OG 3.39Å; S96-V98 PolarHBondContact O-N 3.46Å; S96-V98 VanDerWaalsContact O-N 3.14Å; S96-V98 PolarHBondContact OG-N 2.89Å
97	G	74.8	Confident	84.7	Confident	40 Å²	40	62.8 Å²	62.8	41%	0.412	32%	0.324	S	S	.	.			trans	72.1	-8.1	-172.5	0	0	0	0	0	113.9	K95 N100	K95-G97 PolarHBondContact O-N 3.02Å; G97-N100 WeakPolarHBondContact O-CB 3.19Å; G97-N100 PolarHBondContact O-N 3.41Å; G97-N100 VanDerWaalsContact O-N 3.15Å; G97-N100 PolarHBondContact O-ND2 2.9Å
98	V	81.9	Confident	84.9	Confident	68 Å²	68	68 Å²	68	41%	0.412	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.5	177.8	179.6	0	0	0	0	109.6	S96 N100 H144 Q148	S96-V98 PolarHBondContact O-N 3.46Å; S96-V98 VanDerWaalsContact O-N 3.14Å; S96-V98 PolarHBondContact OG-N 2.89Å; V98-N100 PolarHBondContact O-N 3Å; V98-N100 VanDerWaalsContact O-N 3.16Å; V98-N100 PolarHBondContact O-ND2 2.93Å; V98-H144 PolarHBondContact O-CE1 3.05Å; V98-Q148 HydrophobicContact CG1-CB 3.89Å; V98-Q148 HydrophobicContact CG1-CG 4.32Å
99	G	85.9	Confident	85.2	Confident	3 Å²	3	68.9 Å²	68.9	3%	0.031	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	-0	-178.5	0	0	0	0	0	115.7	H144 F145	G99-H144 WeakPolarHBondContact O-CA 3.21Å; G99-F145 PolarHBondContact O-N 3.08Å
100	N	91.6	Very high	85.8	Confident	37 Å²	37	61.8 Å²	61.8	20%	0.198	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.2	-179.1	-72.7	-97	0	0	0	112.1	G97 V98 H144 F173	G97-N100 WeakPolarHBondContact O-CB 3.19Å; G97-N100 PolarHBondContact O-N 3.41Å; G97-N100 VanDerWaalsContact O-N 3.15Å; G97-N100 PolarHBondContact O-ND2 2.9Å; V98-N100 PolarHBondContact O-N 3Å; V98-N100 VanDerWaalsContact O-N 3.16Å; V98-N100 PolarHBondContact O-ND2 2.93Å; N100-H144 PolarHBondContact ND2-CE1 3.16Å; N100-H144 PolarHBondContact ND2-ND1 2.91Å; N100-H144 PolarHBondContact ND2-NE2 2.7Å; N100-F173 HydrophobicContact CB-CB 3.68Å; N100-F173 HydrophobicContact CB-CD1 4.37Å; N100-F173 HydrophobicContact CB-CG 4.25Å; N100-F173 WeakPolarHBondContact O-CB 3.37Å; N100-F173 PolarHBondContact O-N 3.41Å
101	V	93.6	Very high	86.2	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.3	177.1	-177.8	0	0	0	0	109.7	I103 F142 V143 F145 A151 I155 V170	V101-I103 HydrophobicContact CG1-CG1 4.2Å; V101-F142 WeakPolarHBondContact O-CA 3.49Å; V101-V143 HydrophobicContact CB-CB 4.48Å; V101-V143 PolarHBondContact N-O 2.81Å; V101-V143 PolarHBondContact O-N 3.14Å; V101-F145 HydrophobicContact CG2-CD2 3.9Å; V101-F145 HydrophobicContact CG2-CE2 3.93Å; V101-A151 HydrophobicContact CG2-CB 3.43Å; V101-A151 VanDerWaalsContact CG2-CB 3.43Å; V101-I155 HydrophobicContact CG1-CG1 4.13Å; V101-I155 HydrophobicContact CG2-CD1 4.29Å; V101-I155 HydrophobicContact CG2-CG1 4.31Å; V101-V170 HydrophobicContact CG1-CG1 3.38Å
102	F	94.6	Very high	86.8	Confident	34 Å²	34	59.3 Å²	59.3	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	170.3	170.8	-121.2	0	0	0	109.7	K104 Y140 A141 F142 G171 F173	F102-K104 HydrophobicContact CE1-CB 3.87Å; F102-K104 HydrophobicContact CE1-CD 4.27Å; F102-K104 HydrophobicContact CE1-CG 4.43Å; F102-K104 HydrophobicContact CZ-CB 3.81Å; F102-K104 HydrophobicContact CZ-CD 4.3Å; F102-K104 HydrophobicContact CZ-CG 4.16Å; F102-Y140 AromaticContact CE2-CD2 3.84Å; F102-Y140 HydrophobicContact CE2-CD2 3.84Å; F102-Y140 HydrophobicContact CE2-CG 4.2Å; F102-A141 WeakPolarHBondContact CD2-O 3.26Å; F102-F142 HydrophobicContact CB-CD1 4.33Å; F102-F142 HydrophobicContact CB-CE1 4.44Å; F102-F142 AromaticContact CD2-CD1 3.78Å; F102-F142 HydrophobicContact CD2-CD1 3.78Å; F102-F142 AromaticContact CD2-CE1 3.37Å; F102-F142 HydrophobicContact CD2-CE1 3.37Å; F102-F142 HydrophobicContact CD2-CZ 4.19Å; F102-F142 AromaticContact CE2-CE1 3.97Å; F102-F142 HydrophobicContact CE2-CE1 3.97Å; F102-F142 HydrophobicContact CE2-CZ 4.38Å; F102-F142 HydrophobicContact CG-CE1 4.24Å; F102-G171 PolarHBondContact N-O 3.44Å; F102-G171 PolarHBondContact O-N 3.19Å; F102-F173 HydrophobicContact CB-CB 4.48Å; F102-F173 HydrophobicContact CB-CD2 4.5Å
103	I	94.1	Very high	87.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.1	-179.4	-58.4	164.1	0	0	0	108.2	V101 L106 L115 F119 Y140 A141 V143 V168 F169 V170	V101-I103 HydrophobicContact CG1-CG1 4.2Å; I103-L106 HydrophobicContact CG2-CD1 4.17Å; I103-L115 HydrophobicContact CD1-CD1 3.81Å; I103-F119 HydrophobicContact CD1-CD1 4.28Å; I103-F119 HydrophobicContact CD1-CD2 4.13Å; I103-F119 HydrophobicContact CD1-CE1 3.78Å; I103-F119 HydrophobicContact CD1-CE2 3.63Å; I103-F119 HydrophobicContact CD1-CG 4.45Å; I103-F119 HydrophobicContact CD1-CZ 3.43Å; I103-F119 VanDerWaalsContact CD1-CZ 3.43Å; I103-F119 HydrophobicContact CG1-CE1 4.46Å; I103-F119 HydrophobicContact CG1-CZ 4.17Å; I103-Y140 CarbonylContact O-C 3.42Å; I103-Y140 WeakPolarHBondContact O-CA 3.47Å; I103-Y140 VanDerWaalsContact O-CB 3.27Å; I103-Y140 WeakPolarHBondContact O-CB 3.39Å; I103-A141 HydrophobicContact CB-CB 4.39Å; I103-A141 PolarHBondContact N-O 2.8Å; I103-A141 PolarHBondContact O-N 3.42Å; I103-V143 HydrophobicContact CD1-CG2 3.62Å; I103-V168 HydrophobicContact CG2-CB 4.48Å; I103-F169 CarbonylContact C-O 3.46Å; I103-F169 WeakPolarHBondContact CA-O 3.33Å; I103-V170 HydrophobicContact CG1-CG1 4.22Å; I103-V170 HydrophobicContact CG1-CG2 4.29Å; I103-V170 HydrophobicContact CG2-CG2 4.41Å
104	K	93.3	Very high	88	Confident	124 Å²	124	58.4 Å²	58.4	54%	0.539	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.4	-177.2	-171.7	-172.2	173.7	-165.4	0	110.4	F102 L106 F169	F102-K104 HydrophobicContact CE1-CB 3.87Å; F102-K104 HydrophobicContact CE1-CD 4.27Å; F102-K104 HydrophobicContact CE1-CG 4.43Å; F102-K104 HydrophobicContact CZ-CB 3.81Å; F102-K104 HydrophobicContact CZ-CD 4.3Å; F102-K104 HydrophobicContact CZ-CG 4.16Å; K104-L106 PolarHBondContact O-N 3.39Å; K104-F169 HydrophobicContact CB-CB 4.33Å; K104-F169 HydrophobicContact CB-CD1 4.24Å; K104-F169 PolarHBondContact N-O 3.32Å; K104-F169 PolarHBondContact O-N 3Å
105	N	92.1	Very high	88.7	Confident	77 Å²	77	52.1 Å²	52.1	41%	0.412	28%	0.28	S	S	.	.	S	Bend	trans	62.7	31.1	-173.1	-161.9	48.4	0	0	0	112.5	G139 R166 K167	N105-G139 WeakPolarHBondContact CA-O 3.43Å; N105-G139 PolarHBondContact N-O 2.99Å; N105-R166 WeakPolarHBondContact O-CB 3.34Å; N105-K167 PolarHBondContact ND2-O 2.71Å
106	L	92.8	Very high	89.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.257	C	S	.	.			trans	-65.2	144.1	167.3	-165	69.1	0	0	0	108.8	I103 K104 I110 L115 V130 G139 A141 L163 V168	I103-L106 HydrophobicContact CG2-CD1 4.17Å; K104-L106 PolarHBondContact O-N 3.39Å; L106-I110 HydrophobicContact CD1-CB 4.3Å; L106-I110 HydrophobicContact CD1-CD1 3.6Å; L106-I110 HydrophobicContact CD1-CG2 4.12Å; L106-I110 HydrophobicContact CD2-CB 4.12Å; L106-I110 HydrophobicContact CD2-CG2 3.98Å; L106-I110 HydrophobicContact CG-CB 4Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 HydrophobicContact CG-CG2 4.17Å; L106-L115 HydrophobicContact CD1-CD1 4.39Å; L106-L115 HydrophobicContact CD2-CD1 4.25Å; L106-V130 HydrophobicContact CD2-CG1 4.48Å; L106-V130 HydrophobicContact CD2-CG2 3.97Å; L106-G139 PolarHBondContact N-O 3.45Å; L106-G139 WeakPolarHBondContact O-CA 3.36Å; L106-A141 HydrophobicContact CD2-CB 3.95Å; L106-L163 HydrophobicContact CD1-CD2 4.05Å; L106-V168 HydrophobicContact CD1-CG1 4.08Å
107	D	92.1	Very high	90.3	Very high	26 Å²	26	47.8 Å²	47.8	14%	0.139	26%	0.255	C	S	.	.			trans	-66.9	153.4	172.2	-172.4	-98.8	0	0	0	112	S109 I110 N164 R166	D107-S109 VanDerWaalsContact C-N 3.29Å; D107-S109 PolarHBondContact O-N 2.93Å; D107-S109 VanDerWaalsContact OD1-CB 3.25Å; D107-S109 WeakPolarHBondContact OD1-CB 3.44Å; D107-S109 PolarHBondContact OD1-N 3.28Å; D107-S109 PolarHBondContact OD1-OG 3.26Å; D107-I110 HydrophobicContact CB-CD1 4.11Å; D107-I110 HydrophobicContact CB-CG1 4.33Å; D107-I110 PolarHBondContact O-N 3.44Å; D107-N164 HydrophobicContact CB-CB 3.93Å; D107-R166 HydrophobicContact CB-CG 4.15Å; D107-R166 IonicContact OD2-CZ 2.92Å; D107-R166 IonicContact OD2-NE 2.65Å; D107-R166 PolarHBondContact OD2-NE 3.13Å; D107-R166 IonicContact OD2-NH2 2.63Å; D107-R166 PolarHBondContact OD2-NH2 3.32Å
108	K	91.4	Very high	91.1	Very high	125 Å²	125	48.4 Å²	48.4	54%	0.543	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-21.1	-178.5	-70.7	-161	170.7	-157.1	0	114	I110 S137	K108-I110 VanDerWaalsContact C-N 3.29Å; K108-S137 WeakPolarHBondContact CD-O 3.36Å; K108-S137 WeakPolarHBondContact CE-O 3.45Å
109	S	90.8	Very high	91.7	Very high	78 Å²	78	45.2 Å²	45.2	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.3	174.9	61.1	0	0	0	0	113.7	D107 D111 N164	D107-S109 VanDerWaalsContact C-N 3.29Å; D107-S109 PolarHBondContact O-N 2.93Å; D107-S109 VanDerWaalsContact OD1-CB 3.25Å; D107-S109 WeakPolarHBondContact OD1-CB 3.44Å; D107-S109 PolarHBondContact OD1-N 3.28Å; D107-S109 PolarHBondContact OD1-OG 3.26Å; S109-D111 PolarHBondContact O-N 3.1Å; S109-N164 PolarHBondContact OG-ND2 3.24Å
110	I	90.5	Very high	92	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.051	25%	0.249	C	C	.	.			trans	-82.4	117.1	-175.9	-58.3	171.7	0	0	0	109	L106 D107 K108 A114 L115 L163 N164	L106-I110 HydrophobicContact CD1-CB 4.3Å; L106-I110 HydrophobicContact CD1-CD1 3.6Å; L106-I110 HydrophobicContact CD1-CG2 4.12Å; L106-I110 HydrophobicContact CD2-CB 4.12Å; L106-I110 HydrophobicContact CD2-CG2 3.98Å; L106-I110 HydrophobicContact CG-CB 4Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 HydrophobicContact CG-CG2 4.17Å; D107-I110 HydrophobicContact CB-CD1 4.11Å; D107-I110 HydrophobicContact CB-CG1 4.33Å; D107-I110 PolarHBondContact O-N 3.44Å; K108-I110 VanDerWaalsContact C-N 3.29Å; I110-A114 HydrophobicContact CG2-CB 4.22Å; I110-L115 HydrophobicContact CG2-CB 4.35Å; I110-L163 HydrophobicContact CD1-CB 4.1Å; I110-L163 HydrophobicContact CD1-CD2 4.17Å; I110-L163 HydrophobicContact CD1-CG 4.42Å; I110-N164 HydrophobicContact CD1-CB 4.5Å
111	D	90.2	Very high	92.1	Very high	74 Å²	74	50 Å²	50	40%	0.396	27%	0.273	S	S	.	.			trans	-93.4	-172.5	179.2	86.6	-51.6	0	0	0	111.6	S109 K113 A114 L115 V130	S109-D111 PolarHBondContact O-N 3.1Å; D111-K113 VanDerWaalsContact CG-N 3.33Å; D111-K113 PolarHBondContact OD1-N 3.44Å; D111-K113 WeakPolarHBondContact OD2-CB 3.48Å; D111-K113 PolarHBondContact OD2-N 2.74Å; D111-A114 VanDerWaalsContact OD1-CB 3.25Å; D111-A114 WeakPolarHBondContact OD1-CB 3.3Å; D111-A114 PolarHBondContact OD1-N 3.03Å; D111-L115 VanDerWaalsContact O-CB 3.24Å; D111-L115 WeakPolarHBondContact O-CB 3.31Å; D111-L115 PolarHBondContact O-N 3.14Å; D111-V130 WeakPolarHBondContact O-CG2 3.25Å
112	N	90.6	Very high	92.1	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-69.8	-33.1	178.9	-55.9	-75.1	0	0	0	112.6	F74 Y116 K129 V130	F74-N112 HydrophobicContact CB-CB 3.89Å; F74-N112 HydrophobicContact CD1-CB 3.34Å; F74-N112 HydrophobicContact CD2-CB 3.98Å; F74-N112 HydrophobicContact CE1-CB 3.83Å; F74-N112 HydrophobicContact CE2-CB 4.4Å; F74-N112 HydrophobicContact CG-CB 3.42Å; F74-N112 VanDerWaalsContact CG-CB 3.42Å; F74-N112 HydrophobicContact CZ-CB 4.34Å; N112-Y116 WeakPolarHBondContact O-CB 3.44Å; N112-Y116 PolarHBondContact O-N 3.44Å; N112-K129 WeakPolarHBondContact OD1-CA 3.27Å; N112-V130 PolarHBondContact OD1-N 3Å
113	K	88.9	Confident	92	Very high	109 Å²	109	50.7 Å²	50.7	47%	0.474	28%	0.282	S	S	.	.	H	α-helix	trans	-74.5	-49.7	-178.3	-164.2	-159.6	178.4	-56.7	0	111.4	F74 D111 L115 Y116 D117	F74-K113 HydrophobicContact CD2-CB 4.46Å; D111-K113 VanDerWaalsContact CG-N 3.33Å; D111-K113 PolarHBondContact OD1-N 3.44Å; D111-K113 WeakPolarHBondContact OD2-CB 3.48Å; D111-K113 PolarHBondContact OD2-N 2.74Å; K113-L115 PolarHBondContact O-N 2.98Å; K113-Y116 WeakPolarHBondContact O-CA 3.3Å; K113-Y116 WeakPolarHBondContact O-CB 3.47Å; K113-Y116 PolarHBondContact O-N 2.96Å; K113-D117 IonicContact NZ-OD1 2.73Å; K113-D117 PolarHBondContact NZ-OD1 3.44Å; K113-D117 IonicContact NZ-OD2 2.82Å; K113-D117 PolarHBondContact NZ-OD2 3.28Å; K113-D117 WeakPolarHBondContact O-CB 3.36Å; K113-D117 PolarHBondContact O-N 3.28Å
114	A	91.4	Very high	91.8	Very high	36 Å²	36	54.6 Å²	54.6	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-34	175.9	0	0	0	0	0	111.8	I110 D111 T118	I110-A114 HydrophobicContact CG2-CB 4.22Å; D111-A114 VanDerWaalsContact OD1-CB 3.25Å; D111-A114 WeakPolarHBondContact OD1-CB 3.3Å; D111-A114 PolarHBondContact OD1-N 3.03Å; A114-T118 VanDerWaalsContact O-CB 3.29Å; A114-T118 WeakPolarHBondContact O-CB 3.23Å; A114-T118 PolarHBondContact O-N 2.89Å; A114-T118 PolarHBondContact O-OG1 3.45Å
115	L	92.3	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-45.9	171.5	-174.1	74.4	0	0	0	112.5	I103 L106 I110 D111 K113 F119 C128 V130 A141 V143	I103-L115 HydrophobicContact CD1-CD1 3.81Å; L106-L115 HydrophobicContact CD1-CD1 4.39Å; L106-L115 HydrophobicContact CD2-CD1 4.25Å; I110-L115 HydrophobicContact CG2-CB 4.35Å; D111-L115 VanDerWaalsContact O-CB 3.24Å; D111-L115 WeakPolarHBondContact O-CB 3.31Å; D111-L115 PolarHBondContact O-N 3.14Å; K113-L115 PolarHBondContact O-N 2.98Å; L115-F119 HydrophobicContact CD1-CD2 3.79Å; L115-F119 HydrophobicContact CD1-CE2 3.84Å; L115-F119 HydrophobicContact CG-CD2 4.41Å; L115-F119 WeakPolarHBondContact O-CB 3.42Å; L115-F119 WeakPolarHBondContact O-CD2 3.41Å; L115-F119 PolarHBondContact O-N 2.92Å; L115-C128 HydrophobicContact CD2-CB 3.99Å; L115-V130 HydrophobicContact CB-CG2 4.33Å; L115-V130 HydrophobicContact CD2-CG2 3.88Å; L115-A141 HydrophobicContact CD1-CB 4.36Å; L115-A141 HydrophobicContact CD2-CB 3.53Å; L115-V143 HydrophobicContact CD1-CG2 4.49Å; L115-V143 HydrophobicContact CD2-CG2 4.06Å; L115-V143 HydrophobicContact CG-CG2 4.18Å
116	Y	91.9	Very high	91.6	Very high	71 Å²	71	47.8 Å²	47.8	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-54.1	175.7	-176.2	-93.3	0	0	0	111	F74 N112 K113 T118 F119 S120 I125	F74-Y116 HydrophobicContact CE2-CD2 4.33Å; F74-Y116 HydrophobicContact CE2-CG 4.24Å; F74-Y116 HydrophobicContact CZ-CD2 4.4Å; N112-Y116 WeakPolarHBondContact O-CB 3.44Å; N112-Y116 PolarHBondContact O-N 3.44Å; K113-Y116 WeakPolarHBondContact O-CA 3.3Å; K113-Y116 WeakPolarHBondContact O-CB 3.47Å; K113-Y116 PolarHBondContact O-N 2.96Å; Y116-T118 VanDerWaalsContact C-N 3.31Å; Y116-T118 PolarHBondContact O-N 2.96Å; Y116-F119 PolarHBondContact O-N 3.45Å; Y116-S120 VanDerWaalsContact O-CB 3.3Å; Y116-S120 WeakPolarHBondContact O-CB 3.36Å; Y116-S120 PolarHBondContact O-N 3.16Å; Y116-I125 HydrophobicContact CD2-CB 4.05Å; Y116-I125 HydrophobicContact CD2-CD1 4.13Å; Y116-I125 HydrophobicContact CD2-CG2 3.9Å; Y116-I125 HydrophobicContact CE2-CB 3.73Å; Y116-I125 HydrophobicContact CE2-CD1 4.47Å; Y116-I125 HydrophobicContact CE2-CG2 3.93Å
117	D	91.8	Very high	91.4	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-53.3	-49.4	-179.8	-62.2	-19	0	0	0	110.2	K113 S120	K113-D117 IonicContact NZ-OD1 2.73Å; K113-D117 PolarHBondContact NZ-OD1 3.44Å; K113-D117 IonicContact NZ-OD2 2.82Å; K113-D117 PolarHBondContact NZ-OD2 3.28Å; K113-D117 WeakPolarHBondContact O-CB 3.36Å; K113-D117 PolarHBondContact O-N 3.28Å; D117-S120 PolarHBondContact O-OG 2.94Å
118	T	91.6	Very high	91.3	Very high	54 Å²	54	47 Å²	47	33%	0.331	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-44.1	-179.5	-56.5	0	0	0	0	113.2	A114 Y116 M158 L163	A114-T118 VanDerWaalsContact O-CB 3.29Å; A114-T118 WeakPolarHBondContact O-CB 3.23Å; A114-T118 PolarHBondContact O-N 2.89Å; A114-T118 PolarHBondContact O-OG1 3.45Å; Y116-T118 VanDerWaalsContact C-N 3.31Å; Y116-T118 PolarHBondContact O-N 2.96Å; T118-M158 HydrophobicContact CG2-CE 3.93Å; T118-L163 HydrophobicContact CG2-CD2 4.36Å
119	F	93.5	Very high	91.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-87.7	-15.9	-173.7	-81	-95.6	0	0	0	113.7	I103 L115 Y116 A121 F122 I125 V143 F145 A154 M158 L163 V170	I103-F119 HydrophobicContact CD1-CD1 4.28Å; I103-F119 HydrophobicContact CD1-CD2 4.13Å; I103-F119 HydrophobicContact CD1-CE1 3.78Å; I103-F119 HydrophobicContact CD1-CE2 3.63Å; I103-F119 HydrophobicContact CD1-CG 4.45Å; I103-F119 HydrophobicContact CD1-CZ 3.43Å; I103-F119 VanDerWaalsContact CD1-CZ 3.43Å; I103-F119 HydrophobicContact CG1-CE1 4.46Å; I103-F119 HydrophobicContact CG1-CZ 4.17Å; L115-F119 HydrophobicContact CD1-CD2 3.79Å; L115-F119 HydrophobicContact CD1-CE2 3.84Å; L115-F119 HydrophobicContact CG-CD2 4.41Å; L115-F119 WeakPolarHBondContact O-CB 3.42Å; L115-F119 WeakPolarHBondContact O-CD2 3.41Å; L115-F119 PolarHBondContact O-N 2.92Å; Y116-F119 PolarHBondContact O-N 3.45Å; F119-A121 PolarHBondContact O-N 2.63Å; F119-A121 VanDerWaalsContact O-N 3.14Å; F119-F122 HydrophobicContact CD1-CD2 4.08Å; F119-F122 HydrophobicContact CD1-CE2 4.28Å; F119-F122 WeakPolarHBondContact O-CD2 3.41Å; F119-F122 PolarHBondContact O-N 3.09Å; F119-F122 VanDerWaalsContact O-N 3.11Å; F119-I125 HydrophobicContact CB-CD1 3.74Å; F119-V143 HydrophobicContact CB-CG1 4.39Å; F119-V143 HydrophobicContact CB-CG2 4.44Å; F119-V143 HydrophobicContact CG-CG2 4.32Å; F119-F145 HydrophobicContact CB-CZ 4.08Å; F119-F145 HydrophobicContact CD1-CZ 4.17Å; F119-F145 WeakPolarHBondContact O-CE1 3.33Å; F119-A154 HydrophobicContact CD1-CB 4.16Å; F119-A154 HydrophobicContact CE1-CB 4.37Å; F119-M158 HydrophobicContact CE1-CB 4.12Å; F119-M158 HydrophobicContact CE1-CG 3.92Å; F119-M158 HydrophobicContact CE2-CE 4.48Å; F119-M158 HydrophobicContact CZ-CB 4.16Å; F119-M158 HydrophobicContact CZ-CE 4.25Å; F119-M158 HydrophobicContact CZ-CG 4.14Å; F119-L163 HydrophobicContact CE2-CD2 4.45Å; F119-V170 HydrophobicContact CE1-CG1 4.31Å; F119-V170 HydrophobicContact CZ-CG2 4.34Å
120	S	94.1	Very high	91.3	Very high	55 Å²	55	40.7 Å²	40.7	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-56.3	-29.7	177.3	68.8	0	0	0	0	113	Y116 D117 F122 G123	Y116-S120 VanDerWaalsContact O-CB 3.3Å; Y116-S120 WeakPolarHBondContact O-CB 3.36Å; Y116-S120 PolarHBondContact O-N 3.16Å; D117-S120 PolarHBondContact O-OG 2.94Å; S120-F122 PolarHBondContact O-N 2.84Å; S120-F122 VanDerWaalsContact O-N 3.1Å; S120-G123 PolarHBondContact O-N 2.73Å; S120-G123 VanDerWaalsContact O-N 3.14Å
121	A	93.5	Very high	91.3	Very high	85 Å²	85	41.2 Å²	41.2	70%	0.702	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.8	177.8	0	0	0	0	0	114.8	F119	F119-A121 PolarHBondContact O-N 2.63Å; F119-A121 VanDerWaalsContact O-N 3.14Å
122	F	93.7	Very high	91.1	Very high	30 Å²	30	41.1 Å²	41.1	13%	0.132	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-18.2	178.3	-55.6	-71.2	0	0	0	113.5	F119 S120 F145 A150 R153 A154 K157 M158	F119-F122 HydrophobicContact CD1-CD2 4.08Å; F119-F122 HydrophobicContact CD1-CE2 4.28Å; F119-F122 WeakPolarHBondContact O-CD2 3.41Å; F119-F122 PolarHBondContact O-N 3.09Å; F119-F122 VanDerWaalsContact O-N 3.11Å; S120-F122 PolarHBondContact O-N 2.84Å; S120-F122 VanDerWaalsContact O-N 3.1Å; F122-F145 HydrophobicContact CB-CE1 4.07Å; F122-F145 HydrophobicContact CB-CZ 4.05Å; F122-A150 WeakPolarHBondContact O-CB 3.5Å; F122-R153 PolarHBondContact O-NE 3.45Å; F122-R153 PolarHBondContact O-NH2 3.28Å; F122-A154 HydrophobicContact CB-CB 3.85Å; F122-A154 HydrophobicContact CD1-CB 4.41Å; F122-A154 HydrophobicContact CD2-CB 3.84Å; F122-A154 HydrophobicContact CG-CB 3.74Å; F122-K157 HydrophobicContact CD1-CD 4.39Å; F122-K157 HydrophobicContact CE1-CB 3.89Å; F122-K157 HydrophobicContact CE1-CD 3.85Å; F122-K157 HydrophobicContact CE1-CG 4.46Å; F122-K157 HydrophobicContact CZ-CB 4.48Å; F122-M158 HydrophobicContact CD2-CG 4.47Å; F122-M158 HydrophobicContact CE1-CG 4.32Å; F122-M158 HydrophobicContact CE2-CG 3.53Å; F122-M158 HydrophobicContact CE2-SD 3.85Å; F122-M158 HydrophobicContact CZ-CG 3.45Å; F122-M158 VanDerWaalsContact CZ-CG 3.45Å; F122-M158 HydrophobicContact CZ-SD 3.46Å; F122-M158 WeakPolarHBondContact CZ-SD 3.36Å
123	G	91.2	Very high	90.8	Very high	21 Å²	21	43.6 Å²	43.6	22%	0.216	25%	0.253	C	S	.	.	S	Bend	trans	152.4	175.4	178.9	0	0	0	0	0	112.6	S120 I125 F145	S120-G123 PolarHBondContact O-N 2.73Å; S120-G123 VanDerWaalsContact O-N 3.14Å; G123-I125 PolarHBondContact O-N 3.28Å; G123-F145 WeakPolarHBondContact O-CD1 3.28Å; G123-F145 WeakPolarHBondContact O-CE1 3.4Å
124	N	90.1	Very high	90.4	Very high	82 Å²	82	47.9 Å²	47.9	44%	0.439	28%	0.275	S	S	.	.			trans	-59	128.7	-178.8	-173	18.6	0	0	0	112.3	F145 E146	N124-F145 WeakPolarHBondContact O-CA 3.21Å; N124-E146 HydrophobicContact CB-CB 4.16Å; N124-E146 WeakPolarHBondContact CB-OE2 3.38Å; N124-E146 PolarHBondContact ND2-OE2 3.25Å; N124-E146 PolarHBondContact O-N 2.94Å
125	I	91.9	Very high	89.8	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.051	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.9	179.5	-66.8	174.7	0	0	0	108.9	Y116 F119 G123 S127 C128 V143 H144 F145	Y116-I125 HydrophobicContact CD2-CB 4.05Å; Y116-I125 HydrophobicContact CD2-CD1 4.13Å; Y116-I125 HydrophobicContact CD2-CG2 3.9Å; Y116-I125 HydrophobicContact CE2-CB 3.73Å; Y116-I125 HydrophobicContact CE2-CD1 4.47Å; Y116-I125 HydrophobicContact CE2-CG2 3.93Å; F119-I125 HydrophobicContact CB-CD1 3.74Å; G123-I125 PolarHBondContact O-N 3.28Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 WeakPolarHBondContact CG2-O 3.39Å; I125-S127 PolarHBondContact O-N 3.45Å; I125-C128 HydrophobicContact CG2-CB 4.13Å; I125-V143 HydrophobicContact CD1-CG1 3.85Å; I125-V143 HydrophobicContact CG1-CG1 3.88Å; I125-V143 HydrophobicContact CG2-CG1 4.07Å; I125-H144 CarbonylContact C-O 3.54Å; I125-F145 HydrophobicContact CD1-CE1 4.22Å; I125-F145 HydrophobicContact CG1-CD1 3.86Å; I125-F145 HydrophobicContact CG1-CE1 3.63Å; I125-F145 HydrophobicContact CG1-CZ 4.33Å
126	L	88.8	Confident	89.3	Confident	48 Å²	48	54.4 Å²	54.4	25%	0.251	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-29.5	171.8	-61.5	-178.2	0	0	0	112.1	M85 H144 E146	M85-L126 HydrophobicContact CE-CB 4.38Å; M85-L126 WeakPolarHBondContact CG-O 3.07Å; L126-H144 PolarHBondContact N-O 2.81Å; L126-E146 HydrophobicContact CD1-CB 4.3Å; L126-E146 HydrophobicContact CD2-CB 4.04Å; L126-E146 HydrophobicContact CD2-CG 4.29Å; L126-E146 HydrophobicContact CG-CB 3.96Å
127	S	88.6	Confident	89.2	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	147.3	172.8	-138.3	0	0	0	0	112.2	R83 M85 I125 H144	R83-S127 VanDerWaalsContact CD-OG 3.32Å; R83-S127 WeakPolarHBondContact CD-OG 3.48Å; R83-S127 WeakPolarHBondContact CG-OG 3.31Å; R83-S127 PolarHBondContact NH1-OG 2.82Å; M85-S127 WeakPolarHBondContact CG-OG 3.46Å; M85-S127 PolarHBondContact SD-OG 3.21Å; M85-S127 VanDerWaalsContact SD-OG 3.37Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 WeakPolarHBondContact CG2-O 3.39Å; I125-S127 PolarHBondContact O-N 3.45Å; S127-H144 PolarHBondContact N-O 3.22Å; S127-H144 PolarHBondContact O-N 2.81Å
128	C	91.3	Very high	89.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.4	162.1	61	0	0	0	0	111.4	F74 R83 L115 I125 F142 V143	F74-C128 WeakPolarHBondContact CE1-O 3.31Å; F74-C128 WeakPolarHBondContact CZ-SG 3.43Å; R83-C128 WeakPolarHBondContact CD-O 3.34Å; L115-C128 HydrophobicContact CD2-CB 3.99Å; I125-C128 HydrophobicContact CG2-CB 4.13Å; C128-F142 CarbonylContact C-O 3.53Å; C128-F142 VanDerWaalsContact CA-O 3.24Å; C128-F142 WeakPolarHBondContact CA-O 3.41Å; C128-V143 HydrophobicContact CB-CB 4.37Å; C128-V143 HydrophobicContact CB-CG1 4.4Å; C128-V143 HydrophobicContact CB-CG2 3.86Å
129	K	90.2	Very high	89	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	117.8	-179.7	-176.9	175.6	-179.3	-176.3	0	111.8	D17 N112 A141 F142	D17-K129 VanDerWaalsContact CG-NZ 3.27Å; D17-K129 IonicContact OD1-NZ 2.64Å; D17-K129 PolarHBondContact OD1-NZ 2.65Å; D17-K129 IonicContact OD2-NZ 2.71Å; N112-K129 WeakPolarHBondContact OD1-CA 3.27Å; K129-A141 CarbonylContact O-C 3.55Å; K129-A141 WeakPolarHBondContact O-CA 3.43Å; K129-A141 WeakPolarHBondContact O-CB 3.46Å; K129-F142 PolarHBondContact N-O 3.47Å; K129-F142 PolarHBondContact O-N 2.91Å
130	V	91.7	Very high	89	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.8	158.5	-178.5	0	0	0	0	108.4	L106 D111 N112 L115 S137 A141	L106-V130 HydrophobicContact CD2-CG1 4.48Å; L106-V130 HydrophobicContact CD2-CG2 3.97Å; D111-V130 WeakPolarHBondContact O-CG2 3.25Å; N112-V130 PolarHBondContact OD1-N 3Å; L115-V130 HydrophobicContact CB-CG2 4.33Å; L115-V130 HydrophobicContact CD2-CG2 3.88Å; V130-S137 WeakPolarHBondContact CG1-OG 3.41Å; V130-A141 HydrophobicContact CB-CB 4.48Å; V130-A141 HydrophobicContact CG2-CB 4.12Å
131	V	89.9	Confident	89	Confident	22 Å²	22	51.1 Å²	51.1	13%	0.133	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.2	176.5	-175	0	0	0	0	110.2	K138 Y140 F142	V131-K138 HydrophobicContact CG1-CD 3.97Å; V131-K138 VanDerWaalsContact O-CB 3.29Å; V131-K138 WeakPolarHBondContact O-CB 3.33Å; V131-K138 WeakPolarHBondContact O-CG 3.5Å; V131-K138 PolarHBondContact O-N 2.81Å; V131-Y140 HydrophobicContact CB-CD2 4.13Å; V131-Y140 HydrophobicContact CB-CE1 4.48Å; V131-Y140 HydrophobicContact CB-CE2 3.62Å; V131-Y140 HydrophobicContact CG1-CE2 4.13Å; V131-Y140 HydrophobicContact CG2-CD2 3.99Å; V131-Y140 HydrophobicContact CG2-CE2 3.47Å; V131-Y140 VanDerWaalsContact CG2-CE2 3.47Å; V131-Y140 PolarHBondContact N-O 2.98Å; V131-F142 HydrophobicContact CG2-CD2 4.06Å; V131-F142 HydrophobicContact CG2-CE2 3.67Å
132	C	86.3	Confident	89	Confident	72 Å²	72	49.6 Å²	49.6	49%	0.486	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.8	174.4	-56	0	0	0	0	112.2	G136	C132-G136 CarbonylContact C-O 3.46Å; C132-G136 WeakPolarHBondContact CA-O 3.38Å; C132-G136 WeakPolarHBondContact CB-O 3.48Å
133	D	84.4	Confident	89	Confident	65 Å²	65	48.1 Å²	48.1	35%	0.348	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-168.3	156.5	51.2	44.1	0	0	0	110.3	N135 G136 K138	D133-N135 PolarHBondContact O-N 2.89Å; D133-N135 WeakPolarHBondContact OD1-CA 3.44Å; D133-N135 WeakPolarHBondContact OD1-CB 3.35Å; D133-N135 PolarHBondContact OD1-N 2.89Å; D133-G136 PolarHBondContact N-O 2.73Å; D133-G136 PolarHBondContact O-N 3.12Å; D133-G136 PolarHBondContact OD1-N 3.17Å; D133-K138 WeakPolarHBondContact OD2-CE 3.49Å; D133-K138 WeakPolarHBondContact OD2-CG 3.42Å; D133-K138 IonicContact OD2-NZ 3.99Å; D133-K138 PolarHBondContact OD2-NZ 2.98Å
134	E	81	Confident	89	Confident	198 Å²	198	48.8 Å²	48.8	93%	0.925	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.6	177.8	-65.8	163.8	-170.3	0	0	112.7
135	N	77.4	Confident	89.2	Confident	142 Å²	142	44.9 Å²	44.9	76%	0.759	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	17.3	175	-56.5	103.4	0	0	0	112.9	D133	D133-N135 PolarHBondContact O-N 2.89Å; D133-N135 WeakPolarHBondContact OD1-CA 3.44Å; D133-N135 WeakPolarHBondContact OD1-CB 3.35Å; D133-N135 PolarHBondContact OD1-N 2.89Å
136	G	83.3	Confident	89	Confident	32 Å²	32	49.3 Å²	49.3	33%	0.33	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94	-153.4	175.9	0	0	0	0	0	114	C132 D133	C132-G136 CarbonylContact C-O 3.46Å; C132-G136 WeakPolarHBondContact CA-O 3.38Å; C132-G136 WeakPolarHBondContact CB-O 3.48Å; D133-G136 PolarHBondContact N-O 2.73Å; D133-G136 PolarHBondContact O-N 3.12Å; D133-G136 PolarHBondContact OD1-N 3.17Å
137	S	88.5	Confident	89.1	Confident	8 Å²	8	49.9 Å²	49.9	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.5	-175.5	173.3	0	0	0	0	112.7	K108 V130 G139	K108-S137 WeakPolarHBondContact CD-O 3.36Å; K108-S137 WeakPolarHBondContact CE-O 3.45Å; V130-S137 WeakPolarHBondContact CG1-OG 3.41Å; S137-G139 PolarHBondContact O-N 3.18Å; S137-G139 PolarHBondContact OG-N 3.29Å; S137-G139 VanDerWaalsContact OG-N 3.14Å
138	K	90.4	Very high	89.2	Confident	93 Å²	93	53.1 Å²	53.1	40%	0.404	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	4.4	172.7	-63.1	-175.5	-177.1	-77.1	0	113.3	V131 D133 Y140	V131-K138 HydrophobicContact CG1-CD 3.97Å; V131-K138 VanDerWaalsContact O-CB 3.29Å; V131-K138 WeakPolarHBondContact O-CB 3.33Å; V131-K138 WeakPolarHBondContact O-CG 3.5Å; V131-K138 PolarHBondContact O-N 2.81Å; D133-K138 WeakPolarHBondContact OD2-CE 3.49Å; D133-K138 WeakPolarHBondContact OD2-CG 3.42Å; D133-K138 IonicContact OD2-NZ 3.99Å; D133-K138 PolarHBondContact OD2-NZ 2.98Å; K138-Y140 VanDerWaalsContact C-N 3.32Å; K138-Y140 HydrophobicContact CB-CD1 3.7Å; K138-Y140 HydrophobicContact CB-CE1 3.51Å; K138-Y140 HydrophobicContact CD-CE1 3.74Å; K138-Y140 HydrophobicContact CG-CE1 4.29Å; K138-Y140 PolarHBondContact O-N 3.14Å
139	G	90.4	Very high	89.4	Confident	11 Å²	11	58 Å²	58	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.3	26.6	-179.2	0	0	0	0	0	114.2	N105 L106 S137	N105-G139 WeakPolarHBondContact CA-O 3.43Å; N105-G139 PolarHBondContact N-O 2.99Å; L106-G139 PolarHBondContact N-O 3.45Å; L106-G139 WeakPolarHBondContact O-CA 3.36Å; S137-G139 PolarHBondContact O-N 3.18Å; S137-G139 PolarHBondContact OG-N 3.29Å; S137-G139 VanDerWaalsContact OG-N 3.14Å
140	Y	93.3	Very high	89.6	Confident	74 Å²	74	54.9 Å²	54.9	29%	0.29	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.8	171.4	72.9	-96.3	0	0	0	112.1	F102 I103 V131 K138 F142	F102-Y140 AromaticContact CE2-CD2 3.84Å; F102-Y140 HydrophobicContact CE2-CD2 3.84Å; F102-Y140 HydrophobicContact CE2-CG 4.2Å; I103-Y140 CarbonylContact O-C 3.42Å; I103-Y140 WeakPolarHBondContact O-CA 3.47Å; I103-Y140 VanDerWaalsContact O-CB 3.27Å; I103-Y140 WeakPolarHBondContact O-CB 3.39Å; V131-Y140 HydrophobicContact CB-CD2 4.13Å; V131-Y140 HydrophobicContact CB-CE1 4.48Å; V131-Y140 HydrophobicContact CB-CE2 3.62Å; V131-Y140 HydrophobicContact CG1-CE2 4.13Å; V131-Y140 HydrophobicContact CG2-CD2 3.99Å; V131-Y140 HydrophobicContact CG2-CE2 3.47Å; V131-Y140 VanDerWaalsContact CG2-CE2 3.47Å; V131-Y140 PolarHBondContact N-O 2.98Å; K138-Y140 VanDerWaalsContact C-N 3.32Å; K138-Y140 HydrophobicContact CB-CD1 3.7Å; K138-Y140 HydrophobicContact CB-CE1 3.51Å; K138-Y140 HydrophobicContact CD-CE1 3.74Å; K138-Y140 HydrophobicContact CG-CE1 4.29Å; K138-Y140 PolarHBondContact O-N 3.14Å; Y140-F142 HydrophobicContact CD2-CE2 4.3Å; Y140-F142 HydrophobicContact CD2-CZ 4.18Å; Y140-F142 HydrophobicContact CE2-CE2 4Å; Y140-F142 AromaticContact CE2-CZ 3.97Å; Y140-F142 HydrophobicContact CE2-CZ 3.97Å
141	A	93.9	Very high	89.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	169.2	-174.6	0	0	0	0	0	112.4	F102 I103 L106 L115 K129 V130	F102-A141 WeakPolarHBondContact CD2-O 3.26Å; I103-A141 HydrophobicContact CB-CB 4.39Å; I103-A141 PolarHBondContact N-O 2.8Å; I103-A141 PolarHBondContact O-N 3.42Å; L106-A141 HydrophobicContact CD2-CB 3.95Å; L115-A141 HydrophobicContact CD1-CB 4.36Å; L115-A141 HydrophobicContact CD2-CB 3.53Å; K129-A141 CarbonylContact O-C 3.55Å; K129-A141 WeakPolarHBondContact O-CA 3.43Å; K129-A141 WeakPolarHBondContact O-CB 3.46Å; V130-A141 HydrophobicContact CB-CB 4.48Å; V130-A141 HydrophobicContact CG2-CB 4.12Å
142	F	93.6	Very high	89.9	Confident	53 Å²	53	55.3 Å²	55.3	23%	0.232	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.8	172.3	-53.8	-73.2	0	0	0	109.6	V101 F102 C128 K129 V131 Y140 F173	V101-F142 WeakPolarHBondContact O-CA 3.49Å; F102-F142 HydrophobicContact CB-CD1 4.33Å; F102-F142 HydrophobicContact CB-CE1 4.44Å; F102-F142 AromaticContact CD2-CD1 3.78Å; F102-F142 HydrophobicContact CD2-CD1 3.78Å; F102-F142 AromaticContact CD2-CE1 3.37Å; F102-F142 HydrophobicContact CD2-CE1 3.37Å; F102-F142 HydrophobicContact CD2-CZ 4.19Å; F102-F142 AromaticContact CE2-CE1 3.97Å; F102-F142 HydrophobicContact CE2-CE1 3.97Å; F102-F142 HydrophobicContact CE2-CZ 4.38Å; F102-F142 HydrophobicContact CG-CE1 4.24Å; C128-F142 CarbonylContact C-O 3.53Å; C128-F142 VanDerWaalsContact CA-O 3.24Å; C128-F142 WeakPolarHBondContact CA-O 3.41Å; K129-F142 PolarHBondContact N-O 3.47Å; K129-F142 PolarHBondContact O-N 2.91Å; V131-F142 HydrophobicContact CG2-CD2 4.06Å; V131-F142 HydrophobicContact CG2-CE2 3.67Å; Y140-F142 HydrophobicContact CD2-CE2 4.3Å; Y140-F142 HydrophobicContact CD2-CZ 4.18Å; Y140-F142 HydrophobicContact CE2-CE2 4Å; Y140-F142 AromaticContact CE2-CZ 3.97Å; Y140-F142 HydrophobicContact CE2-CZ 3.97Å; F142-F173 AromaticContact CD1-CD2 3.59Å; F142-F173 HydrophobicContact CD1-CD2 3.59Å; F142-F173 AromaticContact CD1-CE2 3.84Å; F142-F173 HydrophobicContact CD1-CE2 3.84Å; F142-F173 AromaticContact CE1-CD2 3.56Å; F142-F173 HydrophobicContact CE1-CD2 3.56Å; F142-F173 AromaticContact CE1-CE2 3.49Å; F142-F173 HydrophobicContact CE1-CE2 3.49Å; F142-F173 VanDerWaalsContact CE1-CE2 3.49Å; F142-F173 HydrophobicContact CZ-CE2 4.21Å
143	V	93.6	Very high	90.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.4	172	-180	0	0	0	0	107.6	V101 I103 L115 F119 I125 C128 F145	V101-V143 HydrophobicContact CB-CB 4.48Å; V101-V143 PolarHBondContact N-O 2.81Å; V101-V143 PolarHBondContact O-N 3.14Å; I103-V143 HydrophobicContact CD1-CG2 3.62Å; L115-V143 HydrophobicContact CD1-CG2 4.49Å; L115-V143 HydrophobicContact CD2-CG2 4.06Å; L115-V143 HydrophobicContact CG-CG2 4.18Å; F119-V143 HydrophobicContact CB-CG1 4.39Å; F119-V143 HydrophobicContact CB-CG2 4.44Å; F119-V143 HydrophobicContact CG-CG2 4.32Å; I125-V143 HydrophobicContact CD1-CG1 3.85Å; I125-V143 HydrophobicContact CG1-CG1 3.88Å; I125-V143 HydrophobicContact CG2-CG1 4.07Å; C128-V143 HydrophobicContact CB-CB 4.37Å; C128-V143 HydrophobicContact CB-CG1 4.4Å; C128-V143 HydrophobicContact CB-CG2 3.86Å; V143-F145 HydrophobicContact CB-CE2 4.31Å; V143-F145 HydrophobicContact CG1-CD2 3.96Å; V143-F145 HydrophobicContact CG1-CE1 4.35Å; V143-F145 HydrophobicContact CG1-CE2 3.58Å; V143-F145 HydrophobicContact CG1-CZ 3.82Å
144	H	91.6	Very high	90.9	Very high	35 Å²	35	54.1 Å²	54.1	16%	0.162	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	104.3	175.5	-173.5	-8.8	0	0	0	108	V98 G99 N100 I125 L126 S127	V98-H144 PolarHBondContact O-CE1 3.05Å; G99-H144 WeakPolarHBondContact O-CA 3.21Å; N100-H144 PolarHBondContact ND2-CE1 3.16Å; N100-H144 PolarHBondContact ND2-ND1 2.91Å; N100-H144 PolarHBondContact ND2-NE2 2.7Å; I125-H144 CarbonylContact C-O 3.54Å; L126-H144 PolarHBondContact N-O 2.81Å; S127-H144 PolarHBondContact N-O 3.22Å; S127-H144 PolarHBondContact O-N 2.81Å
145	F	92.5	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	155.2	169.9	-68.4	-81.2	0	0	0	111.1	G99 V101 F119 F122 G123 N124 I125 V143 T147 A150 A151 A154	G99-F145 PolarHBondContact O-N 3.08Å; V101-F145 HydrophobicContact CG2-CD2 3.9Å; V101-F145 HydrophobicContact CG2-CE2 3.93Å; F119-F145 HydrophobicContact CB-CZ 4.08Å; F119-F145 HydrophobicContact CD1-CZ 4.17Å; F119-F145 WeakPolarHBondContact O-CE1 3.33Å; F122-F145 HydrophobicContact CB-CE1 4.07Å; F122-F145 HydrophobicContact CB-CZ 4.05Å; G123-F145 WeakPolarHBondContact O-CD1 3.28Å; G123-F145 WeakPolarHBondContact O-CE1 3.4Å; N124-F145 WeakPolarHBondContact O-CA 3.21Å; I125-F145 HydrophobicContact CD1-CE1 4.22Å; I125-F145 HydrophobicContact CG1-CD1 3.86Å; I125-F145 HydrophobicContact CG1-CE1 3.63Å; I125-F145 HydrophobicContact CG1-CZ 4.33Å; V143-F145 HydrophobicContact CB-CE2 4.31Å; V143-F145 HydrophobicContact CG1-CD2 3.96Å; V143-F145 HydrophobicContact CG1-CE1 4.35Å; V143-F145 HydrophobicContact CG1-CE2 3.58Å; V143-F145 HydrophobicContact CG1-CZ 3.82Å; F145-T147 VanDerWaalsContact C-N 3.34Å; F145-A150 HydrophobicContact CB-CB 3.84Å; F145-A150 HydrophobicContact CD1-CB 3.69Å; F145-A150 HydrophobicContact CE1-CB 4.4Å; F145-A150 HydrophobicContact CG-CB 3.82Å; F145-A151 HydrophobicContact CB-CB 4.41Å; F145-A151 HydrophobicContact CD2-CB 3.85Å; F145-A151 HydrophobicContact CG-CB 4.49Å; F145-A154 HydrophobicContact CE2-CB 3.66Å; F145-A154 HydrophobicContact CZ-CB 3.76Å
146	E	88.9	Confident	92.4	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	23%	0.228	S	C	.	.	S	Bend	trans	-66.3	-34.9	173.8	-177.6	172.8	-150.7	0	0	112.7	N124 L126	N124-E146 HydrophobicContact CB-CB 4.16Å; N124-E146 WeakPolarHBondContact CB-OE2 3.38Å; N124-E146 PolarHBondContact ND2-OE2 3.25Å; N124-E146 PolarHBondContact O-N 2.94Å; L126-E146 HydrophobicContact CD1-CB 4.3Å; L126-E146 HydrophobicContact CD2-CB 4.04Å; L126-E146 HydrophobicContact CD2-CG 4.29Å; L126-E146 HydrophobicContact CG-CB 3.96Å
147	T	90.9	Very high	92.8	Very high	60 Å²	60	50.5 Å²	50.5	37%	0.368	24%	0.242	S	C	.	.	S	Bend	trans	-116.3	150.9	-178.7	54.3	0	0	0	0	111.5	F145 D149 A150 A151	F145-T147 VanDerWaalsContact C-N 3.34Å; T147-D149 VanDerWaalsContact C-N 3.31Å; T147-A150 VanDerWaalsContact OG1-CB 3.29Å; T147-A150 WeakPolarHBondContact OG1-CB 3.49Å; T147-A150 PolarHBondContact OG1-N 2.93Å; T147-A151 PolarHBondContact O-N 3.01Å
148	Q	91	Very high	93.1	Very high	78 Å²	78	50.9 Å²	50.9	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-40.9	172.7	-156.6	-165.9	-84.9	0	0	110.8	V98 A150 A151 D152	V98-Q148 HydrophobicContact CG1-CB 3.89Å; V98-Q148 HydrophobicContact CG1-CG 4.32Å; Q148-A150 VanDerWaalsContact C-N 3.26Å; Q148-A150 PolarHBondContact O-N 3.05Å; Q148-A151 CarbonylContact O-C 3.49Å; Q148-A151 WeakPolarHBondContact O-CA 3.42Å; Q148-A151 VanDerWaalsContact O-CB 3.31Å; Q148-A151 WeakPolarHBondContact O-CB 3.15Å; Q148-A151 PolarHBondContact O-N 3.12Å; Q148-D152 WeakPolarHBondContact CG-OD2 3.29Å; Q148-D152 PolarHBondContact NE2-OD2 3.49Å; Q148-D152 PolarHBondContact O-N 2.83Å
149	D	94.3	Very high	93.2	Very high	103 Å²	103	50 Å²	50	55%	0.551	24%	0.243	S	C	*	.	H	α-helix	trans	-61.5	-33.5	-177	-45.6	-5.6	0	0	0	112.3	T147 R153	T147-D149 VanDerWaalsContact C-N 3.31Å; D149-R153 VanDerWaalsContact CB-NH1 3.31Å; D149-R153 VanDerWaalsContact O-CB 3.28Å; D149-R153 WeakPolarHBondContact O-CB 3.31Å; D149-R153 WeakPolarHBondContact O-CG 3.22Å; D149-R153 PolarHBondContact O-N 3.02Å; D149-R153 PolarHBondContact O-NH1 3.08Å
150	A	95	Very high	93.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.1	-39.7	172.7	0	0	0	0	0	112.2	F122 F145 T147 Q148 A154	F122-A150 WeakPolarHBondContact O-CB 3.5Å; F145-A150 HydrophobicContact CB-CB 3.84Å; F145-A150 HydrophobicContact CD1-CB 3.69Å; F145-A150 HydrophobicContact CE1-CB 4.4Å; F145-A150 HydrophobicContact CG-CB 3.82Å; T147-A150 VanDerWaalsContact OG1-CB 3.29Å; T147-A150 WeakPolarHBondContact OG1-CB 3.49Å; T147-A150 PolarHBondContact OG1-N 2.93Å; Q148-A150 VanDerWaalsContact C-N 3.26Å; Q148-A150 PolarHBondContact O-N 3.05Å; A150-A154 VanDerWaalsContact O-CB 3.29Å; A150-A154 WeakPolarHBondContact O-CB 3.41Å; A150-A154 PolarHBondContact O-N 2.95Å
151	A	94.2	Very high	93.1	Very high	4 Å²	4	52 Å²	52	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-44.9	174.1	0	0	0	0	0	112.4	V101 F145 T147 Q148 A154 I155	V101-A151 HydrophobicContact CG2-CB 3.43Å; V101-A151 VanDerWaalsContact CG2-CB 3.43Å; F145-A151 HydrophobicContact CB-CB 4.41Å; F145-A151 HydrophobicContact CD2-CB 3.85Å; F145-A151 HydrophobicContact CG-CB 4.49Å; T147-A151 PolarHBondContact O-N 3.01Å; Q148-A151 CarbonylContact O-C 3.49Å; Q148-A151 WeakPolarHBondContact O-CA 3.42Å; Q148-A151 VanDerWaalsContact O-CB 3.31Å; Q148-A151 WeakPolarHBondContact O-CB 3.15Å; Q148-A151 PolarHBondContact O-N 3.12Å; A151-A154 PolarHBondContact O-N 3.23Å; A151-I155 WeakPolarHBondContact O-CD1 3.37Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.5Å; A151-I155 PolarHBondContact O-N 3.42Å
152	D	94.5	Very high	92.8	Very high	32 Å²	32	57.5 Å²	57.5	17%	0.171	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-43.9	178.3	-67.6	-38.6	0	0	0	110.9	Q148 A154 I155 D156 R172	Q148-D152 WeakPolarHBondContact CG-OD2 3.29Å; Q148-D152 PolarHBondContact NE2-OD2 3.49Å; Q148-D152 PolarHBondContact O-N 2.83Å; D152-A154 VanDerWaalsContact C-N 3.29Å; D152-A154 PolarHBondContact O-N 3.29Å; D152-I155 WeakPolarHBondContact O-CB 3.5Å; D152-I155 PolarHBondContact O-N 3.29Å; D152-I155 VanDerWaalsContact O-N 3.11Å; D152-D156 PolarHBondContact O-N 3.01Å; D152-R172 IonicContact OD1-CZ 3.63Å; D152-R172 VanDerWaalsContact OD1-CZ 3.24Å; D152-R172 IonicContact OD1-NE 3.35Å; D152-R172 PolarHBondContact OD1-NE 3.13Å; D152-R172 IonicContact OD1-NH2 3.03Å; D152-R172 PolarHBondContact OD1-NH2 2.93Å; D152-R172 IonicContact OD2-CZ 3.89Å; D152-R172 IonicContact OD2-NH2 2.74Å; D152-R172 PolarHBondContact OD2-NH2 2.71Å
153	R	95.4	Very high	92.6	Very high	112 Å²	112	56 Å²	56	42%	0.423	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-38.3	171.1	-76.3	-173.7	-53.8	-95.8	5.6	113.4	F122 D149 K157	F122-R153 PolarHBondContact O-NE 3.45Å; F122-R153 PolarHBondContact O-NH2 3.28Å; D149-R153 VanDerWaalsContact CB-NH1 3.31Å; D149-R153 VanDerWaalsContact O-CB 3.28Å; D149-R153 WeakPolarHBondContact O-CB 3.31Å; D149-R153 WeakPolarHBondContact O-CG 3.22Å; D149-R153 PolarHBondContact O-N 3.02Å; D149-R153 PolarHBondContact O-NH1 3.08Å; R153-K157 WeakPolarHBondContact O-CB 3.49Å; R153-K157 PolarHBondContact O-N 3.39Å
154	A	95.1	Very high	92.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-37.4	176.9	0	0	0	0	0	111.7	F119 F122 F145 A150 A151 D152 M158	F119-A154 HydrophobicContact CD1-CB 4.16Å; F119-A154 HydrophobicContact CE1-CB 4.37Å; F122-A154 HydrophobicContact CB-CB 3.85Å; F122-A154 HydrophobicContact CD1-CB 4.41Å; F122-A154 HydrophobicContact CD2-CB 3.84Å; F122-A154 HydrophobicContact CG-CB 3.74Å; F145-A154 HydrophobicContact CE2-CB 3.66Å; F145-A154 HydrophobicContact CZ-CB 3.76Å; A150-A154 VanDerWaalsContact O-CB 3.29Å; A150-A154 WeakPolarHBondContact O-CB 3.41Å; A150-A154 PolarHBondContact O-N 2.95Å; A151-A154 PolarHBondContact O-N 3.23Å; D152-A154 VanDerWaalsContact C-N 3.29Å; D152-A154 PolarHBondContact O-N 3.29Å; A154-M158 WeakPolarHBondContact O-CB 3.43Å; A154-M158 WeakPolarHBondContact O-CG 3.34Å; A154-M158 PolarHBondContact O-N 2.93Å
155	I	94.8	Very high	92	Very high	20 Å²	20	66.4 Å²	66.4	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-55.5	174	-69.7	161.9	0	0	0	110	V101 A151 D152 K157 M158 N159 V170 R172	V101-I155 HydrophobicContact CG1-CG1 4.13Å; V101-I155 HydrophobicContact CG2-CD1 4.29Å; V101-I155 HydrophobicContact CG2-CG1 4.31Å; A151-I155 WeakPolarHBondContact O-CD1 3.37Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.5Å; A151-I155 PolarHBondContact O-N 3.42Å; D152-I155 WeakPolarHBondContact O-CB 3.5Å; D152-I155 PolarHBondContact O-N 3.29Å; D152-I155 VanDerWaalsContact O-N 3.11Å; I155-K157 VanDerWaalsContact C-N 3.26Å; I155-K157 PolarHBondContact O-N 3.17Å; I155-M158 PolarHBondContact O-N 2.99Å; I155-N159 WeakPolarHBondContact O-CB 3.26Å; I155-N159 PolarHBondContact O-N 3.47Å; I155-V170 HydrophobicContact CG1-CG1 4.03Å; I155-R172 HydrophobicContact CD1-CB 4.4Å; I155-R172 HydrophobicContact CD1-CG 3.57Å
156	D	94.5	Very high	91.8	Very high	133 Å²	133	71 Å²	71	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-34.1	-173.9	-66.8	-20.3	0	0	0	112.9	D152	D152-D156 PolarHBondContact O-N 3.01Å
157	K	93.4	Very high	92	Very high	143 Å²	143	72.7 Å²	72.7	62%	0.622	36%	0.363	S	S	*	.	H	α-helix	trans	-88	-41.6	179.6	-70.1	-174.5	171.8	-172.2	0	114	F122 R153 I155 M161	F122-K157 HydrophobicContact CD1-CD 4.39Å; F122-K157 HydrophobicContact CE1-CB 3.89Å; F122-K157 HydrophobicContact CE1-CD 3.85Å; F122-K157 HydrophobicContact CE1-CG 4.46Å; F122-K157 HydrophobicContact CZ-CB 4.48Å; R153-K157 WeakPolarHBondContact O-CB 3.49Å; R153-K157 PolarHBondContact O-N 3.39Å; I155-K157 VanDerWaalsContact C-N 3.26Å; I155-K157 PolarHBondContact O-N 3.17Å; K157-M161 VanDerWaalsContact O-CG 3.28Å; K157-M161 WeakPolarHBondContact O-CG 3.29Å
158	M	93.1	Very high	92.1	Very high	15 Å²	15	69.9 Å²	69.9	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-94.2	-17.4	-171.4	-58.7	-63.1	-76	0	0	113.9	T118 F119 F122 A154 I155 G160 M161 L163 V170	T118-M158 HydrophobicContact CG2-CE 3.93Å; F119-M158 HydrophobicContact CE1-CB 4.12Å; F119-M158 HydrophobicContact CE1-CG 3.92Å; F119-M158 HydrophobicContact CE2-CE 4.48Å; F119-M158 HydrophobicContact CZ-CB 4.16Å; F119-M158 HydrophobicContact CZ-CE 4.25Å; F119-M158 HydrophobicContact CZ-CG 4.14Å; F122-M158 HydrophobicContact CD2-CG 4.47Å; F122-M158 HydrophobicContact CE1-CG 4.32Å; F122-M158 HydrophobicContact CE2-CG 3.53Å; F122-M158 HydrophobicContact CE2-SD 3.85Å; F122-M158 HydrophobicContact CZ-CG 3.45Å; F122-M158 VanDerWaalsContact CZ-CG 3.45Å; F122-M158 HydrophobicContact CZ-SD 3.46Å; F122-M158 WeakPolarHBondContact CZ-SD 3.36Å; A154-M158 WeakPolarHBondContact O-CB 3.43Å; A154-M158 WeakPolarHBondContact O-CG 3.34Å; A154-M158 PolarHBondContact O-N 2.93Å; I155-M158 PolarHBondContact O-N 2.99Å; M158-G160 PolarHBondContact O-N 3.45Å; M158-M161 PolarHBondContact O-N 2.93Å; M158-M161 VanDerWaalsContact O-N 3.09Å; M158-M161 HydrophobicContact SD-SD 3.95Å; M158-L163 HydrophobicContact CE-CD1 3.56Å; M158-V170 HydrophobicContact CB-CB 4.44Å; M158-V170 HydrophobicContact CB-CG2 3.83Å
159	N	93.5	Very high	92.2	Very high	75 Å²	75	71.2 Å²	71.2	40%	0.401	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	108.6	-178.3	-174	29.8	0	0	0	111.3	I155 F169 V170	I155-N159 WeakPolarHBondContact O-CB 3.26Å; I155-N159 PolarHBondContact O-N 3.47Å; N159-F169 WeakPolarHBondContact OD1-CA 3.25Å; N159-F169 WeakPolarHBondContact OD1-CD2 3.38Å; N159-V170 HydrophobicContact CB-CB 4.03Å; N159-V170 VanDerWaalsContact CB-O 3.32Å; N159-V170 WeakPolarHBondContact CB-O 3.46Å; N159-V170 PolarHBondContact OD1-N 3.3Å; N159-V170 PolarHBondContact OD1-O 3Å
160	G	89.3	Confident	92.2	Very high	27 Å²	27	66.3 Å²	66.3	28%	0.278	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	5.3	-177.3	0	0	0	0	0	115.2	M158 K167 V168	M158-G160 PolarHBondContact O-N 3.45Å; G160-K167 VanDerWaalsContact CA-CE 3.47Å; G160-K167 WeakPolarHBondContact O-CE 3.2Å; G160-K167 WeakPolarHBondContact O-CG 3.35Å; G160-V168 WeakPolarHBondContact CA-O 3.42Å; G160-V168 PolarHBondContact N-O 3Å
161	M	91.2	Very high	92.1	Very high	100 Å²	100	66.8 Å²	66.8	49%	0.493	33%	0.329	S	S	.	.			trans	-74.9	163.2	167.8	-70.3	-158.4	77.4	0	0	112.1	K157 M158 K167 V168	K157-M161 VanDerWaalsContact O-CG 3.28Å; K157-M161 WeakPolarHBondContact O-CG 3.29Å; M158-M161 PolarHBondContact O-N 2.93Å; M158-M161 VanDerWaalsContact O-N 3.09Å; M158-M161 HydrophobicContact SD-SD 3.95Å; M161-K167 CarbonylContact O-C 3.55Å; M161-K167 VanDerWaalsContact O-CA 3.32Å; M161-K167 WeakPolarHBondContact O-CA 3.44Å; M161-V168 WeakPolarHBondContact O-CG2 3.13Å; M161-V168 PolarHBondContact O-N 3.03Å
162	L	89.3	Confident	91.9	Very high	115 Å²	115	73.3 Å²	73.3	60%	0.602	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.5	175.1	-65.2	169.2	0	0	0	110.3	R166 K167	L162-R166 CarbonylContact C-O 3.57Å; L162-R166 WeakPolarHBondContact CA-O 3.38Å; L162-K167 HydrophobicContact CD2-CB 4.14Å
163	L	87.9	Confident	91.6	Very high	23 Å²	23	75.6 Å²	75.6	12%	0.12	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.9	169	-110.4	64.5	0	0	0	107.4	L106 I110 T118 F119 M158 D165 R166 V168	L106-L163 HydrophobicContact CD1-CD2 4.05Å; I110-L163 HydrophobicContact CD1-CB 4.1Å; I110-L163 HydrophobicContact CD1-CD2 4.17Å; I110-L163 HydrophobicContact CD1-CG 4.42Å; T118-L163 HydrophobicContact CG2-CD2 4.36Å; F119-L163 HydrophobicContact CE2-CD2 4.45Å; M158-L163 HydrophobicContact CE-CD1 3.56Å; L163-D165 VanDerWaalsContact C-N 3.32Å; L163-D165 PolarHBondContact O-N 2.87Å; L163-R166 PolarHBondContact N-O 3.44Å; L163-R166 PolarHBondContact O-N 3.38Å; L163-V168 HydrophobicContact CB-CG1 3.9Å; L163-V168 HydrophobicContact CD2-CG1 4.39Å
164	N	87.3	Confident	91	Very high	98 Å²	98	74.2 Å²	74.2	52%	0.524	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	57.6	-172.6	-62.1	5.9	0	0	0	111.3	D107 S109 I110 R166	D107-N164 HydrophobicContact CB-CB 3.93Å; S109-N164 PolarHBondContact OG-ND2 3.24Å; I110-N164 HydrophobicContact CD1-CB 4.5Å; N164-R166 PolarHBondContact O-N 3.26Å
165	D	86.1	Confident	90.2	Very high	154 Å²	154	76.4 Å²	76.4	82%	0.824	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	4.7	-177.2	-55.3	-44	0	0	0	116.9	L163	L163-D165 VanDerWaalsContact C-N 3.32Å; L163-D165 PolarHBondContact O-N 2.87Å
166	R	88.7	Confident	89.5	Confident	98 Å²	98	83.9 Å²	83.9	37%	0.37	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.5	172.6	-61	-160.1	-163.1	-127.5	-1.9	112.3	N105 D107 L162 L163 N164 V168	N105-R166 WeakPolarHBondContact O-CB 3.34Å; D107-R166 HydrophobicContact CB-CG 4.15Å; D107-R166 IonicContact OD2-CZ 2.92Å; D107-R166 IonicContact OD2-NE 2.65Å; D107-R166 PolarHBondContact OD2-NE 3.13Å; D107-R166 IonicContact OD2-NH2 2.63Å; D107-R166 PolarHBondContact OD2-NH2 3.32Å; L162-R166 CarbonylContact C-O 3.57Å; L162-R166 WeakPolarHBondContact CA-O 3.38Å; L163-R166 PolarHBondContact N-O 3.44Å; L163-R166 PolarHBondContact O-N 3.38Å; N164-R166 PolarHBondContact O-N 3.26Å; R166-V168 PolarHBondContact O-N 3.24Å
167	K	91.7	Very high	88.7	Confident	136 Å²	136	85.9 Å²	85.9	59%	0.591	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	100.6	169	-174.5	158.5	-177.8	160.2	0	109.7	N105 G160 M161 L162	N105-K167 PolarHBondContact ND2-O 2.71Å; G160-K167 VanDerWaalsContact CA-CE 3.47Å; G160-K167 WeakPolarHBondContact O-CE 3.2Å; G160-K167 WeakPolarHBondContact O-CG 3.35Å; M161-K167 CarbonylContact O-C 3.55Å; M161-K167 VanDerWaalsContact O-CA 3.32Å; M161-K167 WeakPolarHBondContact O-CA 3.44Å; L162-K167 HydrophobicContact CD2-CB 4.14Å
168	V	93.4	Very high	88.1	Confident	1 Å²	1	83 Å²	83	1%	0.006	39%	0.392	C	S	.	.			trans	-75.7	140.2	178.8	-71.3	0	0	0	0	110.5	I103 L106 G160 M161 L163 R166 V170	I103-V168 HydrophobicContact CG2-CB 4.48Å; L106-V168 HydrophobicContact CD1-CG1 4.08Å; G160-V168 WeakPolarHBondContact CA-O 3.42Å; G160-V168 PolarHBondContact N-O 3Å; M161-V168 WeakPolarHBondContact O-CG2 3.13Å; M161-V168 PolarHBondContact O-N 3.03Å; L163-V168 HydrophobicContact CB-CG1 3.9Å; L163-V168 HydrophobicContact CD2-CG1 4.39Å; R166-V168 PolarHBondContact O-N 3.24Å; V168-V170 HydrophobicContact CB-CG2 4.5Å; V168-V170 HydrophobicContact CG2-CG2 4.19Å
169	F	94.2	Very high	87.4	Confident	106 Å²	106	87 Å²	87	47%	0.465	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.8	167.2	172	-89.8	0	0	0	108.4	I103 K104 N159	I103-F169 CarbonylContact C-O 3.46Å; I103-F169 WeakPolarHBondContact CA-O 3.33Å; K104-F169 HydrophobicContact CB-CB 4.33Å; K104-F169 HydrophobicContact CB-CD1 4.24Å; K104-F169 PolarHBondContact N-O 3.32Å; K104-F169 PolarHBondContact O-N 3Å; N159-F169 WeakPolarHBondContact OD1-CA 3.25Å; N159-F169 WeakPolarHBondContact OD1-CD2 3.38Å
170	V	94.2	Very high	86.5	Confident	0 Å²	0	88.1 Å²	88.1	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.1	-178.7	-172.7	0	0	0	0	108	V101 I103 F119 I155 M158 N159 V168	V101-V170 HydrophobicContact CG1-CG1 3.38Å; I103-V170 HydrophobicContact CG1-CG1 4.22Å; I103-V170 HydrophobicContact CG1-CG2 4.29Å; I103-V170 HydrophobicContact CG2-CG2 4.41Å; F119-V170 HydrophobicContact CE1-CG1 4.31Å; F119-V170 HydrophobicContact CZ-CG2 4.34Å; I155-V170 HydrophobicContact CG1-CG1 4.03Å; M158-V170 HydrophobicContact CB-CB 4.44Å; M158-V170 HydrophobicContact CB-CG2 3.83Å; N159-V170 HydrophobicContact CB-CB 4.03Å; N159-V170 VanDerWaalsContact CB-O 3.32Å; N159-V170 WeakPolarHBondContact CB-O 3.46Å; N159-V170 PolarHBondContact OD1-N 3.3Å; N159-V170 PolarHBondContact OD1-O 3Å; V168-V170 HydrophobicContact CB-CG2 4.5Å; V168-V170 HydrophobicContact CG2-CG2 4.19Å
171	G	92.7	Very high	85.7	Confident	10 Å²	10	89.9 Å²	89.9	10%	0.103	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	169.5	-176.7	0	0	0	0	0	112.7	F102	F102-G171 PolarHBondContact N-O 3.44Å; F102-G171 PolarHBondContact O-N 3.19Å
172	R	90.8	Very high	84.8	Confident	142 Å²	142	88.3 Å²	88.3	54%	0.536	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	138.7	178.1	-66.7	-173.6	171.4	-164.5	-2.3	111.1	D152 I155 K174	D152-R172 IonicContact OD1-CZ 3.63Å; D152-R172 VanDerWaalsContact OD1-CZ 3.24Å; D152-R172 IonicContact OD1-NE 3.35Å; D152-R172 PolarHBondContact OD1-NE 3.13Å; D152-R172 IonicContact OD1-NH2 3.03Å; D152-R172 PolarHBondContact OD1-NH2 2.93Å; D152-R172 IonicContact OD2-CZ 3.89Å; D152-R172 IonicContact OD2-NH2 2.74Å; D152-R172 PolarHBondContact OD2-NH2 2.71Å; I155-R172 HydrophobicContact CD1-CB 4.4Å; I155-R172 HydrophobicContact CD1-CG 3.57Å; R172-K174 PolarHBondContact O-N 3.48Å
173	F	86.7	Confident	83.6	Confident	79 Å²	79	88.5 Å²	88.5	35%	0.346	41%	0.414	S	S	.	.			trans	-66.2	115.2	179.2	171.2	-99.6	0	0	0	111.2	N100 F102 F142	N100-F173 HydrophobicContact CB-CB 3.68Å; N100-F173 HydrophobicContact CB-CD1 4.37Å; N100-F173 HydrophobicContact CB-CG 4.25Å; N100-F173 WeakPolarHBondContact O-CB 3.37Å; N100-F173 PolarHBondContact O-N 3.41Å; F102-F173 HydrophobicContact CB-CB 4.48Å; F102-F173 HydrophobicContact CB-CD2 4.5Å; F142-F173 AromaticContact CD1-CD2 3.59Å; F142-F173 HydrophobicContact CD1-CD2 3.59Å; F142-F173 AromaticContact CD1-CE2 3.84Å; F142-F173 HydrophobicContact CD1-CE2 3.84Å; F142-F173 AromaticContact CE1-CD2 3.56Å; F142-F173 HydrophobicContact CE1-CD2 3.56Å; F142-F173 AromaticContact CE1-CE2 3.49Å; F142-F173 HydrophobicContact CE1-CE2 3.49Å; F142-F173 VanDerWaalsContact CE1-CE2 3.49Å; F142-F173 HydrophobicContact CZ-CE2 4.21Å
174	K	83	Confident	82.4	Confident	83 Å²	83	89 Å²	89	36%	0.361	42%	0.424	S	S	.	.			trans	-98.4	131	169.4	-65	-161.1	169.5	-168.1	0	111.5	R172 E178 R179 E182	R172-K174 PolarHBondContact O-N 3.48Å; K174-E178 VanDerWaalsContact CA-OE2 3.32Å; K174-E178 WeakPolarHBondContact CA-OE2 3.48Å; K174-E178 HydrophobicContact CB-CG 4.42Å; K174-E178 HydrophobicContact CD-CG 4.43Å; K174-E178 VanDerWaalsContact CD-OE1 3.23Å; K174-E178 WeakPolarHBondContact CD-OE1 3.43Å; K174-E178 WeakPolarHBondContact CE-OE1 3.3Å; K174-E178 VanDerWaalsContact CG-OE1 3.22Å; K174-E178 WeakPolarHBondContact CG-OE1 3.49Å; K174-R179 HydrophobicContact CB-CG 3.55Å; K174-R179 HydrophobicContact CD-CG 4.5Å; K174-R179 PolarHBondContact O-NE 3.25Å; K174-E182 IonicContact NZ-OE2 3.09Å; K174-E182 PolarHBondContact NZ-OE2 2.89Å
175	S	78.9	Confident	81.2	Confident	47 Å²	47	86.5 Å²	86.5	33%	0.329	42%	0.417	S	S	.	.			trans	-62.8	159.4	-179.1	75	0	0	0	0	111.6	K177 E178 R179	S175-K177 PolarHBondContact O-N 3.17Å; S175-E178 PolarHBondContact N-OE2 2.89Å; S175-E178 PolarHBondContact O-N 3.41Å; S175-E178 WeakPolarHBondContact OG-CB 3.25Å; S175-E178 PolarHBondContact OG-N 3.43Å; S175-E178 PolarHBondContact OG-OE2 3.38Å; S175-R179 PolarHBondContact O-N 2.83Å
176	R	78.9	Confident	80	Confident	176 Å²	176	84.4 Å²	84.4	66%	0.664	40%	0.401	S	S	*	.	H	α-helix	trans	-57.8	-48.6	178.9	179.8	178.9	170.9	167.1	3.3	111.5	E178 R179 E180	R176-E178 VanDerWaalsContact C-N 3.32Å; R176-E178 PolarHBondContact O-N 2.81Å; R176-R179 PolarHBondContact O-N 2.92Å; R176-E180 HydrophobicContact CG-CG 4.43Å; R176-E180 IonicContact CZ-OE1 3.75Å; R176-E180 IonicContact NE-OE1 3.21Å; R176-E180 PolarHBondContact NE-OE1 2.83Å; R176-E180 IonicContact NE-OE2 2.71Å; R176-E180 IonicContact NH2-OE1 2.69Å; R176-E180 PolarHBondContact NH2-OE1 3.23Å; R176-E180 WeakPolarHBondContact O-CB 3.38Å; R176-E180 WeakPolarHBondContact O-CG 3.48Å; R176-E180 PolarHBondContact O-N 2.85Å
177	K	78.2	Confident	78.6	Confident	175 Å²	175	83.1 Å²	83.1	76%	0.761	41%	0.411	S	S	*	.	H	α-helix	trans	-60.3	-40.6	179.8	-176.4	-177.1	177.9	-174	0	112.2	S175 A181	S175-K177 PolarHBondContact O-N 3.17Å; K177-A181 WeakPolarHBondContact O-CB 3.43Å; K177-A181 PolarHBondContact O-N 2.81Å
178	E	80.6	Confident	77.4	Confident	82 Å²	82	83.9 Å²	83.9	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-67	-45.1	177.1	179.3	-165.9	168.7	0	0	111.9	K174 S175 R176 E180 A181 E182	K174-E178 VanDerWaalsContact CA-OE2 3.32Å; K174-E178 WeakPolarHBondContact CA-OE2 3.48Å; K174-E178 HydrophobicContact CB-CG 4.42Å; K174-E178 HydrophobicContact CD-CG 4.43Å; K174-E178 VanDerWaalsContact CD-OE1 3.23Å; K174-E178 WeakPolarHBondContact CD-OE1 3.43Å; K174-E178 WeakPolarHBondContact CE-OE1 3.3Å; K174-E178 VanDerWaalsContact CG-OE1 3.22Å; K174-E178 WeakPolarHBondContact CG-OE1 3.49Å; S175-E178 PolarHBondContact N-OE2 2.89Å; S175-E178 PolarHBondContact O-N 3.41Å; S175-E178 WeakPolarHBondContact OG-CB 3.25Å; S175-E178 PolarHBondContact OG-N 3.43Å; S175-E178 PolarHBondContact OG-OE2 3.38Å; R176-E178 VanDerWaalsContact C-N 3.32Å; R176-E178 PolarHBondContact O-N 2.81Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-E180 PolarHBondContact O-N 2.81Å; E178-A181 PolarHBondContact O-N 3.49Å; E178-E182 WeakPolarHBondContact O-CB 3.23Å; E178-E182 PolarHBondContact O-N 2.82Å
179	R	78	Confident	76.6	Confident	99 Å²	99	88.5 Å²	88.5	37%	0.374	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-38.5	175.2	-72.4	-173.6	-75.9	121.7	-6.8	112.4	K174 S175 R176 A181 E182 L183	K174-R179 HydrophobicContact CB-CG 3.55Å; K174-R179 HydrophobicContact CD-CG 4.5Å; K174-R179 PolarHBondContact O-NE 3.25Å; S175-R179 PolarHBondContact O-N 2.83Å; R176-R179 PolarHBondContact O-N 2.92Å; R179-A181 VanDerWaalsContact C-N 3.34Å; R179-E182 PolarHBondContact O-N 3.33Å; R179-L183 VanDerWaalsContact O-CB 3.28Å; R179-L183 WeakPolarHBondContact O-CB 3.38Å; R179-L183 WeakPolarHBondContact O-CD1 3.36Å; R179-L183 VanDerWaalsContact O-CG 3.29Å; R179-L183 WeakPolarHBondContact O-CG 3.43Å; R179-L183 PolarHBondContact O-N 3.33Å
180	E	75.3	Confident	76	Confident	99 Å²	99	85.1 Å²	85.1	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-67	-34.8	174	-73.5	169.9	159.1	0	0	111.7	R176 E178 G184	R176-E180 HydrophobicContact CG-CG 4.43Å; R176-E180 IonicContact CZ-OE1 3.75Å; R176-E180 IonicContact NE-OE1 3.21Å; R176-E180 PolarHBondContact NE-OE1 2.83Å; R176-E180 IonicContact NE-OE2 2.71Å; R176-E180 IonicContact NH2-OE1 2.69Å; R176-E180 PolarHBondContact NH2-OE1 3.23Å; R176-E180 WeakPolarHBondContact O-CB 3.38Å; R176-E180 WeakPolarHBondContact O-CG 3.48Å; R176-E180 PolarHBondContact O-N 2.85Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-E180 PolarHBondContact O-N 2.81Å; E180-G184 WeakPolarHBondContact O-CA 3.24Å; E180-G184 PolarHBondContact O-N 2.98Å
181	A	72.9	Confident	75.8	Confident	64 Å²	64	87.6 Å²	87.6	53%	0.529	44%	0.436	S	S	.	.	H	α-helix	trans	-70.2	-43	172.8	0	0	0	0	0	112.7	K177 E178 R179 G184 A185	K177-A181 WeakPolarHBondContact O-CB 3.43Å; K177-A181 PolarHBondContact O-N 2.81Å; E178-A181 PolarHBondContact O-N 3.49Å; R179-A181 VanDerWaalsContact C-N 3.34Å; A181-G184 CarbonylContact O-C 3.5Å; A181-G184 PolarHBondContact O-N 3.3Å; A181-A185 WeakPolarHBondContact O-CB 3.34Å; A181-A185 PolarHBondContact O-N 2.66Å
182	E	71.3	Confident	75.7	Confident	67 Å²	67	90.7 Å²	90.7	31%	0.313	45%	0.451	S	S	.	.	H	α-helix	trans	-66.6	-44.2	177.9	-168.1	-169.9	149.5	0	0	111.5	K174 E178 R179 G184 A185 K186	K174-E182 IonicContact NZ-OE2 3.09Å; K174-E182 PolarHBondContact NZ-OE2 2.89Å; E178-E182 WeakPolarHBondContact O-CB 3.23Å; E178-E182 PolarHBondContact O-N 2.82Å; R179-E182 PolarHBondContact O-N 3.33Å; E182-G184 VanDerWaalsContact C-N 3.32Å; E182-A185 PolarHBondContact O-N 3.11Å; E182-K186 HydrophobicContact CG-CD 4.34Å; E182-K186 WeakPolarHBondContact O-CB 3.45Å; E182-K186 PolarHBondContact O-N 2.87Å; E182-K186 IonicContact OE1-NZ 3.69Å; E182-K186 PolarHBondContact OE1-NZ 3.35Å
183	L	65.1	Low	75.8	Confident	120 Å²	120	84 Å²	84	63%	0.628	43%	0.425	S	S	*	.	H	α-helix	trans	-65.1	-36.9	172.7	-73.3	165.4	0	0	0	111.5	R179 A185 K186 A187	R179-L183 VanDerWaalsContact O-CB 3.28Å; R179-L183 WeakPolarHBondContact O-CB 3.38Å; R179-L183 WeakPolarHBondContact O-CD1 3.36Å; R179-L183 VanDerWaalsContact O-CG 3.29Å; R179-L183 WeakPolarHBondContact O-CG 3.43Å; R179-L183 PolarHBondContact O-N 3.33Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.82Å; L183-K186 PolarHBondContact O-N 3.03Å; L183-A187 VanDerWaalsContact O-CB 3.29Å; L183-A187 WeakPolarHBondContact O-CB 3.33Å; L183-A187 PolarHBondContact O-N 2.64Å
184	G	62.6	Low	76.1	Confident	32 Å²	32	81.5 Å²	81.5	33%	0.33	41%	0.414	S	S	.	.	H	α-helix	trans	-69.5	-23.3	174.5	0	0	0	0	0	114.3	E180 A181 E182 K188	E180-G184 WeakPolarHBondContact O-CA 3.24Å; E180-G184 PolarHBondContact O-N 2.98Å; A181-G184 CarbonylContact O-C 3.5Å; A181-G184 PolarHBondContact O-N 3.3Å; E182-G184 VanDerWaalsContact C-N 3.32Å; G184-K188 WeakPolarHBondContact O-CG 3.23Å
185	A	62.4	Low	76.6	Confident	47 Å²	47	77.6 Å²	77.6	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-77.4	-50.7	168.4	0	0	0	0	0	110.4	A181 E182 L183 A187 K188 E189	A181-A185 WeakPolarHBondContact O-CB 3.34Å; A181-A185 PolarHBondContact O-N 2.66Å; E182-A185 PolarHBondContact O-N 3.11Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.82Å; A185-A187 PolarHBondContact O-N 3.46Å; A185-A187 VanDerWaalsContact O-N 3.17Å; A185-K188 WeakPolarHBondContact O-CA 3.45Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 2.88Å; A185-E189 PolarHBondContact O-N 2.82Å; A185-E189 VanDerWaalsContact O-N 3.09Å
186	K	60.8	Low	77.2	Confident	110 Å²	110	80.1 Å²	80.1	48%	0.478	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-22.7	177.5	-76.1	169.7	176.5	173.5	0	114.5	E182 L183 E189	E182-K186 HydrophobicContact CG-CD 4.34Å; E182-K186 WeakPolarHBondContact O-CB 3.45Å; E182-K186 PolarHBondContact O-N 2.87Å; E182-K186 IonicContact OE1-NZ 3.69Å; E182-K186 PolarHBondContact OE1-NZ 3.35Å; L183-K186 PolarHBondContact O-N 3.03Å; K186-E189 WeakPolarHBondContact CG-OE1 3.36Å
187	A	59.9	Low	77.7	Confident	71 Å²	71	74.7 Å²	74.7	59%	0.587	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.2	171	0	0	0	0	0	114.2	L183 A185 R265	L183-A187 VanDerWaalsContact O-CB 3.29Å; L183-A187 WeakPolarHBondContact O-CB 3.33Å; L183-A187 PolarHBondContact O-N 2.64Å; A185-A187 PolarHBondContact O-N 3.46Å; A185-A187 VanDerWaalsContact O-N 3.17Å; A187-R265 PolarHBondContact O-NH1 3.15Å
188	K	65.2	Low	78.1	Confident	152 Å²	152	66.4 Å²	66.4	66%	0.661	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-34.8	170.2	-68.8	170.7	-176.5	-178.6	0	111.5	G184 A185 F190 R265	G184-K188 WeakPolarHBondContact O-CG 3.23Å; A185-K188 WeakPolarHBondContact O-CA 3.45Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 2.88Å; K188-F190 PolarHBondContact O-N 2.99Å; K188-R265 PolarHBondContact O-NH1 2.92Å; K188-R265 VanDerWaalsContact O-NH1 3.16Å
189	E	76.8	Confident	78.2	Confident	97 Å²	97	62.8 Å²	62.8	45%	0.453	33%	0.334	S	S	.	.			trans	-45.1	125.4	172.8	-66.8	172.1	-153.4	0	0	110.3	A185 K186 H241	A185-E189 PolarHBondContact O-N 2.82Å; A185-E189 VanDerWaalsContact O-N 3.09Å; K186-E189 WeakPolarHBondContact CG-OE1 3.36Å; E189-H241 HydrophobicContact CB-CB 4.23Å; E189-H241 HydrophobicContact CG-CB 4.44Å
190	F	82.4	Confident	78.4	Confident	35 Å²	35	61.6 Å²	61.6	15%	0.154	34%	0.336	C	S	.	.			trans	-136	133	177.7	68.1	-89.7	0	0	0	109.5	K188 N192 V193 H241 A244 N245 V248 R265	K188-F190 PolarHBondContact O-N 2.99Å; F190-N192 WeakPolarHBondContact CD2-O 3.21Å; F190-V193 HydrophobicContact CE2-CG2 4.24Å; F190-H241 AromaticContact CD1-CE1 3.57Å; F190-H241 AromaticContact CD1-ND1 3.94Å; F190-H241 AromaticContact CE1-CE1 3.67Å; F190-H241 PolarHBondContact N-CE1 2.95Å; F190-H241 PolarHBondContact N-ND1 2.57Å; F190-H241 PolarHBondContact O-ND1 2.62Å; F190-A244 HydrophobicContact CD2-CB 4.2Å; F190-A244 HydrophobicContact CE2-CB 4.07Å; F190-A244 VanDerWaalsContact O-CB 3.31Å; F190-A244 WeakPolarHBondContact O-CB 3.33Å; F190-N245 WeakPolarHBondContact CE1-OD1 3.45Å; F190-N245 WeakPolarHBondContact CZ-OD1 3.43Å; F190-V248 HydrophobicContact CE2-CG2 3.96Å; F190-V248 HydrophobicContact CZ-CG2 4.07Å; F190-R265 HydrophobicContact CB-CG 3.91Å; F190-R265 HydrophobicContact CD1-CB 3.93Å; F190-R265 HydrophobicContact CD1-CG 4Å; F190-R265 HydrophobicContact CD2-CB 3.88Å; F190-R265 HydrophobicContact CD2-CG 4.09Å; F190-R265 HydrophobicContact CE1-CB 4.04Å; F190-R265 HydrophobicContact CE2-CB 4Å; F190-R265 HydrophobicContact CG-CB 3.86Å; F190-R265 HydrophobicContact CG-CG 3.72Å; F190-R265 HydrophobicContact CZ-CB 4.09Å
191	T	88.5	Confident	78.6	Confident	53 Å²	53	61.2 Å²	61.2	33%	0.325	34%	0.337	S	S	.	.			trans	-97.1	-18.8	170.3	45	0	0	0	0	112.3	F238	T191-F238 VanDerWaalsContact CB-O 3.23Å; T191-F238 WeakPolarHBondContact CB-O 3.39Å; T191-F238 WeakPolarHBondContact CG2-O 3.37Å; T191-F238 PolarHBondContact O-N 2.83Å
192	N	91.1	Very high	79.1	Confident	75 Å²	75	59.5 Å²	59.5	40%	0.401	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.3	-174.3	-64.1	-14.8	0	0	0	110.9	F190 V236 S237 A266	F190-N192 WeakPolarHBondContact CD2-O 3.21Å; N192-V236 CarbonylContact C-O 3.57Å; N192-V236 WeakPolarHBondContact CA-O 3.4Å; N192-S237 VanDerWaalsContact OD1-CB 3.25Å; N192-S237 WeakPolarHBondContact OD1-CB 3.22Å; N192-S237 PolarHBondContact OD1-OG 3.49Å; N192-A266 HydrophobicContact CB-CB 3.84Å; N192-A266 WeakPolarHBondContact O-CB 3.44Å; N192-A266 PolarHBondContact O-N 3.4Å
193	V	93.8	Very high	79.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.8	177.5	-177.8	0	0	0	0	109.2	F190 I195 F235 V236 F238 A244 V248 V263 G264	F190-V193 HydrophobicContact CE2-CG2 4.24Å; V193-I195 HydrophobicContact CB-CD1 4.42Å; V193-I195 HydrophobicContact CG1-CD1 4.1Å; V193-I195 HydrophobicContact CG1-CG1 4.14Å; V193-F235 VanDerWaalsContact O-CA 3.27Å; V193-F235 WeakPolarHBondContact O-CA 3.49Å; V193-V236 PolarHBondContact N-O 3.27Å; V193-V236 PolarHBondContact O-N 2.82Å; V193-F238 HydrophobicContact CB-CE2 4.49Å; V193-F238 HydrophobicContact CG2-CD2 3.98Å; V193-F238 HydrophobicContact CG2-CE2 3.82Å; V193-A244 HydrophobicContact CG2-CB 3.82Å; V193-V248 HydrophobicContact CG1-CG2 3.92Å; V193-V248 HydrophobicContact CG2-CG2 4.11Å; V193-V263 HydrophobicContact CG1-CG1 3.33Å; V193-G264 CarbonylContact C-O 3.44Å; V193-G264 WeakPolarHBondContact CA-O 3.1Å
194	Y	93	Very high	81.1	Confident	28 Å²	28	56.1 Å²	56.1	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.4	170.4	167.3	-103.5	0	0	0	108.6	K196 F233 F235 F262 V263 G264	Y194-K196 HydrophobicContact CE1-CB 3.82Å; Y194-K196 HydrophobicContact CE1-CG 4.37Å; Y194-K196 WeakPolarHBondContact OH-CG 3.32Å; Y194-F233 HydrophobicContact CD2-CD2 4.34Å; Y194-F233 HydrophobicContact CE2-CB 4.06Å; Y194-F233 AromaticContact CE2-CD2 3.53Å; Y194-F233 HydrophobicContact CE2-CD2 3.53Å; Y194-F233 HydrophobicContact CE2-CE2 4.23Å; Y194-F233 HydrophobicContact CE2-CG 4.07Å; Y194-F235 HydrophobicContact CD2-CD1 4.07Å; Y194-F235 AromaticContact CD2-CE1 3.55Å; Y194-F235 HydrophobicContact CD2-CE1 3.55Å; Y194-F235 AromaticContact CD2-CZ 3.89Å; Y194-F235 HydrophobicContact CD2-CZ 3.89Å; Y194-F235 HydrophobicContact CE2-CE1 4.42Å; Y194-F235 HydrophobicContact CE2-CZ 4.35Å; Y194-F235 HydrophobicContact CG-CE1 4.29Å; Y194-F262 HydrophobicContact CD1-CD1 4.12Å; Y194-F262 HydrophobicContact CD1-CE1 4.01Å; Y194-F262 HydrophobicContact CE1-CD1 4.1Å; Y194-F262 HydrophobicContact CE1-CE1 4.23Å; Y194-V263 WeakPolarHBondContact O-CA 3.49Å; Y194-G264 PolarHBondContact N-O 3.46Å; Y194-G264 PolarHBondContact O-N 2.78Å
195	I	92.6	Very high	82.4	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133	-175.8	-44.5	81	0	0	0	107	V193 F198 L207 F211 F233 G234 V236 V261 F262 V263	V193-I195 HydrophobicContact CB-CD1 4.42Å; V193-I195 HydrophobicContact CG1-CD1 4.1Å; V193-I195 HydrophobicContact CG1-CG1 4.14Å; I195-F198 HydrophobicContact CB-CD1 4.09Å; I195-F198 HydrophobicContact CB-CE1 4.09Å; I195-F198 HydrophobicContact CG2-CD1 3.63Å; I195-F198 HydrophobicContact CG2-CE1 4.15Å; I195-L207 HydrophobicContact CG1-CD1 4.46Å; I195-L207 HydrophobicContact CG2-CD1 4.36Å; I195-F211 HydrophobicContact CG1-CE1 4.2Å; I195-F211 HydrophobicContact CG1-CE2 4.06Å; I195-F211 HydrophobicContact CG1-CZ 3.75Å; I195-F211 HydrophobicContact CG2-CE2 4.07Å; I195-F211 HydrophobicContact CG2-CZ 3.89Å; I195-F233 CarbonylContact O-C 3.55Å; I195-F233 WeakPolarHBondContact O-CA 3.29Å; I195-F233 WeakPolarHBondContact O-CB 3.31Å; I195-G234 PolarHBondContact N-O 3.23Å; I195-G234 PolarHBondContact O-N 3.48Å; I195-V236 HydrophobicContact CD1-CB 3.92Å; I195-V236 HydrophobicContact CD1-CG2 3.58Å; I195-V261 HydrophobicContact CG2-CG1 3.7Å; I195-F262 CarbonylContact C-O 3.56Å; I195-F262 WeakPolarHBondContact CA-O 3.28Å; I195-V263 HydrophobicContact CG1-CG1 4.34Å; I195-V263 HydrophobicContact CG2-CG2 3.98Å
196	K	91.7	Very high	83.7	Confident	99 Å²	99	65.6 Å²	65.6	43%	0.43	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.4	-176.1	-164.7	-136.2	174.8	-158.1	0	111	Y194 G232 F233 V261 F262	Y194-K196 HydrophobicContact CE1-CB 3.82Å; Y194-K196 HydrophobicContact CE1-CG 4.37Å; Y194-K196 WeakPolarHBondContact OH-CG 3.32Å; K196-G232 CarbonylContact C-O 3.48Å; K196-G232 WeakPolarHBondContact CA-O 3.2Å; K196-F233 HydrophobicContact CB-CB 4.08Å; K196-F233 HydrophobicContact CG-CB 3.8Å; K196-V261 WeakPolarHBondContact O-CA 3.33Å; K196-V261 WeakPolarHBondContact O-CG1 3.38Å; K196-F262 HydrophobicContact CB-CB 4.4Å; K196-F262 PolarHBondContact N-O 2.82Å; K196-F262 PolarHBondContact O-N 2.8Å
197	N	89.5	Confident	85.1	Confident	62 Å²	62	60.4 Å²	60.4	33%	0.332	30%	0.303	S	S	.	.			trans	70.4	23.9	175.4	-154.1	49.6	0	0	0	114.8	G199 G232 K259 T260	N197-G199 PolarHBondContact O-N 3.3Å; N197-G232 PolarHBondContact N-O 3.24Å; N197-K259 WeakPolarHBondContact O-CB 3.3Å; N197-T260 WeakPolarHBondContact CB-O 3.49Å; N197-T260 PolarHBondContact ND2-O 2.81Å
198	F	87.2	Confident	86.6	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	29%	0.291	C	S	.	.	S	Bend	trans	-79.9	5.9	175.8	52.2	-122.5	0	0	0	114.6	I195 M202 L207 V222 F233 V261	I195-F198 HydrophobicContact CB-CD1 4.09Å; I195-F198 HydrophobicContact CB-CE1 4.09Å; I195-F198 HydrophobicContact CG2-CD1 3.63Å; I195-F198 HydrophobicContact CG2-CE1 4.15Å; F198-M202 HydrophobicContact CB-CG 4.19Å; F198-M202 HydrophobicContact CD2-CB 3.41Å; F198-M202 VanDerWaalsContact CD2-CB 3.41Å; F198-M202 HydrophobicContact CD2-CG 3.68Å; F198-M202 HydrophobicContact CE2-CB 3.63Å; F198-M202 HydrophobicContact CE2-CG 4.4Å; F198-M202 HydrophobicContact CG-CB 4.28Å; F198-M202 HydrophobicContact CG-CG 4.21Å; F198-M202 WeakPolarHBondContact O-CG 3.32Å; F198-L207 HydrophobicContact CD1-CD1 4.33Å; F198-L207 HydrophobicContact CE1-CD1 4.27Å; F198-L207 HydrophobicContact CE1-CD2 4.2Å; F198-L207 HydrophobicContact CZ-CD2 4.45Å; F198-V222 HydrophobicContact CE2-CG1 4.42Å; F198-V222 HydrophobicContact CE2-CG2 4.49Å; F198-V222 HydrophobicContact CZ-CG1 4.24Å; F198-V222 HydrophobicContact CZ-CG2 4.04Å; F198-F233 VanDerWaalsContact CZ-CA 3.46Å; F198-V261 HydrophobicContact CB-CG1 4.44Å; F198-V261 HydrophobicContact CB-CG2 4.31Å
199	G	82.9	Confident	87.9	Confident	5 Å²	5	60.2 Å²	60.2	5%	0.052	29%	0.291	C	S	.	.			trans	88.1	-177.5	-174.6	0	0	0	0	0	114.6	N197 G232	N197-G199 PolarHBondContact O-N 3.3Å; G199-G232 WeakPolarHBondContact O-CA 3.03Å
200	D	81.3	Confident	88.5	Confident	75 Å²	75	57.6 Å²	57.6	40%	0.401	28%	0.28	S	S	.	.	S	Bend	trans	-102.5	-13.7	-175.6	35.6	-40.6	0	0	0	113.2	M202 K229 S230 K259	D200-M202 PolarHBondContact O-N 3.41Å; D200-K229 IonicContact OD2-NZ 3.9Å; D200-S230 WeakPolarHBondContact O-CB 3.41Å; D200-K259 IonicContact OD1-NZ 2.73Å; D200-K259 PolarHBondContact OD1-NZ 3Å
201	D	79.9	Confident	89	Confident	90 Å²	90	56 Å²	56	48%	0.481	27%	0.272	S	S	.	.	S	Bend	trans	-80.5	7.3	174.8	-38.5	-76.1	0	0	0	114.1	R206 N257	D201-R206 PolarHBondContact O-NH1 2.8Å; D201-N257 PolarHBondContact OD2-ND2 2.99Å
202	M	84.2	Confident	89.2	Confident	29 Å²	29	57.5 Å²	57.5	14%	0.143	28%	0.276	C	S	.	.			trans	-104.8	123.4	-178.1	-68.5	-71	109.9	0	0	110.6	F198 D200 R206 S230	F198-M202 HydrophobicContact CB-CG 4.19Å; F198-M202 HydrophobicContact CD2-CB 3.41Å; F198-M202 VanDerWaalsContact CD2-CB 3.41Å; F198-M202 HydrophobicContact CD2-CG 3.68Å; F198-M202 HydrophobicContact CE2-CB 3.63Å; F198-M202 HydrophobicContact CE2-CG 4.4Å; F198-M202 HydrophobicContact CG-CB 4.28Å; F198-M202 HydrophobicContact CG-CG 4.21Å; F198-M202 WeakPolarHBondContact O-CG 3.32Å; D200-M202 PolarHBondContact O-N 3.41Å; M202-R206 HydrophobicContact CE-CB 4.4Å; M202-R206 HydrophobicContact SD-CB 4.08Å; M202-S230 PolarHBondContact O-OG 3Å
203	D	87.9	Confident	89.3	Confident	63 Å²	63	60 Å²	60	34%	0.337	28%	0.283	S	S	.	.			trans	-109.4	-178.2	178.8	50.3	49.1	0	0	0	111.1	E205 R206 L207 V222	D203-E205 PolarHBondContact O-N 3.16Å; D203-E205 PolarHBondContact OD1-N 3.42Å; D203-R206 WeakPolarHBondContact OD1-CB 3.28Å; D203-R206 VanDerWaalsContact OD1-CG 3.3Å; D203-R206 WeakPolarHBondContact OD1-CG 3.45Å; D203-R206 PolarHBondContact OD1-N 3.17Å; D203-R206 WeakPolarHBondContact OD2-CD 3.47Å; D203-R206 IonicContact OD2-NE 3.61Å; D203-L207 WeakPolarHBondContact O-CB 3.47Å; D203-L207 PolarHBondContact O-N 3.36Å; D203-L207 VanDerWaalsContact O-N 3.16Å; D203-V222 VanDerWaalsContact C-CG2 3.49Å; D203-V222 WeakPolarHBondContact O-CG2 3.29Å
204	D	89.8	Confident	89.2	Confident	53 Å²	53	61.1 Å²	61.1	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-30.9	179.9	-69.1	-19.3	0	0	0	112.7	K208 V220 K221 V222	D204-K208 WeakPolarHBondContact O-CB 3.3Å; D204-K208 PolarHBondContact O-N 3.06Å; D204-K208 VanDerWaalsContact O-N 3.11Å; D204-V220 WeakPolarHBondContact O-CG1 3.48Å; D204-K221 WeakPolarHBondContact OD1-CA 3.33Å; D204-K221 IonicContact OD1-NZ 2.62Å; D204-K221 IonicContact OD2-NZ 3Å; D204-K221 PolarHBondContact OD2-NZ 2.95Å; D204-V222 PolarHBondContact OD1-N 3.39Å
205	E	90.1	Very high	89.1	Confident	153 Å²	153	60.6 Å²	60.6	72%	0.715	29%	0.291	S	S	*	.	H	α-helix	trans	-81.3	-50.8	-172.3	-64	-178.4	169.9	0	0	110.6	D203 L207 K208 E209	D203-E205 PolarHBondContact O-N 3.16Å; D203-E205 PolarHBondContact OD1-N 3.42Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.34Å; E205-K208 WeakPolarHBondContact O-CA 3.49Å; E205-K208 WeakPolarHBondContact O-CB 3.23Å; E205-K208 PolarHBondContact O-N 2.9Å; E205-E209 PolarHBondContact O-N 3.14Å
206	R	88.5	Confident	89.1	Confident	125 Å²	125	66.6 Å²	66.6	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-38.9	173.4	-67.6	171.5	175.5	-175	-3.8	111.9	D201 M202 D203 K208 L210	D201-R206 PolarHBondContact O-NH1 2.8Å; M202-R206 HydrophobicContact CE-CB 4.4Å; M202-R206 HydrophobicContact SD-CB 4.08Å; D203-R206 WeakPolarHBondContact OD1-CB 3.28Å; D203-R206 VanDerWaalsContact OD1-CG 3.3Å; D203-R206 WeakPolarHBondContact OD1-CG 3.45Å; D203-R206 PolarHBondContact OD1-N 3.17Å; D203-R206 WeakPolarHBondContact OD2-CD 3.47Å; D203-R206 IonicContact OD2-NE 3.61Å; R206-K208 VanDerWaalsContact C-N 3.29Å; R206-K208 PolarHBondContact O-N 3.33Å; R206-L210 VanDerWaalsContact O-CB 3.23Å; R206-L210 WeakPolarHBondContact O-CB 3.5Å; R206-L210 PolarHBondContact O-N 2.99Å
207	L	90.1	Very high	89.1	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-29.6	175.4	-172.4	65.5	0	0	0	111.7	I195 F198 D203 E205 F211 V220 V222 V236	I195-L207 HydrophobicContact CG1-CD1 4.46Å; I195-L207 HydrophobicContact CG2-CD1 4.36Å; F198-L207 HydrophobicContact CD1-CD1 4.33Å; F198-L207 HydrophobicContact CE1-CD1 4.27Å; F198-L207 HydrophobicContact CE1-CD2 4.2Å; F198-L207 HydrophobicContact CZ-CD2 4.45Å; D203-L207 WeakPolarHBondContact O-CB 3.47Å; D203-L207 PolarHBondContact O-N 3.36Å; D203-L207 VanDerWaalsContact O-N 3.16Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.34Å; L207-F211 HydrophobicContact CD1-CD2 3.71Å; L207-F211 HydrophobicContact CD1-CE2 3.62Å; L207-F211 HydrophobicContact CG-CD2 4.41Å; L207-F211 WeakPolarHBondContact O-CD2 3.49Å; L207-F211 PolarHBondContact O-N 3.44Å; L207-V220 HydrophobicContact CB-CG1 3.94Å; L207-V220 HydrophobicContact CD2-CG1 3.87Å; L207-V220 HydrophobicContact CG-CG1 3.85Å; L207-V222 HydrophobicContact CB-CG2 4.2Å; L207-V222 HydrophobicContact CD2-CG2 3.68Å; L207-V236 HydrophobicContact CD2-CG2 4.4Å; L207-V236 HydrophobicContact CG-CG2 4.23Å
208	K	92.3	Very high	89.1	Confident	80 Å²	80	64.7 Å²	64.7	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-69.5	-55.5	172.1	-178.3	179.1	178.4	-74.2	0	110.9	D204 E205 R206 L210 F211 E212 V220	D204-K208 WeakPolarHBondContact O-CB 3.3Å; D204-K208 PolarHBondContact O-N 3.06Å; D204-K208 VanDerWaalsContact O-N 3.11Å; E205-K208 WeakPolarHBondContact O-CA 3.49Å; E205-K208 WeakPolarHBondContact O-CB 3.23Å; E205-K208 PolarHBondContact O-N 2.9Å; R206-K208 VanDerWaalsContact C-N 3.29Å; R206-K208 PolarHBondContact O-N 3.33Å; K208-L210 VanDerWaalsContact C-N 3.26Å; K208-L210 PolarHBondContact O-N 3.47Å; K208-F211 PolarHBondContact O-N 2.96Å; K208-E212 IonicContact NZ-OE1 2.76Å; K208-E212 PolarHBondContact NZ-OE1 3.43Å; K208-E212 IonicContact NZ-OE2 2.62Å; K208-E212 PolarHBondContact NZ-OE2 3.47Å; K208-E212 VanDerWaalsContact O-CB 3.29Å; K208-E212 WeakPolarHBondContact O-CB 3.49Å; K208-E212 PolarHBondContact O-N 2.83Å; K208-V220 HydrophobicContact CB-CB 4.27Å; K208-V220 HydrophobicContact CB-CG1 4.38Å; K208-V220 HydrophobicContact CB-CG2 3.89Å; K208-V220 HydrophobicContact CG-CG2 4.08Å
209	E	91.9	Very high	89.2	Confident	139 Å²	139	68 Å²	68	65%	0.65	34%	0.335	S	S	*	.	H	α-helix	trans	-52.4	-45.1	179.5	-68.5	178.9	158.5	0	0	112.1	E205 F211	E205-E209 PolarHBondContact O-N 3.14Å; E209-F211 VanDerWaalsContact C-N 3.29Å; E209-F211 PolarHBondContact O-N 3.15Å
210	L	90.4	Very high	89.7	Confident	42 Å²	42	68.9 Å²	68.9	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-28.8	-179.5	-179.8	62.4	0	0	0	113.9	R206 K208 K213 M251 L256	R206-L210 VanDerWaalsContact O-CB 3.23Å; R206-L210 WeakPolarHBondContact O-CB 3.5Å; R206-L210 PolarHBondContact O-N 2.99Å; K208-L210 VanDerWaalsContact C-N 3.26Å; K208-L210 PolarHBondContact O-N 3.47Å; L210-K213 WeakPolarHBondContact O-CD 3.37Å; L210-K213 WeakPolarHBondContact O-CE 3.36Å; L210-K213 WeakPolarHBondContact O-CG 3.26Å; L210-M251 HydrophobicContact CD1-CE 4.1Å; L210-M251 HydrophobicContact CD2-CE 3.98Å; L210-M251 HydrophobicContact CG-CE 4.16Å; L210-L256 HydrophobicContact CD2-CD1 3.59Å
211	F	91.7	Very high	90.2	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-106.4	-19.9	-176	-81.8	-92	0	0	0	114.4	I195 L207 K208 E209 K213 Y214 V236 F238 A247 M251 V263	I195-F211 HydrophobicContact CG1-CE1 4.2Å; I195-F211 HydrophobicContact CG1-CE2 4.06Å; I195-F211 HydrophobicContact CG1-CZ 3.75Å; I195-F211 HydrophobicContact CG2-CE2 4.07Å; I195-F211 HydrophobicContact CG2-CZ 3.89Å; L207-F211 HydrophobicContact CD1-CD2 3.71Å; L207-F211 HydrophobicContact CD1-CE2 3.62Å; L207-F211 HydrophobicContact CG-CD2 4.41Å; L207-F211 WeakPolarHBondContact O-CD2 3.49Å; L207-F211 PolarHBondContact O-N 3.44Å; K208-F211 PolarHBondContact O-N 2.96Å; E209-F211 VanDerWaalsContact C-N 3.29Å; E209-F211 PolarHBondContact O-N 3.15Å; F211-K213 PolarHBondContact O-N 2.99Å; F211-Y214 HydrophobicContact CD1-CD2 4.01Å; F211-Y214 HydrophobicContact CD1-CE2 4.4Å; F211-Y214 WeakPolarHBondContact O-CB 3.45Å; F211-Y214 PolarHBondContact O-N 2.69Å; F211-V236 HydrophobicContact CB-CG1 4.3Å; F211-V236 HydrophobicContact CB-CG2 4.17Å; F211-V236 HydrophobicContact CD2-CG2 4.43Å; F211-V236 HydrophobicContact CG-CG2 4.16Å; F211-F238 HydrophobicContact CB-CZ 4.2Å; F211-F238 HydrophobicContact CD1-CZ 4.19Å; F211-A247 HydrophobicContact CD1-CB 3.91Å; F211-A247 HydrophobicContact CE1-CB 4.09Å; F211-M251 HydrophobicContact CE1-CB 4.23Å; F211-M251 HydrophobicContact CE1-CG 3.93Å; F211-M251 HydrophobicContact CZ-CB 4.09Å; F211-M251 HydrophobicContact CZ-CE 4.43Å; F211-M251 HydrophobicContact CZ-CG 3.92Å; F211-V263 HydrophobicContact CE1-CG1 4.13Å; F211-V263 HydrophobicContact CZ-CG1 4.36Å; F211-V263 HydrophobicContact CZ-CG2 4.31Å
212	E	93.1	Very high	90.8	Very high	85 Å²	85	66.5 Å²	66.5	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-24.8	176.5	-171.3	159.6	-139.7	0	0	112.4	K208 Y214 G215	K208-E212 IonicContact NZ-OE1 2.76Å; K208-E212 PolarHBondContact NZ-OE1 3.43Å; K208-E212 IonicContact NZ-OE2 2.62Å; K208-E212 PolarHBondContact NZ-OE2 3.47Å; K208-E212 VanDerWaalsContact O-CB 3.29Å; K208-E212 WeakPolarHBondContact O-CB 3.49Å; K208-E212 PolarHBondContact O-N 2.83Å; E212-Y214 PolarHBondContact O-N 2.98Å; E212-G215 PolarHBondContact O-N 3.42Å; E212-G215 VanDerWaalsContact O-N 3.14Å
213	K	92.6	Very high	91.1	Very high	128 Å²	128	68.3 Å²	68.3	56%	0.557	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	170.1	76.6	-173.2	-172.5	-178.6	0	114.3	L210 F211	L210-K213 WeakPolarHBondContact O-CD 3.37Å; L210-K213 WeakPolarHBondContact O-CE 3.36Å; L210-K213 WeakPolarHBondContact O-CG 3.26Å; F211-K213 PolarHBondContact O-N 2.99Å
214	Y	92.1	Very high	91.1	Very high	24 Å²	24	67.4 Å²	67.4	9%	0.094	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-17.5	177.3	-67.1	-63.1	0	0	0	113.7	F211 E212 D243 K246 A247 E250 M251	F211-Y214 HydrophobicContact CD1-CD2 4.01Å; F211-Y214 HydrophobicContact CD1-CE2 4.4Å; F211-Y214 WeakPolarHBondContact O-CB 3.45Å; F211-Y214 PolarHBondContact O-N 2.69Å; E212-Y214 PolarHBondContact O-N 2.98Å; Y214-D243 WeakPolarHBondContact O-CB 3.43Å; Y214-K246 HydrophobicContact CD1-CB 4.25Å; Y214-A247 HydrophobicContact CD2-CB 3.87Å; Y214-A247 HydrophobicContact CG-CB 3.93Å; Y214-E250 HydrophobicContact CE1-CB 3.77Å; Y214-E250 HydrophobicContact CE1-CG 4.2Å; Y214-E250 WeakPolarHBondContact CE1-OE2 3.28Å; Y214-M251 HydrophobicContact CD2-CG 4.46Å; Y214-M251 HydrophobicContact CE2-CG 3.37Å; Y214-M251 HydrophobicContact CE2-SD 3.94Å; Y214-M251 WeakPolarHBondContact OH-CG 3.22Å; Y214-M251 PolarHBondContact OH-SD 2.81Å
215	G	90.9	Very high	90.9	Very high	17 Å²	17	68.1 Å²	68.1	18%	0.175	34%	0.336	C	S	.	.	S	Bend	trans	150.2	172.9	-176.8	0	0	0	0	0	112.1	E212 T217 F238	E212-G215 PolarHBondContact O-N 3.42Å; E212-G215 VanDerWaalsContact O-N 3.14Å; G215-T217 PolarHBondContact O-N 2.87Å; G215-F238 WeakPolarHBondContact O-CE1 3.4Å
216	K	92.3	Very high	90.5	Very high	126 Å²	126	67.3 Å²	67.3	55%	0.548	35%	0.347	S	S	.	.			trans	-70.8	116.3	-170.6	-176.6	174.3	163.5	-148.2	0	111.3	E239	K216-E239 VanDerWaalsContact CD-OE2 3.27Å; K216-E239 WeakPolarHBondContact CD-OE2 3.49Å; K216-E239 WeakPolarHBondContact CE-OE2 3.28Å; K216-E239 IonicContact NZ-OE2 3.58Å; K216-E239 PolarHBondContact NZ-OE2 3.26Å; K216-E239 PolarHBondContact O-N 3.22Å
217	T	91.7	Very high	90	Very high	15 Å²	15	65.9 Å²	65.9	9%	0.092	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.3	176.6	59.7	0	0	0	0	111.1	G215 V220 V236 S237 F238	G215-T217 PolarHBondContact O-N 2.87Å; T217-V220 HydrophobicContact CG2-CG2 4.31Å; T217-V236 HydrophobicContact CG2-CG1 3.53Å; T217-S237 CarbonylContact C-O 3.53Å; T217-S237 WeakPolarHBondContact CA-O 3.15Å; T217-F238 HydrophobicContact CG2-CD1 4.12Å; T217-F238 HydrophobicContact CG2-CE1 3.81Å; T217-F238 HydrophobicContact CG2-CZ 4.26Å
218	L	90.1	Very high	89.4	Confident	107 Å²	107	68.5 Å²	68.5	56%	0.56	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	-30.3	174.3	-63.4	179.2	0	0	0	112.9	S237 E239	L218-S237 PolarHBondContact N-O 2.65Å; L218-E239 HydrophobicContact CD1-CB 4.42Å; L218-E239 HydrophobicContact CD2-CB 4.18Å; L218-E239 HydrophobicContact CD2-CG 4.37Å; L218-E239 HydrophobicContact CG-CB 4.19Å
219	S	89.9	Confident	88.9	Confident	72 Å²	72	70.4 Å²	70.4	50%	0.503	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	137.9	-179.5	-176	0	0	0	0	110.1	V236 S237	S219-V236 CarbonylContact O-C 3.56Å; S219-V236 WeakPolarHBondContact O-CA 3.48Å; S219-S237 PolarHBondContact N-O 2.92Å; S219-S237 PolarHBondContact O-N 3.3Å
220	V	93.3	Very high	88.6	Confident	22 Å²	22	64.7 Å²	64.7	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.9	174.2	-178.1	0	0	0	0	107.7	D204 L207 K208 T217 F235 V236	D204-V220 WeakPolarHBondContact O-CG1 3.48Å; L207-V220 HydrophobicContact CB-CG1 3.94Å; L207-V220 HydrophobicContact CD2-CG1 3.87Å; L207-V220 HydrophobicContact CG-CG1 3.85Å; K208-V220 HydrophobicContact CB-CB 4.27Å; K208-V220 HydrophobicContact CB-CG1 4.38Å; K208-V220 HydrophobicContact CB-CG2 3.89Å; K208-V220 HydrophobicContact CG-CG2 4.08Å; T217-V220 HydrophobicContact CG2-CG2 4.31Å; V220-F235 CarbonylContact C-O 3.54Å; V220-F235 WeakPolarHBondContact CA-O 3.31Å; V220-V236 HydrophobicContact CG1-CG2 4.01Å; V220-V236 HydrophobicContact CG2-CG1 4.29Å; V220-V236 HydrophobicContact CG2-CG2 4.1Å
221	K	92.6	Very high	88.4	Confident	105 Å²	105	69.7 Å²	69.7	46%	0.457	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	113.8	176.8	-165.7	69.7	-150.9	160.3	0	113.3	D204 G234 F235	D204-K221 WeakPolarHBondContact OD1-CA 3.33Å; D204-K221 IonicContact OD1-NZ 2.62Å; D204-K221 IonicContact OD2-NZ 3Å; D204-K221 PolarHBondContact OD2-NZ 2.95Å; K221-G234 CarbonylContact O-C 3.6Å; K221-G234 WeakPolarHBondContact O-CA 3.47Å; K221-F235 PolarHBondContact N-O 3.23Å; K221-F235 PolarHBondContact O-N 3.45Å
222	V	92.1	Very high	88.1	Confident	10 Å²	10	70.3 Å²	70.3	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.4	163	175.5	0	0	0	0	109.5	F198 D203 D204 L207 S230	F198-V222 HydrophobicContact CE2-CG1 4.42Å; F198-V222 HydrophobicContact CE2-CG2 4.49Å; F198-V222 HydrophobicContact CZ-CG1 4.24Å; F198-V222 HydrophobicContact CZ-CG2 4.04Å; D203-V222 VanDerWaalsContact C-CG2 3.49Å; D203-V222 WeakPolarHBondContact O-CG2 3.29Å; D204-V222 PolarHBondContact OD1-N 3.39Å; L207-V222 HydrophobicContact CB-CG2 4.2Å; L207-V222 HydrophobicContact CD2-CG2 3.68Å; V222-S230 VanDerWaalsContact CG1-OG 3.23Å; V222-S230 WeakPolarHBondContact CG1-OG 3.21Å
223	M	90	Very high	88	Confident	67 Å²	67	68.2 Å²	68.2	33%	0.33	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.6	177.2	-67.1	-60.1	-56.9	0	0	110.2	R231 F233 F235	M223-R231 WeakPolarHBondContact O-CB 3.38Å; M223-R231 VanDerWaalsContact O-CG 3.24Å; M223-R231 WeakPolarHBondContact O-CG 3.16Å; M223-R231 PolarHBondContact O-N 3.29Å; M223-F233 HydrophobicContact CB-CD2 4.02Å; M223-F233 HydrophobicContact CB-CE1 4.14Å; M223-F233 HydrophobicContact CB-CE2 3.62Å; M223-F233 HydrophobicContact CB-CG 4.49Å; M223-F233 HydrophobicContact CB-CZ 3.68Å; M223-F233 HydrophobicContact CG-CD2 3.94Å; M223-F233 HydrophobicContact CG-CE2 3.44Å; M223-F233 VanDerWaalsContact CG-CE2 3.44Å; M223-F233 HydrophobicContact CG-CZ 3.94Å; M223-F233 PolarHBondContact N-O 2.91Å; M223-F235 HydrophobicContact CG-CD2 4.23Å; M223-F235 HydrophobicContact CG-CE2 3.88Å; M223-F235 HydrophobicContact SD-CE2 4.34Å
224	A	88.7	Confident	88	Confident	45 Å²	45	62.1 Å²	62.1	37%	0.372	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	166.4	169.5	0	0	0	0	0	112.6	K229 R231	A224-K229 CarbonylContact C-O 3.56Å; A224-K229 VanDerWaalsContact CA-O 3.24Å; A224-K229 WeakPolarHBondContact CA-O 3.38Å; A224-R231 VanDerWaalsContact C-CD 3.45Å; A224-R231 WeakPolarHBondContact O-CD 3.42Å
225	D	85.1	Confident	88.1	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.364	36%	0.364	S	S	.	.			trans	-92.2	-173.9	164.8	75.2	9.2	0	0	0	112.2	S227 G228 K229 R231	D225-S227 PolarHBondContact O-N 3.09Å; D225-S227 WeakPolarHBondContact OD1-CA 3.48Å; D225-S227 WeakPolarHBondContact OD1-CB 3.43Å; D225-S227 PolarHBondContact OD1-N 3.04Å; D225-S227 PolarHBondContact OD1-OG 2.98Å; D225-S227 PolarHBondContact OD2-OG 3.01Å; D225-G228 PolarHBondContact O-N 3.29Å; D225-G228 VanDerWaalsContact O-N 3.1Å; D225-G228 PolarHBondContact OD1-N 3.27Å; D225-K229 PolarHBondContact N-O 2.8Å; D225-K229 PolarHBondContact OD1-N 2.92Å; D225-R231 HydrophobicContact CB-CG 3.94Å
226	S	81.1	Confident	88.3	Confident	136 Å²	136	63.9 Å²	63.9	95%	0.951	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.8	179.7	50.2	0	0	0	0	114.8
227	S	79	Confident	88.3	Confident	94 Å²	94	59 Å²	59	66%	0.657	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.5	171.1	74.7	0	0	0	0	113	D225 K229	D225-S227 PolarHBondContact O-N 3.09Å; D225-S227 WeakPolarHBondContact OD1-CA 3.48Å; D225-S227 WeakPolarHBondContact OD1-CB 3.43Å; D225-S227 PolarHBondContact OD1-N 3.04Å; D225-S227 PolarHBondContact OD1-OG 2.98Å; D225-S227 PolarHBondContact OD2-OG 3.01Å; S227-K229 VanDerWaalsContact C-N 3.3Å
228	G	77.2	Confident	88.4	Confident	57 Å²	57	58.3 Å²	58.3	59%	0.588	33%	0.334	S	S	*	.	S	Bend	trans	83.9	-4	-174.6	0	0	0	0	0	114.3	D225	D225-G228 PolarHBondContact O-N 3.29Å; D225-G228 VanDerWaalsContact O-N 3.1Å; D225-G228 PolarHBondContact OD1-N 3.27Å
229	K	80.6	Confident	88.3	Confident	120 Å²	120	57.7 Å²	57.7	52%	0.522	33%	0.328	S	S	.	.			trans	-73.1	136.4	178.1	178.4	166.1	-75.6	-143.6	0	111	D200 A224 D225 S227 R231	D200-K229 IonicContact OD2-NZ 3.9Å; A224-K229 CarbonylContact C-O 3.56Å; A224-K229 VanDerWaalsContact CA-O 3.24Å; A224-K229 WeakPolarHBondContact CA-O 3.38Å; D225-K229 PolarHBondContact N-O 2.8Å; D225-K229 PolarHBondContact OD1-N 2.92Å; S227-K229 VanDerWaalsContact C-N 3.3Å; K229-R231 PolarHBondContact O-N 3.22Å
230	S	85.6	Confident	88.3	Confident	19 Å²	19	59.7 Å²	59.7	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	130.9	175.1	179.9	0	0	0	0	111.5	D200 M202 V222 G232	D200-S230 WeakPolarHBondContact O-CB 3.41Å; M202-S230 PolarHBondContact O-OG 3Å; V222-S230 VanDerWaalsContact CG1-OG 3.23Å; V222-S230 WeakPolarHBondContact CG1-OG 3.21Å; S230-G232 PolarHBondContact O-N 3.25Å; S230-G232 PolarHBondContact OG-N 3.2Å
231	R	86.4	Confident	88.1	Confident	147 Å²	147	60.9 Å²	60.9	56%	0.555	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	13.2	177.3	-59.3	168.8	66.7	175	5.6	112.6	M223 A224 D225 K229 F233	M223-R231 WeakPolarHBondContact O-CB 3.38Å; M223-R231 VanDerWaalsContact O-CG 3.24Å; M223-R231 WeakPolarHBondContact O-CG 3.16Å; M223-R231 PolarHBondContact O-N 3.29Å; A224-R231 VanDerWaalsContact C-CD 3.45Å; A224-R231 WeakPolarHBondContact O-CD 3.42Å; D225-R231 HydrophobicContact CB-CG 3.94Å; K229-R231 PolarHBondContact O-N 3.22Å; R231-F233 VanDerWaalsContact C-N 3.25Å; R231-F233 HydrophobicContact CB-CD1 3.82Å; R231-F233 HydrophobicContact CB-CE1 3.74Å; R231-F233 PolarHBondContact O-N 2.87Å
232	G	85.9	Confident	88	Confident	12 Å²	12	61.9 Å²	61.9	12%	0.124	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.4	29.1	-177.4	0	0	0	0	0	113.7	K196 N197 G199 S230	K196-G232 CarbonylContact C-O 3.48Å; K196-G232 WeakPolarHBondContact CA-O 3.2Å; N197-G232 PolarHBondContact N-O 3.24Å; G199-G232 WeakPolarHBondContact O-CA 3.03Å; S230-G232 PolarHBondContact O-N 3.25Å; S230-G232 PolarHBondContact OG-N 3.2Å
233	F	91.4	Very high	88.1	Confident	41 Å²	41	62.2 Å²	62.2	18%	0.18	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.6	170.1	77.9	-92	0	0	0	112.4	Y194 I195 K196 F198 M223 R231 F235	Y194-F233 HydrophobicContact CD2-CD2 4.34Å; Y194-F233 HydrophobicContact CE2-CB 4.06Å; Y194-F233 AromaticContact CE2-CD2 3.53Å; Y194-F233 HydrophobicContact CE2-CD2 3.53Å; Y194-F233 HydrophobicContact CE2-CE2 4.23Å; Y194-F233 HydrophobicContact CE2-CG 4.07Å; I195-F233 CarbonylContact O-C 3.55Å; I195-F233 WeakPolarHBondContact O-CA 3.29Å; I195-F233 WeakPolarHBondContact O-CB 3.31Å; K196-F233 HydrophobicContact CB-CB 4.08Å; K196-F233 HydrophobicContact CG-CB 3.8Å; F198-F233 VanDerWaalsContact CZ-CA 3.46Å; M223-F233 HydrophobicContact CB-CD2 4.02Å; M223-F233 HydrophobicContact CB-CE1 4.14Å; M223-F233 HydrophobicContact CB-CE2 3.62Å; M223-F233 HydrophobicContact CB-CG 4.49Å; M223-F233 HydrophobicContact CB-CZ 3.68Å; M223-F233 HydrophobicContact CG-CD2 3.94Å; M223-F233 HydrophobicContact CG-CE2 3.44Å; M223-F233 VanDerWaalsContact CG-CE2 3.44Å; M223-F233 HydrophobicContact CG-CZ 3.94Å; M223-F233 PolarHBondContact N-O 2.91Å; R231-F233 VanDerWaalsContact C-N 3.25Å; R231-F233 HydrophobicContact CB-CD1 3.82Å; R231-F233 HydrophobicContact CB-CE1 3.74Å; R231-F233 PolarHBondContact O-N 2.87Å; F233-F235 HydrophobicContact CD2-CE2 4.36Å; F233-F235 HydrophobicContact CE2-CE2 4.11Å; F233-F235 HydrophobicContact CE2-CZ 4.39Å
234	G	92.6	Very high	88.1	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	-177.5	-177.9	0	0	0	0	0	112.4	I195 K221	I195-G234 PolarHBondContact N-O 3.23Å; I195-G234 PolarHBondContact O-N 3.48Å; K221-G234 CarbonylContact O-C 3.6Å; K221-G234 WeakPolarHBondContact O-CA 3.47Å
235	F	94.1	Very high	88.3	Confident	76 Å²	76	59.1 Å²	59.1	33%	0.333	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.3	-179.8	-58.1	-87.7	0	0	0	110.2	V193 Y194 V220 K221 M223 F233 A266	V193-F235 VanDerWaalsContact O-CA 3.27Å; V193-F235 WeakPolarHBondContact O-CA 3.49Å; Y194-F235 HydrophobicContact CD2-CD1 4.07Å; Y194-F235 AromaticContact CD2-CE1 3.55Å; Y194-F235 HydrophobicContact CD2-CE1 3.55Å; Y194-F235 AromaticContact CD2-CZ 3.89Å; Y194-F235 HydrophobicContact CD2-CZ 3.89Å; Y194-F235 HydrophobicContact CE2-CE1 4.42Å; Y194-F235 HydrophobicContact CE2-CZ 4.35Å; Y194-F235 HydrophobicContact CG-CE1 4.29Å; V220-F235 CarbonylContact C-O 3.54Å; V220-F235 WeakPolarHBondContact CA-O 3.31Å; K221-F235 PolarHBondContact N-O 3.23Å; K221-F235 PolarHBondContact O-N 3.45Å; M223-F235 HydrophobicContact CG-CD2 4.23Å; M223-F235 HydrophobicContact CG-CE2 3.88Å; M223-F235 HydrophobicContact SD-CE2 4.34Å; F233-F235 HydrophobicContact CD2-CE2 4.36Å; F233-F235 HydrophobicContact CE2-CE2 4.11Å; F233-F235 HydrophobicContact CE2-CZ 4.39Å; F235-A266 HydrophobicContact CD1-CB 3.94Å; F235-A266 HydrophobicContact CE1-CB 4.22Å
236	V	94.6	Very high	88.6	Confident	2 Å²	2	60 Å²	60	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.2	170.7	173.5	0	0	0	0	107.6	N192 V193 I195 L207 F211 T217 S219 V220 F238	N192-V236 CarbonylContact C-O 3.57Å; N192-V236 WeakPolarHBondContact CA-O 3.4Å; V193-V236 PolarHBondContact N-O 3.27Å; V193-V236 PolarHBondContact O-N 2.82Å; I195-V236 HydrophobicContact CD1-CB 3.92Å; I195-V236 HydrophobicContact CD1-CG2 3.58Å; L207-V236 HydrophobicContact CD2-CG2 4.4Å; L207-V236 HydrophobicContact CG-CG2 4.23Å; F211-V236 HydrophobicContact CB-CG1 4.3Å; F211-V236 HydrophobicContact CB-CG2 4.17Å; F211-V236 HydrophobicContact CD2-CG2 4.43Å; F211-V236 HydrophobicContact CG-CG2 4.16Å; T217-V236 HydrophobicContact CG2-CG1 3.53Å; S219-V236 CarbonylContact O-C 3.56Å; S219-V236 WeakPolarHBondContact O-CA 3.48Å; V220-V236 HydrophobicContact CG1-CG2 4.01Å; V220-V236 HydrophobicContact CG2-CG1 4.29Å; V220-V236 HydrophobicContact CG2-CG2 4.1Å; V236-F238 HydrophobicContact CB-CE2 4.24Å; V236-F238 HydrophobicContact CG1-CD2 3.89Å; V236-F238 HydrophobicContact CG1-CE1 4.38Å; V236-F238 HydrophobicContact CG1-CE2 3.45Å; V236-F238 VanDerWaalsContact CG1-CE2 3.45Å; V236-F238 HydrophobicContact CG1-CZ 3.73Å
237	S	91.9	Very high	89.2	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	173.3	-169.2	0	0	0	0	108.6	N192 T217 L218 S219	N192-S237 VanDerWaalsContact OD1-CB 3.25Å; N192-S237 WeakPolarHBondContact OD1-CB 3.22Å; N192-S237 PolarHBondContact OD1-OG 3.49Å; T217-S237 CarbonylContact C-O 3.53Å; T217-S237 WeakPolarHBondContact CA-O 3.15Å; L218-S237 PolarHBondContact N-O 2.65Å; S219-S237 PolarHBondContact N-O 2.92Å; S219-S237 PolarHBondContact O-N 3.3Å
238	F	93.3	Very high	89.9	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	159.2	176.7	-71.7	-87	0	0	0	112	T191 V193 F211 G215 T217 V236 K240 D243 A244 A247	T191-F238 VanDerWaalsContact CB-O 3.23Å; T191-F238 WeakPolarHBondContact CB-O 3.39Å; T191-F238 WeakPolarHBondContact CG2-O 3.37Å; T191-F238 PolarHBondContact O-N 2.83Å; V193-F238 HydrophobicContact CB-CE2 4.49Å; V193-F238 HydrophobicContact CG2-CD2 3.98Å; V193-F238 HydrophobicContact CG2-CE2 3.82Å; F211-F238 HydrophobicContact CB-CZ 4.2Å; F211-F238 HydrophobicContact CD1-CZ 4.19Å; G215-F238 WeakPolarHBondContact O-CE1 3.4Å; T217-F238 HydrophobicContact CG2-CD1 4.12Å; T217-F238 HydrophobicContact CG2-CE1 3.81Å; T217-F238 HydrophobicContact CG2-CZ 4.26Å; V236-F238 HydrophobicContact CB-CE2 4.24Å; V236-F238 HydrophobicContact CG1-CD2 3.89Å; V236-F238 HydrophobicContact CG1-CE1 4.38Å; V236-F238 HydrophobicContact CG1-CE2 3.45Å; V236-F238 VanDerWaalsContact CG1-CE2 3.45Å; V236-F238 HydrophobicContact CG1-CZ 3.73Å; F238-K240 VanDerWaalsContact C-N 3.3Å; F238-K240 WeakPolarHBondContact CB-O 3.46Å; F238-D243 HydrophobicContact CB-CB 4.3Å; F238-D243 HydrophobicContact CD1-CB 3.76Å; F238-D243 HydrophobicContact CE1-CB 4.37Å; F238-D243 HydrophobicContact CG-CB 4.16Å; F238-A244 HydrophobicContact CB-CB 4.22Å; F238-A244 HydrophobicContact CD2-CB 3.71Å; F238-A244 HydrophobicContact CE2-CB 4.47Å; F238-A244 HydrophobicContact CG-CB 4.22Å; F238-A247 HydrophobicContact CE2-CB 3.72Å; F238-A247 HydrophobicContact CZ-CB 3.64Å
239	E	89.8	Confident	90.6	Very high	93 Å²	93	55 Å²	55	44%	0.435	26%	0.256	S	S	.	.	S	Bend	trans	-70.9	-26.8	171.8	-167.8	169.8	132.6	0	0	112.6	K216 L218	K216-E239 VanDerWaalsContact CD-OE2 3.27Å; K216-E239 WeakPolarHBondContact CD-OE2 3.49Å; K216-E239 WeakPolarHBondContact CE-OE2 3.28Å; K216-E239 IonicContact NZ-OE2 3.58Å; K216-E239 PolarHBondContact NZ-OE2 3.26Å; K216-E239 PolarHBondContact O-N 3.22Å; L218-E239 HydrophobicContact CD1-CB 4.42Å; L218-E239 HydrophobicContact CD2-CB 4.18Å; L218-E239 HydrophobicContact CD2-CG 4.37Å; L218-E239 HydrophobicContact CG-CB 4.19Å
240	K	89.8	Confident	91.1	Very high	114 Å²	114	54.9 Å²	54.9	50%	0.496	26%	0.257	S	S	.	.	S	Bend	trans	-128	152.2	-176.9	-61.4	177.1	-177.7	175.1	0	112.4	F238 D243 A244	F238-K240 VanDerWaalsContact C-N 3.3Å; F238-K240 WeakPolarHBondContact CB-O 3.46Å; K240-D243 HydrophobicContact CB-CB 4.5Å; K240-A244 PolarHBondContact O-N 3.3Å
241	H	89	Confident	91.4	Very high	48 Å²	48	54.3 Å²	54.3	22%	0.222	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-37.3	172.8	176.1	42.4	0	0	0	112.8	E189 F190 D243 A244 N245	E189-H241 HydrophobicContact CB-CB 4.23Å; E189-H241 HydrophobicContact CG-CB 4.44Å; F190-H241 AromaticContact CD1-CE1 3.57Å; F190-H241 AromaticContact CD1-ND1 3.94Å; F190-H241 AromaticContact CE1-CE1 3.67Å; F190-H241 PolarHBondContact N-CE1 2.95Å; F190-H241 PolarHBondContact N-ND1 2.57Å; F190-H241 PolarHBondContact O-ND1 2.62Å; H241-D243 VanDerWaalsContact C-N 3.33Å; H241-D243 PolarHBondContact O-N 3.15Å; H241-A244 PolarHBondContact O-N 3.21Å; H241-N245 PolarHBondContact CE1-ND2 2.75Å; H241-N245 PolarHBondContact CE1-OD1 3.47Å; H241-N245 PolarHBondContact NE2-ND2 2.88Å; H241-N245 PolarHBondContact O-N 2.92Å
242	E	90.1	Very high	91.7	Very high	125 Å²	125	51 Å²	51	58%	0.584	25%	0.246	S	C	*	.	H	α-helix	trans	-60	-43.5	-179.4	-64.5	174.6	-172	0	0	112	N245 K246	E242-N245 PolarHBondContact O-N 3.49Å; E242-K246 WeakPolarHBondContact O-CG 3.18Å; E242-K246 PolarHBondContact O-N 2.9Å
243	D	93.2	Very high	91.8	Very high	18 Å²	18	52.8 Å²	52.8	10%	0.096	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-41.1	178.8	-56.5	-11.6	0	0	0	110.8	Y214 F238 K240 H241 N245 K246 A247	Y214-D243 WeakPolarHBondContact O-CB 3.43Å; F238-D243 HydrophobicContact CB-CB 4.3Å; F238-D243 HydrophobicContact CD1-CB 3.76Å; F238-D243 HydrophobicContact CE1-CB 4.37Å; F238-D243 HydrophobicContact CG-CB 4.16Å; K240-D243 HydrophobicContact CB-CB 4.5Å; H241-D243 VanDerWaalsContact C-N 3.33Å; H241-D243 PolarHBondContact O-N 3.15Å; D243-N245 PolarHBondContact O-N 2.82Å; D243-K246 PolarHBondContact O-N 3.4Å; D243-K246 IonicContact OD1-NZ 3.14Å; D243-A247 WeakPolarHBondContact O-CB 3.41Å; D243-A247 PolarHBondContact O-N 3.22Å
244	A	91.4	Very high	91.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-32.1	173.8	0	0	0	0	0	113.5	F190 V193 F238 K240 H241 V248	F190-A244 HydrophobicContact CD2-CB 4.2Å; F190-A244 HydrophobicContact CE2-CB 4.07Å; F190-A244 VanDerWaalsContact O-CB 3.31Å; F190-A244 WeakPolarHBondContact O-CB 3.33Å; V193-A244 HydrophobicContact CG2-CB 3.82Å; F238-A244 HydrophobicContact CB-CB 4.22Å; F238-A244 HydrophobicContact CD2-CB 3.71Å; F238-A244 HydrophobicContact CE2-CB 4.47Å; F238-A244 HydrophobicContact CG-CB 4.22Å; K240-A244 PolarHBondContact O-N 3.3Å; H241-A244 PolarHBondContact O-N 3.21Å; A244-V248 VanDerWaalsContact O-CG2 3.29Å; A244-V248 WeakPolarHBondContact O-CG2 3.47Å; A244-V248 PolarHBondContact O-N 2.86Å
245	N	91.6	Very high	91.5	Very high	46 Å²	46	59.9 Å²	59.9	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-50.1	172.4	-78	-18.3	0	0	0	111.3	F190 H241 E242 D243 A247 V248 E249	F190-N245 WeakPolarHBondContact CE1-OD1 3.45Å; F190-N245 WeakPolarHBondContact CZ-OD1 3.43Å; H241-N245 PolarHBondContact CE1-ND2 2.75Å; H241-N245 PolarHBondContact CE1-OD1 3.47Å; H241-N245 PolarHBondContact NE2-ND2 2.88Å; H241-N245 PolarHBondContact O-N 2.92Å; E242-N245 PolarHBondContact O-N 3.49Å; D243-N245 PolarHBondContact O-N 2.82Å; N245-A247 VanDerWaalsContact C-N 3.29Å; N245-A247 PolarHBondContact O-N 3.34Å; N245-V248 CarbonylContact O-C 3.46Å; N245-V248 WeakPolarHBondContact O-CA 3.29Å; N245-V248 WeakPolarHBondContact O-CB 3.38Å; N245-V248 PolarHBondContact O-N 2.79Å; N245-E249 WeakPolarHBondContact O-CG 3.44Å; N245-E249 PolarHBondContact O-N 2.78Å
246	K	92.9	Very high	90.9	Very high	87 Å²	87	58.3 Å²	58.3	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-55.8	-45.2	177.8	-66.2	165.2	-167.3	159.7	0	111.4	Y214 E242 D243 V248 E249 E250	Y214-K246 HydrophobicContact CD1-CB 4.25Å; E242-K246 WeakPolarHBondContact O-CG 3.18Å; E242-K246 PolarHBondContact O-N 2.9Å; D243-K246 PolarHBondContact O-N 3.4Å; D243-K246 IonicContact OD1-NZ 3.14Å; K246-V248 VanDerWaalsContact C-N 3.25Å; K246-V248 PolarHBondContact O-N 2.8Å; K246-E249 PolarHBondContact O-N 3.08Å; K246-E250 WeakPolarHBondContact O-CB 3.2Å; K246-E250 PolarHBondContact O-N 3.09Å
247	A	93.4	Very high	89.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-34	175	0	0	0	0	0	113.3	F211 Y214 F238 D243 N245 M251	F211-A247 HydrophobicContact CD1-CB 3.91Å; F211-A247 HydrophobicContact CE1-CB 4.09Å; Y214-A247 HydrophobicContact CD2-CB 3.87Å; Y214-A247 HydrophobicContact CG-CB 3.93Å; F238-A247 HydrophobicContact CE2-CB 3.72Å; F238-A247 HydrophobicContact CZ-CB 3.64Å; D243-A247 WeakPolarHBondContact O-CB 3.41Å; D243-A247 PolarHBondContact O-N 3.22Å; N245-A247 VanDerWaalsContact C-N 3.29Å; N245-A247 PolarHBondContact O-N 3.34Å; A247-M251 WeakPolarHBondContact O-CB 3.43Å; A247-M251 PolarHBondContact O-N 2.86Å
248	V	93.2	Very high	89.1	Confident	27 Å²	27	65.1 Å²	65.1	16%	0.164	35%	0.348	C	S	.	.	H	α-helix	trans	-76.8	-42.7	174.3	167.7	0	0	0	0	111.8	F190 V193 A244 N245 K246 N252 V263	F190-V248 HydrophobicContact CE2-CG2 3.96Å; F190-V248 HydrophobicContact CZ-CG2 4.07Å; V193-V248 HydrophobicContact CG1-CG2 3.92Å; V193-V248 HydrophobicContact CG2-CG2 4.11Å; A244-V248 VanDerWaalsContact O-CG2 3.29Å; A244-V248 WeakPolarHBondContact O-CG2 3.47Å; A244-V248 PolarHBondContact O-N 2.86Å; N245-V248 CarbonylContact O-C 3.46Å; N245-V248 WeakPolarHBondContact O-CA 3.29Å; N245-V248 WeakPolarHBondContact O-CB 3.38Å; N245-V248 PolarHBondContact O-N 2.79Å; K246-V248 VanDerWaalsContact C-N 3.25Å; K246-V248 PolarHBondContact O-N 2.8Å; V248-N252 WeakPolarHBondContact O-CB 3.31Å; V248-N252 PolarHBondContact O-N 3.09Å; V248-V263 HydrophobicContact CG2-CG1 4.11Å
249	E	91.3	Very high	88.6	Confident	154 Å²	154	68.3 Å²	68.3	72%	0.72	36%	0.362	S	S	*	.	H	α-helix	trans	-71.2	-38.1	-176.3	-71.1	177.7	169.7	0	0	112.6	N245 K246	N245-E249 WeakPolarHBondContact O-CG 3.44Å; N245-E249 PolarHBondContact O-N 2.78Å; K246-E249 PolarHBondContact O-N 3.08Å
250	E	92.3	Very high	88.6	Confident	119 Å²	119	67.5 Å²	67.5	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-89.3	-33.1	-176.5	-69.2	-175.3	-128	0	0	114.5	Y214 K246 T254	Y214-E250 HydrophobicContact CE1-CB 3.77Å; Y214-E250 HydrophobicContact CE1-CG 4.2Å; Y214-E250 WeakPolarHBondContact CE1-OE2 3.28Å; K246-E250 WeakPolarHBondContact O-CB 3.2Å; K246-E250 PolarHBondContact O-N 3.09Å; E250-T254 WeakPolarHBondContact O-CG2 3.32Å
251	M	91.5	Very high	88.7	Confident	7 Å²	7	62.2 Å²	62.2	3%	0.034	34%	0.341	C	S	.	.	H	α-helix	trans	-93.4	-20.3	-178.1	-66.9	-67.7	-58.3	0	0	114.2	L210 F211 Y214 A247 G253 T254 L256 V263	L210-M251 HydrophobicContact CD1-CE 4.1Å; L210-M251 HydrophobicContact CD2-CE 3.98Å; L210-M251 HydrophobicContact CG-CE 4.16Å; F211-M251 HydrophobicContact CE1-CB 4.23Å; F211-M251 HydrophobicContact CE1-CG 3.93Å; F211-M251 HydrophobicContact CZ-CB 4.09Å; F211-M251 HydrophobicContact CZ-CE 4.43Å; F211-M251 HydrophobicContact CZ-CG 3.92Å; Y214-M251 HydrophobicContact CD2-CG 4.46Å; Y214-M251 HydrophobicContact CE2-CG 3.37Å; Y214-M251 HydrophobicContact CE2-SD 3.94Å; Y214-M251 WeakPolarHBondContact OH-CG 3.22Å; Y214-M251 PolarHBondContact OH-SD 2.81Å; A247-M251 WeakPolarHBondContact O-CB 3.43Å; A247-M251 PolarHBondContact O-N 2.86Å; M251-G253 PolarHBondContact O-N 2.86Å; M251-T254 WeakPolarHBondContact O-CB 3.22Å; M251-T254 PolarHBondContact O-N 3.5Å; M251-T254 VanDerWaalsContact O-N 3.16Å; M251-T254 PolarHBondContact O-OG1 2.99Å; M251-L256 HydrophobicContact CE-CD1 4.05Å; M251-V263 HydrophobicContact CB-CB 4.38Å; M251-V263 HydrophobicContact CB-CG2 3.67Å
252	N	92.5	Very high	88.9	Confident	76 Å²	76	64.9 Å²	64.9	41%	0.406	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	115.2	-176.5	-177	49.5	0	0	0	111.9	V248 F262 V263	V248-N252 WeakPolarHBondContact O-CB 3.31Å; V248-N252 PolarHBondContact O-N 3.09Å; N252-F262 WeakPolarHBondContact OD1-CA 3.34Å; N252-F262 WeakPolarHBondContact OD1-CD2 3.4Å; N252-V263 HydrophobicContact CB-CB 3.96Å; N252-V263 WeakPolarHBondContact CB-O 3.49Å; N252-V263 VanDerWaalsContact CG-O 3.23Å; N252-V263 PolarHBondContact OD1-N 3.13Å; N252-V263 PolarHBondContact OD1-O 3.01Å
253	G	87.9	Confident	89	Confident	50 Å²	50	59 Å²	59	52%	0.515	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-2.7	-175.4	0	0	0	0	0	114.3	M251 V261	M251-G253 PolarHBondContact O-N 2.86Å; G253-V261 PolarHBondContact N-O 3.41Å
254	T	90	Very high	88.9	Confident	44 Å²	44	58.5 Å²	58.5	27%	0.27	32%	0.324	S	S	.	.			trans	-67.2	153	172.5	58.9	0	0	0	0	111.6	E250 M251 T260 V261	E250-T254 WeakPolarHBondContact O-CG2 3.32Å; M251-T254 WeakPolarHBondContact O-CB 3.22Å; M251-T254 PolarHBondContact O-N 3.5Å; M251-T254 VanDerWaalsContact O-N 3.16Å; M251-T254 PolarHBondContact O-OG1 2.99Å; T254-T260 CarbonylContact O-C 3.6Å; T254-T260 WeakPolarHBondContact O-CA 3.46Å; T254-V261 PolarHBondContact O-N 3.3Å
255	E	87.3	Confident	88.8	Confident	147 Å²	147	63 Å²	63	69%	0.687	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.7	174.3	-65.8	-167.5	156.2	0	0	111.1	T260	E255-T260 HydrophobicContact CG-CG2 3.74Å
256	L	81.1	Confident	88.6	Confident	42 Å²	42	62 Å²	62	22%	0.22	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.2	168.4	-61.5	-179.7	0	0	0	108.6	L210 M251 G258 K259 V261	L210-L256 HydrophobicContact CD2-CD1 3.59Å; M251-L256 HydrophobicContact CE-CD1 4.05Å; L256-G258 PolarHBondContact O-N 2.91Å; L256-G258 VanDerWaalsContact O-N 3.11Å; L256-K259 PolarHBondContact N-O 3.48Å; L256-K259 PolarHBondContact O-N 2.74Å; L256-K259 VanDerWaalsContact O-O 3.08Å; L256-V261 HydrophobicContact CB-CG2 3.82Å; L256-V261 HydrophobicContact CD1-CG2 3.7Å; L256-V261 HydrophobicContact CG-CG2 3.64Å
257	N	72.4	Confident	88.1	Confident	95 Å²	95	61.3 Å²	61.3	51%	0.508	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	39.4	179.2	-60	7.7	0	0	0	113.5	D201 K259	D201-N257 PolarHBondContact OD2-ND2 2.99Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.12Å
258	G	77.9	Confident	87.4	Confident	74 Å²	74	69.1 Å²	69.1	76%	0.763	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	16.5	-178.2	0	0	0	0	0	115.2	L256	L256-G258 PolarHBondContact O-N 2.91Å; L256-G258 VanDerWaalsContact O-N 3.11Å
259	K	82.4	Confident	86.5	Confident	69 Å²	69	76.3 Å²	76.3	30%	0.3	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.3	-178.4	-61.5	165	-175.8	164.4	0	109.2	N197 D200 L256 N257 V261	N197-K259 WeakPolarHBondContact O-CB 3.3Å; D200-K259 IonicContact OD1-NZ 2.73Å; D200-K259 PolarHBondContact OD1-NZ 3Å; L256-K259 PolarHBondContact N-O 3.48Å; L256-K259 PolarHBondContact O-N 2.74Å; L256-K259 VanDerWaalsContact O-O 3.08Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.12Å; K259-V261 PolarHBondContact O-N 3.44Å
260	T	88.9	Confident	85.5	Confident	76 Å²	76	76.6 Å²	76.6	47%	0.466	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	114.2	177.2	37.9	0	0	0	0	110.9	N197 T254 E255	N197-T260 WeakPolarHBondContact CB-O 3.49Å; N197-T260 PolarHBondContact ND2-O 2.81Å; T254-T260 CarbonylContact O-C 3.6Å; T254-T260 WeakPolarHBondContact O-CA 3.46Å; E255-T260 HydrophobicContact CG-CG2 3.74Å
261	V	92.4	Very high	84.7	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.018	39%	0.393	C	S	.	.			trans	-77.8	129.6	-176.5	-171.3	0	0	0	0	110.1	I195 K196 F198 G253 T254 L256 K259 V263	I195-V261 HydrophobicContact CG2-CG1 3.7Å; K196-V261 WeakPolarHBondContact O-CA 3.33Å; K196-V261 WeakPolarHBondContact O-CG1 3.38Å; F198-V261 HydrophobicContact CB-CG1 4.44Å; F198-V261 HydrophobicContact CB-CG2 4.31Å; G253-V261 PolarHBondContact N-O 3.41Å; T254-V261 PolarHBondContact O-N 3.3Å; L256-V261 HydrophobicContact CB-CG2 3.82Å; L256-V261 HydrophobicContact CD1-CG2 3.7Å; L256-V261 HydrophobicContact CG-CG2 3.64Å; K259-V261 PolarHBondContact O-N 3.44Å; V261-V263 HydrophobicContact CG1-CG2 3.75Å
262	F	92.4	Very high	83.7	Confident	103 Å²	103	79.6 Å²	79.6	45%	0.452	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.3	168.5	175.5	-93.4	0	0	0	109.8	Y194 I195 K196 N252	Y194-F262 HydrophobicContact CD1-CD1 4.12Å; Y194-F262 HydrophobicContact CD1-CE1 4.01Å; Y194-F262 HydrophobicContact CE1-CD1 4.1Å; Y194-F262 HydrophobicContact CE1-CE1 4.23Å; I195-F262 CarbonylContact C-O 3.56Å; I195-F262 WeakPolarHBondContact CA-O 3.28Å; K196-F262 HydrophobicContact CB-CB 4.4Å; K196-F262 PolarHBondContact N-O 2.82Å; K196-F262 PolarHBondContact O-N 2.8Å; N252-F262 WeakPolarHBondContact OD1-CA 3.34Å; N252-F262 WeakPolarHBondContact OD1-CD2 3.4Å
263	V	93.1	Very high	82.6	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.006	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	178.7	-166.5	0	0	0	0	109.2	V193 Y194 I195 F211 V248 M251 N252 V261	V193-V263 HydrophobicContact CG1-CG1 3.33Å; Y194-V263 WeakPolarHBondContact O-CA 3.49Å; I195-V263 HydrophobicContact CG1-CG1 4.34Å; I195-V263 HydrophobicContact CG2-CG2 3.98Å; F211-V263 HydrophobicContact CE1-CG1 4.13Å; F211-V263 HydrophobicContact CZ-CG1 4.36Å; F211-V263 HydrophobicContact CZ-CG2 4.31Å; V248-V263 HydrophobicContact CG2-CG1 4.11Å; M251-V263 HydrophobicContact CB-CB 4.38Å; M251-V263 HydrophobicContact CB-CG2 3.67Å; N252-V263 HydrophobicContact CB-CB 3.96Å; N252-V263 WeakPolarHBondContact CB-O 3.49Å; N252-V263 VanDerWaalsContact CG-O 3.23Å; N252-V263 PolarHBondContact OD1-N 3.13Å; N252-V263 PolarHBondContact OD1-O 3.01Å; V261-V263 HydrophobicContact CG1-CG2 3.75Å
264	G	90.8	Very high	81.9	Confident	9 Å²	9	82.8 Å²	82.8	9%	0.093	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	173	-178	0	0	0	0	0	113.4	V193 Y194 A266	V193-G264 CarbonylContact C-O 3.44Å; V193-G264 WeakPolarHBondContact CA-O 3.1Å; Y194-G264 PolarHBondContact N-O 3.46Å; Y194-G264 PolarHBondContact O-N 2.78Å; G264-A266 PolarHBondContact O-N 2.85Å
265	R	90.4	Very high	81.3	Confident	94 Å²	94	85.4 Å²	85.4	36%	0.355	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	129.7	175.2	169.6	174.4	153.3	147.1	-9.3	111.4	A187 K188 F190 Q267 E271	A187-R265 PolarHBondContact O-NH1 3.15Å; K188-R265 PolarHBondContact O-NH1 2.92Å; K188-R265 VanDerWaalsContact O-NH1 3.16Å; F190-R265 HydrophobicContact CB-CG 3.91Å; F190-R265 HydrophobicContact CD1-CB 3.93Å; F190-R265 HydrophobicContact CD1-CG 4Å; F190-R265 HydrophobicContact CD2-CB 3.88Å; F190-R265 HydrophobicContact CD2-CG 4.09Å; F190-R265 HydrophobicContact CE1-CB 4.04Å; F190-R265 HydrophobicContact CE2-CB 4Å; F190-R265 HydrophobicContact CG-CB 3.86Å; F190-R265 HydrophobicContact CG-CG 3.72Å; F190-R265 HydrophobicContact CZ-CB 4.09Å; R265-Q267 PolarHBondContact O-N 3.33Å; R265-Q267 VanDerWaalsContact O-N 3.11Å; R265-E271 IonicContact CZ-OE1 2.66Å; R265-E271 IonicContact NH2-OE1 2.77Å; R265-E271 PolarHBondContact NH2-OE1 2.88Å
266	A	86.3	Confident	80.7	Confident	25 Å²	25	83.9 Å²	83.9	21%	0.207	43%	0.427	C	S	.	.			trans	-70	105.3	174.1	0	0	0	0	0	111	N192 F235 G264	N192-A266 HydrophobicContact CB-CB 3.84Å; N192-A266 WeakPolarHBondContact O-CB 3.44Å; N192-A266 PolarHBondContact O-N 3.4Å; F235-A266 HydrophobicContact CD1-CB 3.94Å; F235-A266 HydrophobicContact CE1-CB 4.22Å; G264-A266 PolarHBondContact O-N 2.85Å
267	Q	81.7	Confident	80.6	Confident	72 Å²	72	88.8 Å²	88.8	34%	0.336	45%	0.446	S	S	.	.			trans	-85	146.4	175	-64.4	-179	-24	0	0	111.9	R265 E271 R272 E275	R265-Q267 PolarHBondContact O-N 3.33Å; R265-Q267 VanDerWaalsContact O-N 3.11Å; Q267-E271 WeakPolarHBondContact CA-OE2 3.44Å; Q267-R272 HydrophobicContact CB-CB 4.08Å; Q267-E275 PolarHBondContact NE2-OE2 3.33Å
268	K	78.9	Confident	81	Confident	164 Å²	164	92.8 Å²	92.8	71%	0.713	45%	0.454	S	S	*	.			trans	-69.4	149.1	169.9	-70.1	-178.2	178	178.7	0	110.5	M270 E271 R272	K268-M270 PolarHBondContact O-N 3.24Å; K268-M270 VanDerWaalsContact O-N 3.14Å; K268-E271 HydrophobicContact CB-CB 4.2Å; K268-E271 PolarHBondContact N-OE2 2.87Å; K268-E271 WeakPolarHBondContact O-CB 3.34Å; K268-E271 PolarHBondContact O-N 3.4Å; K268-E271 VanDerWaalsContact O-N 3.09Å; K268-R272 WeakPolarHBondContact O-CB 3.28Å; K268-R272 PolarHBondContact O-N 3.38Å
269	K	74.5	Confident	81	Confident	178 Å²	178	95.6 Å²	95.6	77%	0.774	45%	0.445	S	S	*	.	H	α-helix	trans	-50.9	-42.7	-178.6	-172.7	-176.8	177.7	-173.2	0	112.9	Q273	K269-Q273 VanDerWaalsContact O-CB 3.27Å; K269-Q273 WeakPolarHBondContact O-CB 3.25Å; K269-Q273 PolarHBondContact O-N 3.4Å
270	M	71.3	Confident	80.7	Confident	161 Å²	161	99.5 Å²	99.5	79%	0.793	46%	0.463	S	S	*	.	H	α-helix	trans	-68.3	-46.4	178.2	-175.9	-173.2	-74.5	0	0	112.9	K268 Q273 A274	K268-M270 PolarHBondContact O-N 3.24Å; K268-M270 VanDerWaalsContact O-N 3.14Å; M270-Q273 PolarHBondContact O-N 3.07Å; M270-A274 WeakPolarHBondContact O-CB 3.33Å; M270-A274 PolarHBondContact O-N 3Å
271	E	75.3	Confident	80.2	Confident	71 Å²	71	101.4 Å²	101.4	33%	0.332	47%	0.466	S	S	.	.	H	α-helix	trans	-56.9	-51.7	175.8	178.4	-173.6	-164.4	0	0	110.4	R265 Q267 K268 Q273 A274 E275	R265-E271 IonicContact CZ-OE1 2.66Å; R265-E271 IonicContact NH2-OE1 2.77Å; R265-E271 PolarHBondContact NH2-OE1 2.88Å; Q267-E271 WeakPolarHBondContact CA-OE2 3.44Å; K268-E271 HydrophobicContact CB-CB 4.2Å; K268-E271 PolarHBondContact N-OE2 2.87Å; K268-E271 WeakPolarHBondContact O-CB 3.34Å; K268-E271 PolarHBondContact O-N 3.4Å; K268-E271 VanDerWaalsContact O-N 3.09Å; E271-Q273 PolarHBondContact O-N 3.15Å; E271-A274 PolarHBondContact O-N 3.04Å; E271-E275 PolarHBondContact O-N 3.4Å
272	R	71.1	Confident	79.4	Confident	118 Å²	118	107.2 Å²	107.2	45%	0.445	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-43.4	175.8	-178	174.5	171.7	174.9	-0.4	112.5	Q267 K268 E275 L276	Q267-R272 HydrophobicContact CB-CB 4.08Å; K268-R272 WeakPolarHBondContact O-CB 3.28Å; K268-R272 PolarHBondContact O-N 3.38Å; R272-E275 PolarHBondContact O-N 2.91Å; R272-L276 VanDerWaalsContact O-CB 3.3Å; R272-L276 WeakPolarHBondContact O-CB 3.36Å; R272-L276 PolarHBondContact O-N 3.23Å
273	Q	69.1	Low	78.8	Confident	133 Å²	133	106.8 Å²	106.8	62%	0.621	50%	0.495	S	S	*	.	H	α-helix	trans	-67.9	-36.3	-179.9	-173.3	170.9	-4.4	0	0	112	K269 M270 E271 K277	K269-Q273 VanDerWaalsContact O-CB 3.27Å; K269-Q273 WeakPolarHBondContact O-CB 3.25Å; K269-Q273 PolarHBondContact O-N 3.4Å; M270-Q273 PolarHBondContact O-N 3.07Å; E271-Q273 PolarHBondContact O-N 3.15Å; Q273-K277 VanDerWaalsContact O-CB 3.3Å; Q273-K277 WeakPolarHBondContact O-CB 3.45Å; Q273-K277 PolarHBondContact O-N 3.45Å
274	A	73.4	Confident	78.2	Confident	60 Å²	60	111.6 Å²	111.6	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-43.7	173.7	0	0	0	0	0	112.2	M270 E271 K277 R278	M270-A274 WeakPolarHBondContact O-CB 3.33Å; M270-A274 PolarHBondContact O-N 3Å; E271-A274 PolarHBondContact O-N 3.04Å; A274-K277 PolarHBondContact O-N 3.08Å; A274-R278 WeakPolarHBondContact O-CB 3.22Å; A274-R278 PolarHBondContact O-N 3.35Å
275	E	76.1	Confident	77.4	Confident	99 Å²	99	116.6 Å²	116.6	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-44	175.5	-170.6	-177.3	-175.8	0	0	111.7	Q267 E271 R272 K277 R278 K279	Q267-E275 PolarHBondContact NE2-OE2 3.33Å; E271-E275 PolarHBondContact O-N 3.4Å; R272-E275 PolarHBondContact O-N 2.91Å; E275-K277 VanDerWaalsContact C-N 3.34Å; E275-K277 PolarHBondContact O-N 3.33Å; E275-R278 PolarHBondContact O-N 3.2Å; E275-K279 WeakPolarHBondContact O-CB 3.43Å; E275-K279 PolarHBondContact O-N 3.21Å
276	L	75.9	Confident	76.9	Confident	114 Å²	114	116.4 Å²	116.4	60%	0.597	54%	0.54	S	S	*	.	H	α-helix	trans	-64.5	-39.5	178.8	-146.8	75.1	0	0	0	111.4	R272 K279 F280	R272-L276 VanDerWaalsContact O-CB 3.3Å; R272-L276 WeakPolarHBondContact O-CB 3.36Å; R272-L276 PolarHBondContact O-N 3.23Å; L276-K279 PolarHBondContact O-N 3.08Å; L276-F280 VanDerWaalsContact O-CB 3.31Å; L276-F280 WeakPolarHBondContact O-CB 3.22Å; L276-F280 PolarHBondContact O-N 2.92Å
277	K	79	Confident	76.4	Confident	145 Å²	145	123.4 Å²	123.4	63%	0.63	56%	0.561	S	S	*	*	H	α-helix	trans	-58.9	-51.3	171	-177.3	-176.3	176	-174.2	0	110.6	Q273 A274 E275 K279 F280 E281	Q273-K277 VanDerWaalsContact O-CB 3.3Å; Q273-K277 WeakPolarHBondContact O-CB 3.45Å; Q273-K277 PolarHBondContact O-N 3.45Å; A274-K277 PolarHBondContact O-N 3.08Å; E275-K277 VanDerWaalsContact C-N 3.34Å; E275-K277 PolarHBondContact O-N 3.33Å; K277-K279 PolarHBondContact O-N 3.38Å; K277-F280 PolarHBondContact O-N 2.89Å; K277-E281 VanDerWaalsContact O-CB 3.22Å; K277-E281 WeakPolarHBondContact O-CB 3.45Å; K277-E281 PolarHBondContact O-N 3.39Å
278	R	79.4	Confident	76	Confident	180 Å²	180	121.9 Å²	121.9	68%	0.679	56%	0.555	S	S	*	*	H	α-helix	trans	-59.3	-42.3	178.8	-179.2	-176.8	173.2	-155.9	-2.9	112.3	A274 E275 E281 Q282	A274-R278 WeakPolarHBondContact O-CB 3.22Å; A274-R278 PolarHBondContact O-N 3.35Å; E275-R278 PolarHBondContact O-N 3.2Å; R278-E281 PolarHBondContact O-N 2.93Å; R278-Q282 VanDerWaalsContact O-CB 3.31Å; R278-Q282 WeakPolarHBondContact O-CB 3.16Å; R278-Q282 PolarHBondContact O-N 3.02Å
279	K	78.2	Confident	76	Confident	132 Å²	132	117.7 Å²	117.7	57%	0.574	55%	0.546	S	S	*	.	H	α-helix	trans	-69.5	-37.9	179.3	-168.3	168.8	-175.7	171.4	0	111.9	E275 L276 K277 L283	E275-K279 WeakPolarHBondContact O-CB 3.43Å; E275-K279 PolarHBondContact O-N 3.21Å; L276-K279 PolarHBondContact O-N 3.08Å; K277-K279 PolarHBondContact O-N 3.38Å; K279-L283 WeakPolarHBondContact O-CB 3.5Å; K279-L283 WeakPolarHBondContact O-CG 3.46Å; K279-L283 PolarHBondContact O-N 3.04Å
280	F	76.5	Confident	76.1	Confident	152 Å²	152	116.4 Å²	116.4	67%	0.667	54%	0.536	S	S	*	.	H	α-helix	trans	-68.4	-40.1	173.1	-171.4	-93.9	0	0	0	112.1	L276 K277 L283 K284	L276-F280 VanDerWaalsContact O-CB 3.31Å; L276-F280 WeakPolarHBondContact O-CB 3.22Å; L276-F280 PolarHBondContact O-N 2.92Å; K277-F280 PolarHBondContact O-N 2.89Å; F280-L283 PolarHBondContact O-N 2.85Å; F280-K284 WeakPolarHBondContact O-CB 2.81Å; F280-K284 PolarHBondContact O-N 2.92Å
281	E	77.8	Confident	76.4	Confident	116 Å²	116	113.3 Å²	113.3	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-40.3	174.6	-175.8	162	-135	0	0	111.7	K277 R278 K284 Q285	K277-E281 VanDerWaalsContact O-CB 3.22Å; K277-E281 WeakPolarHBondContact O-CB 3.45Å; K277-E281 PolarHBondContact O-N 3.39Å; R278-E281 PolarHBondContact O-N 2.93Å; E281-K284 PolarHBondContact O-N 2.85Å; E281-Q285 WeakPolarHBondContact O-CB 3.48Å; E281-Q285 PolarHBondContact O-N 2.88Å
282	Q	76.6	Confident	76.6	Confident	125 Å²	125	116 Å²	116	58%	0.584	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-45.2	172.4	-173.6	174.1	2.2	0	0	111.8	R278 K284 Q285 E286	R278-Q282 VanDerWaalsContact O-CB 3.31Å; R278-Q282 WeakPolarHBondContact O-CB 3.16Å; R278-Q282 PolarHBondContact O-N 3.02Å; Q282-K284 VanDerWaalsContact C-N 3.34Å; Q282-K284 PolarHBondContact O-N 2.85Å; Q282-Q285 PolarHBondContact O-N 3.25Å; Q282-E286 WeakPolarHBondContact O-CB 3.42Å; Q282-E286 PolarHBondContact O-N 3.46Å
283	L	79.2	Confident	77.1	Confident	93 Å²	93	111.5 Å²	111.5	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-33.9	174.2	-74.2	167.3	0	0	0	112.6	K279 F280 R287	K279-L283 WeakPolarHBondContact O-CB 3.5Å; K279-L283 WeakPolarHBondContact O-CG 3.46Å; K279-L283 PolarHBondContact O-N 3.04Å; F280-L283 PolarHBondContact O-N 2.85Å; L283-R287 WeakPolarHBondContact O-CB 3.27Å; L283-R287 PolarHBondContact O-N 3.01Å; L283-R287 VanDerWaalsContact O-N 3.11Å
284	K	80.6	Confident	78	Confident	102 Å²	102	105.9 Å²	105.9	44%	0.443	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-46	171.2	-170.4	-179.2	-178.5	178.2	0	109.8	F280 E281 Q282 R287 I288 E372	F280-K284 WeakPolarHBondContact O-CB 2.81Å; F280-K284 PolarHBondContact O-N 2.92Å; E281-K284 PolarHBondContact O-N 2.85Å; Q282-K284 VanDerWaalsContact C-N 3.34Å; Q282-K284 PolarHBondContact O-N 2.85Å; K284-R287 CarbonylContact O-C 3.53Å; K284-R287 PolarHBondContact O-N 3.37Å; K284-I288 HydrophobicContact CG-CD1 3.99Å; K284-I288 VanDerWaalsContact O-CG1 3.26Å; K284-I288 WeakPolarHBondContact O-CG1 3.44Å; K284-I288 PolarHBondContact O-N 3.46Å; K284-E372 IonicContact NZ-OE2 3.95Å; K284-E372 PolarHBondContact NZ-OE2 3.06Å
285	Q	73.7	Confident	78.9	Confident	114 Å²	114	104.7 Å²	104.7	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-67.9	-38.7	-178.9	-172.9	60.6	13.8	0	0	112.7	E281 Q282 I288 S289	E281-Q285 WeakPolarHBondContact O-CB 3.48Å; E281-Q285 PolarHBondContact O-N 2.88Å; Q282-Q285 PolarHBondContact O-N 3.25Å; Q285-I288 WeakPolarHBondContact O-CB 3.31Å; Q285-I288 PolarHBondContact O-N 3.11Å; Q285-I288 VanDerWaalsContact O-N 3.15Å; Q285-S289 WeakPolarHBondContact O-CB 3.23Å; Q285-S289 PolarHBondContact O-N 3.34Å
286	E	80.1	Confident	79.7	Confident	91 Å²	91	100 Å²	100	43%	0.425	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-44.8	173.2	-162.8	-156.2	141.2	0	0	110.8	Q282 I288 S289 R290	Q282-E286 WeakPolarHBondContact O-CB 3.42Å; Q282-E286 PolarHBondContact O-N 3.46Å; E286-I288 VanDerWaalsContact C-N 3.27Å; E286-I288 PolarHBondContact O-N 3.01Å; E286-S289 PolarHBondContact O-N 3Å; E286-R290 VanDerWaalsContact O-CB 3.29Å; E286-R290 WeakPolarHBondContact O-CB 3.46Å; E286-R290 PolarHBondContact O-N 2.98Å; E286-R290 IonicContact OE1-CZ 2.87Å; E286-R290 IonicContact OE1-NE 2.76Å; E286-R290 IonicContact OE1-NH2 2.61Å; E286-R290 PolarHBondContact OE1-NH2 2.93Å
287	R	76.1	Confident	80.6	Confident	171 Å²	171	96.6 Å²	96.6	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-67.3	-25.2	173.3	-164	-171.7	-62.3	-164.3	-0.5	112.8	L283 K284 Y291 R370	L283-R287 WeakPolarHBondContact O-CB 3.27Å; L283-R287 PolarHBondContact O-N 3.01Å; L283-R287 VanDerWaalsContact O-N 3.11Å; K284-R287 CarbonylContact O-C 3.53Å; K284-R287 PolarHBondContact O-N 3.37Å; R287-Y291 HydrophobicContact CG-CD2 4.2Å; R287-Y291 HydrophobicContact CG-CE2 4.09Å; R287-Y291 WeakPolarHBondContact O-CD2 3.34Å; R287-R370 PolarHBondContact O-NH2 3.14Å
288	I	74.1	Confident	81.3	Confident	41 Å²	41	89.7 Å²	89.7	21%	0.21	41%	0.407	C	S	.	.	H	α-helix	trans	-69.2	-56.2	171.1	-74.4	162.4	0	0	0	109.2	K284 Q285 E286 R290 Y291 Q292	K284-I288 HydrophobicContact CG-CD1 3.99Å; K284-I288 VanDerWaalsContact O-CG1 3.26Å; K284-I288 WeakPolarHBondContact O-CG1 3.44Å; K284-I288 PolarHBondContact O-N 3.46Å; Q285-I288 WeakPolarHBondContact O-CB 3.31Å; Q285-I288 PolarHBondContact O-N 3.11Å; Q285-I288 VanDerWaalsContact O-N 3.15Å; E286-I288 VanDerWaalsContact C-N 3.27Å; E286-I288 PolarHBondContact O-N 3.01Å; I288-R290 PolarHBondContact O-N 2.73Å; I288-Y291 PolarHBondContact O-N 3.36Å; I288-Q292 PolarHBondContact O-N 2.97Å
289	S	77.6	Confident	82	Confident	75 Å²	75	86.3 Å²	86.3	52%	0.524	40%	0.398	S	S	.	.	H	α-helix	trans	-58.5	-46.8	-178.3	-170.7	0	0	0	0	112.8	Q285 E286 Y291 Q292	Q285-S289 WeakPolarHBondContact O-CB 3.23Å; Q285-S289 PolarHBondContact O-N 3.34Å; E286-S289 PolarHBondContact O-N 3Å; S289-Y291 PolarHBondContact O-N 2.96Å; S289-Y291 VanDerWaalsContact O-N 3.09Å; S289-Q292 WeakPolarHBondContact O-CB 3.11Å; S289-Q292 PolarHBondContact O-N 2.77Å; S289-Q292 VanDerWaalsContact O-N 3.08Å
290	R	77.1	Confident	82.6	Confident	151 Å²	151	83.4 Å²	83.4	57%	0.57	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.2	-176.5	-165	-169.7	-64.2	-173.7	-2.6	113.8	E286 I288 V294	E286-R290 VanDerWaalsContact O-CB 3.29Å; E286-R290 WeakPolarHBondContact O-CB 3.46Å; E286-R290 PolarHBondContact O-N 2.98Å; E286-R290 IonicContact OE1-CZ 2.87Å; E286-R290 IonicContact OE1-NE 2.76Å; E286-R290 IonicContact OE1-NH2 2.61Å; E286-R290 PolarHBondContact OE1-NH2 2.93Å; I288-R290 PolarHBondContact O-N 2.73Å; R290-V294 WeakPolarHBondContact O-CG2 3.24Å
291	Y	77.4	Confident	83.3	Confident	97 Å²	97	76.2 Å²	76.2	38%	0.38	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	5.8	179.6	-63	-61	0	0	0	113.6	R287 I288 S289	R287-Y291 HydrophobicContact CG-CD2 4.2Å; R287-Y291 HydrophobicContact CG-CE2 4.09Å; R287-Y291 WeakPolarHBondContact O-CD2 3.34Å; I288-Y291 PolarHBondContact O-N 3.36Å; S289-Y291 PolarHBondContact O-N 2.96Å; S289-Y291 VanDerWaalsContact O-N 3.09Å
292	Q	79.2	Confident	83.9	Confident	126 Å²	126	71.4 Å²	71.4	59%	0.589	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	128	179.3	-169.6	169.3	4.7	0	0	109.9	I288 S289 V294	I288-Q292 PolarHBondContact O-N 2.97Å; S289-Q292 WeakPolarHBondContact O-CB 3.11Å; S289-Q292 PolarHBondContact O-N 2.77Å; S289-Q292 VanDerWaalsContact O-N 3.08Å; Q292-V294 PolarHBondContact O-N 3.3Å
293	G	81.3	Confident	84.4	Confident	25 Å²	25	70.6 Å²	70.6	26%	0.258	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-25.7	-178.7	0	0	0	0	0	115.8	A346 L367	G293-A346 VanDerWaalsContact O-CB 3.28Å; G293-A346 WeakPolarHBondContact O-CB 3.38Å; G293-L367 WeakPolarHBondContact O-CD2 3.14Å
294	V	89.3	Confident	84.8	Confident	14 Å²	14	70.4 Å²	70.4	9%	0.085	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.2	-178.2	-61.9	0	0	0	0	115	R290 Q292 C339 F340 P343	R290-V294 WeakPolarHBondContact O-CG2 3.24Å; Q292-V294 PolarHBondContact O-N 3.3Å; V294-C339 WeakPolarHBondContact O-CA 3.38Å; V294-F340 PolarHBondContact O-N 3.12Å; V294-P343 HydrophobicContact CG1-CG 3.88Å
295	N	92.2	Very high	85.2	Confident	35 Å²	35	66.4 Å²	66.4	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.4	-175.7	-171.6	37.8	0	0	0	111.4	V338 C339 A368	N295-V338 PolarHBondContact OD1-O 2.84Å; N295-C339 HydrophobicContact CB-CB 4.33Å; N295-A368 HydrophobicContact CB-CB 4.2Å; N295-A368 WeakPolarHBondContact ND2-CB 3.32Å; N295-A368 VanDerWaalsContact O-CB 3.26Å; N295-A368 WeakPolarHBondContact O-CB 3.23Å; N295-A368 PolarHBondContact O-N 2.92Å
296	L	93.1	Very high	86.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.7	179.4	-56.1	-169.4	0	0	0	111.5	I298 F314 F337 V338 F340 A346 A349 V350 V365 A366 L367	L296-I298 HydrophobicContact CB-CD1 3.79Å; L296-F314 HydrophobicContact CD1-CE1 4.46Å; L296-F337 WeakPolarHBondContact O-CA 3.4Å; L296-F337 WeakPolarHBondContact O-CD1 3.39Å; L296-V338 WeakPolarHBondContact CB-O 3.29Å; L296-V338 PolarHBondContact N-O 3.19Å; L296-V338 PolarHBondContact O-N 2.71Å; L296-V338 VanDerWaalsContact O-N 3.15Å; L296-F340 HydrophobicContact CD1-CD2 4.23Å; L296-F340 HydrophobicContact CD1-CE2 3.77Å; L296-F340 HydrophobicContact CG-CD2 4.41Å; L296-F340 HydrophobicContact CG-CE2 4.37Å; L296-A346 HydrophobicContact CD2-CB 3.96Å; L296-A346 HydrophobicContact CG-CB 4.35Å; L296-A349 HydrophobicContact CD1-CB 3.78Å; L296-V350 HydrophobicContact CD1-CG2 4.01Å; L296-V350 HydrophobicContact CD2-CG2 3.47Å; L296-V350 VanDerWaalsContact CD2-CG2 3.47Å; L296-V350 HydrophobicContact CG-CG2 4.37Å; L296-V365 HydrophobicContact CB-CG1 4.45Å; L296-V365 HydrophobicContact CD1-CG1 3.82Å; L296-A366 CarbonylContact C-O 3.48Å; L296-A366 WeakPolarHBondContact CA-O 3.39Å; L296-L367 HydrophobicContact CD2-CD2 3.76Å
297	Y	93.7	Very high	86.8	Confident	44 Å²	44	62.6 Å²	62.6	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.6	168	171.9	-105.3	0	0	0	108.3	K299 F335 F337 Y364 A366	Y297-K299 HydrophobicContact CD1-CB 4.48Å; Y297-K299 HydrophobicContact CE1-CB 3.72Å; Y297-K299 HydrophobicContact CE1-CD 4.39Å; Y297-K299 HydrophobicContact CE1-CG 4.19Å; Y297-K299 WeakPolarHBondContact OH-CG 3.41Å; Y297-F335 HydrophobicContact CD2-CD2 4.21Å; Y297-F335 HydrophobicContact CE2-CB 4.02Å; Y297-F335 AromaticContact CE2-CD2 3.45Å; Y297-F335 HydrophobicContact CE2-CD2 3.45Å; Y297-F335 VanDerWaalsContact CE2-CD2 3.45Å; Y297-F335 HydrophobicContact CE2-CE2 4.03Å; Y297-F335 AromaticContact CE2-CG 3.89Å; Y297-F335 HydrophobicContact CE2-CG 3.89Å; Y297-F337 HydrophobicContact CD2-CD1 4.32Å; Y297-F337 AromaticContact CD2-CE1 3.7Å; Y297-F337 HydrophobicContact CD2-CE1 3.7Å; Y297-F337 AromaticContact CD2-CZ 3.96Å; Y297-F337 HydrophobicContact CD2-CZ 3.96Å; Y297-F337 HydrophobicContact CG-CE1 4.44Å; Y297-Y364 HydrophobicContact CD1-CD1 4.47Å; Y297-Y364 HydrophobicContact CD1-CE1 4.29Å; Y297-Y364 HydrophobicContact CE1-CD1 4.44Å; Y297-Y364 HydrophobicContact CE1-CE1 4.4Å; Y297-A366 PolarHBondContact N-O 2.89Å; Y297-A366 PolarHBondContact O-N 2.96Å; Y297-A366 VanDerWaalsContact O-N 3.09Å
298	I	94.6	Very high	87.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.4	179.2	-58.5	70.7	0	0	0	106.9	L296 L301 L310 F314 F335 G336 V338 L363 Y364 V365	L296-I298 HydrophobicContact CB-CD1 3.79Å; I298-L301 HydrophobicContact CG2-CD2 3.63Å; I298-L301 HydrophobicContact CG2-CG 4.16Å; I298-L310 HydrophobicContact CG1-CD1 4.4Å; I298-L310 HydrophobicContact CG2-CD1 4.49Å; I298-F314 HydrophobicContact CD1-CE1 4.46Å; I298-F314 HydrophobicContact CD1-CZ 4.44Å; I298-F314 HydrophobicContact CG1-CE1 3.98Å; I298-F314 HydrophobicContact CG1-CE2 4.1Å; I298-F314 HydrophobicContact CG1-CZ 3.54Å; I298-F314 HydrophobicContact CG2-CZ 4.29Å; I298-F335 CarbonylContact O-C 3.5Å; I298-F335 WeakPolarHBondContact O-CA 3.44Å; I298-F335 VanDerWaalsContact O-CB 3.25Å; I298-F335 WeakPolarHBondContact O-CB 3.34Å; I298-G336 PolarHBondContact N-O 2.82Å; I298-G336 PolarHBondContact O-N 2.85Å; I298-V338 HydrophobicContact CD1-CB 3.88Å; I298-V338 HydrophobicContact CD1-CG2 3.65Å; I298-V338 HydrophobicContact CG1-CG2 4.42Å; I298-L363 HydrophobicContact CG2-CD1 4.26Å; I298-L363 HydrophobicContact CG2-CD2 4.3Å; I298-Y364 CarbonylContact C-O 3.58Å; I298-Y364 WeakPolarHBondContact CA-O 3.35Å; I298-V365 HydrophobicContact CG1-CG1 4.38Å; I298-V365 HydrophobicContact CG1-CG2 4.33Å; I298-V365 HydrophobicContact CG2-CG2 4.35Å
299	K	93.1	Very high	88.4	Confident	109 Å²	109	64.6 Å²	64.6	47%	0.474	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.4	178.2	-160.6	-155.9	171.8	-159.1	0	109.9	Y297 L301 G334 F335 Y364	Y297-K299 HydrophobicContact CD1-CB 4.48Å; Y297-K299 HydrophobicContact CE1-CB 3.72Å; Y297-K299 HydrophobicContact CE1-CD 4.39Å; Y297-K299 HydrophobicContact CE1-CG 4.19Å; Y297-K299 WeakPolarHBondContact OH-CG 3.41Å; K299-L301 VanDerWaalsContact C-N 3.29Å; K299-G334 CarbonylContact C-O 3.51Å; K299-F335 HydrophobicContact CB-CB 4.31Å; K299-F335 HydrophobicContact CG-CB 4.1Å; K299-Y364 HydrophobicContact CB-CD1 4.01Å; K299-Y364 PolarHBondContact N-O 3.33Å; K299-Y364 PolarHBondContact O-N 3.43Å
300	N	91.1	Very high	89.2	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	66.2	33.1	-176.1	-151.2	42.1	0	0	0	112.3	G334 K361 P362	N300-G334 PolarHBondContact N-O 3.31Å; N300-K361 VanDerWaalsContact O-CB 3.31Å; N300-K361 WeakPolarHBondContact O-CB 3.42Å; N300-P362 WeakPolarHBondContact CB-O 3.2Å; N300-P362 PolarHBondContact ND2-O 2.88Å
301	L	91.9	Very high	90	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.292	C	S	.	.			trans	-59.5	141.3	168.2	-66.3	175.1	0	0	0	109.6	I298 K299 I305 L310 V325 G334 K361 L363	I298-L301 HydrophobicContact CG2-CD2 3.63Å; I298-L301 HydrophobicContact CG2-CG 4.16Å; K299-L301 VanDerWaalsContact C-N 3.29Å; L301-I305 HydrophobicContact CD2-CG2 4.15Å; L301-L310 HydrophobicContact CD2-CD1 4.03Å; L301-V325 HydrophobicContact CD1-CG1 4.07Å; L301-V325 HydrophobicContact CD1-CG2 3.99Å; L301-G334 PolarHBondContact N-O 3.34Å; L301-K361 PolarHBondContact O-NZ 3.27Å; L301-L363 HydrophobicContact CD2-CD2 3.86Å
302	D	89.6	Confident	90.8	Very high	16 Å²	16	62.3 Å²	62.3	9%	0.086	31%	0.305	C	S	.	.			trans	-67.6	144	164.5	-169.3	-72.4	0	0	0	109.9	T304 I305 S360	D302-T304 PolarHBondContact O-N 3.24Å; D302-T304 VanDerWaalsContact O-N 3.14Å; D302-T304 WeakPolarHBondContact OD1-CB 3.46Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.21Å; D302-T304 PolarHBondContact OD1-N 3.07Å; D302-T304 PolarHBondContact OD1-OG1 3.29Å; D302-I305 HydrophobicContact CB-CG1 4.02Å; D302-I305 WeakPolarHBondContact O-CB 3.36Å; D302-I305 PolarHBondContact O-N 2.92Å; D302-S360 WeakPolarHBondContact OD2-CB 3.27Å; D302-S360 PolarHBondContact OD2-N 3.41Å; D302-S360 PolarHBondContact OD2-OG 2.96Å
303	D	87.6	Confident	91.5	Very high	108 Å²	108	59.3 Å²	59.3	58%	0.578	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.5	-175.6	-61.6	50.1	0	0	0	111.8	I305 K361	D303-I305 VanDerWaalsContact C-N 3.35Å; D303-K361 IonicContact OD1-NZ 2.67Å; D303-K361 PolarHBondContact OD1-NZ 3.4Å
304	T	87.4	Confident	92.1	Very high	89 Å²	89	58.2 Å²	58.2	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.3	174.7	63.6	0	0	0	0	114.6	D302 K309	D302-T304 PolarHBondContact O-N 3.24Å; D302-T304 VanDerWaalsContact O-N 3.14Å; D302-T304 WeakPolarHBondContact OD1-CB 3.46Å; D302-T304 WeakPolarHBondContact OD1-CG2 3.21Å; D302-T304 PolarHBondContact OD1-N 3.07Å; D302-T304 PolarHBondContact OD1-OG1 3.29Å; T304-K309 WeakPolarHBondContact O-CD 3.48Å; T304-K309 PolarHBondContact O-NZ 2.7Å
305	I	90.1	Very high	92.4	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.087	30%	0.295	C	S	.	.			trans	-90.7	118.8	178.7	-56.9	-63	0	0	0	110.9	L301 D302 D303 K309 L310 V358	L301-I305 HydrophobicContact CD2-CG2 4.15Å; D302-I305 HydrophobicContact CB-CG1 4.02Å; D302-I305 WeakPolarHBondContact O-CB 3.36Å; D302-I305 PolarHBondContact O-N 2.92Å; D303-I305 VanDerWaalsContact C-N 3.35Å; I305-K309 HydrophobicContact CD1-CB 4.19Å; I305-K309 HydrophobicContact CD1-CD 4.1Å; I305-K309 HydrophobicContact CG2-CB 4.16Å; I305-L310 HydrophobicContact CG2-CB 4.07Å; I305-V358 HydrophobicContact CD1-CG1 4.02Å
306	D	92.1	Very high	92.5	Very high	62 Å²	62	62.9 Å²	62.9	33%	0.332	31%	0.313	S	S	.	.			trans	-102.9	178.5	174.7	50.8	53.5	0	0	0	111.6	E308 K309 L310	D306-E308 PolarHBondContact O-N 3Å; D306-E308 PolarHBondContact OD1-N 2.95Å; D306-K309 PolarHBondContact O-N 3.42Å; D306-K309 WeakPolarHBondContact OD1-CB 3.36Å; D306-K309 WeakPolarHBondContact OD1-CG 3.36Å; D306-K309 PolarHBondContact OD1-N 3.25Å; D306-K309 WeakPolarHBondContact OD2-CE 3.48Å; D306-K309 IonicContact OD2-NZ 2.73Å; D306-K309 PolarHBondContact OD2-NZ 2.86Å; D306-L310 VanDerWaalsContact O-CB 3.25Å; D306-L310 WeakPolarHBondContact O-CB 3.37Å; D306-L310 PolarHBondContact O-N 3.42Å
307	D	93.4	Very high	92.4	Very high	63 Å²	63	63.7 Å²	63.7	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-33.8	-179.9	-70.9	12.2	0	0	0	112.5	R311 V325	D307-R311 VanDerWaalsContact O-CB 3.31Å; D307-R311 WeakPolarHBondContact O-CB 3.39Å; D307-R311 PolarHBondContact O-N 3.49Å; D307-V325 WeakPolarHBondContact OD1-CB 3.48Å; D307-V325 PolarHBondContact OD1-N 2.93Å
308	E	93.2	Very high	92.3	Very high	163 Å²	163	62.6 Å²	62.6	76%	0.762	32%	0.318	S	S	*	.	H	α-helix	trans	-76.7	-46.5	-178.7	-64.2	-164.4	164.9	0	0	112.2	D306 L310 R311 K312	D306-E308 PolarHBondContact O-N 3Å; D306-E308 PolarHBondContact OD1-N 2.95Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-R311 PolarHBondContact O-N 2.77Å; E308-K312 WeakPolarHBondContact O-CB 3.44Å; E308-K312 PolarHBondContact O-N 2.84Å
309	K	91.9	Very high	92.3	Very high	91 Å²	91	66.2 Å²	66.2	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-43.6	172.9	-69.8	174.3	-169.5	123.7	0	110.7	T304 I305 D306 R311 K312 E313	T304-K309 WeakPolarHBondContact O-CD 3.48Å; T304-K309 PolarHBondContact O-NZ 2.7Å; I305-K309 HydrophobicContact CD1-CB 4.19Å; I305-K309 HydrophobicContact CD1-CD 4.1Å; I305-K309 HydrophobicContact CG2-CB 4.16Å; D306-K309 PolarHBondContact O-N 3.42Å; D306-K309 WeakPolarHBondContact OD1-CB 3.36Å; D306-K309 WeakPolarHBondContact OD1-CG 3.36Å; D306-K309 PolarHBondContact OD1-N 3.25Å; D306-K309 WeakPolarHBondContact OD2-CE 3.48Å; D306-K309 IonicContact OD2-NZ 2.73Å; D306-K309 PolarHBondContact OD2-NZ 2.86Å; K309-R311 VanDerWaalsContact C-N 3.31Å; K309-R311 PolarHBondContact O-N 2.99Å; K309-K312 PolarHBondContact O-N 3.4Å; K309-K312 VanDerWaalsContact O-N 3.16Å; K309-E313 WeakPolarHBondContact O-CG 3.34Å; K309-E313 PolarHBondContact O-N 3.43Å
310	L	93.6	Very high	92.3	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-42.3	174.9	-178.5	61.4	0	0	0	111.3	I298 L301 I305 D306 E308 F314 A323 V325 V338	I298-L310 HydrophobicContact CG1-CD1 4.4Å; I298-L310 HydrophobicContact CG2-CD1 4.49Å; L301-L310 HydrophobicContact CD2-CD1 4.03Å; I305-L310 HydrophobicContact CG2-CB 4.07Å; D306-L310 VanDerWaalsContact O-CB 3.25Å; D306-L310 WeakPolarHBondContact O-CB 3.37Å; D306-L310 PolarHBondContact O-N 3.42Å; E308-L310 VanDerWaalsContact C-N 3.34Å; L310-F314 HydrophobicContact CD1-CD2 3.8Å; L310-F314 HydrophobicContact CD1-CE2 3.72Å; L310-F314 WeakPolarHBondContact O-CD2 3.33Å; L310-F314 PolarHBondContact O-N 2.91Å; L310-A323 HydrophobicContact CG-CB 4.46Å; L310-V325 HydrophobicContact CB-CG2 4.34Å; L310-V325 HydrophobicContact CD2-CG2 3.86Å; L310-V338 HydrophobicContact CD1-CG2 3.98Å; L310-V338 HydrophobicContact CD2-CG2 3.97Å; L310-V338 HydrophobicContact CG-CG2 3.74Å
311	R	94.9	Very high	92.4	Very high	123 Å²	123	62.2 Å²	62.2	46%	0.464	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-37.7	174.8	-165.8	169.3	-169.1	-88.2	-4.5	112.5	D307 E308 K309 S315 I320 A323	D307-R311 VanDerWaalsContact O-CB 3.31Å; D307-R311 WeakPolarHBondContact O-CB 3.39Å; D307-R311 PolarHBondContact O-N 3.49Å; E308-R311 PolarHBondContact O-N 2.77Å; K309-R311 VanDerWaalsContact C-N 3.31Å; K309-R311 PolarHBondContact O-N 2.99Å; R311-S315 WeakPolarHBondContact O-CB 3.39Å; R311-S315 PolarHBondContact O-N 2.97Å; R311-I320 HydrophobicContact CG-CB 4.21Å; R311-I320 HydrophobicContact CG-CD1 3.86Å; R311-I320 HydrophobicContact CG-CG2 4.08Å; R311-I320 PolarHBondContact NH2-O 3.33Å; R311-I320 VanDerWaalsContact O-CD1 3.25Å; R311-I320 WeakPolarHBondContact O-CD1 3.49Å; R311-A323 HydrophobicContact CB-CB 3.89Å; R311-A323 HydrophobicContact CG-CB 4.29Å
312	K	93.9	Very high	92.3	Very high	151 Å²	151	65.5 Å²	65.5	66%	0.657	35%	0.354	S	S	*	.	H	α-helix	trans	-68.8	-43.6	-179.8	-173.6	-179.1	178.5	-176.5	0	112.5	E308 K309 F314 S315	E308-K312 WeakPolarHBondContact O-CB 3.44Å; E308-K312 PolarHBondContact O-N 2.84Å; K309-K312 PolarHBondContact O-N 3.4Å; K309-K312 VanDerWaalsContact O-N 3.16Å; K312-F314 VanDerWaalsContact C-N 3.3Å; K312-F314 PolarHBondContact O-N 3.24Å; K312-S315 PolarHBondContact O-OG 3.19Å
313	E	92.8	Very high	92.5	Very high	63 Å²	63	65.4 Å²	65.4	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-28.2	179.1	-71.3	-57.9	131.3	0	0	112.8	K309 F317 M353 V358	K309-E313 WeakPolarHBondContact O-CG 3.34Å; K309-E313 PolarHBondContact O-N 3.43Å; E313-F317 WeakPolarHBondContact O-CE2 3.05Å; E313-M353 HydrophobicContact CB-CE 4.02Å; E313-V358 HydrophobicContact CG-CG1 4.07Å
314	F	94.5	Very high	92.9	Very high	1 Å²	1	65.9 Å²	65.9	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-96.3	-12.5	-179	-80.3	-102.3	0	0	0	114.6	L296 I298 L310 K312 F317 I320 V338 F340 A349 M353 L363 V365	L296-F314 HydrophobicContact CD1-CE1 4.46Å; I298-F314 HydrophobicContact CD1-CE1 4.46Å; I298-F314 HydrophobicContact CD1-CZ 4.44Å; I298-F314 HydrophobicContact CG1-CE1 3.98Å; I298-F314 HydrophobicContact CG1-CE2 4.1Å; I298-F314 HydrophobicContact CG1-CZ 3.54Å; I298-F314 HydrophobicContact CG2-CZ 4.29Å; L310-F314 HydrophobicContact CD1-CD2 3.8Å; L310-F314 HydrophobicContact CD1-CE2 3.72Å; L310-F314 WeakPolarHBondContact O-CD2 3.33Å; L310-F314 PolarHBondContact O-N 2.91Å; K312-F314 VanDerWaalsContact C-N 3.3Å; K312-F314 PolarHBondContact O-N 3.24Å; F314-F317 WeakPolarHBondContact O-CD2 3.5Å; F314-F317 PolarHBondContact O-N 3.46Å; F314-I320 HydrophobicContact CB-CD1 3.65Å; F314-V338 HydrophobicContact CB-CG1 4.09Å; F314-V338 HydrophobicContact CB-CG2 4.44Å; F314-V338 HydrophobicContact CD1-CG1 4.49Å; F314-V338 HydrophobicContact CD1-CG2 4.45Å; F314-V338 HydrophobicContact CD2-CG2 4.43Å; F314-V338 HydrophobicContact CG-CG1 4.44Å; F314-V338 HydrophobicContact CG-CG2 4.18Å; F314-F340 HydrophobicContact CB-CZ 4.14Å; F314-F340 HydrophobicContact CD1-CE2 4.37Å; F314-F340 HydrophobicContact CD1-CZ 4.22Å; F314-F340 WeakPolarHBondContact O-CZ 3.5Å; F314-A349 HydrophobicContact CD1-CB 4.26Å; F314-M353 HydrophobicContact CD1-CG 4.29Å; F314-M353 HydrophobicContact CD2-CE 3.96Å; F314-M353 HydrophobicContact CE1-CB 3.85Å; F314-M353 HydrophobicContact CE1-CG 3.88Å; F314-M353 HydrophobicContact CE2-CE 3.65Å; F314-M353 HydrophobicContact CZ-CB 3.83Å; F314-M353 HydrophobicContact CZ-CE 3.97Å; F314-M353 HydrophobicContact CZ-CG 4.05Å; F314-L363 HydrophobicContact CE2-CD1 4.02Å; F314-L363 HydrophobicContact CZ-CD1 4.21Å; F314-V365 HydrophobicContact CE1-CG1 4.08Å; F314-V365 HydrophobicContact CE1-CG2 4.26Å; F314-V365 HydrophobicContact CZ-CG1 4.46Å; F314-V365 HydrophobicContact CZ-CG2 3.88Å
315	S	94.6	Very high	93.1	Very high	61 Å²	61	61.8 Å²	61.8	43%	0.427	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-64.8	-24.7	-179.6	68.8	0	0	0	0	116.1	R311 K312 F317 G318	R311-S315 WeakPolarHBondContact O-CB 3.39Å; R311-S315 PolarHBondContact O-N 2.97Å; K312-S315 PolarHBondContact O-OG 3.19Å; S315-F317 PolarHBondContact O-N 3.47Å; S315-F317 VanDerWaalsContact O-N 3.13Å; S315-G318 PolarHBondContact O-N 3.32Å
316	P	94.9	Very high	93.2	Very high	87 Å²	87	64.1 Å²	64.1	57%	0.565	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-65	-13	174.7	-24.2	36.1	0	0	0	114.8
317	F	92.1	Very high	93.2	Very high	16 Å²	16	66.2 Å²	66.2	7%	0.07	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-100.7	-12.3	-175.9	-50.6	-74.9	0	0	0	113.6	E313 F314 S315 F340 E345 K348 A349 E352 M353	E313-F317 WeakPolarHBondContact O-CE2 3.05Å; F314-F317 WeakPolarHBondContact O-CD2 3.5Å; F314-F317 PolarHBondContact O-N 3.46Å; S315-F317 PolarHBondContact O-N 3.47Å; S315-F317 VanDerWaalsContact O-N 3.13Å; F317-F340 HydrophobicContact CB-CE1 4.33Å; F317-F340 HydrophobicContact CB-CZ 4.22Å; F317-E345 WeakPolarHBondContact O-CB 3.3Å; F317-K348 HydrophobicContact CD1-CD 4.4Å; F317-K348 HydrophobicContact CD1-CG 4.34Å; F317-A349 HydrophobicContact CB-CB 3.72Å; F317-A349 HydrophobicContact CD2-CB 4.36Å; F317-A349 HydrophobicContact CG-CB 4.04Å; F317-E352 HydrophobicContact CD1-CB 4.19Å; F317-E352 HydrophobicContact CE1-CB 3.54Å; F317-E352 HydrophobicContact CE1-CG 4.25Å; F317-E352 WeakPolarHBondContact CE1-OE2 3.29Å; F317-E352 HydrophobicContact CZ-CB 4.19Å; F317-M353 HydrophobicContact CD2-CG 3.99Å; F317-M353 HydrophobicContact CD2-SD 4.46Å; F317-M353 HydrophobicContact CE2-CE 4.29Å; F317-M353 HydrophobicContact CE2-CG 3.4Å; F317-M353 VanDerWaalsContact CE2-CG 3.4Å; F317-M353 HydrophobicContact CE2-SD 3.38Å; F317-M353 WeakPolarHBondContact CE2-SD 3.25Å; F317-M353 HydrophobicContact CZ-CG 3.73Å; F317-M353 HydrophobicContact CZ-SD 3.55Å; F317-M353 VanDerWaalsContact CZ-SD 3.55Å
318	G	91.8	Very high	92.9	Very high	21 Å²	21	68.5 Å²	68.5	22%	0.216	36%	0.357	C	S	.	.	S	Bend	trans	163.4	179.9	-178.6	0	0	0	0	0	115	S315 I320 E345	S315-G318 PolarHBondContact O-N 3.32Å; G318-I320 PolarHBondContact O-N 3.44Å; G318-E345 WeakPolarHBondContact CA-OE2 3.24Å
319	S	93.1	Very high	92.5	Very high	76 Å²	76	70.3 Å²	70.3	53%	0.531	37%	0.366	S	S	.	.			trans	-84.4	109.4	179.6	-167.1	0	0	0	0	111	T321 F340 S341 E345	S319-T321 PolarHBondContact O-N 3.3Å; S319-F340 CarbonylContact O-C 3.6Å; S319-F340 WeakPolarHBondContact O-CA 3.49Å; S319-S341 WeakPolarHBondContact CB-OG 3.24Å; S319-S341 PolarHBondContact O-N 3.4Å; S319-E345 PolarHBondContact N-OE2 3.46Å
320	I	94.6	Very high	91.9	Very high	6 Å²	6	69.2 Å²	69.2	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.2	-177.3	-63.1	169.3	0	0	0	110.4	R311 F314 G318 S322 A323 V338 F340	R311-I320 HydrophobicContact CG-CB 4.21Å; R311-I320 HydrophobicContact CG-CD1 3.86Å; R311-I320 HydrophobicContact CG-CG2 4.08Å; R311-I320 PolarHBondContact NH2-O 3.33Å; R311-I320 VanDerWaalsContact O-CD1 3.25Å; R311-I320 WeakPolarHBondContact O-CD1 3.49Å; F314-I320 HydrophobicContact CB-CD1 3.65Å; G318-I320 PolarHBondContact O-N 3.44Å; I320-S322 VanDerWaalsContact CG2-C 3.41Å; I320-S322 VanDerWaalsContact CG2-O 3.3Å; I320-S322 WeakPolarHBondContact CG2-O 3.5Å; I320-A323 HydrophobicContact CG2-CB 4.01Å; I320-V338 HydrophobicContact CB-CG1 4.47Å; I320-V338 HydrophobicContact CD1-CG1 3.83Å; I320-V338 HydrophobicContact CG1-CG1 3.78Å; I320-V338 HydrophobicContact CG2-CG1 3.89Å; I320-F340 HydrophobicContact CD1-CE1 4.42Å; I320-F340 HydrophobicContact CG1-CD1 4.1Å; I320-F340 HydrophobicContact CG1-CE1 3.7Å; I320-F340 HydrophobicContact CG1-CZ 4.17Å
321	T	91.6	Very high	91.4	Very high	90 Å²	90	78.7 Å²	78.7	55%	0.552	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	-30.8	172.7	66	0	0	0	0	112.5	S319 C339	S319-T321 PolarHBondContact O-N 3.3Å; T321-C339 PolarHBondContact N-O 3.14Å; T321-C339 WeakPolarHBondContact OG1-CB 3.29Å; T321-C339 PolarHBondContact OG1-O 2.75Å
322	S	90.9	Very high	91.1	Very high	69 Å²	69	73.9 Å²	73.9	48%	0.483	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	137	174.3	-173.2	0	0	0	0	110.5	I320 V338 C339	I320-S322 VanDerWaalsContact CG2-C 3.41Å; I320-S322 VanDerWaalsContact CG2-O 3.3Å; I320-S322 WeakPolarHBondContact CG2-O 3.5Å; S322-V338 CarbonylContact O-C 3.57Å; S322-V338 WeakPolarHBondContact O-CA 3.47Å; S322-C339 PolarHBondContact N-O 2.78Å; S322-C339 PolarHBondContact O-N 3.47Å
323	A	94.1	Very high	90.9	Very high	14 Å²	14	70.5 Å²	70.5	12%	0.116	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	164.4	0	0	0	0	0	107.9	L310 R311 I320 F337 V338	L310-A323 HydrophobicContact CG-CB 4.46Å; R311-A323 HydrophobicContact CB-CB 3.89Å; R311-A323 HydrophobicContact CG-CB 4.29Å; I320-A323 HydrophobicContact CG2-CB 4.01Å; A323-F337 CarbonylContact C-O 3.56Å; A323-F337 WeakPolarHBondContact CA-O 3.36Å; A323-V338 HydrophobicContact CB-CG2 4.13Å
324	K	94.3	Very high	90.7	Very high	119 Å²	119	68.1 Å²	68.1	52%	0.517	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	123.9	178.3	-176	153.5	-170.6	155.8	0	113.3	G336 F337	K324-G336 CarbonylContact O-C 3.58Å; K324-G336 WeakPolarHBondContact O-CA 3.26Å; K324-F337 PolarHBondContact N-O 3.39Å; K324-F337 PolarHBondContact O-N 3.33Å
325	V	93.6	Very high	90.6	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.4	167.1	-176.1	0	0	0	0	109.1	L301 D307 L310 L327 S332	L301-V325 HydrophobicContact CD1-CG1 4.07Å; L301-V325 HydrophobicContact CD1-CG2 3.99Å; D307-V325 WeakPolarHBondContact OD1-CB 3.48Å; D307-V325 PolarHBondContact OD1-N 2.93Å; L310-V325 HydrophobicContact CB-CG2 4.34Å; L310-V325 HydrophobicContact CD2-CG2 3.86Å; V325-L327 HydrophobicContact CG1-CD2 4.32Å; V325-S332 WeakPolarHBondContact CG1-OG 3.29Å
326	M	91.7	Very high	90.6	Very high	65 Å²	65	67.7 Å²	67.7	32%	0.32	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.9	178	-66.9	-59.8	-56.9	0	0	109.9	K333 F335 F337	M326-K333 HydrophobicContact CB-CD 4.09Å; M326-K333 VanDerWaalsContact O-CB 3.23Å; M326-K333 WeakPolarHBondContact O-CB 3.25Å; M326-K333 WeakPolarHBondContact O-CG 3.16Å; M326-K333 PolarHBondContact O-N 2.59Å; M326-F335 HydrophobicContact CB-CD2 4.09Å; M326-F335 HydrophobicContact CB-CE1 4.47Å; M326-F335 HydrophobicContact CB-CE2 3.74Å; M326-F335 HydrophobicContact CB-CZ 3.94Å; M326-F335 HydrophobicContact CG-CD2 3.94Å; M326-F335 HydrophobicContact CG-CE2 3.5Å; M326-F335 VanDerWaalsContact CG-CE2 3.5Å; M326-F335 HydrophobicContact CG-CZ 4.11Å; M326-F335 PolarHBondContact N-O 3.36Å; M326-F337 HydrophobicContact CG-CD2 4.17Å; M326-F337 HydrophobicContact CG-CE2 3.91Å; M326-F337 HydrophobicContact SD-CD2 4.42Å; M326-F337 HydrophobicContact SD-CE2 4.29Å
327	L	91.5	Very high	90.6	Very high	106 Å²	106	66.6 Å²	66.6	56%	0.555	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	156.5	178.5	-55.8	177.3	0	0	0	112.2	V325 R331	V325-L327 HydrophobicContact CG1-CD2 4.32Å; L327-R331 CarbonylContact C-O 3.52Å; L327-R331 WeakPolarHBondContact CA-O 3.44Å
328	E	87.5	Confident	90.8	Very high	111 Å²	111	65.9 Å²	65.9	52%	0.519	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.4	168.4	-172.4	142.5	-107.7	0	0	107.7	G330 R331 K333	E328-G330 PolarHBondContact O-N 3.32Å; E328-R331 PolarHBondContact N-O 2.92Å; E328-R331 PolarHBondContact O-N 2.98Å; E328-K333 HydrophobicContact CB-CD 4.41Å; E328-K333 HydrophobicContact CB-CG 3.85Å; E328-K333 IonicContact OE1-NZ 3.56Å; E328-K333 PolarHBondContact OE1-NZ 3.18Å; E328-K333 IonicContact OE2-NZ 2.66Å; E328-K333 PolarHBondContact OE2-NZ 2.93Å
329	E	83.9	Confident	90.8	Very high	201 Å²	201	65.1 Å²	65.1	94%	0.939	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	33.6	179.5	-56.8	-176.9	164.8	0	0	113.9
330	G	80.5	Confident	90.9	Very high	68 Å²	68	61.7 Å²	61.7	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-5.8	-178	0	0	0	0	0	115.8	E328	E328-G330 PolarHBondContact O-N 3.32Å
331	R	82.9	Confident	90.7	Very high	201 Å²	201	64.6 Å²	64.6	76%	0.758	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	152.1	176.8	-60.2	-177.9	-175.9	169.1	3.3	111.5	L327 E328	L327-R331 CarbonylContact C-O 3.52Å; L327-R331 WeakPolarHBondContact CA-O 3.44Å; E328-R331 PolarHBondContact N-O 2.92Å; E328-R331 PolarHBondContact O-N 2.98Å
332	S	88.5	Confident	90.7	Very high	22 Å²	22	61.7 Å²	61.7	15%	0.154	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.2	175.4	-177.2	0	0	0	0	111.5	V325 G334	V325-S332 WeakPolarHBondContact CG1-OG 3.29Å; S332-G334 PolarHBondContact O-N 2.89Å; S332-G334 VanDerWaalsContact O-N 3.17Å; S332-G334 PolarHBondContact OG-N 2.99Å; S332-G334 VanDerWaalsContact OG-N 3.12Å
333	K	90	Very high	90.7	Very high	80 Å²	80	61.4 Å²	61.4	35%	0.348	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	6.6	167.6	-66.5	174.3	171.7	-73.2	0	112.8	M326 E328 F335	M326-K333 HydrophobicContact CB-CD 4.09Å; M326-K333 VanDerWaalsContact O-CB 3.23Å; M326-K333 WeakPolarHBondContact O-CB 3.25Å; M326-K333 WeakPolarHBondContact O-CG 3.16Å; M326-K333 PolarHBondContact O-N 2.59Å; E328-K333 HydrophobicContact CB-CD 4.41Å; E328-K333 HydrophobicContact CB-CG 3.85Å; E328-K333 IonicContact OE1-NZ 3.56Å; E328-K333 PolarHBondContact OE1-NZ 3.18Å; E328-K333 IonicContact OE2-NZ 2.66Å; E328-K333 PolarHBondContact OE2-NZ 2.93Å; K333-F335 HydrophobicContact CB-CD1 3.68Å; K333-F335 HydrophobicContact CB-CE1 3.6Å; K333-F335 HydrophobicContact CD-CE1 3.77Å; K333-F335 HydrophobicContact CD-CZ 4.07Å; K333-F335 HydrophobicContact CG-CE1 4.34Å; K333-F335 WeakPolarHBondContact O-CD1 3.25Å; K333-F335 PolarHBondContact O-N 3.41Å
334	G	88	Confident	90.6	Very high	14 Å²	14	68.3 Å²	68.3	14%	0.144	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.5	18.7	-175.6	0	0	0	0	0	113.9	K299 N300 L301 S332	K299-G334 CarbonylContact C-O 3.51Å; N300-G334 PolarHBondContact N-O 3.31Å; L301-G334 PolarHBondContact N-O 3.34Å; S332-G334 PolarHBondContact O-N 2.89Å; S332-G334 VanDerWaalsContact O-N 3.17Å; S332-G334 PolarHBondContact OG-N 2.99Å; S332-G334 VanDerWaalsContact OG-N 3.12Å
335	F	93.5	Very high	90.6	Very high	53 Å²	53	64.5 Å²	64.5	23%	0.232	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158	175.6	78	-96.4	0	0	0	113.1	Y297 I298 K299 M326 K333 F337	Y297-F335 HydrophobicContact CD2-CD2 4.21Å; Y297-F335 HydrophobicContact CE2-CB 4.02Å; Y297-F335 AromaticContact CE2-CD2 3.45Å; Y297-F335 HydrophobicContact CE2-CD2 3.45Å; Y297-F335 VanDerWaalsContact CE2-CD2 3.45Å; Y297-F335 HydrophobicContact CE2-CE2 4.03Å; Y297-F335 AromaticContact CE2-CG 3.89Å; Y297-F335 HydrophobicContact CE2-CG 3.89Å; I298-F335 CarbonylContact O-C 3.5Å; I298-F335 WeakPolarHBondContact O-CA 3.44Å; I298-F335 VanDerWaalsContact O-CB 3.25Å; I298-F335 WeakPolarHBondContact O-CB 3.34Å; K299-F335 HydrophobicContact CB-CB 4.31Å; K299-F335 HydrophobicContact CG-CB 4.1Å; M326-F335 HydrophobicContact CB-CD2 4.09Å; M326-F335 HydrophobicContact CB-CE1 4.47Å; M326-F335 HydrophobicContact CB-CE2 3.74Å; M326-F335 HydrophobicContact CB-CZ 3.94Å; M326-F335 HydrophobicContact CG-CD2 3.94Å; M326-F335 HydrophobicContact CG-CE2 3.5Å; M326-F335 VanDerWaalsContact CG-CE2 3.5Å; M326-F335 HydrophobicContact CG-CZ 4.11Å; M326-F335 PolarHBondContact N-O 3.36Å; K333-F335 HydrophobicContact CB-CD1 3.68Å; K333-F335 HydrophobicContact CB-CE1 3.6Å; K333-F335 HydrophobicContact CD-CE1 3.77Å; K333-F335 HydrophobicContact CD-CZ 4.07Å; K333-F335 HydrophobicContact CG-CE1 4.34Å; K333-F335 WeakPolarHBondContact O-CD1 3.25Å; K333-F335 PolarHBondContact O-N 3.41Å; F335-F337 HydrophobicContact CD2-CE2 4.38Å; F335-F337 HydrophobicContact CE2-CE2 4.05Å; F335-F337 HydrophobicContact CE2-CZ 4.34Å
336	G	93.9	Very high	90.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-173.9	179.3	0	0	0	0	0	112.2	I298 K324	I298-G336 PolarHBondContact N-O 2.82Å; I298-G336 PolarHBondContact O-N 2.85Å; K324-G336 CarbonylContact O-C 3.58Å; K324-G336 WeakPolarHBondContact O-CA 3.26Å
337	F	95.1	Very high	90.5	Very high	64 Å²	64	65 Å²	65	28%	0.281	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.8	178.4	-60.3	-87.5	0	0	0	110.9	L296 Y297 A323 K324 M326 F335 A368	L296-F337 WeakPolarHBondContact O-CA 3.4Å; L296-F337 WeakPolarHBondContact O-CD1 3.39Å; Y297-F337 HydrophobicContact CD2-CD1 4.32Å; Y297-F337 AromaticContact CD2-CE1 3.7Å; Y297-F337 HydrophobicContact CD2-CE1 3.7Å; Y297-F337 AromaticContact CD2-CZ 3.96Å; Y297-F337 HydrophobicContact CD2-CZ 3.96Å; Y297-F337 HydrophobicContact CG-CE1 4.44Å; A323-F337 CarbonylContact C-O 3.56Å; A323-F337 WeakPolarHBondContact CA-O 3.36Å; K324-F337 PolarHBondContact N-O 3.39Å; K324-F337 PolarHBondContact O-N 3.33Å; M326-F337 HydrophobicContact CG-CD2 4.17Å; M326-F337 HydrophobicContact CG-CE2 3.91Å; M326-F337 HydrophobicContact SD-CD2 4.42Å; M326-F337 HydrophobicContact SD-CE2 4.29Å; F335-F337 HydrophobicContact CD2-CE2 4.38Å; F335-F337 HydrophobicContact CE2-CE2 4.05Å; F335-F337 HydrophobicContact CE2-CZ 4.34Å; F337-A368 HydrophobicContact CD1-CB 3.97Å; F337-A368 HydrophobicContact CE1-CB 4.07Å
338	V	95.3	Very high	90.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.6	172.2	-179.8	0	0	0	0	108.2	N295 L296 I298 L310 F314 I320 S322 A323 F340	N295-V338 PolarHBondContact OD1-O 2.84Å; L296-V338 WeakPolarHBondContact CB-O 3.29Å; L296-V338 PolarHBondContact N-O 3.19Å; L296-V338 PolarHBondContact O-N 2.71Å; L296-V338 VanDerWaalsContact O-N 3.15Å; I298-V338 HydrophobicContact CD1-CB 3.88Å; I298-V338 HydrophobicContact CD1-CG2 3.65Å; I298-V338 HydrophobicContact CG1-CG2 4.42Å; L310-V338 HydrophobicContact CD1-CG2 3.98Å; L310-V338 HydrophobicContact CD2-CG2 3.97Å; L310-V338 HydrophobicContact CG-CG2 3.74Å; F314-V338 HydrophobicContact CB-CG1 4.09Å; F314-V338 HydrophobicContact CB-CG2 4.44Å; F314-V338 HydrophobicContact CD1-CG1 4.49Å; F314-V338 HydrophobicContact CD1-CG2 4.45Å; F314-V338 HydrophobicContact CD2-CG2 4.43Å; F314-V338 HydrophobicContact CG-CG1 4.44Å; F314-V338 HydrophobicContact CG-CG2 4.18Å; I320-V338 HydrophobicContact CB-CG1 4.47Å; I320-V338 HydrophobicContact CD1-CG1 3.83Å; I320-V338 HydrophobicContact CG1-CG1 3.78Å; I320-V338 HydrophobicContact CG2-CG1 3.89Å; S322-V338 CarbonylContact O-C 3.57Å; S322-V338 WeakPolarHBondContact O-CA 3.47Å; A323-V338 HydrophobicContact CB-CG2 4.13Å; V338-F340 HydrophobicContact CG1-CD2 4.31Å; V338-F340 HydrophobicContact CG1-CE2 3.8Å; V338-F340 HydrophobicContact CG1-CZ 4.04Å
339	C	92.8	Very high	90.9	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.4	179.3	-169.8	0	0	0	0	110.6	V294 N295 T321 S322	V294-C339 WeakPolarHBondContact O-CA 3.38Å; N295-C339 HydrophobicContact CB-CB 4.33Å; T321-C339 PolarHBondContact N-O 3.14Å; T321-C339 WeakPolarHBondContact OG1-CB 3.29Å; T321-C339 PolarHBondContact OG1-O 2.75Å; S322-C339 PolarHBondContact N-O 2.78Å; S322-C339 PolarHBondContact O-N 3.47Å
340	F	94.5	Very high	91.4	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	172.9	176.5	-73	-81.7	0	0	0	112.3	V294 L296 F314 F317 S319 I320 V338 E345 A346 A349	V294-F340 PolarHBondContact O-N 3.12Å; L296-F340 HydrophobicContact CD1-CD2 4.23Å; L296-F340 HydrophobicContact CD1-CE2 3.77Å; L296-F340 HydrophobicContact CG-CD2 4.41Å; L296-F340 HydrophobicContact CG-CE2 4.37Å; F314-F340 HydrophobicContact CB-CZ 4.14Å; F314-F340 HydrophobicContact CD1-CE2 4.37Å; F314-F340 HydrophobicContact CD1-CZ 4.22Å; F314-F340 WeakPolarHBondContact O-CZ 3.5Å; F317-F340 HydrophobicContact CB-CE1 4.33Å; F317-F340 HydrophobicContact CB-CZ 4.22Å; S319-F340 CarbonylContact O-C 3.6Å; S319-F340 WeakPolarHBondContact O-CA 3.49Å; I320-F340 HydrophobicContact CD1-CE1 4.42Å; I320-F340 HydrophobicContact CG1-CD1 4.1Å; I320-F340 HydrophobicContact CG1-CE1 3.7Å; I320-F340 HydrophobicContact CG1-CZ 4.17Å; V338-F340 HydrophobicContact CG1-CD2 4.31Å; V338-F340 HydrophobicContact CG1-CE2 3.8Å; V338-F340 HydrophobicContact CG1-CZ 4.04Å; F340-E345 HydrophobicContact CB-CB 3.94Å; F340-E345 HydrophobicContact CD1-CB 3.88Å; F340-E345 HydrophobicContact CG-CB 3.98Å; F340-A346 HydrophobicContact CB-CB 4.27Å; F340-A346 HydrophobicContact CD2-CB 3.93Å; F340-A346 HydrophobicContact CG-CB 4.43Å; F340-A349 HydrophobicContact CE2-CB 3.62Å; F340-A349 HydrophobicContact CZ-CB 3.74Å
341	S	91.7	Very high	92	Very high	67 Å²	67	53.1 Å²	53.1	47%	0.469	27%	0.273	S	S	.	.	S	Bend	trans	-76.3	-32	171.6	37	0	0	0	0	113.5	S319 E345	S319-S341 WeakPolarHBondContact CB-OG 3.24Å; S319-S341 PolarHBondContact O-N 3.4Å; S341-E345 VanDerWaalsContact OG-CD 3.25Å; S341-E345 PolarHBondContact OG-OE1 2.99Å; S341-E345 PolarHBondContact OG-OE2 2.95Å
342	S	91.1	Very high	92.4	Very high	29 Å²	29	48.4 Å²	48.4	20%	0.203	26%	0.26	C	S	.	.	S	Bend	trans	-129.6	156	179.6	73.1	0	0	0	0	113.4	E344 E345 A346	S342-E344 PolarHBondContact O-N 3Å; S342-E345 WeakPolarHBondContact CB-OE1 3.34Å; S342-E345 PolarHBondContact N-OE1 2.73Å; S342-E345 VanDerWaalsContact N-OE1 3.12Å; S342-E345 WeakPolarHBondContact OG-CG 3.17Å; S342-E345 PolarHBondContact OG-N 3.42Å; S342-E345 PolarHBondContact OG-OE1 2.7Å; S342-A346 PolarHBondContact O-N 3.42Å
343	P	91.2	Very high	92.6	Very high	64 Å²	64	47.4 Å²	47.4	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-21.7	175.3	-19.6	32.8	0	0	0	113.1	V294 T347	V294-P343 HydrophobicContact CG1-CG 3.88Å; P343-T347 WeakPolarHBondContact O-CB 3.36Å; P343-T347 PolarHBondContact O-N 3.34Å; P343-T347 PolarHBondContact O-OG1 3.47Å
344	E	91.4	Very high	92.8	Very high	159 Å²	159	47.3 Å²	47.3	74%	0.743	26%	0.256	S	S	*	.	H	α-helix	trans	-72.7	-48.5	-178.7	-65	171.7	-161	0	0	110.4	S342 A346 T347 K348	S342-E344 PolarHBondContact O-N 3Å; E344-A346 VanDerWaalsContact C-N 3.33Å; E344-A346 PolarHBondContact O-N 3.42Å; E344-T347 PolarHBondContact O-N 3.08Å; E344-K348 PolarHBondContact O-N 3.14Å
345	E	94.1	Very high	92.9	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-54.4	-47.6	168.9	-67.7	160	-116.5	0	0	111.7	F317 G318 S319 F340 S341 S342 T347 K348 A349	F317-E345 WeakPolarHBondContact O-CB 3.3Å; G318-E345 WeakPolarHBondContact CA-OE2 3.24Å; S319-E345 PolarHBondContact N-OE2 3.46Å; F340-E345 HydrophobicContact CB-CB 3.94Å; F340-E345 HydrophobicContact CD1-CB 3.88Å; F340-E345 HydrophobicContact CG-CB 3.98Å; S341-E345 VanDerWaalsContact OG-CD 3.25Å; S341-E345 PolarHBondContact OG-OE1 2.99Å; S341-E345 PolarHBondContact OG-OE2 2.95Å; S342-E345 WeakPolarHBondContact CB-OE1 3.34Å; S342-E345 PolarHBondContact N-OE1 2.73Å; S342-E345 VanDerWaalsContact N-OE1 3.12Å; S342-E345 WeakPolarHBondContact OG-CG 3.17Å; S342-E345 PolarHBondContact OG-N 3.42Å; S342-E345 PolarHBondContact OG-OE1 2.7Å; E345-T347 VanDerWaalsContact C-N 3.34Å; E345-T347 PolarHBondContact O-N 3.38Å; E345-K348 WeakPolarHBondContact O-CB 3.4Å; E345-K348 PolarHBondContact O-N 3.46Å; E345-A349 WeakPolarHBondContact O-CB 3.19Å; E345-A349 PolarHBondContact O-N 2.91Å
346	A	92	Very high	92.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-39.6	179.3	0	0	0	0	0	112.3	G293 L296 F340 S342 E344 A349 V350	G293-A346 VanDerWaalsContact O-CB 3.28Å; G293-A346 WeakPolarHBondContact O-CB 3.38Å; L296-A346 HydrophobicContact CD2-CB 3.96Å; L296-A346 HydrophobicContact CG-CB 4.35Å; F340-A346 HydrophobicContact CB-CB 4.27Å; F340-A346 HydrophobicContact CD2-CB 3.93Å; F340-A346 HydrophobicContact CG-CB 4.43Å; S342-A346 PolarHBondContact O-N 3.42Å; E344-A346 VanDerWaalsContact C-N 3.33Å; E344-A346 PolarHBondContact O-N 3.42Å; A346-A349 PolarHBondContact O-N 2.89Å; A346-V350 WeakPolarHBondContact O-CG2 3.26Å; A346-V350 PolarHBondContact O-N 2.86Å
347	T	91.9	Very high	92.6	Very high	78 Å²	78	57.1 Å²	57.1	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-69.1	-40.3	177.2	-57.9	0	0	0	0	111.6	P343 E344 E345 V350 T351	P343-T347 WeakPolarHBondContact O-CB 3.36Å; P343-T347 PolarHBondContact O-N 3.34Å; P343-T347 PolarHBondContact O-OG1 3.47Å; E344-T347 PolarHBondContact O-N 3.08Å; E345-T347 VanDerWaalsContact C-N 3.34Å; E345-T347 PolarHBondContact O-N 3.38Å; T347-V350 PolarHBondContact O-N 3.11Å; T347-T351 PolarHBondContact O-N 3.39Å; T347-T351 PolarHBondContact O-OG1 2.78Å
348	K	93.6	Very high	92.1	Very high	94 Å²	94	54.9 Å²	54.9	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-49.2	172.4	-174.3	-172.3	175.8	-169.7	0	111	F317 E344 E345 V350 T351 E352	F317-K348 HydrophobicContact CD1-CD 4.4Å; F317-K348 HydrophobicContact CD1-CG 4.34Å; E344-K348 PolarHBondContact O-N 3.14Å; E345-K348 WeakPolarHBondContact O-CB 3.4Å; E345-K348 PolarHBondContact O-N 3.46Å; K348-V350 VanDerWaalsContact C-N 3.35Å; K348-V350 PolarHBondContact O-N 3.14Å; K348-T351 PolarHBondContact O-N 2.91Å; K348-E352 WeakPolarHBondContact CE-OE1 3.46Å; K348-E352 WeakPolarHBondContact CG-OE1 3.34Å; K348-E352 PolarHBondContact O-N 2.84Å
349	A	93.8	Very high	91.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-38.5	177.1	0	0	0	0	0	113.1	L296 F314 F317 F340 E345 A346 T351 M353	L296-A349 HydrophobicContact CD1-CB 3.78Å; F314-A349 HydrophobicContact CD1-CB 4.26Å; F317-A349 HydrophobicContact CB-CB 3.72Å; F317-A349 HydrophobicContact CD2-CB 4.36Å; F317-A349 HydrophobicContact CG-CB 4.04Å; F340-A349 HydrophobicContact CE2-CB 3.62Å; F340-A349 HydrophobicContact CZ-CB 3.74Å; E345-A349 WeakPolarHBondContact O-CB 3.19Å; E345-A349 PolarHBondContact O-N 2.91Å; A346-A349 PolarHBondContact O-N 2.89Å; A349-T351 VanDerWaalsContact C-N 3.31Å; A349-T351 PolarHBondContact O-N 3.5Å; A349-M353 VanDerWaalsContact O-CB 3.25Å; A349-M353 WeakPolarHBondContact O-CB 3.29Å; A349-M353 PolarHBondContact O-N 2.98Å
350	V	93.9	Very high	91.4	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-60.9	-40.5	171.7	168.7	0	0	0	0	111.4	L296 A346 T347 K348 N354 V365	L296-V350 HydrophobicContact CD1-CG2 4.01Å; L296-V350 HydrophobicContact CD2-CG2 3.47Å; L296-V350 VanDerWaalsContact CD2-CG2 3.47Å; L296-V350 HydrophobicContact CG-CG2 4.37Å; A346-V350 WeakPolarHBondContact O-CG2 3.26Å; A346-V350 PolarHBondContact O-N 2.86Å; T347-V350 PolarHBondContact O-N 3.11Å; K348-V350 VanDerWaalsContact C-N 3.35Å; K348-V350 PolarHBondContact O-N 3.14Å; V350-N354 WeakPolarHBondContact O-CB 3.49Å; V350-N354 PolarHBondContact O-N 3.14Å; V350-V365 HydrophobicContact CG2-CG1 4.08Å
351	T	92	Very high	91.2	Very high	109 Å²	109	63.5 Å²	63.5	67%	0.669	37%	0.365	S	S	*	.	H	α-helix	trans	-72	-40.1	-176.5	-55.4	0	0	0	0	112.2	T347 K348 A349	T347-T351 PolarHBondContact O-N 3.39Å; T347-T351 PolarHBondContact O-OG1 2.78Å; K348-T351 PolarHBondContact O-N 2.91Å; A349-T351 VanDerWaalsContact C-N 3.31Å; A349-T351 PolarHBondContact O-N 3.5Å
352	E	92.6	Very high	91.3	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-94.4	-23.5	-173.4	-68.8	-178.6	-120	0	0	114.6	F317 K348	F317-E352 HydrophobicContact CD1-CB 4.19Å; F317-E352 HydrophobicContact CE1-CB 3.54Å; F317-E352 HydrophobicContact CE1-CG 4.25Å; F317-E352 WeakPolarHBondContact CE1-OE2 3.29Å; F317-E352 HydrophobicContact CZ-CB 4.19Å; K348-E352 WeakPolarHBondContact CE-OE1 3.46Å; K348-E352 WeakPolarHBondContact CG-OE1 3.34Å; K348-E352 PolarHBondContact O-N 2.84Å
353	M	93.1	Very high	91.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-101.1	-17.5	-179.5	-62.8	-67.1	-81.2	0	0	114.3	E313 F314 F317 A349 G355 R356 V358 L363 V365	E313-M353 HydrophobicContact CB-CE 4.02Å; F314-M353 HydrophobicContact CD1-CG 4.29Å; F314-M353 HydrophobicContact CD2-CE 3.96Å; F314-M353 HydrophobicContact CE1-CB 3.85Å; F314-M353 HydrophobicContact CE1-CG 3.88Å; F314-M353 HydrophobicContact CE2-CE 3.65Å; F314-M353 HydrophobicContact CZ-CB 3.83Å; F314-M353 HydrophobicContact CZ-CE 3.97Å; F314-M353 HydrophobicContact CZ-CG 4.05Å; F317-M353 HydrophobicContact CD2-CG 3.99Å; F317-M353 HydrophobicContact CD2-SD 4.46Å; F317-M353 HydrophobicContact CE2-CE 4.29Å; F317-M353 HydrophobicContact CE2-CG 3.4Å; F317-M353 VanDerWaalsContact CE2-CG 3.4Å; F317-M353 HydrophobicContact CE2-SD 3.38Å; F317-M353 WeakPolarHBondContact CE2-SD 3.25Å; F317-M353 HydrophobicContact CZ-CG 3.73Å; F317-M353 HydrophobicContact CZ-SD 3.55Å; F317-M353 VanDerWaalsContact CZ-SD 3.55Å; A349-M353 VanDerWaalsContact O-CB 3.25Å; A349-M353 WeakPolarHBondContact O-CB 3.29Å; A349-M353 PolarHBondContact O-N 2.98Å; M353-G355 PolarHBondContact O-N 2.85Å; M353-R356 WeakPolarHBondContact O-CB 3.43Å; M353-R356 PolarHBondContact O-N 3.1Å; M353-R356 VanDerWaalsContact SD-CD 3.51Å; M353-R356 PolarHBondContact SD-NH1 3.48Å; M353-V358 HydrophobicContact CE-CG2 4.37Å; M353-L363 HydrophobicContact CE-CD1 4.23Å; M353-V365 HydrophobicContact CB-CG2 3.91Å
354	N	93.4	Very high	91.5	Very high	78 Å²	78	65 Å²	65	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	120.6	177.5	-172.9	43.7	0	0	0	110.9	V350 R356 Y364 V365	V350-N354 WeakPolarHBondContact O-CB 3.49Å; V350-N354 PolarHBondContact O-N 3.14Å; N354-R356 VanDerWaalsContact C-N 3.34Å; N354-Y364 WeakPolarHBondContact OD1-CA 3.37Å; N354-V365 HydrophobicContact CB-CB 4.05Å; N354-V365 PolarHBondContact OD1-N 3.16Å
355	G	89.2	Confident	91.7	Very high	47 Å²	47	57.5 Å²	57.5	49%	0.485	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-10.4	-173.2	0	0	0	0	0	114.8	M353 L363	M353-G355 PolarHBondContact O-N 2.85Å; G355-L363 WeakPolarHBondContact CA-O 3.38Å; G355-L363 PolarHBondContact N-O 3.49Å
356	R	91.4	Very high	91.6	Very high	111 Å²	111	56.6 Å²	56.6	42%	0.419	32%	0.321	S	S	.	.			trans	-69.8	133.3	-179.7	-171.2	-179.8	176	-164.8	-8.1	110.8	M353 N354 L363	M353-R356 WeakPolarHBondContact O-CB 3.43Å; M353-R356 PolarHBondContact O-N 3.1Å; M353-R356 VanDerWaalsContact SD-CD 3.51Å; M353-R356 PolarHBondContact SD-NH1 3.48Å; N354-R356 VanDerWaalsContact C-N 3.34Å; R356-L363 PolarHBondContact O-N 3.38Å
357	I	89.8	Confident	91.6	Very high	116 Å²	116	61 Å²	61	60%	0.595	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.4	175.7	-58.1	174.1	0	0	0	109.6	K361 P362	I357-K361 WeakPolarHBondContact CA-O 3.37Å; I357-P362 HydrophobicContact CG1-CB 4.14Å
358	V	86.2	Confident	91.4	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.5	175.8	178.1	0	0	0	0	107.8	I305 E313 M353 K361 L363	I305-V358 HydrophobicContact CD1-CG1 4.02Å; E313-V358 HydrophobicContact CG-CG1 4.07Å; M353-V358 HydrophobicContact CE-CG2 4.37Å; V358-K361 PolarHBondContact N-O 2.86Å; V358-K361 PolarHBondContact O-N 2.76Å; V358-L363 HydrophobicContact CB-CD1 4.01Å; V358-L363 HydrophobicContact CB-CD2 4.29Å; V358-L363 HydrophobicContact CB-CG 4.04Å; V358-L363 HydrophobicContact CG2-CD1 3.66Å; V358-L363 HydrophobicContact CG2-CG 4.01Å
359	G	85.6	Confident	90.9	Very high	54 Å²	54	59.2 Å²	59.2	56%	0.557	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-132.7	-162.5	0	0	0	0	0	110.2
360	S	87.6	Confident	90.1	Very high	91 Å²	91	63.2 Å²	63.2	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.1	177.5	67.5	0	0	0	0	115	D302	D302-S360 WeakPolarHBondContact OD2-CB 3.27Å; D302-S360 PolarHBondContact OD2-N 3.41Å; D302-S360 PolarHBondContact OD2-OG 2.96Å
361	K	90.5	Very high	89.4	Confident	46 Å²	46	70.7 Å²	70.7	20%	0.2	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.8	-163.7	-54	-176.4	-161.6	165.9	0	113.2	N300 L301 D303 I357 V358 L363	N300-K361 VanDerWaalsContact O-CB 3.31Å; N300-K361 WeakPolarHBondContact O-CB 3.42Å; L301-K361 PolarHBondContact O-NZ 3.27Å; D303-K361 IonicContact OD1-NZ 2.67Å; D303-K361 PolarHBondContact OD1-NZ 3.4Å; I357-K361 WeakPolarHBondContact CA-O 3.37Å; V358-K361 PolarHBondContact N-O 2.86Å; V358-K361 PolarHBondContact O-N 2.76Å; K361-L363 PolarHBondContact O-N 3.07Å
362	P	92.6	Very high	88.8	Confident	64 Å²	64	71.8 Å²	71.8	42%	0.416	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.6	168.4	29.4	-32.4	0	0	0	110.4	N300 I357	N300-P362 WeakPolarHBondContact CB-O 3.2Å; N300-P362 PolarHBondContact ND2-O 2.88Å; I357-P362 HydrophobicContact CG1-CB 4.14Å
363	L	94.4	Very high	88.1	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.026	38%	0.38	C	S	.	.			trans	-68.9	147.4	178.3	-61.3	-172.5	0	0	0	111.6	I298 L301 F314 M353 G355 R356 V358 K361 V365	I298-L363 HydrophobicContact CG2-CD1 4.26Å; I298-L363 HydrophobicContact CG2-CD2 4.3Å; L301-L363 HydrophobicContact CD2-CD2 3.86Å; F314-L363 HydrophobicContact CE2-CD1 4.02Å; F314-L363 HydrophobicContact CZ-CD1 4.21Å; M353-L363 HydrophobicContact CE-CD1 4.23Å; G355-L363 WeakPolarHBondContact CA-O 3.38Å; G355-L363 PolarHBondContact N-O 3.49Å; R356-L363 PolarHBondContact O-N 3.38Å; V358-L363 HydrophobicContact CB-CD1 4.01Å; V358-L363 HydrophobicContact CB-CD2 4.29Å; V358-L363 HydrophobicContact CB-CG 4.04Å; V358-L363 HydrophobicContact CG2-CD1 3.66Å; V358-L363 HydrophobicContact CG2-CG 4.01Å; K361-L363 PolarHBondContact O-N 3.07Å; L363-V365 HydrophobicContact CB-CG2 4.19Å
364	Y	93.4	Very high	87.2	Confident	121 Å²	121	78.2 Å²	78.2	48%	0.475	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.7	163.6	171.1	-93.1	0	0	0	108.6	Y297 I298 K299 N354 A366	Y297-Y364 HydrophobicContact CD1-CD1 4.47Å; Y297-Y364 HydrophobicContact CD1-CE1 4.29Å; Y297-Y364 HydrophobicContact CE1-CD1 4.44Å; Y297-Y364 HydrophobicContact CE1-CE1 4.4Å; I298-Y364 CarbonylContact C-O 3.58Å; I298-Y364 WeakPolarHBondContact CA-O 3.35Å; K299-Y364 HydrophobicContact CB-CD1 4.01Å; K299-Y364 PolarHBondContact N-O 3.33Å; K299-Y364 PolarHBondContact O-N 3.43Å; N354-Y364 WeakPolarHBondContact OD1-CA 3.37Å; Y364-A366 HydrophobicContact CE1-CB 3.88Å
365	V	94.9	Very high	86.5	Confident	2 Å²	2	81.9 Å²	81.9	1%	0.012	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.6	-175.1	-172.3	0	0	0	0	109.5	L296 I298 F314 V350 M353 N354 L363	L296-V365 HydrophobicContact CB-CG1 4.45Å; L296-V365 HydrophobicContact CD1-CG1 3.82Å; I298-V365 HydrophobicContact CG1-CG1 4.38Å; I298-V365 HydrophobicContact CG1-CG2 4.33Å; I298-V365 HydrophobicContact CG2-CG2 4.35Å; F314-V365 HydrophobicContact CE1-CG1 4.08Å; F314-V365 HydrophobicContact CE1-CG2 4.26Å; F314-V365 HydrophobicContact CZ-CG1 4.46Å; F314-V365 HydrophobicContact CZ-CG2 3.88Å; V350-V365 HydrophobicContact CG2-CG1 4.08Å; M353-V365 HydrophobicContact CB-CG2 3.91Å; N354-V365 HydrophobicContact CB-CB 4.05Å; N354-V365 PolarHBondContact OD1-N 3.16Å; L363-V365 HydrophobicContact CB-CG2 4.19Å
366	A	92.4	Very high	86	Confident	20 Å²	20	82.1 Å²	82.1	17%	0.165	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.8	179.4	0	0	0	0	0	111.4	L296 Y297 Y364	L296-A366 CarbonylContact C-O 3.48Å; L296-A366 WeakPolarHBondContact CA-O 3.39Å; Y297-A366 PolarHBondContact N-O 2.89Å; Y297-A366 PolarHBondContact O-N 2.96Å; Y297-A366 VanDerWaalsContact O-N 3.09Å; Y364-A366 HydrophobicContact CE1-CB 3.88Å
367	L	90.9	Very high	85.4	Confident	91 Å²	91	82.9 Å²	82.9	48%	0.476	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.6	171.5	-63.6	178.5	0	0	0	111	G293 L296 Q369	G293-L367 WeakPolarHBondContact O-CD2 3.14Å; L296-L367 HydrophobicContact CD2-CD2 3.76Å; L367-Q369 PolarHBondContact O-N 3.15Å; L367-Q369 VanDerWaalsContact O-N 3.07Å
368	A	87.1	Confident	84.9	Confident	24 Å²	24	81.8 Å²	81.8	20%	0.198	42%	0.415	C	S	.	.			trans	-76.6	94.7	-174.1	0	0	0	0	0	113	N295 F337	N295-A368 HydrophobicContact CB-CB 4.2Å; N295-A368 WeakPolarHBondContact ND2-CB 3.32Å; N295-A368 VanDerWaalsContact O-CB 3.26Å; N295-A368 WeakPolarHBondContact O-CB 3.23Å; N295-A368 PolarHBondContact O-N 2.92Å; F337-A368 HydrophobicContact CD1-CB 3.97Å; F337-A368 HydrophobicContact CE1-CB 4.07Å
369	Q	83.6	Confident	84.6	Confident	111 Å²	111	82.8 Å²	82.8	52%	0.519	42%	0.422	S	S	.	.			trans	-70	140.3	170.4	-64.9	180	-8.8	0	0	111.9	L367 R374	L367-Q369 PolarHBondContact O-N 3.15Å; L367-Q369 VanDerWaalsContact O-N 3.07Å; Q369-R374 HydrophobicContact CB-CB 4.32Å
370	R	78	Confident	84.3	Confident	85 Å²	85	84.3 Å²	84.3	32%	0.321	42%	0.417	S	S	.	.			trans	-72.3	150.2	175.7	-73.2	-177.4	168	87.6	0.7	111.4	R287 E372 E373 R374	R287-R370 PolarHBondContact O-NH2 3.14Å; R370-E372 VanDerWaalsContact C-N 3.26Å; R370-E372 PolarHBondContact O-N 3.23Å; R370-E373 HydrophobicContact CB-CB 4.17Å; R370-E373 PolarHBondContact N-OE2 3.18Å; R370-E373 PolarHBondContact O-N 3.03Å; R370-R374 VanDerWaalsContact O-CB 3.3Å; R370-R374 WeakPolarHBondContact O-CB 3.49Å; R370-R374 PolarHBondContact O-N 3.34Å
371	K	78.9	Confident	83.9	Confident	191 Å²	191	84.8 Å²	84.8	83%	0.83	41%	0.409	S	S	*	.	H	α-helix	trans	-55.8	-39.5	178.9	-173.1	179.3	179.6	-178.6	0	112.6	K375	K371-K375 VanDerWaalsContact O-CB 3.3Å; K371-K375 WeakPolarHBondContact O-CB 3.42Å; K371-K375 PolarHBondContact O-N 3.36Å
372	E	78.8	Confident	83.1	Confident	132 Å²	132	89.5 Å²	89.5	62%	0.617	43%	0.427	S	S	*	.	H	α-helix	trans	-62.9	-54.9	175.8	-71.8	157.9	-144.5	0	0	111.8	K284 R370 K375 A376	K284-E372 IonicContact NZ-OE2 3.95Å; K284-E372 PolarHBondContact NZ-OE2 3.06Å; R370-E372 VanDerWaalsContact C-N 3.26Å; R370-E372 PolarHBondContact O-N 3.23Å; E372-K375 PolarHBondContact O-N 2.85Å; E372-A376 PolarHBondContact O-N 2.97Å
373	E	77.4	Confident	82.3	Confident	110 Å²	110	87.3 Å²	87.3	51%	0.514	41%	0.411	S	S	.	.	H	α-helix	trans	-61	-46.9	179.9	178.3	-179.4	-152.3	0	0	112	R370 K375 A376 H377	R370-E373 HydrophobicContact CB-CB 4.17Å; R370-E373 PolarHBondContact N-OE2 3.18Å; R370-E373 PolarHBondContact O-N 3.03Å; E373-K375 VanDerWaalsContact C-N 3.35Å; E373-K375 PolarHBondContact O-N 2.87Å; E373-A376 PolarHBondContact O-N 3.18Å; E373-H377 WeakPolarHBondContact O-CB 3.4Å; E373-H377 PolarHBondContact O-N 3.39Å
374	R	75.6	Confident	81.3	Confident	128 Å²	128	93.7 Å²	93.7	48%	0.483	44%	0.441	S	S	.	.	H	α-helix	trans	-61.6	-40.5	174.6	-179	171.8	175.6	-179	0.7	111.7	Q369 R370 H377 L378	Q369-R374 HydrophobicContact CB-CB 4.32Å; R370-R374 VanDerWaalsContact O-CB 3.3Å; R370-R374 WeakPolarHBondContact O-CB 3.49Å; R370-R374 PolarHBondContact O-N 3.34Å; R374-H377 PolarHBondContact O-N 3.39Å; R374-L378 HydrophobicContact CG-CD1 3.81Å; R374-L378 WeakPolarHBondContact O-CB 3.49Å; R374-L378 WeakPolarHBondContact O-CD1 3.48Å; R374-L378 PolarHBondContact O-N 2.79Å
375	K	78.8	Confident	80.3	Confident	154 Å²	154	96.6 Å²	96.6	67%	0.67	45%	0.451	S	S	*	.	H	α-helix	trans	-62	-49.5	174.1	-173.3	-177.9	178.4	-172.7	0	110.2	K371 E372 E373 H377 L378 T379	K371-K375 VanDerWaalsContact O-CB 3.3Å; K371-K375 WeakPolarHBondContact O-CB 3.42Å; K371-K375 PolarHBondContact O-N 3.36Å; E372-K375 PolarHBondContact O-N 2.85Å; E373-K375 VanDerWaalsContact C-N 3.35Å; E373-K375 PolarHBondContact O-N 2.87Å; K375-H377 VanDerWaalsContact C-N 3.32Å; K375-H377 PolarHBondContact O-N 3.41Å; K375-L378 PolarHBondContact O-N 3.21Å; K375-T379 VanDerWaalsContact O-CB 3.28Å; K375-T379 WeakPolarHBondContact O-CB 3.17Å; K375-T379 PolarHBondContact O-N 3.02Å; K375-T379 PolarHBondContact O-OG1 3.03Å
376	A	78.6	Confident	79	Confident	53 Å²	53	100.7 Å²	100.7	44%	0.438	47%	0.472	S	S	.	.	H	α-helix	trans	-58.7	-41.4	178	0	0	0	0	0	112.6	E372 E373 T379 N380	E372-A376 PolarHBondContact O-N 2.97Å; E373-A376 PolarHBondContact O-N 3.18Å; A376-T379 PolarHBondContact O-N 3.19Å; A376-N380 PolarHBondContact O-N 3.02Å
377	H	77.9	Confident	77.6	Confident	126 Å²	126	102.6 Å²	102.6	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-67	-45.1	178.6	-158.3	96.2	0	0	0	112.3	E373 R374 K375 T379 N380 Q381	E373-H377 WeakPolarHBondContact O-CB 3.4Å; E373-H377 PolarHBondContact O-N 3.39Å; R374-H377 PolarHBondContact O-N 3.39Å; K375-H377 VanDerWaalsContact C-N 3.32Å; K375-H377 PolarHBondContact O-N 3.41Å; H377-T379 VanDerWaalsContact C-N 3.35Å; H377-N380 PolarHBondContact O-N 2.91Å; H377-Q381 WeakPolarHBondContact O-CB 3.44Å; H377-Q381 PolarHBondContact O-N 3.03Å
378	L	78.8	Confident	76.1	Confident	93 Å²	93	100.8 Å²	100.8	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-40.2	172.8	-94.9	136.8	0	0	0	112.2	R374 K375 Q381 Y382	R374-L378 HydrophobicContact CG-CD1 3.81Å; R374-L378 WeakPolarHBondContact O-CB 3.49Å; R374-L378 WeakPolarHBondContact O-CD1 3.48Å; R374-L378 PolarHBondContact O-N 2.79Å; K375-L378 PolarHBondContact O-N 3.21Å; L378-Q381 PolarHBondContact O-N 2.58Å; L378-Y382 WeakPolarHBondContact O-CB 3.44Å; L378-Y382 PolarHBondContact O-N 2.83Å
379	T	80.2	Confident	74.6	Confident	38 Å²	38	107.4 Å²	107.4	23%	0.233	52%	0.52	C	S	.	.	H	α-helix	trans	-62.4	-48.5	176	-69.6	0	0	0	0	111.1	K375 A376 H377 Q381 Y382 M383 V517	K375-T379 VanDerWaalsContact O-CB 3.28Å; K375-T379 WeakPolarHBondContact O-CB 3.17Å; K375-T379 PolarHBondContact O-N 3.02Å; K375-T379 PolarHBondContact O-OG1 3.03Å; A376-T379 PolarHBondContact O-N 3.19Å; H377-T379 VanDerWaalsContact C-N 3.35Å; T379-Q381 PolarHBondContact O-N 3.41Å; T379-Y382 PolarHBondContact O-N 2.95Å; T379-M383 HydrophobicContact CG2-CE 3.31Å; T379-M383 WeakPolarHBondContact O-CG 3.44Å; T379-M383 PolarHBondContact O-N 2.87Å; T379-M383 VanDerWaalsContact O-N 3.08Å; T379-V517 HydrophobicContact CG2-CG2 4.2Å
380	N	79.8	Confident	73.2	Confident	86 Å²	86	113.1 Å²	113.1	46%	0.46	54%	0.537	S	S	.	.	H	α-helix	trans	-62.4	-42.1	175.7	-76.6	-5.5	0	0	0	112.2	A376 H377 Y382 M383 Q384	A376-N380 PolarHBondContact O-N 3.02Å; H377-N380 PolarHBondContact O-N 2.91Å; N380-Y382 PolarHBondContact O-N 3.45Å; N380-M383 PolarHBondContact O-N 3.47Å; N380-Q384 WeakPolarHBondContact O-CG 3.43Å; N380-Q384 PolarHBondContact O-N 3.38Å
381	Q	79.1	Confident	71.7	Confident	101 Å²	101	112.9 Å²	112.9	47%	0.472	55%	0.553	S	S	.	*	H	α-helix	trans	-65	-39.2	178.6	-169.6	-178.7	48.4	0	0	112.6	H377 L378 T379 M383 R385	H377-Q381 WeakPolarHBondContact O-CB 3.44Å; H377-Q381 PolarHBondContact O-N 3.03Å; L378-Q381 PolarHBondContact O-N 2.58Å; T379-Q381 PolarHBondContact O-N 3.41Å; Q381-M383 VanDerWaalsContact C-N 3.35Å; Q381-R385 PolarHBondContact O-N 2.87Å
382	Y	74.6	Confident	70	Confident	144 Å²	144	111.7 Å²	111.7	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-61.1	-43.9	173.1	174.4	-105.3	0	0	0	111.4	L378 T379 N380 R385 I386	L378-Y382 WeakPolarHBondContact O-CB 3.44Å; L378-Y382 PolarHBondContact O-N 2.83Å; T379-Y382 PolarHBondContact O-N 2.95Å; N380-Y382 PolarHBondContact O-N 3.45Å; Y382-R385 WeakPolarHBondContact O-CB 3.32Å; Y382-R385 PolarHBondContact O-N 2.97Å; Y382-I386 HydrophobicContact CD1-CD1 4.24Å; Y382-I386 HydrophobicContact CE1-CD1 3.56Å; Y382-I386 HydrophobicContact CE2-CD1 4.41Å; Y382-I386 PolarHBondContact O-N 2.62Å
383	M	74.4	Confident	68.1	Low	18 Å²	18	110.4 Å²	110.4	9%	0.089	56%	0.555	C	S	.	*	H	α-helix	trans	-79.8	-28.2	-175.2	-61.9	-151.9	-112.7	0	0	113.9	T379 N380 Q381 R385 I386 A387 P515 I516 V517	T379-M383 HydrophobicContact CG2-CE 3.31Å; T379-M383 WeakPolarHBondContact O-CG 3.44Å; T379-M383 PolarHBondContact O-N 2.87Å; T379-M383 VanDerWaalsContact O-N 3.08Å; N380-M383 PolarHBondContact O-N 3.47Å; Q381-M383 VanDerWaalsContact C-N 3.35Å; M383-R385 VanDerWaalsContact C-N 3.28Å; M383-R385 PolarHBondContact O-N 3.31Å; M383-I386 PolarHBondContact O-N 3.18Å; M383-A387 PolarHBondContact O-N 3.21Å; M383-P515 HydrophobicContact CB-CB 3.56Å; M383-P515 HydrophobicContact CB-CG 3.56Å; M383-P515 HydrophobicContact CE-CB 4.19Å; M383-P515 HydrophobicContact CE-CG 3.83Å; M383-P515 WeakPolarHBondContact CE-O 3.47Å; M383-P515 HydrophobicContact CG-CB 4.08Å; M383-P515 HydrophobicContact CG-CG 4.08Å; M383-P515 HydrophobicContact SD-CB 3.41Å; M383-P515 WeakPolarHBondContact SD-CB 3.45Å; M383-P515 HydrophobicContact SD-CG 3.65Å; M383-I516 PolarHBondContact SD-N 3.24Å; M383-V517 HydrophobicContact CE-CB 4.49Å; M383-V517 HydrophobicContact CE-CG2 3.7Å
384	Q	74	Confident	66.3	Low	140 Å²	140	110 Å²	110	65%	0.654	57%	0.57	S	S	*	*	H	α-helix	trans	-60.5	-37.4	164.2	-75.4	175.9	-11.9	0	0	111.8	N380 A387 G388	N380-Q384 WeakPolarHBondContact O-CG 3.43Å; N380-Q384 PolarHBondContact O-N 3.38Å; Q384-A387 PolarHBondContact O-N 2.89Å; Q384-G388 PolarHBondContact O-N 3.23Å
385	R	71.7	Confident	64.5	Low	182 Å²	182	111.6 Å²	111.6	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-65.7	-38.4	175.7	-166.7	-177	-65.4	-175.8	-1.1	112.3	Q381 Y382 M383 G388 M389	Q381-R385 PolarHBondContact O-N 2.87Å; Y382-R385 WeakPolarHBondContact O-CB 3.32Å; Y382-R385 PolarHBondContact O-N 2.97Å; M383-R385 VanDerWaalsContact C-N 3.28Å; M383-R385 PolarHBondContact O-N 3.31Å; R385-G388 PolarHBondContact O-N 2.7Å; R385-M389 PolarHBondContact O-N 3.32Å
386	I	67.6	Low	62.6	Low	87 Å²	87	108.7 Å²	108.7	45%	0.446	59%	0.593	S	S	.	*	H	α-helix	trans	-66.4	-42.8	173.4	-71.3	179.4	0	0	0	111.3	Y382 M383 G388 M389 R390	Y382-I386 HydrophobicContact CD1-CD1 4.24Å; Y382-I386 HydrophobicContact CE1-CD1 3.56Å; Y382-I386 HydrophobicContact CE2-CD1 4.41Å; Y382-I386 PolarHBondContact O-N 2.62Å; M383-I386 PolarHBondContact O-N 3.18Å; I386-G388 VanDerWaalsContact C-N 3.27Å; I386-G388 PolarHBondContact O-N 3.03Å; I386-M389 PolarHBondContact O-N 2.79Å; I386-R390 PolarHBondContact O-N 2.83Å
387	A	63.8	Low	60.7	Low	60 Å²	60	113.4 Å²	113.4	50%	0.496	61%	0.61	S	S	.	*	H	α-helix	trans	-58.3	-40	176	0	0	0	0	0	112.1	M383 Q384 M389 R390	M383-A387 PolarHBondContact O-N 3.21Å; Q384-A387 PolarHBondContact O-N 2.89Å; A387-M389 VanDerWaalsContact C-N 3.35Å; A387-M389 PolarHBondContact O-N 3.25Å; A387-R390 PolarHBondContact O-N 2.98Å; A387-R390 VanDerWaalsContact O-N 3.16Å
388	G	59.2	Low	58.6	Low	54 Å²	54	115.1 Å²	115.1	56%	0.557	62%	0.621	S	S	*	*	H	α-helix	trans	-61.5	-34.6	176.6	0	0	0	0	0	114.7	Q384 R385 I386 R390	Q384-G388 PolarHBondContact O-N 3.23Å; R385-G388 PolarHBondContact O-N 2.7Å; I386-G388 VanDerWaalsContact C-N 3.27Å; I386-G388 PolarHBondContact O-N 3.03Å; G388-R390 VanDerWaalsContact C-N 3.31Å; G388-R390 PolarHBondContact O-N 3.02Å
389	M	54.9	Low	56.4	Low	163 Å²	163	118.2 Å²	118.2	80%	0.803	64%	0.638	S	S	*	*	H	α-helix	trans	-73.3	-21.6	176.1	-73.8	-173.1	68.4	0	0	113.4	R385 I386 A387 A391	R385-M389 PolarHBondContact O-N 3.32Å; I386-M389 PolarHBondContact O-N 2.79Å; A387-M389 VanDerWaalsContact C-N 3.35Å; A387-M389 PolarHBondContact O-N 3.25Å; M389-A391 VanDerWaalsContact C-N 3.29Å; M389-A391 PolarHBondContact O-N 3.05Å
390	R	54.4	Low	54	Low	231 Å²	231	125.5 Å²	125.5	87%	0.872	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	2.3	-179.8	-146.6	175.9	-168.4	166.8	3.7	113.5	I386 A387 G388	I386-R390 PolarHBondContact O-N 2.83Å; A387-R390 PolarHBondContact O-N 2.98Å; A387-R390 VanDerWaalsContact O-N 3.16Å; G388-R390 VanDerWaalsContact C-N 3.31Å; G388-R390 PolarHBondContact O-N 3.02Å
391	A	47.8	Very low	51.6	Low	79 Å²	79	131.5 Å²	131.5	65%	0.653	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	9.5	-174	0	0	0	0	0	114.8	M389	M389-A391 VanDerWaalsContact C-N 3.29Å; M389-A391 PolarHBondContact O-N 3.05Å
392	M	42.3	Very low	49.3	Very low	167 Å²	167	135.3 Å²	135.3	82%	0.823	71%	0.71	S	S	*	*	S	Bend	trans	-76.3	127.2	167.7	-78.5	-66.8	-177.8	0	0	110.1
393	P	38.4	Very low	47.8	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	72%	0.716	S	S	*	*			trans	-73.2	130.9	-177	28.9	-34.1	0	0	0	111.6	N395	P393-N395 PolarHBondContact O-N 3.25Å
394	A	39.4	Very low	45.5	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	75%	0.753	S	S	*	*	S	Bend	trans	-71.7	17.9	-178.4	0	0	0	0	0	115.1
395	N	38.6	Very low	43.4	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	77%	0.765	S	S	*	*			trans	-100.6	16.1	-171.1	-99	29.5	0	0	0	114.4	P393	P393-N395 PolarHBondContact O-N 3.25Å
396	A	39.1	Very low	41.4	Very low	92 Å²	92	133.8 Å²	133.8	76%	0.76	77%	0.769	S	S	*	*	S	Bend	trans	-104.2	-7.2	-177	0	0	0	0	0	114.8
397	I	38.2	Very low	39.7	Very low	153 Å²	153	140.3 Å²	140.3	79%	0.785	79%	0.79	S	S	*	*	S	Bend	trans	-140.1	76.7	-177	-47.5	178.4	0	0	0	110.6
398	I	34.8	Very low	38.1	Very low	161 Å²	161	147 Å²	147	83%	0.826	81%	0.808	S	S	*	*			trans	-164.7	88.3	152.6	-96.6	146.1	0	0	0	106.9
399	N	31.3	Very low	36.7	Very low	158 Å²	158	152 Å²	152	85%	0.845	82%	0.819	S	S	*	*			trans	176.2	86.3	151.6	-102.3	-23.4	0	0	0	110.9
400	Q	30.2	Very low	36.8	Very low	192 Å²	192	149 Å²	149	90%	0.897	81%	0.812	S	S	*	*			trans	173.7	109	139.7	-97.2	165.4	21.3	0	0	108.5
401	F	28.8	Very low	35.6	Very low	211 Å²	211	142.6 Å²	142.6	93%	0.925	81%	0.808	S	S	*	*			trans	-138.4	101.3	170.7	-121.4	-86.8	0	0	0	108.8
402	Q	30.9	Very low	35.1	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	82%	0.817	S	S	*	*			trans	-137.9	140.6	164.2	-96	-70.2	-68.6	0	0	107
403	P	43.6	Very low	35	Very low	105 Å²	105	143 Å²	143	68%	0.682	81%	0.814	S	S	*	*			trans	-99.2	134.4	-158	35.7	-33.1	0	0	0	114.1
404	T	25.6	Very low	34.7	Very low	144 Å²	144	146.3 Å²	146.3	88%	0.883	82%	0.82	S	S	*	*			trans	-139.8	153.2	156.6	58.9	0	0	0	0	110.6
405	S	30.1	Very low	34.5	Very low	128 Å²	128	145.1 Å²	145.1	90%	0.895	81%	0.81	S	S	*	*			trans	-86.2	145.5	-179.9	-49.7	0	0	0	0	111.6
406	G	30.1	Very low	34.2	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	81%	0.808	S	S	*	*			trans	-178.1	116.6	173.8	0	0	0	0	0	115
407	Y	31.9	Very low	33.9	Very low	224 Å²	224	147.7 Å²	147.7	88%	0.878	81%	0.806	S	S	*	*			trans	-59.3	163.9	-178.3	-84.5	-99.5	0	0	0	117.6
408	F	29.8	Very low	33.5	Very low	200 Å²	200	151.7 Å²	151.7	88%	0.877	81%	0.811	S	S	*	*			trans	96.7	158.4	144.4	-119.7	-100.4	0	0	0	120.7
409	M	30.2	Very low	33.1	Very low	159 Å²	159	149.7 Å²	149.7	78%	0.783	81%	0.806	S	S	*	*			trans	-137.7	-165	-165.6	-159.8	-149.3	171.5	0	0	109.7
410	P	56.2	Low	33	Very low	100 Å²	100	147.5 Å²	147.5	65%	0.649	80%	0.799	S	S	*	*				-93.7	176.4	-104.4	40.3	-28.3	0	0	0	115.4
411	A	29.4	Very low	33	Very low	96 Å²	96	147.6 Å²	147.6	79%	0.793	79%	0.792	S	S	*	*			trans	-150.2	146.6	150	0	0	0	0	0	112
412	V	37.4	Very low	33.1	Very low	138 Å²	138	147.7 Å²	147.7	84%	0.836	79%	0.788	S	S	*	*			trans	-140.3	128	170.7	-166.5	0	0	0	0	108.3
413	P	40	Very low	33.1	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	78%	0.781	S	S	*	*				-139.6	141.7	124.4	21.4	-1.3	0	0	0	111.2
414	Q	32.9	Very low	33.3	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	78%	0.783	S	S	*	*				96.9	94.7	50.4	-171.3	174.1	-12	0	0	114.5
415	A	34.8	Very low	33.7	Very low	76 Å²	76	143.7 Å²	143.7	63%	0.628	78%	0.779	S	S	*	*			trans	77.1	140.7	135.9	0	0	0	0	0	124.8
416	Q	33.7	Very low	33.9	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.813	77%	0.774	S	S	*	*			trans	87.7	103.2	139.6	-81.9	166.5	-75.3	0	0	123.9
417	N	31.5	Very low	33.9	Very low	134 Å²	134	149.3 Å²	149.3	72%	0.717	78%	0.775	S	S	*	*				77.5	104	112.3	-172.6	29.4	0	0	0	121.4
418	R	29.3	Very low	33.8	Very low	238 Å²	238	142.3 Å²	142.3	90%	0.898	76%	0.763	S	S	*	*				-167.9	179.2	119.6	-115.4	179.1	170.2	174.6	-2.9	114.9
419	T	27.3	Very low	34	Very low	118 Å²	118	141.1 Å²	141.1	72%	0.724	76%	0.761	S	S	*	*			trans	-106.1	175.1	-163.5	-25.6	0	0	0	0	114
420	T	29	Very low	34	Very low	112 Å²	112	140.5 Å²	140.5	69%	0.687	76%	0.757	S	S	*	*			trans	89	120.7	147.1	32	0	0	0	0	123.1
421	Y	29.7	Very low	32.7	Very low	195 Å²	195	146.1 Å²	146.1	77%	0.765	77%	0.766	S	S	*	*			trans	81.2	135.6	138.8	-82.9	-62.8	0	0	0	124.7
422	Y	31	Very low	33.3	Very low	213 Å²	213	147.8 Å²	147.8	84%	0.835	77%	0.768	S	S	*	*			trans	68.4	148.5	154.9	-76	-67.7	0	0	0	123
423	A	32.1	Very low	32.9	Very low	84 Å²	84	147.7 Å²	147.7	69%	0.694	76%	0.763	S	S	*	*			trans	-119.9	175.9	166.2	0	0	0	0	0	107.2
424	P	48.2	Very low	33.4	Very low	112 Å²	112	147.3 Å²	147.3	73%	0.727	76%	0.761	S	S	*	*			cis	-150.4	-178.2	41.6	42.7	-20.9	0	0	0	118.5
425	N	32.5	Very low	33.1	Very low	149 Å²	149	150 Å²	150	80%	0.797	76%	0.764	S	S	*	*			trans	41.6	130.4	151.7	-70.3	-2.2	0	0	0	122.8
426	Q	35.3	Very low	33	Very low	171 Å²	171	156.9 Å²	156.9	80%	0.799	77%	0.773	S	S	*	*				-176.4	175.8	98	-95.9	-156.8	87.8	0	0	115.7
427	L	29.6	Very low	32.9	Very low	151 Å²	151	157.6 Å²	157.6	79%	0.791	78%	0.777	S	S	*	*			trans	-40.6	171.4	178.8	-81.3	56.3	0	0	0	118.7
428	A	30	Very low	33.2	Very low	78 Å²	78	158.6 Å²	158.6	65%	0.645	78%	0.777	S	S	*	*			cis	177.5	-177.9	-24.4	0	0	0	0	0	110.5
429	Q	33.4	Very low	33.3	Very low	175 Å²	175	155.9 Å²	155.9	82%	0.818	77%	0.774	S	S	*	*			trans	77.2	152.1	165.9	-55.8	-161.3	50.6	0	0	117.5
430	M	30.1	Very low	33.5	Very low	145 Å²	145	154 Å²	154	71%	0.714	78%	0.778	S	S	*	*			cis	-158.4	147.1	-15	-106.2	-75.4	-168.3	0	0	111.6
431	R	28.8	Very low	33.6	Very low	218 Å²	218	152.4 Å²	152.4	82%	0.823	78%	0.784	S	S	*	*			trans	6.2	157	147.6	-83.2	178.3	-179.7	-137.3	-3.4	122.7
432	P	42.3	Very low	33.7	Very low	131 Å²	131	155.4 Å²	155.4	85%	0.851	79%	0.794	S	S	*	*			cis	-143.1	-169.7	49.2	39.9	-18.1	0	0	0	119.2
433	N	30.6	Very low	33.7	Very low	137 Å²	137	149 Å²	149	73%	0.733	79%	0.793	S	S	*	*			trans	-125.7	163.4	-166.9	-156.6	25.4	0	0	0	109.7
434	P	48.9	Very low	33.6	Very low	109 Å²	109	154.6 Å²	154.6	71%	0.708	81%	0.805	S	S	*	*				-144.4	-164.4	72.5	40.5	-19.2	0	0	0	112.6
435	R	27.8	Very low	32.7	Very low	231 Å²	231	153.1 Å²	153.1	87%	0.872	81%	0.81	S	S	*	*			cis	-149.4	-173.4	10	-159.3	163.4	170.8	131.9	0.1	111.7
436	W	33	Very low	32.6	Very low	220 Å²	220	149.4 Å²	149.4	83%	0.833	81%	0.807	S	S	*	*			trans	-88.5	147.9	-168.7	-70.6	102.9	0	0	0	119.3
437	Q	31.6	Very low	32.3	Very low	189 Å²	189	151.3 Å²	151.3	88%	0.883	81%	0.813	S	S	*	*				-177.6	161.9	107.3	-94.1	-177.7	5.2	0	0	109.4
438	Q	36.6	Very low	32.4	Very low	155 Å²	155	153.1 Å²	153.1	72%	0.724	82%	0.817	S	S	*	*				-157.5	160.7	-51.6	-163.7	-160.2	64.2	0	0	107.4
439	Q	31.1	Very low	32.3	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	83%	0.827	S	S	*	*			trans	73.5	115.8	162.8	-155.8	172.9	91.6	0	0	114.9
440	G	31.6	Very low	32.1	Very low	78 Å²	78	153.9 Å²	153.9	80%	0.804	83%	0.832	S	S	*	*			cis	129	128.8	12.9	0	0	0	0	0	107.7
441	G	32.1	Very low	33.1	Very low	79 Å²	79	152.1 Å²	152.1	81%	0.814	83%	0.831	S	S	*	*			cis	121.7	137.4	24.5	0	0	0	0	0	107.1
442	R	32.1	Very low	33.2	Very low	258 Å²	258	148.7 Å²	148.7	97%	0.974	83%	0.829	S	S	*	*			cis	-148.3	-177.3	13	-75.9	177.5	171.8	178.5	-2.8	107.3
443	G	30.1	Very low	32.7	Very low	79 Å²	79	146.8 Å²	146.8	81%	0.814	82%	0.819	S	S	*	*			cis	152.3	158.1	1.2	0	0	0	0	0	109.7
444	Q	30.3	Very low	32.7	Very low	202 Å²	202	148 Å²	148	94%	0.944	83%	0.825	S	S	*	*			trans	-128.7	140.1	-163.7	179.8	-171.3	57.7	0	0	113
445	G	30	Very low	31.8	Very low	80 Å²	80	154 Å²	154	83%	0.825	83%	0.833	S	S	*	*			trans	73.8	158	171.6	0	0	0	0	0	115.6
446	G	28.5	Very low	32.1	Very low	72 Å²	72	151 Å²	151	74%	0.742	83%	0.829	S	S	*	*			cis	125.1	114	-11.7	0	0	0	0	0	114.7
447	F	29.9	Very low	32.8	Very low	211 Å²	211	146.5 Å²	146.5	93%	0.925	83%	0.829	S	S	*	*			trans	-167.9	173.7	152.8	-129.9	-96.1	0	0	0	111.9
448	Q	30.9	Very low	32.9	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	82%	0.817	S	S	*	*			trans	-112.1	157.8	-173.7	-62.2	171.7	-75	0	0	114
449	G	28.3	Very low	33.6	Very low	83 Å²	83	139.3 Å²	139.3	86%	0.856	82%	0.823	S	S	*	*			trans	-169.2	145.2	168.2	0	0	0	0	0	112.2
450	M	28.7	Very low	33.5	Very low	187 Å²	187	142.8 Å²	142.8	92%	0.921	83%	0.828	S	S	*	*			trans	-129.7	-179.7	-175	-121.1	-163.5	169.8	0	0	109.7
451	P	52.8	Low	33.5	Very low	107 Å²	107	143.7 Å²	143.7	70%	0.695	82%	0.822	S	S	*	*			cis	-117.2	-161.6	-15.4	31	-7.7	0	0	0	110.6
452	N	29.5	Very low	33.5	Very low	146 Å²	146	148 Å²	148	78%	0.781	83%	0.827	S	S	*	*			cis	-174	172.8	39.5	-168.2	14.4	0	0	0	112.9
453	S	31.6	Very low	33.6	Very low	91 Å²	91	142.3 Å²	142.3	64%	0.636	82%	0.815	S	S	*	*			trans	86.7	114.9	152.4	73	0	0	0	0	122.9
454	L	31.3	Very low	33.8	Very low	162 Å²	162	148.1 Å²	148.1	85%	0.848	81%	0.812	S	S	*	*			trans	79.2	138.7	134	-97.6	67.1	0	0	0	125.2
455	R	30.7	Very low	34.1	Very low	236 Å²	236	144.9 Å²	144.9	89%	0.891	80%	0.797	S	S	*	*			trans	69.7	94.3	154.4	-79.8	-172	166.2	-161.7	-4	122.1
456	Q	32.8	Very low	34.2	Very low	167 Å²	167	149 Å²	149	78%	0.78	80%	0.796	S	S	*	*				-60.3	167.1	125.2	-79.9	-89.2	0.6	0	0	110.4
457	P	48.3	Very low	34.5	Very low	127 Å²	127	151.2 Å²	151.2	83%	0.825	80%	0.796	S	S	*	*			cis	-140.3	168.2	27.2	42.7	-24.5	0	0	0	118.9
458	G	33.4	Very low	35.6	Very low	61 Å²	61	147.2 Å²	147.2	63%	0.629	79%	0.791	S	S	*	*			trans	141.8	122.7	150.3	0	0	0	0	0	116
459	P	52	Low	35.8	Very low	132 Å²	132	143.3 Å²	143.3	86%	0.857	78%	0.784	S	S	*	*			trans	-100.1	153.7	179.8	37.3	-33	0	0	0	113.6
460	R	28.7	Very low	35.9	Very low	253 Å²	253	145.3 Å²	145.3	96%	0.955	79%	0.786	S	S	*	*			trans	-147.3	149.8	156	-123	174.4	-176.7	167.6	1.8	113.5
461	S	30.9	Very low	36	Very low	97 Å²	97	140.1 Å²	140.1	68%	0.678	78%	0.779	S	S	*	*			trans	-81.6	163.3	-171.9	52.5	0	0	0	0	114.5
462	N	32.8	Very low	35	Very low	170 Å²	170	139.5 Å²	139.5	91%	0.909	78%	0.783	S	S	*	*			trans	-137.6	159.6	141.3	-109.9	-21.2	0	0	0	110.9
463	L	33.7	Very low	35.1	Very low	138 Å²	138	142 Å²	142	72%	0.723	79%	0.79	S	S	*	*			trans	-153.7	161.6	-153.8	-165.6	76.9	0	0	0	111.5
464	R	34.2	Very low	34.9	Very low	200 Å²	200	140.9 Å²	140.9	76%	0.755	79%	0.793	S	S	*	*			trans	77.9	154.1	163.5	-51.4	-163.7	137	156.2	1.5	116.7
465	H	37.4	Very low	35.7	Very low	135 Å²	135	138.7 Å²	138.7	63%	0.625	79%	0.789	S	S	*	*			cis	-169.8	156.7	-26.4	-99.8	-46.1	0	0	0	108.1
466	M	31.9	Very low	35.7	Very low	165 Å²	165	139.4 Å²	139.4	81%	0.813	79%	0.792	S	S	*	*				167	149.2	113.7	-85.9	-89.4	86.1	0	0	111.9
467	T	34.4	Very low	35.6	Very low	119 Å²	119	135.1 Å²	135.1	73%	0.73	79%	0.793	S	S	*	*			trans	-139.4	164	165.3	52.8	0	0	0	0	108.4
468	P	53.1	Low	34.8	Very low	128 Å²	128	134.2 Å²	134.2	83%	0.831	80%	0.796	S	S	*	*				-143.3	-159.3	119.7	39.9	-26.7	0	0	0	111.6
469	S	34.5	Very low	34.6	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	80%	0.798	S	S	*	*				-169.7	155.8	-73.4	-164.7	0	0	0	0	109.1
470	S	32.3	Very low	33.7	Very low	126 Å²	126	137 Å²	137	88%	0.881	80%	0.799	S	S	*	*			trans	53.8	152.2	177.7	53	0	0	0	0	117.2
471	G	30.6	Very low	33.8	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	79%	0.787	S	S	*	*			cis	175.6	175.6	-3.8	0	0	0	0	0	108.7
472	A	31	Very low	33.7	Very low	94 Å²	94	134.7 Å²	134.7	78%	0.777	80%	0.799	S	S	*	*			cis	-167.8	-177.4	-10.4	0	0	0	0	0	109.6
473	Q	31.7	Very low	33.6	Very low	198 Å²	198	130.1 Å²	130.1	93%	0.925	79%	0.792	S	S	*	*			trans	74	151.8	168.6	-56.2	-176.7	5.6	0	0	119.3
474	G	27.3	Very low	33.9	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	80%	0.798	S	S	*	*			trans	-120.4	-146.2	170.4	0	0	0	0	0	110.4
475	P	48.2	Very low	33.7	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	81%	0.807	S	S	*	*			cis	-148	177.2	22.1	44.4	-24.9	0	0	0	118.8
476	R	31.4	Very low	33.4	Very low	250 Å²	250	134.9 Å²	134.9	94%	0.943	82%	0.82	S	S	*	*			trans	68.6	129.1	145.1	-83.6	173.8	175.3	-177.4	-1.8	123.1
477	G	29.8	Very low	33.4	Very low	78 Å²	78	132.6 Å²	132.6	80%	0.804	82%	0.82	S	S	*	*			trans	137.9	135.2	144	0	0	0	0	0	115
478	A	30.7	Very low	33.2	Very low	108 Å²	108	135.7 Å²	135.7	89%	0.893	83%	0.828	S	S	*	*			cis	-169.7	150.2	-39	0	0	0	0	0	108.5
479	G	29.6	Very low	32.1	Very low	66 Å²	66	133.5 Å²	133.5	68%	0.68	83%	0.829	S	S	*	*			trans	104	127.6	-179.8	0	0	0	0	0	112.9
480	Q	32.7	Very low	32.1	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	84%	0.836	S	S	*	*			cis	72.9	131.8	44.2	-59	-167.5	52.4	0	0	113.2
481	T	31.3	Very low	32.2	Very low	117 Å²	117	134.1 Å²	134.1	72%	0.718	83%	0.833	S	S	*	*			cis	-159.5	161.2	0.3	4.3	0	0	0	0	113
482	M	29.2	Very low	32.7	Very low	186 Å²	186	133.5 Å²	133.5	92%	0.916	83%	0.827	S	S	*	*			trans	4.3	135.7	153.1	-68.2	-81.8	-84.5	0	0	121.2
483	G	31.5	Very low	33.3	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	83%	0.832	S	S	*	*			trans	153.2	106.6	149.7	0	0	0	0	0	117.3
484	P	39.8	Very low	33.4	Very low	132 Å²	132	137.9 Å²	137.9	86%	0.857	83%	0.832	S	S	*	*			trans	-99.9	130.7	172.6	34.8	-28.9	0	0	0	113
485	R	29.2	Very low	33.7	Very low	250 Å²	250	139.4 Å²	139.4	94%	0.943	84%	0.838	S	S	*	*			trans	-145.4	147.1	160.9	-156.9	170.8	-175.5	-174.6	0.6	111.4
486	Q	32.1	Very low	33.2	Very low	190 Å²	190	142.4 Å²	142.4	89%	0.888	84%	0.844	S	S	*	*			trans	-79.2	150.3	-169.3	-61.1	154.9	-29.9	0	0	112.9
487	S	30.4	Very low	33.6	Very low	118 Å²	118	135 Å²	135	83%	0.825	83%	0.829	S	S	*	*			trans	-149.4	139.8	148	62.3	0	0	0	0	112.7
488	M	30.9	Very low	34.1	Very low	183 Å²	183	137.2 Å²	137.2	90%	0.901	83%	0.828	S	S	*	*			trans	4.2	109.1	162.5	-54.7	-62.1	-92.9	0	0	118.6
489	G	30.2	Very low	34	Very low	82 Å²	82	142.7 Å²	142.7	85%	0.845	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-91	123.3	159.8	0	0	0	0	0	111.5
490	V	34.8	Very low	34	Very low	144 Å²	144	149.3 Å²	149.3	87%	0.873	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-96.7	128.3	169.6	179.3	0	0	0	0	109
491	A	34.1	Very low	33.8	Very low	101 Å²	101	151.3 Å²	151.3	84%	0.835	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-82.4	125.8	-172.6	0	0	0	0	0	112.9
492	G	41.9	Very low	33.7	Very low	63 Å²	63	150.4 Å²	150.4	65%	0.649	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-82.9	150.4	162.2	0	0	0	0	0	111.7
493	P	43.3	Very low	33.8	Very low	136 Å²	136	147.8 Å²	147.8	88%	0.883	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-68.3	138.4	-178.1	27.3	-34.2	0	0	0	112.6
494	R	32.3	Very low	33.9	Very low	249 Å²	249	149.6 Å²	149.6	94%	0.94	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.2	177.6	-80.9	175.6	160.4	166.7	-6.9	112
495	A	35.1	Very low	33.6	Very low	99 Å²	99	150.4 Å²	150.4	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-88	153	164.3	0	0	0	0	0	111.5
496	M	37.9	Very low	33.5	Very low	180 Å²	180	149.9 Å²	149.9	89%	0.887	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-98.7	152.2	176.7	-76.3	-73.3	-81.6	0	0	111.9
497	P	39.7	Very low	33.5	Very low	96 Å²	96	147.2 Å²	147.2	62%	0.623	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-82.2	158.9	-169	32.8	-36.8	0	0	0	114.7
498	P	40.3	Very low	33.7	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-87.9	144.4	-176	34.6	-35.2	0	0	0	113.9
499	Y	28	Very low	33.7	Very low	224 Å²	224	144.8 Å²	144.8	88%	0.878	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.8	154	167.7	-87.2	-94.5	0	0	0	112.4
500	K	30	Very low	34	Very low	205 Å²	205	145.8 Å²	145.8	89%	0.891	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.5	142.6	-167.3	-59.3	175	-177	175.8	0	112
501	Y	28.8	Very low	33.8	Very low	226 Å²	226	147.3 Å²	147.3	89%	0.886	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.6	148.8	166.3	-95.4	-97.5	0	0	0	111.6
502	A	29.1	Very low	33.7	Very low	97 Å²	97	148.3 Å²	148.3	80%	0.802	80%	0.803	S	S	*	*			trans	-133.9	142.7	160.4	0	0	0	0	0	108.4
503	T	31.2	Very low	33	Very low	132 Å²	132	150.7 Å²	150.7	81%	0.81	80%	0.804	S	S	*	*			trans	-115.6	117	-168.3	-52	0	0	0	0	111.2
504	S	34	Very low	32.3	Very low	112 Å²	112	153.4 Å²	153.4	78%	0.783	81%	0.806	S	S	*	*			trans	177.2	133.5	145.5	-84	0	0	0	0	112.1
505	V	31.6	Very low	32.2	Very low	148 Å²	148	143.7 Å²	143.7	90%	0.897	77%	0.774	S	S	*	*			trans	153.6	147.3	135.1	164.9	0	0	0	0	109.9
506	R	28.7	Very low	31.8	Very low	239 Å²	239	145.9 Å²	145.9	90%	0.902	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-89	136.7	-165.8	-173.2	179.4	-174.2	171.9	0.1	111.3	P508	R506-P508 WeakPolarHBondContact O-CD 3.34Å
507	N	30.5	Very low	31.4	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-98.7	122.5	-174.8	-170.9	56.5	0	0	0	113
508	P	35.1	Very low	30.8	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-98.6	133.9	157.7	34.4	-26.6	0	0	0	110.5	R506 P510	R506-P508 WeakPolarHBondContact O-CD 3.34Å; P508-P510 WeakPolarHBondContact O-CD 3.22Å
509	N	31.6	Very low	30.3	Very low	142 Å²	142	146 Å²	146	76%	0.759	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-92.5	122.3	-168.3	-162	67	0	0	0	112.8
510	P	36.6	Very low	30.4	Very low	104 Å²	104	143.9 Å²	143.9	68%	0.675	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-77	144.3	170.8	-11.8	28.7	0	0	0	111.9	P508	P508-P510 WeakPolarHBondContact O-CD 3.22Å
511	Q	29.5	Very low	30.2	Very low	175 Å²	175	141 Å²	141	82%	0.818	76%	0.763	S	S	*	*			trans	-73.7	179.8	154.5	-62.3	179.3	-31.4	0	0	109.1
512	V	31.8	Very low	30.2	Very low	122 Å²	122	138.1 Å²	138.1	74%	0.739	76%	0.758	S	S	*	*				-177.8	126.8	86.4	146.7	0	0	0	0	110.3
513	V	27.4	Very low	30.2	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.685	76%	0.76	S	S	*	*			trans	55.6	111	143	-179.7	0	0	0	0	119.8	P515	V513-P515 HydrophobicContact CG1-CB 3.83Å
514	Q	29.6	Very low	30	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	76%	0.756	S	S	*	*			trans	-72.4	134.3	136.7	-86.1	-158.8	74.1	0	0	109
515	P	30.8	Very low	29.6	Very low	44 Å²	44	138.8 Å²	138.8	29%	0.286	76%	0.759	S	S	.	*			trans	-109.3	160.3	-173.7	41.1	-34.6	0	0	0	114.6	M383 V513	M383-P515 HydrophobicContact CB-CB 3.56Å; M383-P515 HydrophobicContact CB-CG 3.56Å; M383-P515 HydrophobicContact CE-CB 4.19Å; M383-P515 HydrophobicContact CE-CG 3.83Å; M383-P515 WeakPolarHBondContact CE-O 3.47Å; M383-P515 HydrophobicContact CG-CB 4.08Å; M383-P515 HydrophobicContact CG-CG 4.08Å; M383-P515 HydrophobicContact SD-CB 3.41Å; M383-P515 WeakPolarHBondContact SD-CB 3.45Å; M383-P515 HydrophobicContact SD-CG 3.65Å; V513-P515 HydrophobicContact CG1-CB 3.83Å
516	I	26.1	Very low	29.6	Very low	146 Å²	146	139.6 Å²	139.6	75%	0.749	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-92.2	121.8	-166.1	-61.7	165.4	0	0	0	113	M383 V518	M383-I516 PolarHBondContact SD-N 3.24Å; I516-V518 PolarHBondContact O-N 2.83Å
517	V	29.7	Very low	29.9	Very low	106 Å²	106	134.9 Å²	134.9	64%	0.642	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-75.8	117.5	168.7	-171.4	0	0	0	0	109.4	T379 M383 Q519	T379-V517 HydrophobicContact CG2-CG2 4.2Å; M383-V517 HydrophobicContact CE-CB 4.49Å; M383-V517 HydrophobicContact CE-CG2 3.7Å; V517-Q519 PolarHBondContact O-N 3.02Å
518	V	26.6	Very low	29.7	Very low	125 Å²	125	137.4 Å²	137.4	76%	0.758	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-69.8	118.7	170.3	-177.5	0	0	0	0	108.9	I516	I516-V518 PolarHBondContact O-N 2.83Å
519	Q	30.7	Very low	29.8	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-99.9	153.3	172.2	-170.3	159.6	-19.7	0	0	110.8	V517	V517-Q519 PolarHBondContact O-N 3.02Å
520	Q	29.4	Very low	30.1	Very low	179 Å²	179	136.1 Å²	136.1	84%	0.836	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.4	150.4	-173	-65.5	161.9	-78.2	0	0	112.8	Q522	Q520-Q522 PolarHBondContact O-N 2.86Å
521	T	26.1	Very low	30.5	Very low	144 Å²	144	138.2 Å²	138.2	88%	0.883	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-56.4	120.2	173.6	48.1	0	0	0	0	112.2
522	Q	29	Very low	31.7	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	75%	0.749	S	S	*	*			trans	-107.3	157.2	154.7	-72.4	-167.9	7.8	0	0	108.3	Q520 A524	Q520-Q522 PolarHBondContact O-N 2.86Å; Q522-A524 PolarHBondContact O-N 3.23Å
523	P	28.5	Very low	33.1	Very low	129 Å²	129	130.3 Å²	130.3	84%	0.838	72%	0.721	S	S	*	*			trans	-62.6	125	-166.6	23.1	-34.1	0	0	0	112.3	V525	P523-V525 PolarHBondContact O-N 2.84Å
524	A	26.1	Very low	35	Very low	89 Å²	89	128 Å²	128	74%	0.736	71%	0.708	S	S	*	*			trans	-73.4	113.8	-179.7	0	0	0	0	0	110.9	Q522 H526	Q522-A524 PolarHBondContact O-N 3.23Å; A524-H526 PolarHBondContact O-N 2.87Å; A524-H526 VanDerWaalsContact O-N 3.15Å
525	V	27.3	Very low	36.6	Very low	138 Å²	138	121.8 Å²	121.8	84%	0.836	69%	0.689	S	S	*	*			trans	-68.6	107.8	161.5	-179.4	0	0	0	0	107.2	P523 V527	P523-V525 PolarHBondContact O-N 2.84Å; V525-V527 PolarHBondContact O-N 3.39Å
526	H	30.5	Very low	38.2	Very low	165 Å²	165	124.3 Å²	124.3	76%	0.764	71%	0.708	S	S	*	*			trans	-69.5	127.1	-175.7	-124.6	77.5	0	0	0	110.9	A524	A524-H526 PolarHBondContact O-N 2.87Å; A524-H526 VanDerWaalsContact O-N 3.15Å
527	V	35.7	Very low	40.2	Very low	140 Å²	140	121.9 Å²	121.9	85%	0.848	70%	0.695	S	S	*	*			trans	-129.1	137.8	157.6	-174.5	0	0	0	0	107.2	V525	V525-V527 PolarHBondContact O-N 3.39Å
528	Q	26.7	Very low	42.1	Very low	187 Å²	187	117.1 Å²	117.1	87%	0.874	67%	0.666	S	S	*	*			trans	-98	123.3	-150.5	-162.8	172.6	9.6	0	0	113
529	G	37.3	Very low	44.3	Very low	69 Å²	69	115 Å²	115	71%	0.711	66%	0.661	S	S	*	*	S	Bend	trans	87.1	67.1	151.9	0	0	0	0	0	119.2
530	Q	37.6	Very low	46.4	Very low	154 Å²	154	111.1 Å²	111.1	72%	0.72	66%	0.658	S	S	*	*			trans	-161.7	152.8	145.6	-115	-177.4	51.1	0	0	111.1
531	E	44.1	Very low	48.6	Very low	147 Å²	147	103.4 Å²	103.4	69%	0.687	63%	0.625	S	S	*	*			trans	-67	147.3	-179.2	-68.2	-166.8	135	0	0	112.9	L533 R553	E531-L533 PolarHBondContact O-N 2.82Å; E531-R553 VanDerWaalsContact O-CZ 3.3Å; E531-R553 PolarHBondContact O-NH1 3.19Å; E531-R553 PolarHBondContact O-NH2 3.44Å
532	P	55.9	Low	51	Low	101 Å²	101	99.7 Å²	99.7	66%	0.656	60%	0.603	S	S	*	*			trans	-67.4	125.9	178.3	28	-34.4	0	0	0	111	T534	P532-T534 PolarHBondContact O-N 3.28Å
533	L	60	Low	53.2	Low	30 Å²	30	96.6 Å²	96.6	16%	0.157	60%	0.597	C	S	.	*			trans	-81	84.7	-171.7	-149.3	155.9	0	0	0	110.2	E531 L538 M549 R553	E531-L533 PolarHBondContact O-N 2.82Å; L533-L538 HydrophobicContact CD2-CB 4.34Å; L533-L538 HydrophobicContact CD2-CD1 3.88Å; L533-M549 HydrophobicContact CD1-CB 4.05Å; L533-R553 HydrophobicContact CD1-CG 3.83Å
534	T	67.4	Low	55.3	Low	66 Å²	66	98.8 Å²	98.8	41%	0.405	60%	0.596	S	S	.	*			trans	-68.1	148.7	-172.9	70.5	0	0	0	0	112.5	P532 S536 M537 L538	P532-T534 PolarHBondContact O-N 3.28Å; T534-S536 PolarHBondContact O-N 2.94Å; T534-M537 WeakPolarHBondContact O-CB 3.49Å; T534-M537 PolarHBondContact O-N 2.75Å; T534-M537 WeakPolarHBondContact OG1-CG 3.49Å; T534-L538 PolarHBondContact O-N 3.22Å
535	A	64	Low	57.9	Low	63 Å²	63	99.5 Å²	99.5	52%	0.521	58%	0.584	S	S	.	*	H	α-helix	trans	-54.9	-26.6	175.9	0	0	0	0	0	113.6	A539 L582	A535-A539 VanDerWaalsContact O-CB 3.29Å; A535-A539 WeakPolarHBondContact O-CB 3.13Å; A535-A539 PolarHBondContact O-N 2.76Å; A535-L582 HydrophobicContact CB-CD1 3.93Å
536	S	64.5	Low	60.4	Low	97 Å²	97	94.5 Å²	94.5	68%	0.678	55%	0.552	S	S	*	*	H	α-helix	trans	-73.9	-27.1	176.4	-168	0	0	0	0	113.7	T534	T534-S536 PolarHBondContact O-N 2.94Å
537	M	67.8	Low	62.8	Low	95 Å²	95	89.6 Å²	89.6	47%	0.468	53%	0.528	S	S	.	.	H	α-helix	trans	-77.9	-43.8	173.5	-65.7	163.2	74.9	0	0	109.8	T534 A539 A540	T534-M537 WeakPolarHBondContact O-CB 3.49Å; T534-M537 PolarHBondContact O-N 2.75Å; T534-M537 WeakPolarHBondContact OG1-CG 3.49Å; M537-A539 VanDerWaalsContact C-N 3.34Å; M537-A539 PolarHBondContact O-N 2.94Å; M537-A540 PolarHBondContact O-N 3.26Å
538	L	69.6	Low	65.1	Low	6 Å²	6	88.5 Å²	88.5	3%	0.031	51%	0.514	C	S	.	.	H	α-helix	trans	-59.3	-44.4	176.8	-159.8	83.4	0	0	0	111.6	L533 T534 A540 A541 Q546 M549 L550 N578 L582	L533-L538 HydrophobicContact CD2-CB 4.34Å; L533-L538 HydrophobicContact CD2-CD1 3.88Å; T534-L538 PolarHBondContact O-N 3.22Å; L538-A540 PolarHBondContact O-N 3.47Å; L538-A540 VanDerWaalsContact O-N 3.16Å; L538-A541 PolarHBondContact O-N 2.68Å; L538-Q546 HydrophobicContact CD1-CB 4.05Å; L538-Q546 HydrophobicContact CD1-CG 4.36Å; L538-Q546 HydrophobicContact CG-CB 4.08Å; L538-Q546 HydrophobicContact CG-CG 4.03Å; L538-Q546 VanDerWaalsContact O-CD 3.25Å; L538-Q546 VanDerWaalsContact O-CG 3.26Å; L538-Q546 WeakPolarHBondContact O-CG 3.13Å; L538-Q546 PolarHBondContact O-NE2 3.17Å; L538-M549 HydrophobicContact CD1-CB 4.41Å; L538-M549 HydrophobicContact CD1-CE 4.1Å; L538-L550 HydrophobicContact CD1-CD1 4.27Å; L538-L550 HydrophobicContact CD1-CD2 4.28Å; L538-L550 HydrophobicContact CD1-CG 3.9Å; L538-L550 HydrophobicContact CD2-CD1 3.94Å; L538-L550 HydrophobicContact CD2-CD2 4.46Å; L538-L550 HydrophobicContact CD2-CG 4.34Å; L538-N578 HydrophobicContact CD2-CB 3.96Å; L538-L582 HydrophobicContact CD2-CD1 3.96Å; L538-L582 HydrophobicContact CD2-CG 4.32Å
539	A	71.6	Confident	67.5	Low	81 Å²	81	82 Å²	82	67%	0.669	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.7	-179.8	0	0	0	0	0	114.9	A535 M537	A535-A539 VanDerWaalsContact O-CB 3.29Å; A535-A539 WeakPolarHBondContact O-CB 3.13Å; A535-A539 PolarHBondContact O-N 2.76Å; M537-A539 VanDerWaalsContact C-N 3.34Å; M537-A539 PolarHBondContact O-N 2.94Å
540	A	76.1	Confident	69.8	Low	87 Å²	87	78.7 Å²	78.7	72%	0.719	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-17.9	178.3	0	0	0	0	0	113.6	M537 L538	M537-A540 PolarHBondContact O-N 3.26Å; L538-A540 PolarHBondContact O-N 3.47Å; L538-A540 VanDerWaalsContact O-N 3.16Å
541	A	74.6	Confident	72	Confident	17 Å²	17	71.8 Å²	71.8	14%	0.14	42%	0.421	C	S	.	.	S	Bend	trans	-89.6	152.9	-176.8	0	0	0	0	0	112.9	L538 E545 Q546 M549	L538-A541 PolarHBondContact O-N 2.68Å; A541-E545 HydrophobicContact CB-CB 4.22Å; A541-Q546 HydrophobicContact CB-CG 4.17Å; A541-Q546 PolarHBondContact O-NE2 3.41Å; A541-M549 HydrophobicContact CB-CE 3.36Å
542	P	77.1	Confident	74	Confident	67 Å²	67	70.4 Å²	70.4	44%	0.435	42%	0.415	S	S	.	.			trans	-53.9	145.3	169.2	-26.3	35.4	0	0	0	112.8	Q544 E545 Q546	P542-Q544 PolarHBondContact O-N 2.73Å; P542-E545 WeakPolarHBondContact CD-OE2 3.38Å; P542-E545 PolarHBondContact O-N 3.02Å; P542-Q546 WeakPolarHBondContact O-CG 3.24Å; P542-Q546 PolarHBondContact O-N 3.26Å
543	P	74.1	Confident	75.4	Confident	100 Å²	100	68.7 Å²	68.7	65%	0.649	40%	0.395	S	S	*	.	H	α-helix	trans	-55.3	-30.1	-173.3	-29	35.9	0	0	0	115.7	K547	P543-K547 PolarHBondContact O-N 3.23Å
544	Q	74.3	Confident	76.6	Confident	175 Å²	175	67.3 Å²	67.3	82%	0.818	39%	0.387	S	S	*	.	H	α-helix	trans	-73.1	-39.9	177.9	-167	167	-6.6	0	0	111.9	P542 K547 Q548	P542-Q544 PolarHBondContact O-N 2.73Å; Q544-K547 PolarHBondContact O-N 2.97Å; Q544-Q548 PolarHBondContact O-N 3.16Å
545	E	79.8	Confident	77.6	Confident	104 Å²	104	67.9 Å²	67.9	49%	0.486	38%	0.384	S	S	.	.	H	α-helix	trans	-68.5	-33.5	172.8	-69	172.6	-146.2	0	0	111.8	A541 P542 K547 Q548 M549	A541-E545 HydrophobicContact CB-CB 4.22Å; P542-E545 WeakPolarHBondContact CD-OE2 3.38Å; P542-E545 PolarHBondContact O-N 3.02Å; E545-K547 VanDerWaalsContact C-N 3.32Å; E545-K547 PolarHBondContact O-N 2.83Å; E545-Q548 PolarHBondContact O-N 3.48Å; E545-M549 WeakPolarHBondContact O-CB 3.41Å; E545-M549 WeakPolarHBondContact O-CG 3.46Å; E545-M549 PolarHBondContact O-N 3.16Å
546	Q	79.6	Confident	78.7	Confident	33 Å²	33	68.1 Å²	68.1	15%	0.154	38%	0.381	C	S	.	.	H	α-helix	trans	-58	-44.1	173.5	-63.1	-176	21.1	0	0	112	L538 A541 P542 L550 N578	L538-Q546 HydrophobicContact CD1-CB 4.05Å; L538-Q546 HydrophobicContact CD1-CG 4.36Å; L538-Q546 HydrophobicContact CG-CB 4.08Å; L538-Q546 HydrophobicContact CG-CG 4.03Å; L538-Q546 VanDerWaalsContact O-CD 3.25Å; L538-Q546 VanDerWaalsContact O-CG 3.26Å; L538-Q546 WeakPolarHBondContact O-CG 3.13Å; L538-Q546 PolarHBondContact O-NE2 3.17Å; A541-Q546 HydrophobicContact CB-CG 4.17Å; A541-Q546 PolarHBondContact O-NE2 3.41Å; P542-Q546 WeakPolarHBondContact O-CG 3.24Å; P542-Q546 PolarHBondContact O-N 3.26Å; Q546-L550 WeakPolarHBondContact O-CG 3.32Å; Q546-L550 PolarHBondContact O-N 3.45Å; Q546-L550 VanDerWaalsContact O-N 3.14Å; Q546-N578 PolarHBondContact OE1-ND2 3.12Å
547	K	81.4	Confident	79.7	Confident	62 Å²	62	66.5 Å²	66.5	27%	0.27	36%	0.364	S	S	.	.	H	α-helix	trans	-67.8	-38.2	176.6	-65.8	-60.9	-167.6	-180	0	111.8	P543 Q544 E545 G551 L574 I576 N578	P543-K547 PolarHBondContact O-N 3.23Å; Q544-K547 PolarHBondContact O-N 2.97Å; E545-K547 VanDerWaalsContact C-N 3.32Å; E545-K547 PolarHBondContact O-N 2.83Å; K547-G551 PolarHBondContact O-N 2.91Å; K547-L574 HydrophobicContact CD-CD2 4.47Å; K547-L574 VanDerWaalsContact CD-O 3.31Å; K547-L574 WeakPolarHBondContact CD-O 3.42Å; K547-L574 WeakPolarHBondContact CE-O 3.28Å; K547-L574 PolarHBondContact NZ-O 3.28Å; K547-L574 VanDerWaalsContact O-CD2 3.27Å; K547-L574 WeakPolarHBondContact O-CD2 3.48Å; K547-I576 PolarHBondContact NZ-O 3.29Å; K547-N578 WeakPolarHBondContact CD-OD1 3.43Å; K547-N578 VanDerWaalsContact CE-OD1 3.23Å; K547-N578 WeakPolarHBondContact CE-OD1 3.4Å; K547-N578 PolarHBondContact NZ-OD1 3.21Å
548	Q	82.8	Confident	80.7	Confident	117 Å²	117	62 Å²	62	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-51.5	175.2	-179.1	173.8	-17.1	0	0	112	Q544 E545 L550 G551 E552	Q544-Q548 PolarHBondContact O-N 3.16Å; E545-Q548 PolarHBondContact O-N 3.48Å; Q548-L550 VanDerWaalsContact C-N 3.32Å; Q548-L550 PolarHBondContact O-N 3.44Å; Q548-G551 WeakPolarHBondContact O-CA 3.38Å; Q548-G551 PolarHBondContact O-N 3.17Å; Q548-E552 HydrophobicContact CG-CG 4.42Å; Q548-E552 VanDerWaalsContact CG-OE1 3.25Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.47Å; Q548-E552 PolarHBondContact NE2-OE1 3.4Å; Q548-E552 WeakPolarHBondContact O-CG 3.33Å; Q548-E552 PolarHBondContact O-N 3.44Å
549	M	78.8	Confident	81.6	Confident	50 Å²	50	66.2 Å²	66.2	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-39.9	178.8	-77.8	-169.5	-73.3	0	0	113.2	L533 L538 A541 E545 R553	L533-M549 HydrophobicContact CD1-CB 4.05Å; L538-M549 HydrophobicContact CD1-CB 4.41Å; L538-M549 HydrophobicContact CD1-CE 4.1Å; A541-M549 HydrophobicContact CB-CE 3.36Å; E545-M549 WeakPolarHBondContact O-CB 3.41Å; E545-M549 WeakPolarHBondContact O-CG 3.46Å; E545-M549 PolarHBondContact O-N 3.16Å; M549-R553 PolarHBondContact O-N 3.35Å
550	L	84.4	Confident	82.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-39.5	173.2	-71.3	170.5	0	0	0	111.2	L538 Q546 Q548 R553 L554 L574 N578 L581 L582 L585	L538-L550 HydrophobicContact CD1-CD1 4.27Å; L538-L550 HydrophobicContact CD1-CD2 4.28Å; L538-L550 HydrophobicContact CD1-CG 3.9Å; L538-L550 HydrophobicContact CD2-CD1 3.94Å; L538-L550 HydrophobicContact CD2-CD2 4.46Å; L538-L550 HydrophobicContact CD2-CG 4.34Å; Q546-L550 WeakPolarHBondContact O-CG 3.32Å; Q546-L550 PolarHBondContact O-N 3.45Å; Q546-L550 VanDerWaalsContact O-N 3.14Å; Q548-L550 VanDerWaalsContact C-N 3.32Å; Q548-L550 PolarHBondContact O-N 3.44Å; L550-R553 PolarHBondContact O-N 3.03Å; L550-L554 HydrophobicContact CB-CD1 4.36Å; L550-L554 VanDerWaalsContact O-CB 3.29Å; L550-L554 WeakPolarHBondContact O-CB 3.05Å; L550-L554 WeakPolarHBondContact O-CD1 3.4Å; L550-L554 VanDerWaalsContact O-CG 3.23Å; L550-L554 WeakPolarHBondContact O-CG 3.49Å; L550-L554 PolarHBondContact O-N 2.92Å; L550-L574 HydrophobicContact CB-CD2 3.89Å; L550-N578 HydrophobicContact CD1-CB 4.08Å; L550-L581 HydrophobicContact CD1-CB 3.93Å; L550-L581 HydrophobicContact CD1-CD1 3.89Å; L550-L581 HydrophobicContact CD2-CB 4.32Å; L550-L582 HydrophobicContact CD2-CD2 3.97Å; L550-L582 HydrophobicContact CD2-CG 4.26Å; L550-L585 HydrophobicContact CD2-CD1 3.72Å
551	G	84.3	Confident	82.7	Confident	10 Å²	10	65 Å²	65	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-45.5	178.2	0	0	0	0	0	112.9	K547 Q548 R553 L554 F555	K547-G551 PolarHBondContact O-N 2.91Å; Q548-G551 WeakPolarHBondContact O-CA 3.38Å; Q548-G551 PolarHBondContact O-N 3.17Å; G551-R553 VanDerWaalsContact C-N 3.25Å; G551-R553 PolarHBondContact O-N 3.06Å; G551-L554 PolarHBondContact O-N 3.34Å; G551-F555 WeakPolarHBondContact O-CB 3.12Å; G551-F555 PolarHBondContact O-N 3.36Å
552	E	86.8	Confident	83.3	Confident	118 Å²	118	67.3 Å²	67.3	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-28.4	178.2	-71.3	172.6	-170.7	0	0	112.9	Q548 P556	Q548-E552 HydrophobicContact CG-CG 4.42Å; Q548-E552 VanDerWaalsContact CG-OE1 3.25Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.47Å; Q548-E552 PolarHBondContact NE2-OE1 3.4Å; Q548-E552 WeakPolarHBondContact O-CG 3.33Å; Q548-E552 PolarHBondContact O-N 3.44Å; E552-P556 WeakPolarHBondContact O-CD 3.48Å
553	R	83.9	Confident	83.6	Confident	65 Å²	65	67 Å²	67	25%	0.245	36%	0.355	C	S	.	.	H	α-helix	trans	-87.9	-33.1	174.7	-66	-61.5	-177.2	88.2	2.4	113.8	E531 L533 M549 L550 G551 L585	E531-R553 VanDerWaalsContact O-CZ 3.3Å; E531-R553 PolarHBondContact O-NH1 3.19Å; E531-R553 PolarHBondContact O-NH2 3.44Å; L533-R553 HydrophobicContact CD1-CG 3.83Å; M549-R553 PolarHBondContact O-N 3.35Å; L550-R553 PolarHBondContact O-N 3.03Å; G551-R553 VanDerWaalsContact C-N 3.25Å; G551-R553 PolarHBondContact O-N 3.06Å; R553-L585 HydrophobicContact CB-CD1 4.19Å; R553-L585 HydrophobicContact CB-CD2 3.97Å
554	L	85.5	Confident	84.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-77.5	-39.9	178.6	-73.5	165.6	0	0	0	112.3	L550 G551 L557 I558 T570 L574 L581 L585 L591	L550-L554 HydrophobicContact CB-CD1 4.36Å; L550-L554 VanDerWaalsContact O-CB 3.29Å; L550-L554 WeakPolarHBondContact O-CB 3.05Å; L550-L554 WeakPolarHBondContact O-CD1 3.4Å; L550-L554 VanDerWaalsContact O-CG 3.23Å; L550-L554 WeakPolarHBondContact O-CG 3.49Å; L550-L554 PolarHBondContact O-N 2.92Å; G551-L554 PolarHBondContact O-N 3.34Å; L554-L557 PolarHBondContact O-N 2.83Å; L554-I558 HydrophobicContact CB-CD1 3.9Å; L554-I558 WeakPolarHBondContact O-CD1 3.28Å; L554-I558 VanDerWaalsContact O-CG1 3.24Å; L554-I558 WeakPolarHBondContact O-CG1 3.03Å; L554-I558 PolarHBondContact O-N 2.77Å; L554-T570 HydrophobicContact CB-CG2 4.25Å; L554-L574 HydrophobicContact CD1-CD2 4.35Å; L554-L581 HydrophobicContact CD1-CD2 3.49Å; L554-L581 VanDerWaalsContact CD1-CD2 3.49Å; L554-L585 HydrophobicContact CD2-CD2 3.67Å; L554-L585 HydrophobicContact CD2-CG 3.94Å; L554-L585 HydrophobicContact CG-CD2 3.97Å; L554-L585 HydrophobicContact CG-CG 4.29Å; L554-L591 HydrophobicContact CD2-CD1 3.79Å; L554-L591 HydrophobicContact CD2-CD2 4.5Å
555	F	87.8	Confident	84.7	Confident	78 Å²	78	64.4 Å²	64.4	34%	0.342	34%	0.34	S	S	.	.	H	α-helix	trans	-56.3	-46.9	-173.5	-180	-89.2	0	0	0	113.8	G551 L557 I558 Q559 A566 T570	G551-F555 WeakPolarHBondContact O-CB 3.12Å; G551-F555 PolarHBondContact O-N 3.36Å; F555-L557 PolarHBondContact O-N 2.86Å; F555-I558 PolarHBondContact O-N 2.66Å; F555-Q559 HydrophobicContact CE1-CB 4.47Å; F555-Q559 VanDerWaalsContact CE1-OE1 3.23Å; F555-Q559 VanDerWaalsContact O-CB 3.23Å; F555-Q559 WeakPolarHBondContact O-CB 3.46Å; F555-Q559 PolarHBondContact O-N 2.62Å; F555-A566 HydrophobicContact CD2-CB 4.4Å; F555-A566 HydrophobicContact CE2-CB 4.01Å; F555-A566 HydrophobicContact CZ-CB 4.39Å; F555-T570 HydrophobicContact CB-CG2 4.15Å
556	P	86.9	Confident	84.9	Confident	68 Å²	68	59.5 Å²	59.5	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-38.1	179.8	-22.1	34.8	0	0	0	113	E552 Q559 A560	E552-P556 WeakPolarHBondContact O-CD 3.48Å; P556-Q559 PolarHBondContact O-N 2.87Å; P556-A560 PolarHBondContact O-N 2.76Å
557	L	87	Confident	85.1	Confident	64 Å²	64	60.1 Å²	60.1	34%	0.335	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-44.2	177.4	-60.4	174.7	0	0	0	110.8	L554 F555 Q559 A560 M561 L585 L591	L554-L557 PolarHBondContact O-N 2.83Å; F555-L557 PolarHBondContact O-N 2.86Å; L557-Q559 VanDerWaalsContact C-N 3.35Å; L557-A560 PolarHBondContact O-N 3.49Å; L557-M561 WeakPolarHBondContact O-CG 3.43Å; L557-M561 PolarHBondContact O-N 2.89Å; L557-L585 HydrophobicContact CD1-CD2 3.88Å; L557-L591 HydrophobicContact CB-CD2 3.81Å; L557-L591 HydrophobicContact CD1-CD2 3.91Å
558	I	87.5	Confident	85.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-35.2	177	-61.6	163	0	0	0	110.7	L554 F555 M561 H562 A566 I569 T570 L573 L591 V595	L554-I558 HydrophobicContact CB-CD1 3.9Å; L554-I558 WeakPolarHBondContact O-CD1 3.28Å; L554-I558 VanDerWaalsContact O-CG1 3.24Å; L554-I558 WeakPolarHBondContact O-CG1 3.03Å; L554-I558 PolarHBondContact O-N 2.77Å; F555-I558 PolarHBondContact O-N 2.66Å; I558-M561 PolarHBondContact O-N 3.37Å; I558-M561 VanDerWaalsContact O-N 3.13Å; I558-H562 PolarHBondContact O-N 2.89Å; I558-A566 HydrophobicContact CG2-CB 4.25Å; I558-I569 HydrophobicContact CD1-CG2 4.38Å; I558-I569 HydrophobicContact CG2-CB 3.8Å; I558-I569 HydrophobicContact CG2-CD1 4.22Å; I558-I569 HydrophobicContact CG2-CG2 3.61Å; I558-T570 HydrophobicContact CD1-CG2 4.31Å; I558-T570 WeakPolarHBondContact CD1-OG1 3.44Å; I558-L573 HydrophobicContact CD1-CD1 3.78Å; I558-L591 HydrophobicContact CG1-CD1 4.33Å; I558-V595 HydrophobicContact CG1-CG2 3.9Å; I558-V595 HydrophobicContact CG2-CG2 4.43Å
559	Q	88.9	Confident	85.6	Confident	94 Å²	94	57.9 Å²	57.9	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-66.3	-37.4	177.1	-170.1	-179.3	8.9	0	0	112.3	F555 P556 L557 M561 A563 A566	F555-Q559 HydrophobicContact CE1-CB 4.47Å; F555-Q559 VanDerWaalsContact CE1-OE1 3.23Å; F555-Q559 VanDerWaalsContact O-CB 3.23Å; F555-Q559 WeakPolarHBondContact O-CB 3.46Å; F555-Q559 PolarHBondContact O-N 2.62Å; P556-Q559 PolarHBondContact O-N 2.87Å; L557-Q559 VanDerWaalsContact C-N 3.35Å; Q559-M561 PolarHBondContact O-N 3.25Å; Q559-A563 HydrophobicContact CG-CB 4.38Å; Q559-A563 WeakPolarHBondContact O-CA 3.4Å; Q559-A563 PolarHBondContact O-N 3.08Å; Q559-A563 VanDerWaalsContact O-N 3.12Å; Q559-A566 HydrophobicContact CB-CB 3.89Å; Q559-A566 HydrophobicContact CG-CB 4.27Å
560	A	85.6	Confident	86	Confident	92 Å²	92	55.9 Å²	55.9	76%	0.76	31%	0.312	S	S	*	.	H	α-helix	trans	-63.4	-22.9	172.3	0	0	0	0	0	113.2	P556 L557	P556-A560 PolarHBondContact O-N 2.76Å; L557-A560 PolarHBondContact O-N 3.49Å
561	M	86.5	Confident	86.1	Confident	52 Å²	52	57.6 Å²	57.6	26%	0.256	33%	0.33	S	S	.	.	H	α-helix	trans	-94.3	-44.9	178.1	-63.2	179.5	69	0	0	113.2	L557 I558 Q559 R592 V595	L557-M561 WeakPolarHBondContact O-CG 3.43Å; L557-M561 PolarHBondContact O-N 2.89Å; I558-M561 PolarHBondContact O-N 3.37Å; I558-M561 VanDerWaalsContact O-N 3.13Å; Q559-M561 PolarHBondContact O-N 3.25Å; M561-R592 HydrophobicContact CE-CB 3.74Å; M561-R592 HydrophobicContact CE-CG 3.62Å; M561-V595 HydrophobicContact CE-CB 4.41Å; M561-V595 HydrophobicContact CE-CG1 4.14Å; M561-V595 HydrophobicContact SD-CG1 4.44Å
562	H	85.4	Confident	86.1	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.296	34%	0.341	S	S	.	.	H	α-helix	trans	-144.5	65	-173.8	-65.7	-75.4	0	0	0	112.1	I558 N564 L565 A566 I569 V595	I558-H562 PolarHBondContact O-N 2.89Å; H562-N564 VanDerWaalsContact C-N 3.26Å; H562-N564 PolarHBondContact O-N 2.77Å; H562-L565 PolarHBondContact O-N 3.04Å; H562-A566 PolarHBondContact O-N 3.15Å; H562-I569 HydrophobicContact CB-CD1 3.88Å; H562-V595 VanDerWaalsContact CD2-CG1 3.42Å; H562-V595 WeakPolarHBondContact CD2-CG1 3.37Å
563	A	84.4	Confident	86.1	Confident	61 Å²	61	55.1 Å²	55.1	50%	0.504	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-41.7	-46.9	-177.9	0	0	0	0	0	114.8	Q559 L565	Q559-A563 HydrophobicContact CG-CB 4.38Å; Q559-A563 WeakPolarHBondContact O-CA 3.4Å; Q559-A563 PolarHBondContact O-N 3.08Å; Q559-A563 VanDerWaalsContact O-N 3.12Å; A563-L565 VanDerWaalsContact C-N 3.27Å; A563-L565 PolarHBondContact O-N 3.13Å
564	N	84.4	Confident	86.3	Confident	165 Å²	165	53.6 Å²	53.6	88%	0.882	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-69.4	-16.4	-176.6	-65.2	-8.5	0	0	0	115	H562	H562-N564 VanDerWaalsContact C-N 3.26Å; H562-N564 PolarHBondContact O-N 2.77Å
565	L	86.8	Confident	86.3	Confident	55 Å²	55	61.5 Å²	61.5	29%	0.288	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-121.7	-2.4	-178	-67.1	178.7	0	0	0	113.3	H562 A563 G567 K568 I569	H562-L565 PolarHBondContact O-N 3.04Å; A563-L565 VanDerWaalsContact C-N 3.27Å; A563-L565 PolarHBondContact O-N 3.13Å; L565-G567 PolarHBondContact O-N 3.49Å; L565-G567 VanDerWaalsContact O-N 3.17Å; L565-K568 HydrophobicContact CD2-CD 4.47Å; L565-K568 PolarHBondContact O-N 2.84Å; L565-I569 HydrophobicContact CB-CD1 3.58Å; L565-I569 HydrophobicContact CB-CG1 4.08Å; L565-I569 WeakPolarHBondContact O-CG1 3.38Å; L565-I569 PolarHBondContact O-N 3.23Å
566	A	83.7	Confident	86.2	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-51.1	-46.1	-167.9	0	0	0	0	0	114.3	F555 I558 Q559 H562 K568 I569 T570	F555-A566 HydrophobicContact CD2-CB 4.4Å; F555-A566 HydrophobicContact CE2-CB 4.01Å; F555-A566 HydrophobicContact CZ-CB 4.39Å; I558-A566 HydrophobicContact CG2-CB 4.25Å; Q559-A566 HydrophobicContact CB-CB 3.89Å; Q559-A566 HydrophobicContact CG-CB 4.27Å; H562-A566 PolarHBondContact O-N 3.15Å; A566-K568 PolarHBondContact O-N 2.84Å; A566-I569 PolarHBondContact O-N 2.96Å; A566-T570 WeakPolarHBondContact O-CB 3.34Å; A566-T570 PolarHBondContact O-N 2.81Å; A566-T570 PolarHBondContact O-OG1 3.1Å
567	G	84.8	Confident	86	Confident	46 Å²	46	62 Å²	62	47%	0.474	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-36.4	178.8	0	0	0	0	0	114	L565 G571	L565-G567 PolarHBondContact O-N 3.49Å; L565-G567 VanDerWaalsContact O-N 3.17Å; G567-G571 PolarHBondContact O-N 2.87Å
568	K	85.6	Confident	85.8	Confident	132 Å²	132	60.4 Å²	60.4	57%	0.574	34%	0.344	S	S	*	.	H	α-helix	trans	-73.1	-42.1	177.3	-66.8	176.2	-178.3	168.7	0	111.4	L565 A566 G571 M572 L602	L565-K568 HydrophobicContact CD2-CD 4.47Å; L565-K568 PolarHBondContact O-N 2.84Å; A566-K568 PolarHBondContact O-N 2.84Å; K568-G571 PolarHBondContact O-N 3.4Å; K568-M572 WeakPolarHBondContact O-CG 3.38Å; K568-M572 PolarHBondContact O-N 2.96Å; K568-L602 HydrophobicContact CB-CD1 3.98Å; K568-L602 HydrophobicContact CB-CD2 4.32Å
569	I	87.9	Confident	85.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-46.8	176.6	-63.6	163.2	0	0	0	110	I558 H562 L565 A566 G571 M572 L573 V595 A598 V599 L602	I558-I569 HydrophobicContact CD1-CG2 4.38Å; I558-I569 HydrophobicContact CG2-CB 3.8Å; I558-I569 HydrophobicContact CG2-CD1 4.22Å; I558-I569 HydrophobicContact CG2-CG2 3.61Å; H562-I569 HydrophobicContact CB-CD1 3.88Å; L565-I569 HydrophobicContact CB-CD1 3.58Å; L565-I569 HydrophobicContact CB-CG1 4.08Å; L565-I569 WeakPolarHBondContact O-CG1 3.38Å; L565-I569 PolarHBondContact O-N 3.23Å; A566-I569 PolarHBondContact O-N 2.96Å; I569-G571 PolarHBondContact O-N 2.81Å; I569-M572 PolarHBondContact O-N 2.9Å; I569-L573 HydrophobicContact CG2-CD1 3.87Å; I569-L573 HydrophobicContact CG2-CG 4.28Å; I569-L573 WeakPolarHBondContact O-CG 3.24Å; I569-L573 PolarHBondContact O-N 2.89Å; I569-V595 HydrophobicContact CG2-CB 4.49Å; I569-V595 HydrophobicContact CG2-CG1 4.34Å; I569-V595 HydrophobicContact CG2-CG2 4.09Å; I569-A598 HydrophobicContact CG2-CB 4.05Å; I569-V599 HydrophobicContact CD1-CG2 3.57Å; I569-V599 HydrophobicContact CG1-CG2 4.29Å; I569-L602 HydrophobicContact CG1-CD1 3.78Å
570	T	87.4	Confident	85.1	Confident	8 Å²	8	63.7 Å²	63.7	5%	0.049	37%	0.369	C	S	.	.	H	α-helix	trans	-60.2	-46.5	177.1	-49.9	0	0	0	0	110.8	L554 F555 I558 A566 M572 L573 L574	L554-T570 HydrophobicContact CB-CG2 4.25Å; F555-T570 HydrophobicContact CB-CG2 4.15Å; I558-T570 HydrophobicContact CD1-CG2 4.31Å; I558-T570 WeakPolarHBondContact CD1-OG1 3.44Å; A566-T570 WeakPolarHBondContact O-CB 3.34Å; A566-T570 PolarHBondContact O-N 2.81Å; A566-T570 PolarHBondContact O-OG1 3.1Å; T570-M572 VanDerWaalsContact C-N 3.35Å; T570-M572 PolarHBondContact O-N 3.19Å; T570-L573 PolarHBondContact O-N 2.89Å; T570-L574 HydrophobicContact CG2-CD1 4.23Å; T570-L574 HydrophobicContact CG2-CG 4.39Å; T570-L574 WeakPolarHBondContact O-CB 3.35Å; T570-L574 VanDerWaalsContact O-CG 3.31Å; T570-L574 WeakPolarHBondContact O-CG 3.35Å; T570-L574 PolarHBondContact O-N 2.9Å
571	G	87.1	Confident	85	Confident	36 Å²	36	59.3 Å²	59.3	37%	0.371	33%	0.333	S	S	.	.	H	α-helix	trans	-57.2	-44.2	175.2	0	0	0	0	0	113.1	G567 K568 I569 L574	G567-G571 PolarHBondContact O-N 2.87Å; K568-G571 PolarHBondContact O-N 3.4Å; I569-G571 PolarHBondContact O-N 2.81Å; G571-L574 PolarHBondContact O-N 2.97Å
572	M	84.6	Confident	84.7	Confident	71 Å²	71	58.1 Å²	58.1	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-37.8	176.3	-73.9	176.3	60.1	0	0	113.4	K568 I569 T570 L574 E575 A598 V601 L602	K568-M572 WeakPolarHBondContact O-CG 3.38Å; K568-M572 PolarHBondContact O-N 2.96Å; I569-M572 PolarHBondContact O-N 2.9Å; T570-M572 VanDerWaalsContact C-N 3.35Å; T570-M572 PolarHBondContact O-N 3.19Å; M572-L574 VanDerWaalsContact C-N 3.33Å; M572-E575 PolarHBondContact O-N 2.86Å; M572-A598 HydrophobicContact CE-CB 4.41Å; M572-V601 HydrophobicContact CE-CB 4.05Å; M572-V601 HydrophobicContact CE-CG1 3.77Å; M572-L602 HydrophobicContact SD-CD1 4.14Å; M572-L602 HydrophobicContact SD-CD2 3.63Å; M572-L602 HydrophobicContact SD-CG 3.7Å
573	L	86.1	Confident	84.6	Confident	5 Å²	5	60 Å²	60	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-71.5	-29.4	176.7	-67	177.5	0	0	0	111.5	I558 I569 T570 E575 I576 L581 M584 L591 K594 V595	I558-L573 HydrophobicContact CD1-CD1 3.78Å; I569-L573 HydrophobicContact CG2-CD1 3.87Å; I569-L573 HydrophobicContact CG2-CG 4.28Å; I569-L573 WeakPolarHBondContact O-CG 3.24Å; I569-L573 PolarHBondContact O-N 2.89Å; T570-L573 PolarHBondContact O-N 2.89Å; L573-E575 PolarHBondContact O-N 3.32Å; L573-I576 HydrophobicContact CD2-CD1 3.6Å; L573-I576 VanDerWaalsContact O-CB 3.22Å; L573-I576 WeakPolarHBondContact O-CB 3.49Å; L573-I576 WeakPolarHBondContact O-CG1 3.45Å; L573-I576 PolarHBondContact O-N 3.47Å; L573-L581 HydrophobicContact CB-CD2 4.28Å; L573-L581 WeakPolarHBondContact O-CD2 3.19Å; L573-M584 HydrophobicContact CD2-CE 4.37Å; L573-L591 HydrophobicContact CD1-CD1 4.27Å; L573-K594 HydrophobicContact CD2-CB 4.01Å; L573-V595 HydrophobicContact CD1-CG2 3.89Å
574	L	88.1	Confident	84.4	Confident	33 Å²	33	57.1 Å²	57.1	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-14.9	174.8	-74.4	176.4	0	0	0	114.2	K547 L550 L554 T570 G571 M572 I576 L581	K547-L574 HydrophobicContact CD-CD2 4.47Å; K547-L574 VanDerWaalsContact CD-O 3.31Å; K547-L574 WeakPolarHBondContact CD-O 3.42Å; K547-L574 WeakPolarHBondContact CE-O 3.28Å; K547-L574 PolarHBondContact NZ-O 3.28Å; K547-L574 VanDerWaalsContact O-CD2 3.27Å; K547-L574 WeakPolarHBondContact O-CD2 3.48Å; L550-L574 HydrophobicContact CB-CD2 3.89Å; L554-L574 HydrophobicContact CD1-CD2 4.35Å; T570-L574 HydrophobicContact CG2-CD1 4.23Å; T570-L574 HydrophobicContact CG2-CG 4.39Å; T570-L574 WeakPolarHBondContact O-CB 3.35Å; T570-L574 VanDerWaalsContact O-CG 3.31Å; T570-L574 WeakPolarHBondContact O-CG 3.35Å; T570-L574 PolarHBondContact O-N 2.9Å; G571-L574 PolarHBondContact O-N 2.97Å; M572-L574 VanDerWaalsContact C-N 3.33Å; L574-I576 PolarHBondContact O-N 2.61Å; L574-L581 HydrophobicContact CD2-CD1 4.31Å
575	E	85.6	Confident	84.3	Confident	166 Å²	166	51.7 Å²	51.7	78%	0.776	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.9	169.2	-61.9	-62.2	154.5	0	0	113	M572 L573	M572-E575 PolarHBondContact O-N 2.86Å; L573-E575 PolarHBondContact O-N 3.32Å
576	I	85.1	Confident	84	Confident	35 Å²	35	57 Å²	57	18%	0.179	31%	0.307	C	S	.	.	S	Bend	trans	-78	156.1	178.8	-57	177.6	0	0	0	110.7	K547 L573 L574 E580 L581 K594	K547-I576 PolarHBondContact NZ-O 3.29Å; L573-I576 HydrophobicContact CD2-CD1 3.6Å; L573-I576 VanDerWaalsContact O-CB 3.22Å; L573-I576 WeakPolarHBondContact O-CB 3.49Å; L573-I576 WeakPolarHBondContact O-CG1 3.45Å; L573-I576 PolarHBondContact O-N 3.47Å; L574-I576 PolarHBondContact O-N 2.61Å; I576-E580 HydrophobicContact CG2-CB 3.86Å; I576-E580 HydrophobicContact CG2-CG 3.95Å; I576-L581 HydrophobicContact CB-CD2 4.48Å; I576-L581 HydrophobicContact CB-CG 4.34Å; I576-L581 VanDerWaalsContact O-CD1 3.24Å; I576-L581 WeakPolarHBondContact O-CD1 3.38Å; I576-K594 HydrophobicContact CD1-CD 4.25Å
577	D	84.1	Confident	84	Confident	121 Å²	121	58.8 Å²	58.8	65%	0.647	32%	0.319	S	S	*	.			trans	-55.7	137.8	176.3	-85	-50.8	0	0	0	113.2	S579 E580 L581	D577-S579 PolarHBondContact O-N 2.87Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-E580 PolarHBondContact O-N 3.4Å; D577-L581 PolarHBondContact O-N 3.32Å
578	N	81.7	Confident	83.7	Confident	32 Å²	32	62.4 Å²	62.4	17%	0.171	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-25.7	-174.3	-70.7	1.7	0	0	0	113.4	L538 Q546 K547 L550 L582	L538-N578 HydrophobicContact CD2-CB 3.96Å; Q546-N578 PolarHBondContact OE1-ND2 3.12Å; K547-N578 WeakPolarHBondContact CD-OD1 3.43Å; K547-N578 VanDerWaalsContact CE-OD1 3.23Å; K547-N578 WeakPolarHBondContact CE-OD1 3.4Å; K547-N578 PolarHBondContact NZ-OD1 3.21Å; L550-N578 HydrophobicContact CD1-CB 4.08Å; N578-L582 WeakPolarHBondContact O-CG 3.33Å; N578-L582 PolarHBondContact O-N 3.28Å; N578-L582 VanDerWaalsContact O-N 3.08Å
579	S	79.6	Confident	83.6	Confident	89 Å²	89	63.9 Å²	63.9	62%	0.622	33%	0.332	S	S	*	.	H	α-helix	trans	-72.4	-34.5	174	44.7	0	0	0	0	113.4	D577 H583	D577-S579 PolarHBondContact O-N 2.87Å; D577-S579 VanDerWaalsContact O-N 3.12Å; S579-H583 PolarHBondContact O-N 3.46Å
580	E	82.4	Confident	83.6	Confident	74 Å²	74	65.4 Å²	65.4	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-75.8	-37	174.3	-175.8	174	170.8	0	0	110.4	I576 D577 L582 H583 M584 K594	I576-E580 HydrophobicContact CG2-CB 3.86Å; I576-E580 HydrophobicContact CG2-CG 3.95Å; D577-E580 PolarHBondContact O-N 3.4Å; E580-L582 PolarHBondContact O-N 3.09Å; E580-H583 PolarHBondContact O-N 2.63Å; E580-M584 WeakPolarHBondContact O-CG 3.18Å; E580-M584 PolarHBondContact O-N 2.98Å; E580-K594 VanDerWaalsContact OE1-CE 3.23Å; E580-K594 WeakPolarHBondContact OE1-CE 3.11Å; E580-K594 IonicContact OE1-NZ 3.35Å
581	L	82.9	Confident	83.6	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-40.5	172.7	-71.2	166.5	0	0	0	112.8	L550 L554 L573 L574 I576 D577 M584 L585	L550-L581 HydrophobicContact CD1-CB 3.93Å; L550-L581 HydrophobicContact CD1-CD1 3.89Å; L550-L581 HydrophobicContact CD2-CB 4.32Å; L554-L581 HydrophobicContact CD1-CD2 3.49Å; L554-L581 VanDerWaalsContact CD1-CD2 3.49Å; L573-L581 HydrophobicContact CB-CD2 4.28Å; L573-L581 WeakPolarHBondContact O-CD2 3.19Å; L574-L581 HydrophobicContact CD2-CD1 4.31Å; I576-L581 HydrophobicContact CB-CD2 4.48Å; I576-L581 HydrophobicContact CB-CG 4.34Å; I576-L581 VanDerWaalsContact O-CD1 3.24Å; I576-L581 WeakPolarHBondContact O-CD1 3.38Å; D577-L581 PolarHBondContact O-N 3.32Å; L581-M584 HydrophobicContact CD2-CE 3.35Å; L581-M584 HydrophobicContact CG-CE 4.27Å; L581-M584 PolarHBondContact O-N 3.12Å; L581-L585 PolarHBondContact O-N 3.26Å; L581-L585 VanDerWaalsContact O-N 3.15Å
582	L	81.7	Confident	83.6	Confident	27 Å²	27	70 Å²	70	14%	0.141	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-43.6	172.5	-74.5	169.2	0	0	0	112	A535 L538 L550 N578 E580 M584 L585 E586	A535-L582 HydrophobicContact CB-CD1 3.93Å; L538-L582 HydrophobicContact CD2-CD1 3.96Å; L538-L582 HydrophobicContact CD2-CG 4.32Å; L550-L582 HydrophobicContact CD2-CD2 3.97Å; L550-L582 HydrophobicContact CD2-CG 4.26Å; N578-L582 WeakPolarHBondContact O-CG 3.33Å; N578-L582 PolarHBondContact O-N 3.28Å; N578-L582 VanDerWaalsContact O-N 3.08Å; E580-L582 PolarHBondContact O-N 3.09Å; L582-M584 VanDerWaalsContact C-N 3.28Å; L582-M584 PolarHBondContact O-N 3.48Å; L582-L585 WeakPolarHBondContact O-CB 3.36Å; L582-L585 PolarHBondContact O-N 2.91Å; L582-L585 VanDerWaalsContact O-N 3.07Å; L582-E586 PolarHBondContact O-N 3.35Å; L582-E586 VanDerWaalsContact O-N 3.08Å
583	H	81.7	Confident	83.9	Confident	103 Å²	103	70.4 Å²	70.4	48%	0.477	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-32.3	176	-177.1	-91.9	0	0	0	112.8	S579 E580 E586 S587	S579-H583 PolarHBondContact O-N 3.46Å; E580-H583 PolarHBondContact O-N 2.63Å; H583-E586 PolarHBondContact O-N 3.04Å; H583-S587 WeakPolarHBondContact O-CB 3.48Å; H583-S587 PolarHBondContact O-N 3.08Å
584	M	81.9	Confident	84	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-33.9	171.6	-71.9	-164.2	-62.4	0	0	113.2	L573 E580 L581 L582 E586 S587 L591 K594	L573-M584 HydrophobicContact CD2-CE 4.37Å; E580-M584 WeakPolarHBondContact O-CG 3.18Å; E580-M584 PolarHBondContact O-N 2.98Å; L581-M584 HydrophobicContact CD2-CE 3.35Å; L581-M584 HydrophobicContact CG-CE 4.27Å; L581-M584 PolarHBondContact O-N 3.12Å; L582-M584 VanDerWaalsContact C-N 3.28Å; L582-M584 PolarHBondContact O-N 3.48Å; M584-E586 VanDerWaalsContact C-N 3.3Å; M584-S587 CarbonylContact O-C 3.58Å; M584-S587 PolarHBondContact O-N 2.92Å; M584-S587 VanDerWaalsContact O-O 3.11Å; M584-L591 HydrophobicContact CB-CB 4.1Å; M584-L591 HydrophobicContact CB-CD1 4.21Å; M584-L591 HydrophobicContact SD-CD1 4.15Å; M584-K594 HydrophobicContact SD-CB 3.45Å; M584-K594 WeakPolarHBondContact SD-CB 3.42Å; M584-K594 HydrophobicContact SD-CG 3.61Å
585	L	80.8	Confident	84	Confident	51 Å²	51	71 Å²	71	27%	0.267	36%	0.358	S	S	.	.	H	α-helix	trans	-69.4	-28.6	173.2	-72.3	170	0	0	0	112.3	L550 R553 L554 L557 L581 L582	L550-L585 HydrophobicContact CD2-CD1 3.72Å; R553-L585 HydrophobicContact CB-CD1 4.19Å; R553-L585 HydrophobicContact CB-CD2 3.97Å; L554-L585 HydrophobicContact CD2-CD2 3.67Å; L554-L585 HydrophobicContact CD2-CG 3.94Å; L554-L585 HydrophobicContact CG-CD2 3.97Å; L554-L585 HydrophobicContact CG-CG 4.29Å; L557-L585 HydrophobicContact CD1-CD2 3.88Å; L581-L585 PolarHBondContact O-N 3.26Å; L581-L585 VanDerWaalsContact O-N 3.15Å; L582-L585 WeakPolarHBondContact O-CB 3.36Å; L582-L585 PolarHBondContact O-N 2.91Å; L582-L585 VanDerWaalsContact O-N 3.07Å
586	E	80.9	Confident	84.2	Confident	167 Å²	167	67.3 Å²	67.3	78%	0.78	34%	0.341	S	S	*	.	H	α-helix	trans	-82.5	-27.8	173.6	-67.3	179.7	174.4	0	0	113.2	L582 H583 M584	L582-E586 PolarHBondContact O-N 3.35Å; L582-E586 VanDerWaalsContact O-N 3.08Å; H583-E586 PolarHBondContact O-N 3.04Å; M584-E586 VanDerWaalsContact C-N 3.3Å
587	S	84.4	Confident	84.5	Confident	38 Å²	38	70.6 Å²	70.6	27%	0.266	36%	0.356	S	S	.	.			trans	-122.7	101.7	-177.1	-179.8	0	0	0	0	113	H583 M584 E589 S590 L591	H583-S587 WeakPolarHBondContact O-CB 3.48Å; H583-S587 PolarHBondContact O-N 3.08Å; M584-S587 CarbonylContact O-C 3.58Å; M584-S587 PolarHBondContact O-N 2.92Å; M584-S587 VanDerWaalsContact O-O 3.11Å; S587-E589 PolarHBondContact O-N 3.44Å; S587-S590 WeakPolarHBondContact O-CA 3.34Å; S587-S590 WeakPolarHBondContact O-CB 3.26Å; S587-S590 PolarHBondContact O-N 3.07Å; S587-S590 PolarHBondContact OG-N 3.01Å; S587-L591 PolarHBondContact O-N 2.94Å
588	H	79.1	Confident	84.7	Confident	122 Å²	122	65.2 Å²	65.2	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-61.7	-24.5	178.7	-157.4	-46.5	0	0	0	113.5	R592	H588-R592 VanDerWaalsContact O-CB 3.28Å; H588-R592 WeakPolarHBondContact O-CB 3.42Å; H588-R592 PolarHBondContact O-N 2.9Å; H588-R592 VanDerWaalsContact O-N 3.13Å
589	E	83	Confident	85.1	Confident	162 Å²	162	64.3 Å²	64.3	76%	0.757	32%	0.323	S	S	*	.	H	α-helix	trans	-74.9	-41.7	172	-172.5	179.9	-177.5	0	0	111.4	S587 R592 S593	S587-E589 PolarHBondContact O-N 3.44Å; E589-R592 PolarHBondContact O-N 3.08Å; E589-S593 PolarHBondContact O-N 2.82Å
590	S	87.4	Confident	85.6	Confident	32 Å²	32	62.6 Å²	62.6	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-44.5	175.2	-166.2	0	0	0	0	111.5	S587 K594	S587-S590 WeakPolarHBondContact O-CA 3.34Å; S587-S590 WeakPolarHBondContact O-CB 3.26Å; S587-S590 PolarHBondContact O-N 3.07Å; S587-S590 PolarHBondContact OG-N 3.01Å; S590-K594 PolarHBondContact O-N 2.82Å
591	L	87.9	Confident	85.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-47.4	174.3	-179.8	59.1	0	0	0	111.2	L554 L557 I558 L573 M584 S587 S593 K594 V595	L554-L591 HydrophobicContact CD2-CD1 3.79Å; L554-L591 HydrophobicContact CD2-CD2 4.5Å; L557-L591 HydrophobicContact CB-CD2 3.81Å; L557-L591 HydrophobicContact CD1-CD2 3.91Å; I558-L591 HydrophobicContact CG1-CD1 4.33Å; L573-L591 HydrophobicContact CD1-CD1 4.27Å; M584-L591 HydrophobicContact CB-CB 4.1Å; M584-L591 HydrophobicContact CB-CD1 4.21Å; M584-L591 HydrophobicContact SD-CD1 4.15Å; S587-L591 PolarHBondContact O-N 2.94Å; L591-S593 PolarHBondContact O-N 2.91Å; L591-K594 PolarHBondContact O-N 2.82Å; L591-V595 HydrophobicContact CD1-CG2 3.95Å; L591-V595 HydrophobicContact CG-CG2 4.22Å; L591-V595 WeakPolarHBondContact O-CB 3.21Å; L591-V595 VanDerWaalsContact O-CG2 3.26Å; L591-V595 WeakPolarHBondContact O-CG2 3.28Å; L591-V595 PolarHBondContact O-N 2.63Å
592	R	87.4	Confident	86.1	Confident	141 Å²	141	64.4 Å²	64.4	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-49.1	179.8	173.4	164.4	-173.1	159	8.6	112.5	M561 H588 E589 K594 V595 E596	M561-R592 HydrophobicContact CE-CB 3.74Å; M561-R592 HydrophobicContact CE-CG 3.62Å; H588-R592 VanDerWaalsContact O-CB 3.28Å; H588-R592 WeakPolarHBondContact O-CB 3.42Å; H588-R592 PolarHBondContact O-N 2.9Å; H588-R592 VanDerWaalsContact O-N 3.13Å; E589-R592 PolarHBondContact O-N 3.08Å; R592-K594 VanDerWaalsContact C-N 3.31Å; R592-K594 PolarHBondContact O-N 3.42Å; R592-V595 PolarHBondContact O-N 2.86Å; R592-E596 WeakPolarHBondContact CG-OE1 3.43Å; R592-E596 IonicContact CZ-OE1 2.7Å; R592-E596 IonicContact NE-OE1 2.62Å; R592-E596 PolarHBondContact NE-OE1 2.82Å; R592-E596 IonicContact NH2-OE1 3.52Å; R592-E596 PolarHBondContact NH2-OE1 2.94Å; R592-E596 WeakPolarHBondContact O-CG 3.43Å; R592-E596 PolarHBondContact O-N 3.08Å
593	S	90.4	Very high	86.3	Confident	78 Å²	78	69 Å²	69	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-43.8	178.7	-175.1	0	0	0	0	112.1	E589 L591 E596 E597	E589-S593 PolarHBondContact O-N 2.82Å; L591-S593 PolarHBondContact O-N 2.91Å; S593-E596 PolarHBondContact O-N 3.25Å; S593-E597 PolarHBondContact O-N 3.45Å
594	K	87.1	Confident	86.5	Confident	51 Å²	51	67.2 Å²	67.2	22%	0.222	35%	0.354	C	S	.	.	H	α-helix	trans	-72.5	-32.9	178.3	-79.8	-77.4	169.1	-165.8	0	114	L573 I576 E580 M584 S590 L591 R592 E597 A598	L573-K594 HydrophobicContact CD2-CB 4.01Å; I576-K594 HydrophobicContact CD1-CD 4.25Å; E580-K594 VanDerWaalsContact OE1-CE 3.23Å; E580-K594 WeakPolarHBondContact OE1-CE 3.11Å; E580-K594 IonicContact OE1-NZ 3.35Å; M584-K594 HydrophobicContact SD-CB 3.45Å; M584-K594 WeakPolarHBondContact SD-CB 3.42Å; M584-K594 HydrophobicContact SD-CG 3.61Å; S590-K594 PolarHBondContact O-N 2.82Å; L591-K594 PolarHBondContact O-N 2.82Å; R592-K594 VanDerWaalsContact C-N 3.31Å; R592-K594 PolarHBondContact O-N 3.42Å; K594-E597 WeakPolarHBondContact CD-OE2 3.36Å; K594-E597 WeakPolarHBondContact CE-OE2 3.24Å; K594-E597 IonicContact NZ-OE1 3.26Å; K594-E597 IonicContact NZ-OE2 2.62Å; K594-E597 PolarHBondContact NZ-OE2 3.35Å; K594-A598 WeakPolarHBondContact O-CB 3.29Å; K594-A598 PolarHBondContact O-N 2.76Å
595	V	89.6	Confident	86.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-43.8	172.1	165.5	0	0	0	0	110.8	I558 M561 H562 I569 L573 L591 R592 A598 V599	I558-V595 HydrophobicContact CG1-CG2 3.9Å; I558-V595 HydrophobicContact CG2-CG2 4.43Å; M561-V595 HydrophobicContact CE-CB 4.41Å; M561-V595 HydrophobicContact CE-CG1 4.14Å; M561-V595 HydrophobicContact SD-CG1 4.44Å; H562-V595 VanDerWaalsContact CD2-CG1 3.42Å; H562-V595 WeakPolarHBondContact CD2-CG1 3.37Å; I569-V595 HydrophobicContact CG2-CB 4.49Å; I569-V595 HydrophobicContact CG2-CG1 4.34Å; I569-V595 HydrophobicContact CG2-CG2 4.09Å; L573-V595 HydrophobicContact CD1-CG2 3.89Å; L591-V595 HydrophobicContact CD1-CG2 3.95Å; L591-V595 HydrophobicContact CG-CG2 4.22Å; L591-V595 WeakPolarHBondContact O-CB 3.21Å; L591-V595 VanDerWaalsContact O-CG2 3.26Å; L591-V595 WeakPolarHBondContact O-CG2 3.28Å; L591-V595 PolarHBondContact O-N 2.63Å; R592-V595 PolarHBondContact O-N 2.86Å; V595-A598 PolarHBondContact O-N 3.45Å; V595-V599 WeakPolarHBondContact O-CG2 3.2Å; V595-V599 PolarHBondContact O-N 3.34Å
596	E	89.1	Confident	86.7	Confident	89 Å²	89	74.3 Å²	74.3	42%	0.416	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-38.1	176.3	-70.5	176	-173.1	0	0	111.6	R592 S593 V599 A600	R592-E596 WeakPolarHBondContact CG-OE1 3.43Å; R592-E596 IonicContact CZ-OE1 2.7Å; R592-E596 IonicContact NE-OE1 2.62Å; R592-E596 PolarHBondContact NE-OE1 2.82Å; R592-E596 IonicContact NH2-OE1 3.52Å; R592-E596 PolarHBondContact NH2-OE1 2.94Å; R592-E596 WeakPolarHBondContact O-CG 3.43Å; R592-E596 PolarHBondContact O-N 3.08Å; S593-E596 PolarHBondContact O-N 3.25Å; E596-V599 PolarHBondContact O-N 2.97Å; E596-A600 PolarHBondContact O-N 3.22Å; E596-A600 VanDerWaalsContact O-N 3.1Å
597	E	90.9	Very high	86.7	Confident	104 Å²	104	69.1 Å²	69.1	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-47.7	170.7	-173.9	178.8	-168.5	0	0	112.1	S593 K594 V599 A600 V601	S593-E597 PolarHBondContact O-N 3.45Å; K594-E597 WeakPolarHBondContact CD-OE2 3.36Å; K594-E597 WeakPolarHBondContact CE-OE2 3.24Å; K594-E597 IonicContact NZ-OE1 3.26Å; K594-E597 IonicContact NZ-OE2 2.62Å; K594-E597 PolarHBondContact NZ-OE2 3.35Å; E597-V599 PolarHBondContact O-N 2.78Å; E597-A600 PolarHBondContact O-N 2.69Å; E597-V601 PolarHBondContact O-N 3.46Å; E597-V601 VanDerWaalsContact O-N 3.17Å
598	A	89.6	Confident	86.6	Confident	7 Å²	7	74.5 Å²	74.5	6%	0.058	39%	0.389	C	S	.	.	H	α-helix	trans	-64.6	-37.6	178.5	0	0	0	0	0	112.8	I569 M572 K594 V595 V601 L602	I569-A598 HydrophobicContact CG2-CB 4.05Å; M572-A598 HydrophobicContact CE-CB 4.41Å; K594-A598 WeakPolarHBondContact O-CB 3.29Å; K594-A598 PolarHBondContact O-N 2.76Å; V595-A598 PolarHBondContact O-N 3.45Å; A598-V601 PolarHBondContact O-N 3.35Å; A598-L602 WeakPolarHBondContact O-CG 3.48Å; A598-L602 PolarHBondContact O-N 2.9Å
599	V	89.8	Confident	86.6	Confident	13 Å²	13	74 Å²	74	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-44.3	174	167.6	0	0	0	0	111.1	I569 V595 E596 E597 V601 L602 Q603	I569-V599 HydrophobicContact CD1-CG2 3.57Å; I569-V599 HydrophobicContact CG1-CG2 4.29Å; V595-V599 WeakPolarHBondContact O-CG2 3.2Å; V595-V599 PolarHBondContact O-N 3.34Å; E596-V599 PolarHBondContact O-N 2.97Å; E597-V599 PolarHBondContact O-N 2.78Å; V599-V601 VanDerWaalsContact C-N 3.34Å; V599-V601 PolarHBondContact O-N 2.64Å; V599-L602 PolarHBondContact O-N 2.87Å; V599-Q603 HydrophobicContact CG1-CG 4.39Å; V599-Q603 WeakPolarHBondContact O-CG 3.47Å; V599-Q603 PolarHBondContact O-N 2.91Å
600	A	89.2	Confident	86.3	Confident	54 Å²	54	69.4 Å²	69.4	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-40.6	178	0	0	0	0	0	112.3	E596 E597 Q603 A604	E596-A600 PolarHBondContact O-N 3.22Å; E596-A600 VanDerWaalsContact O-N 3.1Å; E597-A600 PolarHBondContact O-N 2.69Å; A600-Q603 PolarHBondContact O-N 3.39Å; A600-A604 WeakPolarHBondContact O-CB 3.41Å; A600-A604 PolarHBondContact O-N 3.09Å
601	V	89.4	Confident	85.6	Confident	80 Å²	80	70.6 Å²	70.6	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.3	174.8	0	0	0	0	111.6	M572 E597 A598 V599 A604 H605	M572-V601 HydrophobicContact CE-CB 4.05Å; M572-V601 HydrophobicContact CE-CG1 3.77Å; E597-V601 PolarHBondContact O-N 3.46Å; E597-V601 VanDerWaalsContact O-N 3.17Å; A598-V601 PolarHBondContact O-N 3.35Å; V599-V601 VanDerWaalsContact C-N 3.34Å; V599-V601 PolarHBondContact O-N 2.64Å; V601-A604 PolarHBondContact O-N 3.39Å; V601-H605 WeakPolarHBondContact O-CB 3.48Å; V601-H605 PolarHBondContact O-N 2.83Å
602	L	86.6	Confident	84.8	Confident	32 Å²	32	75 Å²	75	17%	0.168	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-41.4	176.5	-75.1	171.1	0	0	0	112.3	K568 I569 M572 A598 V599 H605 Q606	K568-L602 HydrophobicContact CB-CD1 3.98Å; K568-L602 HydrophobicContact CB-CD2 4.32Å; I569-L602 HydrophobicContact CG1-CD1 3.78Å; M572-L602 HydrophobicContact SD-CD1 4.14Å; M572-L602 HydrophobicContact SD-CD2 3.63Å; M572-L602 HydrophobicContact SD-CG 3.7Å; A598-L602 WeakPolarHBondContact O-CG 3.48Å; A598-L602 PolarHBondContact O-N 2.9Å; V599-L602 PolarHBondContact O-N 2.87Å; L602-H605 PolarHBondContact O-N 3.31Å; L602-Q606 PolarHBondContact O-N 2.73Å
603	Q	86.7	Confident	83.7	Confident	123 Å²	123	75.3 Å²	75.3	58%	0.575	41%	0.413	S	S	*	.	H	α-helix	trans	-63.7	-46.3	175.6	-72.8	176.3	1.1	0	0	111.9	V599 A600 H605 Q606 A607	V599-Q603 HydrophobicContact CG1-CG 4.39Å; V599-Q603 WeakPolarHBondContact O-CG 3.47Å; V599-Q603 PolarHBondContact O-N 2.91Å; A600-Q603 PolarHBondContact O-N 3.39Å; Q603-H605 VanDerWaalsContact C-N 3.3Å; Q603-H605 PolarHBondContact O-N 2.82Å; Q603-Q606 PolarHBondContact O-N 2.8Å; Q603-A607 PolarHBondContact O-N 3.42Å
604	A	85.4	Confident	82.2	Confident	66 Å²	66	79.3 Å²	79.3	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-38.2	177.1	0	0	0	0	0	112.3	A600 V601 K608	A600-A604 WeakPolarHBondContact O-CB 3.41Å; A600-A604 PolarHBondContact O-N 3.09Å; V601-A604 PolarHBondContact O-N 3.39Å; A604-K608 WeakPolarHBondContact O-CB 3.43Å; A604-K608 PolarHBondContact O-N 3.13Å; A604-K608 VanDerWaalsContact O-N 3.14Å
605	H	84.4	Confident	80.9	Confident	108 Å²	108	81.9 Å²	81.9	50%	0.5	44%	0.44	S	S	.	.	H	α-helix	trans	-70.3	-37.2	175.9	-175.2	-120.8	0	0	0	112.7	V601 L602 Q603 K608 K609	V601-H605 WeakPolarHBondContact O-CB 3.48Å; V601-H605 PolarHBondContact O-N 2.83Å; L602-H605 PolarHBondContact O-N 3.31Å; Q603-H605 VanDerWaalsContact C-N 3.3Å; Q603-H605 PolarHBondContact O-N 2.82Å; H605-K608 PolarHBondContact O-N 3.33Å; H605-K609 PolarHBondContact O-N 3.29Å; H605-K609 VanDerWaalsContact O-N 3.08Å
606	Q	82.3	Confident	79.1	Confident	92 Å²	92	83.7 Å²	83.7	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-65.8	-49.9	174.6	-171.9	60.7	45.8	0	0	111.2	L602 Q603 K608 K609 D610	L602-Q606 PolarHBondContact O-N 2.73Å; Q603-Q606 PolarHBondContact O-N 2.8Å; Q606-K608 PolarHBondContact O-N 2.89Å; Q606-K608 VanDerWaalsContact O-N 3.16Å; Q606-K609 WeakPolarHBondContact O-CA 3.42Å; Q606-K609 WeakPolarHBondContact O-CB 3.33Å; Q606-K609 PolarHBondContact O-N 2.94Å; Q606-D610 PolarHBondContact NE2-OD1 2.87Å; Q606-D610 PolarHBondContact O-N 2.76Å
607	A	82	Confident	77.1	Confident	58 Å²	58	81.3 Å²	81.3	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-56.1	-35.6	176.7	0	0	0	0	0	112.5	Q603 A611	Q603-A607 PolarHBondContact O-N 3.42Å; A607-A611 WeakPolarHBondContact O-CB 3.48Å; A607-A611 PolarHBondContact O-N 2.92Å
608	K	80.6	Confident	75.2	Confident	151 Å²	151	83.4 Å²	83.4	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-68.3	-37.7	173.7	-168.5	175.7	-177.9	-178.6	0	112.9	A604 H605 Q606 T612	A604-K608 WeakPolarHBondContact O-CB 3.43Å; A604-K608 PolarHBondContact O-N 3.13Å; A604-K608 VanDerWaalsContact O-N 3.14Å; H605-K608 PolarHBondContact O-N 3.33Å; Q606-K608 PolarHBondContact O-N 2.89Å; Q606-K608 VanDerWaalsContact O-N 3.16Å; K608-T612 WeakPolarHBondContact O-CB 3.5Å; K608-T612 PolarHBondContact O-N 3.22Å; K608-T612 VanDerWaalsContact O-N 3.08Å; K608-T612 PolarHBondContact O-OG1 2.89Å
609	K	79.2	Confident	73.3	Confident	111 Å²	111	87.6 Å²	87.6	48%	0.483	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-46.3	172.1	-78.8	-171	168.6	-170.2	0	111.6	H605 Q606 A611 T612 Q613	H605-K609 PolarHBondContact O-N 3.29Å; H605-K609 VanDerWaalsContact O-N 3.08Å; Q606-K609 WeakPolarHBondContact O-CA 3.42Å; Q606-K609 WeakPolarHBondContact O-CB 3.33Å; Q606-K609 PolarHBondContact O-N 2.94Å; K609-A611 VanDerWaalsContact C-N 3.32Å; K609-A611 PolarHBondContact O-N 2.93Å; K609-T612 WeakPolarHBondContact O-CB 3.5Å; K609-T612 PolarHBondContact O-N 3.16Å; K609-Q613 PolarHBondContact O-N 3.11Å
610	D	76.4	Confident	71.3	Confident	67 Å²	67	91.7 Å²	91.7	36%	0.358	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-40.4	-178.9	-55	-24.1	0	0	0	111.2	Q606 Q613 K614	Q606-D610 PolarHBondContact NE2-OD1 2.87Å; Q606-D610 PolarHBondContact O-N 2.76Å; D610-Q613 PolarHBondContact O-N 3.43Å; D610-K614 WeakPolarHBondContact O-CG 3.4Å; D610-K614 PolarHBondContact O-N 3.36Å
611	A	73.4	Confident	69.2	Low	56 Å²	56	93.9 Å²	93.9	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-41.2	171.9	0	0	0	0	0	112.4	A607 K609 K614 V615	A607-A611 WeakPolarHBondContact O-CB 3.48Å; A607-A611 PolarHBondContact O-N 2.92Å; K609-A611 VanDerWaalsContact C-N 3.32Å; K609-A611 PolarHBondContact O-N 2.93Å; A611-K614 PolarHBondContact O-N 3.21Å; A611-V615 WeakPolarHBondContact O-CG2 3.21Å; A611-V615 PolarHBondContact O-N 3.17Å
612	T	71.4	Confident	67.2	Low	95 Å²	95	93.2 Å²	93.2	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-67.1	-39.3	178.7	-52.6	0	0	0	0	111.5	K608 K609 V615 G616	K608-T612 WeakPolarHBondContact O-CB 3.5Å; K608-T612 PolarHBondContact O-N 3.22Å; K608-T612 VanDerWaalsContact O-N 3.08Å; K608-T612 PolarHBondContact O-OG1 2.89Å; K609-T612 WeakPolarHBondContact O-CB 3.5Å; K609-T612 PolarHBondContact O-N 3.16Å; T612-V615 PolarHBondContact O-N 3.38Å; T612-G616 PolarHBondContact O-N 3.08Å
613	Q	63.8	Low	65.4	Low	147 Å²	147	95.8 Å²	95.8	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-67.7	-38.1	174.7	-78.7	-173.4	-41.8	0	0	112.6	K609 D610 V615 G616 G617	K609-Q613 PolarHBondContact O-N 3.11Å; D610-Q613 PolarHBondContact O-N 3.43Å; Q613-V615 VanDerWaalsContact C-N 3.34Å; Q613-V615 PolarHBondContact O-N 3.36Å; Q613-G616 PolarHBondContact O-N 2.91Å; Q613-G617 PolarHBondContact O-N 3.14Å
614	K	60.5	Low	63.5	Low	162 Å²	162	94 Å²	94	70%	0.704	56%	0.562	S	S	*	*	H	α-helix	trans	-61.7	-39.5	175.5	-77.5	-176.4	177.1	-175.3	0	112.8	D610 A611 G617 M618	D610-K614 WeakPolarHBondContact O-CG 3.4Å; D610-K614 PolarHBondContact O-N 3.36Å; A611-K614 PolarHBondContact O-N 3.21Å; K614-G617 PolarHBondContact O-N 3.32Å; K614-M618 PolarHBondContact O-N 2.85Å
615	V	58.3	Low	61.7	Low	104 Å²	104	96.4 Å²	96.4	63%	0.63	57%	0.571	S	S	*	*	H	α-helix	trans	-64.8	-42.4	174.4	175.1	0	0	0	0	111.2	A611 T612 Q613 G617 M618	A611-V615 WeakPolarHBondContact O-CG2 3.21Å; A611-V615 PolarHBondContact O-N 3.17Å; T612-V615 PolarHBondContact O-N 3.38Å; Q613-V615 VanDerWaalsContact C-N 3.34Å; Q613-V615 PolarHBondContact O-N 3.36Å; V615-G617 VanDerWaalsContact C-N 3.27Å; V615-G617 PolarHBondContact O-N 2.97Å; V615-M618 PolarHBondContact O-N 3.02Å
616	G	52.3	Low	59.6	Low	39 Å²	39	100.2 Å²	100.2	40%	0.402	61%	0.61	S	S	.	*	H	α-helix	trans	-68.3	-19.7	176.6	0	0	0	0	0	115.3	T612 Q613 T619	T612-G616 PolarHBondContact O-N 3.08Å; Q613-G616 PolarHBondContact O-N 2.91Å; G616-T619 PolarHBondContact O-OG1 3.23Å
617	G	48.1	Very low	58.4	Low	39 Å²	39	100.7 Å²	100.7	40%	0.402	62%	0.619	S	S	.	*	H	α-helix	trans	-84.6	-17.1	175.9	0	0	0	0	0	114.8	Q613 K614 V615 T620 T621	Q613-G617 PolarHBondContact O-N 3.14Å; K614-G617 PolarHBondContact O-N 3.32Å; V615-G617 VanDerWaalsContact C-N 3.27Å; V615-G617 PolarHBondContact O-N 2.97Å; G617-T620 PolarHBondContact O-OG1 3.05Å; G617-T621 PolarHBondContact O-OG1 3.25Å
618	M	49.6	Very low	57.2	Low	147 Å²	147	102.9 Å²	102.9	72%	0.724	63%	0.626	S	S	*	*	H	α-helix	trans	-89.2	-19.1	177	-69.4	179.7	69.7	0	0	112.9	K614 V615 T621	K614-M618 PolarHBondContact O-N 2.85Å; V615-M618 PolarHBondContact O-N 3.02Å; M618-T621 PolarHBondContact O-OG1 2.83Å
619	T	50.2	Low	55.9	Low	95 Å²	95	100.2 Å²	100.2	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-81.5	-25.8	175.7	46.3	0	0	0	0	113.3	G616	G616-T619 PolarHBondContact O-OG1 3.23Å
620	T	47.8	Very low	54.5	Low	100 Å²	100	99.6 Å²	99.6	61%	0.613	63%	0.633	S	S	*	*	H	α-helix	trans	-80.6	-27.2	177.7	48.1	0	0	0	0	113.5	G617	G617-T620 PolarHBondContact O-OG1 3.05Å
621	T	45.5	Very low	53.1	Low	99 Å²	99	101.6 Å²	101.6	61%	0.607	65%	0.65	S	S	*	*	H	α-helix	trans	-79	-23.2	174.4	42	0	0	0	0	113.5	G617 M618 A623	G617-T621 PolarHBondContact O-OG1 3.25Å; M618-T621 PolarHBondContact O-OG1 2.83Å; T621-A623 VanDerWaalsContact C-N 3.31Å
622	A	47.8	Very low	51.8	Low	66 Å²	66	104.7 Å²	104.7	55%	0.545	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-74	-19.4	174.3	0	0	0	0	0	113.8
623	A	47.6	Very low	50.4	Low	86 Å²	86	105.4 Å²	105.4	71%	0.711	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-89.8	8	-175.2	0	0	0	0	0	114.5	T621	T621-A623 VanDerWaalsContact C-N 3.31Å
624	A	46.8	Very low	49.4	Very low	85 Å²	85	102.2 Å²	102.2	70%	0.702	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-112.6	7.8	-176.5	0	0	0	0	0	113.8
625	T	48.8	Very low	48.4	Very low	118 Å²	118	97.2 Å²	97.2	72%	0.724	66%	0.663	S	S	*	*			trans	-141.9	55.7	-175.8	20.7	0	0	0	0	111.7
626	S	38.6	Very low	47.5	Very low	188 Å²	188	96.5 Å²	96.5	100%	1.315	67%	0.666	S	S	*	*			trans	-152.9	0	172.1	-67	0	0	0	0	110.6

Retrieved 626 of 626 residues in 493.5 ms (Link to these results)

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