A0A077ZP45_TRITR Loading...

N-acetylmuramoyl-L-alanine amidase

AlphaFold DB , UniProt , Accession A0A077ZP45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	87.8	Confident	85.1	Confident	64 Å²	64	82.7 Å²	82.7	32%	0.315	49%	0.487	S	S	.	.				0	115.9	0	-172.6	56.5	68.2	0	0	106.8	F3 A69 R70 A74 D75 A76 V77	M1-F3 HydrophobicContact CB-CE2 4.21Å; M1-F3 HydrophobicContact CB-CZ 4.07Å; M1-F3 HydrophobicContact CG-CD1 4.18Å; M1-F3 HydrophobicContact CG-CD2 4.46Å; M1-F3 HydrophobicContact CG-CE1 3.52Å; M1-F3 HydrophobicContact CG-CE2 3.87Å; M1-F3 HydrophobicContact CG-CZ 3.36Å; M1-A69 HydrophobicContact CE-CB 3.42Å; M1-A69 VanDerWaalsContact CE-CB 3.42Å; M1-A69 HydrophobicContact SD-CB 4.01Å; M1-R70 HydrophobicContact CE-CB 4.37Å; M1-R70 HydrophobicContact CE-CG 3.53Å; M1-A74 WeakPolarHBondContact CE-O 3.45Å; M1-D75 CarbonylContact C-O 3.59Å; M1-D75 WeakPolarHBondContact CA-O 3.32Å; M1-D75 VanDerWaalsContact SD-O 3.38Å; M1-A76 VanDerWaalsContact SD-CA 3.54Å; M1-V77 HydrophobicContact SD-CG2 3.93Å
2	Q	90.9	Very high	84.6	Confident	81 Å²	81	83.1 Å²	83.1	38%	0.379	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	146.1	171.1	-63.7	178.6	65.6	0	0	108.7	L9 D75 A76 V77	Q2-L9 HydrophobicContact CB-CD1 4.08Å; Q2-D75 PolarHBondContact N-O 3.21Å; Q2-A76 HydrophobicContact CB-CB 3.95Å; Q2-A76 CarbonylContact O-C 3.51Å; Q2-A76 VanDerWaalsContact O-CA 3.27Å; Q2-A76 WeakPolarHBondContact O-CA 3.47Å; Q2-V77 PolarHBondContact O-N 3.33Å
3	F	90.6	Very high	84.4	Confident	78 Å²	78	86.2 Å²	86.2	34%	0.342	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.2	179.3	-63.8	-71	0	0	0	108.3	M1 F62 L65 V77 I80	M1-F3 HydrophobicContact CB-CE2 4.21Å; M1-F3 HydrophobicContact CB-CZ 4.07Å; M1-F3 HydrophobicContact CG-CD1 4.18Å; M1-F3 HydrophobicContact CG-CD2 4.46Å; M1-F3 HydrophobicContact CG-CE1 3.52Å; M1-F3 HydrophobicContact CG-CE2 3.87Å; M1-F3 HydrophobicContact CG-CZ 3.36Å; F3-F62 HydrophobicContact CB-CD1 4.34Å; F3-F62 HydrophobicContact CB-CE1 4.04Å; F3-F62 AromaticContact CD1-CD1 3.98Å; F3-F62 HydrophobicContact CD1-CD1 3.98Å; F3-F62 HydrophobicContact CD1-CE1 4.26Å; F3-F62 HydrophobicContact CD2-CD1 4.07Å; F3-F62 HydrophobicContact CE1-CD1 4.26Å; F3-F62 HydrophobicContact CE2-CD1 4.32Å; F3-F62 AromaticContact CG-CD1 3.89Å; F3-F62 HydrophobicContact CG-CD1 3.89Å; F3-F62 HydrophobicContact CG-CE1 4.08Å; F3-F62 HydrophobicContact CZ-CD1 4.39Å; F3-F62 WeakPolarHBondContact CZ-O 3.48Å; F3-L65 HydrophobicContact CD1-CD2 4.02Å; F3-L65 HydrophobicContact CE1-CD2 3.92Å; F3-L65 HydrophobicContact CE1-CG 4.44Å; F3-V77 CarbonylContact C-O 3.44Å; F3-V77 WeakPolarHBondContact CA-O 3.32Å; F3-V77 HydrophobicContact CD1-CB 3.94Å; F3-V77 HydrophobicContact CD1-CG2 4.1Å; F3-V77 HydrophobicContact CE1-CB 4.34Å; F3-V77 HydrophobicContact CE1-CG2 3.99Å; F3-I80 HydrophobicContact CB-CD1 3.53Å; F3-I80 HydrophobicContact CD1-CD1 3.67Å; F3-I80 HydrophobicContact CG-CD1 4.05Å
4	S	89.2	Confident	84.2	Confident	22 Å²	22	84.4 Å²	84.4	15%	0.154	49%	0.488	C	S	.	.			trans	-141.2	143.3	173	-165.5	0	0	0	0	112.3	T6 V77 V78 G79 I80	S4-T6 VanDerWaalsContact C-N 3.29Å; S4-T6 PolarHBondContact OG-N 3.13Å; S4-T6 VanDerWaalsContact OG-N 3.12Å; S4-T6 PolarHBondContact OG-OG1 3.12Å; S4-V77 PolarHBondContact N-O 3.06Å; S4-V78 CarbonylContact O-C 3.59Å; S4-V78 WeakPolarHBondContact O-CA 3.17Å; S4-G79 PolarHBondContact O-N 3.42Å; S4-I80 WeakPolarHBondContact O-CG1 3.45Å; S4-I80 PolarHBondContact O-N 3.11Å
5	T	87.4	Confident	84.2	Confident	104 Å²	104	87.9 Å²	87.9	64%	0.638	51%	0.511	S	S	*	.	S	Bend	trans	-78.8	-16.1	168	58	0	0	0	0	111.9	I80	T5-I80 WeakPolarHBondContact CA-O 3.22Å; T5-I80 WeakPolarHBondContact CG2-O 3.37Å
6	T	82.6	Confident	84	Confident	66 Å²	66	91.6 Å²	91.6	41%	0.405	52%	0.522	S	S	.	.	S	Bend	trans	-80.5	152.6	174.1	57	0	0	0	0	111.3	S4 T8 V78 G79	S4-T6 VanDerWaalsContact C-N 3.29Å; S4-T6 PolarHBondContact OG-N 3.13Å; S4-T6 VanDerWaalsContact OG-N 3.12Å; S4-T6 PolarHBondContact OG-OG1 3.12Å; T6-T8 PolarHBondContact O-N 3.02Å; T6-T8 PolarHBondContact OG1-O 3.42Å; T6-V78 WeakPolarHBondContact O-CB 3.11Å; T6-G79 PolarHBondContact O-N 3.21Å
7	P	81.1	Confident	84.1	Confident	98 Å²	98	93.8 Å²	93.8	64%	0.636	52%	0.521	S	S	*	.	S	Bend	trans	-71.1	-10.9	179.2	29.1	-36	0	0	0	113.7
8	T	81.6	Confident	84.1	Confident	85 Å²	85	90.7 Å²	90.7	52%	0.521	51%	0.507	S	S	.	.	S	Bend	trans	-139.7	159.2	179.6	59.5	0	0	0	0	110.8	T6	T6-T8 PolarHBondContact O-N 3.02Å; T6-T8 PolarHBondContact OG1-O 3.42Å
9	L	79.2	Confident	84.2	Confident	29 Å²	29	88.8 Å²	88.8	15%	0.152	51%	0.51	C	S	.	.			trans	-105	124	168.8	-69.7	171.1	0	0	0	108.3	Q2 G11 Q12 A76 V78	Q2-L9 HydrophobicContact CB-CD1 4.08Å; L9-G11 PolarHBondContact O-N 3.45Å; L9-Q12 HydrophobicContact CB-CB 4.02Å; L9-Q12 HydrophobicContact CB-CG 4.32Å; L9-Q12 PolarHBondContact O-N 3.26Å; L9-A76 HydrophobicContact CD1-CB 3.81Å; L9-V78 HydrophobicContact CD1-CG1 4.31Å; L9-V78 HydrophobicContact CG-CG1 3.94Å
10	E	80.6	Confident	84.3	Confident	196 Å²	196	89.2 Å²	89.2	92%	0.916	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	133.4	179.9	-171.9	176.7	-170.7	0	0	111	Q12	E10-Q12 PolarHBondContact O-N 2.81Å
11	G	85	Confident	84.5	Confident	87 Å²	87	85.4 Å²	85.4	90%	0.897	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	1.5	-177.1	0	0	0	0	0	115.5	L9	L9-G11 PolarHBondContact O-N 3.45Å
12	Q	79.9	Confident	84.6	Confident	87 Å²	87	84.6 Å²	84.6	41%	0.407	49%	0.49	S	S	.	.			trans	-118.5	145.5	176	-60.8	179.8	45.2	0	0	111	L9 E10	L9-Q12 HydrophobicContact CB-CB 4.02Å; L9-Q12 HydrophobicContact CB-CG 4.32Å; L9-Q12 PolarHBondContact O-N 3.26Å; E10-Q12 PolarHBondContact O-N 2.81Å
13	T	81.1	Confident	84.7	Confident	124 Å²	124	80.8 Å²	80.8	76%	0.761	47%	0.472	S	S	*	.			trans	-109	127.1	176.7	-57.4	0	0	0	0	109.2	V15	T13-V15 PolarHBondContact O-N 3.14Å
14	I	82.4	Confident	84.7	Confident	61 Å²	61	81.8 Å²	81.8	31%	0.313	48%	0.478	S	S	.	.			trans	-73.2	114.6	173	-58.2	172.7	0	0	0	108.3	E16 Y17 V78	I14-E16 WeakPolarHBondContact CG2-O 3.34Å; I14-Y17 HydrophobicContact CD1-CE1 4.32Å; I14-Y17 HydrophobicContact CG2-CD1 4.27Å; I14-Y17 HydrophobicContact CG2-CD2 4.29Å; I14-Y17 HydrophobicContact CG2-CE1 3.92Å; I14-Y17 HydrophobicContact CG2-CE2 3.92Å; I14-Y17 HydrophobicContact CG2-CG 4.45Å; I14-V78 HydrophobicContact CD1-CG2 4.12Å
15	V	83.8	Confident	84.7	Confident	137 Å²	137	81 Å²	81	83%	0.83	47%	0.473	S	S	*	.			trans	-96.1	-25.3	-179.2	-62.9	0	0	0	0	113.1	T13	T13-V15 PolarHBondContact O-N 3.14Å
16	E	81.7	Confident	84.6	Confident	146 Å²	146	81 Å²	81	68%	0.682	47%	0.468	S	S	*	.			trans	-149.7	148	-178.1	-174.9	170.3	-169.5	0	0	110.1	I14	I14-E16 WeakPolarHBondContact CG2-O 3.34Å
17	Y	84.8	Confident	84.4	Confident	129 Å²	129	78.8 Å²	78.8	51%	0.506	45%	0.454	S	S	.	.			trans	-111.4	108.6	174.1	-68.9	-89.7	0	0	0	109.4	I14 G19 K102	I14-Y17 HydrophobicContact CD1-CE1 4.32Å; I14-Y17 HydrophobicContact CG2-CD1 4.27Å; I14-Y17 HydrophobicContact CG2-CD2 4.29Å; I14-Y17 HydrophobicContact CG2-CE1 3.92Å; I14-Y17 HydrophobicContact CG2-CE2 3.92Å; I14-Y17 HydrophobicContact CG2-CG 4.45Å; Y17-G19 PolarHBondContact O-N 3.43Å; Y17-K102 HydrophobicContact CD1-CD 4.47Å
18	C	84.1	Confident	83.9	Confident	39 Å²	39	75.5 Å²	75.5	26%	0.264	44%	0.438	S	S	.	.			trans	-81.5	-11.5	-170.3	-53.8	0	0	0	0	114.9	L72 A74	C18-L72 HydrophobicContact CB-CB 3.78Å; C18-L72 WeakPolarHBondContact CB-O 3.33Å; C18-A74 HydrophobicContact CB-CB 4Å
19	G	85.9	Confident	83	Confident	55 Å²	55	72.9 Å²	72.9	57%	0.567	43%	0.425	S	S	*	.			trans	135.7	-172.8	-180	0	0	0	0	0	112.8	Y17	Y17-G19 PolarHBondContact O-N 3.43Å
20	V	86.1	Confident	82.4	Confident	96 Å²	96	77.2 Å²	77.2	58%	0.582	45%	0.448	S	S	*	.			trans	-95.9	140.8	170.4	178.2	0	0	0	0	107.9
21	V	88	Confident	81.6	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.055	42%	0.422	C	S	.	.			trans	-126.1	146.4	175.9	-68.5	0	0	0	0	109.2	L65 Q68 A69 L72 V77 G100	V21-L65 HydrophobicContact CB-CD1 3.96Å; V21-L65 HydrophobicContact CB-CG 4.49Å; V21-L65 HydrophobicContact CG2-CD1 3.56Å; V21-L65 HydrophobicContact CG2-CG 3.91Å; V21-L65 WeakPolarHBondContact O-CD1 3.4Å; V21-Q68 HydrophobicContact CB-CB 4.06Å; V21-Q68 HydrophobicContact CG1-CB 3.72Å; V21-A69 HydrophobicContact CG1-CB 4.08Å; V21-A69 HydrophobicContact CG2-CB 4.35Å; V21-L72 HydrophobicContact CG1-CD1 3.62Å; V21-V77 HydrophobicContact CG2-CG1 3.74Å; V21-V77 HydrophobicContact CG2-CG2 3.98Å; V21-G100 PolarHBondContact O-N 3.23Å
22	T	91.6	Very high	80.4	Confident	48 Å²	48	68.8 Å²	68.8	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159	174.1	60.4	0	0	0	0	109.8	Q68 V98	T22-Q68 VanDerWaalsContact N-OE1 3.16Å; T22-Q68 PolarHBondContact O-NE2 2.86Å; T22-Q68 PolarHBondContact O-OE1 3.44Å; T22-V98 CarbonylContact C-O 3.58Å; T22-V98 WeakPolarHBondContact CA-O 3.4Å
23	G	91.8	Very high	79.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.5	168	0	0	0	0	0	109.8	A61 V98	G23-A61 WeakPolarHBondContact CA-O 3.35Å; G23-V98 PolarHBondContact N-O 3.22Å; G23-V98 PolarHBondContact O-N 3.05Å
24	E	91.3	Very high	78.5	Confident	100 Å²	100	73 Å²	73	47%	0.467	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.7	-171.2	-67.8	170.5	-174.3	0	0	110.2	E64 V96	E24-E64 PolarHBondContact N-OE2 3.42Å; E24-V96 CarbonylContact C-O 3.58Å; E24-V96 WeakPolarHBondContact CA-O 3.32Å
25	A	89.8	Confident	77.5	Confident	6 Å²	6	72 Å²	72	5%	0.05	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.8	173.8	0	0	0	0	0	110.7	A57 I60 A61 M95 V96	A25-A57 HydrophobicContact CB-CB 3.96Å; A25-A57 WeakPolarHBondContact CB-O 3.48Å; A25-I60 HydrophobicContact CB-CB 4.01Å; A25-I60 HydrophobicContact CB-CG2 3.94Å; A25-A61 HydrophobicContact CB-CB 4.33Å; A25-M95 CarbonylContact O-C 3.41Å; A25-M95 WeakPolarHBondContact O-CA 3.42Å; A25-V96 PolarHBondContact N-O 3.19Å; A25-V96 PolarHBondContact O-N 3Å
26	I	84	Confident	76.2	Confident	104 Å²	104	71 Å²	71	53%	0.533	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.1	-180	-56.7	175.8	0	0	0	109.8	M93 M95	I26-M93 HydrophobicContact CG2-CB 3.99Å; I26-M93 HydrophobicContact CG2-CG 4.38Å; I26-M93 HydrophobicContact CG2-SD 4Å; I26-M95 HydrophobicContact CG1-CG 4.24Å
27	L	78	Confident	75	Confident	18 Å²	18	67.5 Å²	67.5	9%	0.094	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.4	170.4	-71.1	149.5	0	0	0	109.2	I31 E53 L54 A57 M93 L94	L27-I31 HydrophobicContact CD2-CD1 4.5Å; L27-I31 HydrophobicContact CD2-CG2 4.39Å; L27-E53 HydrophobicContact CD2-CB 4.01Å; L27-L54 HydrophobicContact CD1-CD2 4.31Å; L27-A57 HydrophobicContact CD1-CB 3.65Å; L27-A57 HydrophobicContact CD2-CB 4.34Å; L27-A57 HydrophobicContact CG-CB 3.92Å; L27-M93 WeakPolarHBondContact O-CA 3.35Å; L27-L94 HydrophobicContact CB-CB 4.33Å; L27-L94 HydrophobicContact CD1-CB 4.28Å; L27-L94 HydrophobicContact CD1-CD2 4.04Å; L27-L94 PolarHBondContact N-O 2.9Å; L27-L94 PolarHBondContact O-N 3.34Å
28	G	71.2	Confident	73.5	Confident	30 Å²	30	63.7 Å²	63.7	31%	0.309	37%	0.368	S	S	.	.			trans	-71.3	162	-174.8	0	0	0	0	0	115.2	N30 I31 F32	G28-N30 VanDerWaalsContact C-N 3.3Å; G28-N30 PolarHBondContact O-N 3.46Å; G28-N30 VanDerWaalsContact O-N 3.13Å; G28-I31 PolarHBondContact O-N 2.98Å; G28-F32 PolarHBondContact O-N 3.13Å; G28-F32 VanDerWaalsContact O-N 3.13Å
29	A	63.8	Low	72	Confident	29 Å²	29	64.4 Å²	64.4	24%	0.24	37%	0.368	C	S	.	.	H	α-helix	trans	-60.7	-24.9	-170	0	0	0	0	0	116.8	R33 S92	A29-R33 WeakPolarHBondContact O-CB 3.41Å; A29-R33 WeakPolarHBondContact O-CG 3.49Å; A29-R33 PolarHBondContact O-N 3.02Å; A29-S92 WeakPolarHBondContact CA-O 3.46Å; A29-S92 WeakPolarHBondContact CB-O 3.35Å
30	N	66.5	Low	70.2	Confident	121 Å²	121	72.6 Å²	72.6	65%	0.647	38%	0.382	S	S	*	.	H	α-helix	trans	-69.3	-42.7	175.2	-71.3	-13.8	0	0	0	110.9	G28 R33 D34	G28-N30 VanDerWaalsContact C-N 3.3Å; G28-N30 PolarHBondContact O-N 3.46Å; G28-N30 VanDerWaalsContact O-N 3.13Å; N30-R33 PolarHBondContact O-N 2.98Å; N30-D34 WeakPolarHBondContact O-CB 3.13Å; N30-D34 PolarHBondContact O-N 3.31Å
31	I	62.3	Low	68.4	Low	73 Å²	73	75.1 Å²	75.1	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-42.3	176.7	-57.9	173.2	0	0	0	109.4	L27 G28 D34 F35 E53	L27-I31 HydrophobicContact CD2-CD1 4.5Å; L27-I31 HydrophobicContact CD2-CG2 4.39Å; G28-I31 PolarHBondContact O-N 2.98Å; I31-D34 PolarHBondContact O-N 3.4Å; I31-F35 WeakPolarHBondContact O-CB 3.36Å; I31-F35 PolarHBondContact O-N 2.84Å; I31-E53 HydrophobicContact CG2-CB 4.48Å; I31-E53 HydrophobicContact CG2-CG 3.94Å
32	F	61.4	Low	66.4	Low	32 Å²	32	78.8 Å²	78.8	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-68.2	-35.4	178.5	-161.8	-101.2	0	0	0	112.9	G28 F35 F36 T86 G91 S92 L94	G28-F32 PolarHBondContact O-N 3.13Å; G28-F32 VanDerWaalsContact O-N 3.13Å; F32-F35 HydrophobicContact CD2-CD1 4.39Å; F32-F35 WeakPolarHBondContact O-CB 3.24Å; F32-F35 PolarHBondContact O-N 3.24Å; F32-F36 AromaticContact CD1-CD2 3.64Å; F32-F36 HydrophobicContact CD1-CD2 3.64Å; F32-F36 AromaticContact CD1-CE2 3.79Å; F32-F36 HydrophobicContact CD1-CE2 3.79Å; F32-F36 HydrophobicContact CD2-CE2 4.34Å; F32-F36 AromaticContact CE1-CD2 3.44Å; F32-F36 HydrophobicContact CE1-CD2 3.44Å; F32-F36 VanDerWaalsContact CE1-CD2 3.44Å; F32-F36 AromaticContact CE1-CE2 3.11Å; F32-F36 HydrophobicContact CE1-CE2 3.11Å; F32-F36 HydrophobicContact CE1-CZ 4.02Å; F32-F36 HydrophobicContact CE2-CD2 4.37Å; F32-F36 AromaticContact CE2-CE2 3.76Å; F32-F36 HydrophobicContact CE2-CE2 3.76Å; F32-F36 HydrophobicContact CG-CD2 4.22Å; F32-F36 HydrophobicContact CG-CE2 4.38Å; F32-F36 AromaticContact CZ-CD2 3.89Å; F32-F36 HydrophobicContact CZ-CD2 3.89Å; F32-F36 AromaticContact CZ-CE2 3.14Å; F32-F36 HydrophobicContact CZ-CE2 3.14Å; F32-F36 AromaticContact CZ-CZ 3.98Å; F32-F36 HydrophobicContact CZ-CZ 3.98Å; F32-F36 WeakPolarHBondContact O-CD2 3.37Å; F32-F36 PolarHBondContact O-N 2.75Å; F32-T86 HydrophobicContact CZ-CG2 4.4Å; F32-G91 WeakPolarHBondContact CE1-O 3.31Å; F32-G91 VanDerWaalsContact CZ-O 3.27Å; F32-G91 WeakPolarHBondContact CZ-O 3.32Å; F32-S92 WeakPolarHBondContact CB-O 3.44Å; F32-L94 HydrophobicContact CD2-CB 4.29Å; F32-L94 HydrophobicContact CE2-CB 4.17Å
33	R	59	Low	64.1	Low	178 Å²	178	84 Å²	84	67%	0.672	44%	0.442	S	S	*	.	H	α-helix	trans	-68	-45.8	172.4	-83.7	-173.4	-159.1	171	7.2	112.2	A29 N30 F35 F36 A37	A29-R33 WeakPolarHBondContact O-CB 3.41Å; A29-R33 WeakPolarHBondContact O-CG 3.49Å; A29-R33 PolarHBondContact O-N 3.02Å; N30-R33 PolarHBondContact O-N 2.98Å; R33-F35 PolarHBondContact O-N 2.82Å; R33-F36 PolarHBondContact O-N 3.05Å; R33-A37 VanDerWaalsContact O-CB 3.32Å; R33-A37 WeakPolarHBondContact O-CB 3.09Å; R33-A37 PolarHBondContact O-N 3.31Å
34	D	61.8	Low	61.8	Low	122 Å²	122	87.9 Å²	87.9	65%	0.652	48%	0.483	S	S	*	.	H	α-helix	trans	-60.4	-36.9	176.5	-68.3	-17	0	0	0	110.3	N30 I31 G38	N30-D34 WeakPolarHBondContact O-CB 3.13Å; N30-D34 PolarHBondContact O-N 3.31Å; I31-D34 PolarHBondContact O-N 3.4Å; D34-G38 PolarHBondContact O-N 2.85Å; D34-G38 VanDerWaalsContact O-N 3.12Å
35	F	59.9	Low	59.6	Low	40 Å²	40	85.3 Å²	85.3	18%	0.175	48%	0.483	C	S	.	.	H	α-helix	trans	-60.4	-54.1	172	-179.2	-113.8	0	0	0	112.1	I31 F32 R33 A37 G38 I39 Y50	I31-F35 WeakPolarHBondContact O-CB 3.36Å; I31-F35 PolarHBondContact O-N 2.84Å; F32-F35 HydrophobicContact CD2-CD1 4.39Å; F32-F35 WeakPolarHBondContact O-CB 3.24Å; F32-F35 PolarHBondContact O-N 3.24Å; R33-F35 PolarHBondContact O-N 2.82Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 3.33Å; F35-G38 PolarHBondContact O-N 3.21Å; F35-I39 HydrophobicContact CD1-CD1 3.6Å; F35-I39 HydrophobicContact CD2-CD1 3.74Å; F35-I39 HydrophobicContact CD2-CG1 4.41Å; F35-I39 HydrophobicContact CE1-CD1 3.23Å; F35-I39 HydrophobicContact CE2-CD1 3.25Å; F35-I39 HydrophobicContact CE2-CG1 3.97Å; F35-I39 HydrophobicContact CG-CD1 3.84Å; F35-I39 HydrophobicContact CZ-CD1 3.02Å; F35-I39 HydrophobicContact CZ-CG1 4.14Å; F35-I39 WeakPolarHBondContact O-CD1 3.33Å; F35-I39 WeakPolarHBondContact O-CG1 3.5Å; F35-I39 PolarHBondContact O-N 3.13Å; F35-Y50 HydrophobicContact CD1-CD2 4.27Å; F35-Y50 HydrophobicContact CD1-CE2 4.33Å; F35-Y50 AromaticContact CD2-CD2 3.75Å; F35-Y50 HydrophobicContact CD2-CD2 3.75Å; F35-Y50 HydrophobicContact CD2-CG 4.26Å; F35-Y50 AromaticContact CE1-CD2 3.56Å; F35-Y50 HydrophobicContact CE1-CD2 3.56Å; F35-Y50 AromaticContact CE1-CE2 3.46Å; F35-Y50 HydrophobicContact CE1-CE2 3.46Å; F35-Y50 VanDerWaalsContact CE1-CE2 3.46Å; F35-Y50 HydrophobicContact CE1-CG 4.36Å; F35-Y50 HydrophobicContact CE2-CD1 4.29Å; F35-Y50 AromaticContact CE2-CD2 3.04Å; F35-Y50 HydrophobicContact CE2-CD2 3.04Å; F35-Y50 AromaticContact CE2-CE2 3.86Å; F35-Y50 HydrophobicContact CE2-CE2 3.86Å; F35-Y50 AromaticContact CE2-CG 3.27Å; F35-Y50 HydrophobicContact CE2-CG 3.27Å; F35-Y50 HydrophobicContact CG-CD2 4.34Å; F35-Y50 AromaticContact CZ-CD1 3.97Å; F35-Y50 HydrophobicContact CZ-CD1 3.97Å; F35-Y50 AromaticContact CZ-CD2 2.86Å; F35-Y50 HydrophobicContact CZ-CD2 2.86Å; F35-Y50 HydrophobicContact CZ-CE1 4.23Å; F35-Y50 AromaticContact CZ-CE2 3.18Å; F35-Y50 HydrophobicContact CZ-CE2 3.18Å; F35-Y50 AromaticContact CZ-CG 3.28Å; F35-Y50 HydrophobicContact CZ-CG 3.28Å; F35-Y50 AromaticContact CZ-CZ 3.86Å
36	F	58.1	Low	57.7	Low	117 Å²	117	95.3 Å²	95.3	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-32.8	178.5	-93.7	-91.7	0	0	0	113.8	F32 R33 G38 I39	F32-F36 AromaticContact CD1-CD2 3.64Å; F32-F36 HydrophobicContact CD1-CD2 3.64Å; F32-F36 AromaticContact CD1-CE2 3.79Å; F32-F36 HydrophobicContact CD1-CE2 3.79Å; F32-F36 HydrophobicContact CD2-CE2 4.34Å; F32-F36 AromaticContact CE1-CD2 3.44Å; F32-F36 HydrophobicContact CE1-CD2 3.44Å; F32-F36 VanDerWaalsContact CE1-CD2 3.44Å; F32-F36 AromaticContact CE1-CE2 3.11Å; F32-F36 HydrophobicContact CE1-CE2 3.11Å; F32-F36 HydrophobicContact CE1-CZ 4.02Å; F32-F36 HydrophobicContact CE2-CD2 4.37Å; F32-F36 AromaticContact CE2-CE2 3.76Å; F32-F36 HydrophobicContact CE2-CE2 3.76Å; F32-F36 HydrophobicContact CG-CD2 4.22Å; F32-F36 HydrophobicContact CG-CE2 4.38Å; F32-F36 AromaticContact CZ-CD2 3.89Å; F32-F36 HydrophobicContact CZ-CD2 3.89Å; F32-F36 AromaticContact CZ-CE2 3.14Å; F32-F36 HydrophobicContact CZ-CE2 3.14Å; F32-F36 AromaticContact CZ-CZ 3.98Å; F32-F36 HydrophobicContact CZ-CZ 3.98Å; F32-F36 WeakPolarHBondContact O-CD2 3.37Å; F32-F36 PolarHBondContact O-N 2.75Å; R33-F36 PolarHBondContact O-N 3.05Å; F36-G38 VanDerWaalsContact C-N 3.31Å; F36-I39 PolarHBondContact O-N 3.01Å
37	A	56.6	Low	56.4	Low	72 Å²	72	92 Å²	92	60%	0.595	51%	0.505	S	S	*	.	H	α-helix	trans	-65.9	-34.8	175.1	0	0	0	0	0	111.8	R33 F35	R33-A37 VanDerWaalsContact O-CB 3.32Å; R33-A37 WeakPolarHBondContact O-CB 3.09Å; R33-A37 PolarHBondContact O-N 3.31Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 3.33Å
38	G	53.2	Low	55.6	Low	48 Å²	48	93.7 Å²	93.7	50%	0.495	53%	0.527	S	S	.	.	H	α-helix	trans	-82.6	-12.8	178.2	0	0	0	0	0	115.7	D34 F35 F36	D34-G38 PolarHBondContact O-N 2.85Å; D34-G38 VanDerWaalsContact O-N 3.12Å; F35-G38 PolarHBondContact O-N 3.21Å; F36-G38 VanDerWaalsContact C-N 3.31Å
39	I	51.7	Low	55.3	Low	54 Å²	54	95.6 Å²	95.6	28%	0.277	54%	0.54	S	S	.	.	H	α-helix	trans	-93.6	-19.8	-177.2	-66.9	161	0	0	0	112.7	F35 F36 D41 I42	F35-I39 HydrophobicContact CD1-CD1 3.6Å; F35-I39 HydrophobicContact CD2-CD1 3.74Å; F35-I39 HydrophobicContact CD2-CG1 4.41Å; F35-I39 HydrophobicContact CE1-CD1 3.23Å; F35-I39 HydrophobicContact CE2-CD1 3.25Å; F35-I39 HydrophobicContact CE2-CG1 3.97Å; F35-I39 HydrophobicContact CG-CD1 3.84Å; F35-I39 HydrophobicContact CZ-CD1 3.02Å; F35-I39 HydrophobicContact CZ-CG1 4.14Å; F35-I39 WeakPolarHBondContact O-CD1 3.33Å; F35-I39 WeakPolarHBondContact O-CG1 3.5Å; F35-I39 PolarHBondContact O-N 3.13Å; F36-I39 PolarHBondContact O-N 3.01Å; I39-D41 PolarHBondContact O-N 3.27Å; I39-I42 PolarHBondContact O-N 2.95Å
40	R	49.1	Very low	55.4	Low	227 Å²	227	98.3 Å²	98.3	86%	0.857	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.5	-176	-156.1	175.6	-175.9	172.6	1	113.4
41	D	48.7	Very low	55.6	Low	150 Å²	150	95.5 Å²	95.5	80%	0.802	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	2.7	-179.4	-66.2	-27.2	0	0	0	114.6	I39	I39-D41 PolarHBondContact O-N 3.27Å
42	I	44.7	Very low	56.3	Low	86 Å²	86	98.7 Å²	98.7	44%	0.441	54%	0.539	S	S	.	.			trans	-125	99	-175.5	-58.3	177.7	0	0	0	111.1	I39 G44	I39-I42 PolarHBondContact O-N 2.95Å; I42-G44 PolarHBondContact O-N 2.88Å
43	V	42.7	Very low	57.1	Low	156 Å²	156	99.6 Å²	99.6	95%	0.945	54%	0.544	S	S	*	.	S	Bend	trans	-79.2	96.3	164.3	-179.1	0	0	0	0	108
44	G	44.4	Very low	58.2	Low	83 Å²	83	92.2 Å²	92.2	86%	0.856	52%	0.518	S	S	*	.	S	Bend	trans	89.4	38.2	157.5	0	0	0	0	0	118.6	I42	I42-G44 PolarHBondContact O-N 2.88Å
45	G	45.3	Very low	59.4	Low	46 Å²	46	92.2 Å²	92.2	47%	0.474	51%	0.508	S	S	.	.			trans	-137.7	133.8	172.4	0	0	0	0	0	112.6	S47	G45-S47 PolarHBondContact O-N 3.17Å
46	R	50.4	Low	60.7	Low	216 Å²	216	95.7 Å²	95.7	82%	0.815	52%	0.523	S	S	*	.			trans	-43.3	109.6	174.1	-73.2	171.9	127.7	157.1	4.3	110.6	G48 E51	R46-G48 PolarHBondContact O-N 3.4Å; R46-E51 VanDerWaalsContact CD-OE1 3.3Å; R46-E51 WeakPolarHBondContact CD-OE1 3.28Å; R46-E51 VanDerWaalsContact CG-OE1 3.31Å; R46-E51 WeakPolarHBondContact CG-OE1 3.33Å; R46-E51 IonicContact CZ-OE1 3.99Å; R46-E51 IonicContact NE-OE1 3.68Å; R46-E51 PolarHBondContact NE-OE1 2.84Å; R46-E51 IonicContact NH2-OE1 3.31Å
47	S	57	Low	62.1	Low	33 Å²	33	90.2 Å²	90.2	23%	0.231	50%	0.5	C	S	.	.			trans	-80.7	109.9	172.9	53.1	0	0	0	0	108.3	G45 A49 Y50 E51	G45-S47 PolarHBondContact O-N 3.17Å; S47-A49 PolarHBondContact O-N 2.94Å; S47-Y50 WeakPolarHBondContact O-CA 3.46Å; S47-Y50 VanDerWaalsContact O-CB 3.24Å; S47-Y50 WeakPolarHBondContact O-CB 3.49Å; S47-Y50 PolarHBondContact O-N 3.26Å; S47-Y50 WeakPolarHBondContact OG-CB 3.38Å; S47-E51 PolarHBondContact O-N 3.45Å
48	G	61.2	Low	63.8	Low	54 Å²	54	90.9 Å²	90.9	56%	0.557	49%	0.487	S	S	*	.	H	α-helix	trans	-56.6	-24.4	-176.6	0	0	0	0	0	114	R46 K52	R46-G48 PolarHBondContact O-N 3.4Å; G48-K52 WeakPolarHBondContact O-CB 3.07Å; G48-K52 PolarHBondContact O-N 2.91Å
49	A	63.7	Low	65.6	Low	71 Å²	71	93.7 Å²	93.7	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-67.6	-40.1	171.3	0	0	0	0	0	112.7	S47 K52 E53	S47-A49 PolarHBondContact O-N 2.94Å; A49-K52 PolarHBondContact O-N 2.92Å; A49-E53 PolarHBondContact O-N 3.32Å; A49-E53 VanDerWaalsContact O-N 3.14Å
50	Y	65.2	Low	67.5	Low	85 Å²	85	94.7 Å²	94.7	33%	0.333	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-51.8	175.5	-169.6	-140.4	0	0	0	111.9	F35 S47 K52 E53 L54	F35-Y50 HydrophobicContact CD1-CD2 4.27Å; F35-Y50 HydrophobicContact CD1-CE2 4.33Å; F35-Y50 AromaticContact CD2-CD2 3.75Å; F35-Y50 HydrophobicContact CD2-CD2 3.75Å; F35-Y50 HydrophobicContact CD2-CG 4.26Å; F35-Y50 AromaticContact CE1-CD2 3.56Å; F35-Y50 HydrophobicContact CE1-CD2 3.56Å; F35-Y50 AromaticContact CE1-CE2 3.46Å; F35-Y50 HydrophobicContact CE1-CE2 3.46Å; F35-Y50 VanDerWaalsContact CE1-CE2 3.46Å; F35-Y50 HydrophobicContact CE1-CG 4.36Å; F35-Y50 HydrophobicContact CE2-CD1 4.29Å; F35-Y50 AromaticContact CE2-CD2 3.04Å; F35-Y50 HydrophobicContact CE2-CD2 3.04Å; F35-Y50 AromaticContact CE2-CE2 3.86Å; F35-Y50 HydrophobicContact CE2-CE2 3.86Å; F35-Y50 AromaticContact CE2-CG 3.27Å; F35-Y50 HydrophobicContact CE2-CG 3.27Å; F35-Y50 HydrophobicContact CG-CD2 4.34Å; F35-Y50 AromaticContact CZ-CD1 3.97Å; F35-Y50 HydrophobicContact CZ-CD1 3.97Å; F35-Y50 AromaticContact CZ-CD2 2.86Å; F35-Y50 HydrophobicContact CZ-CD2 2.86Å; F35-Y50 HydrophobicContact CZ-CE1 4.23Å; F35-Y50 AromaticContact CZ-CE2 3.18Å; F35-Y50 HydrophobicContact CZ-CE2 3.18Å; F35-Y50 AromaticContact CZ-CG 3.28Å; F35-Y50 HydrophobicContact CZ-CG 3.28Å; F35-Y50 AromaticContact CZ-CZ 3.86Å; S47-Y50 WeakPolarHBondContact O-CA 3.46Å; S47-Y50 VanDerWaalsContact O-CB 3.24Å; S47-Y50 WeakPolarHBondContact O-CB 3.49Å; S47-Y50 PolarHBondContact O-N 3.26Å; S47-Y50 WeakPolarHBondContact OG-CB 3.38Å; Y50-K52 PolarHBondContact O-N 3.29Å; Y50-E53 PolarHBondContact O-N 3.4Å; Y50-E53 VanDerWaalsContact O-N 3.17Å; Y50-L54 HydrophobicContact CD1-CD1 3.78Å; Y50-L54 HydrophobicContact CD1-CG 4.42Å; Y50-L54 HydrophobicContact CD2-CD1 4.13Å; Y50-L54 HydrophobicContact CD2-CG 3.93Å; Y50-L54 HydrophobicContact CE1-CD1 3.34Å; Y50-L54 HydrophobicContact CE1-CG 4.19Å; Y50-L54 HydrophobicContact CE2-CD1 3.77Å; Y50-L54 HydrophobicContact CE2-CD2 3.9Å; Y50-L54 HydrophobicContact CE2-CG 3.71Å; Y50-L54 HydrophobicContact CG-CD1 4.18Å; Y50-L54 HydrophobicContact CG-CG 4.33Å; Y50-L54 WeakPolarHBondContact O-CB 3.43Å; Y50-L54 WeakPolarHBondContact O-CG 3.27Å; Y50-L54 PolarHBondContact O-N 3.45Å
51	E	71.8	Confident	69.6	Low	63 Å²	63	83.9 Å²	83.9	29%	0.294	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-32.7	-174.1	-65.4	-171	157.4	0	0	110.3	R46 S47 R55	R46-E51 VanDerWaalsContact CD-OE1 3.3Å; R46-E51 WeakPolarHBondContact CD-OE1 3.28Å; R46-E51 VanDerWaalsContact CG-OE1 3.31Å; R46-E51 WeakPolarHBondContact CG-OE1 3.33Å; R46-E51 IonicContact CZ-OE1 3.99Å; R46-E51 IonicContact NE-OE1 3.68Å; R46-E51 PolarHBondContact NE-OE1 2.84Å; R46-E51 IonicContact NH2-OE1 3.31Å; S47-E51 PolarHBondContact O-N 3.45Å; E51-R55 WeakPolarHBondContact O-CB 2.94Å; E51-R55 PolarHBondContact O-N 3.33Å
52	K	77.8	Confident	71.7	Confident	139 Å²	139	78.9 Å²	78.9	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-66.3	-47.9	174.9	-173.1	-178.8	177.7	-174.1	0	111.8	G48 A49 Y50 R55 K56	G48-K52 WeakPolarHBondContact O-CB 3.07Å; G48-K52 PolarHBondContact O-N 2.91Å; A49-K52 PolarHBondContact O-N 2.92Å; Y50-K52 PolarHBondContact O-N 3.29Å; K52-R55 PolarHBondContact O-N 3.28Å; K52-K56 WeakPolarHBondContact O-CB 3.31Å; K52-K56 PolarHBondContact O-N 2.97Å
53	E	76.8	Confident	74.1	Confident	52 Å²	52	81.1 Å²	81.1	24%	0.243	43%	0.431	C	S	.	.	H	α-helix	trans	-69.5	-41.2	-179.8	-67.3	-53.1	131.3	0	0	112.1	L27 I31 A49 Y50 R55 K56 A57	L27-E53 HydrophobicContact CD2-CB 4.01Å; I31-E53 HydrophobicContact CG2-CB 4.48Å; I31-E53 HydrophobicContact CG2-CG 3.94Å; A49-E53 PolarHBondContact O-N 3.32Å; A49-E53 VanDerWaalsContact O-N 3.14Å; Y50-E53 PolarHBondContact O-N 3.4Å; Y50-E53 VanDerWaalsContact O-N 3.17Å; E53-R55 VanDerWaalsContact C-N 3.33Å; E53-R55 PolarHBondContact O-N 3.35Å; E53-K56 PolarHBondContact O-N 2.94Å; E53-A57 PolarHBondContact O-N 2.76Å
54	L	83.4	Confident	76.5	Confident	23 Å²	23	77.4 Å²	77.4	12%	0.12	40%	0.403	C	S	.	.	H	α-helix	trans	-60.8	-41.9	172.3	-73.8	-173.8	0	0	0	112.4	L27 Y50 K56 A57 R58 Y84 L94	L27-L54 HydrophobicContact CD1-CD2 4.31Å; Y50-L54 HydrophobicContact CD1-CD1 3.78Å; Y50-L54 HydrophobicContact CD1-CG 4.42Å; Y50-L54 HydrophobicContact CD2-CD1 4.13Å; Y50-L54 HydrophobicContact CD2-CG 3.93Å; Y50-L54 HydrophobicContact CE1-CD1 3.34Å; Y50-L54 HydrophobicContact CE1-CG 4.19Å; Y50-L54 HydrophobicContact CE2-CD1 3.77Å; Y50-L54 HydrophobicContact CE2-CD2 3.9Å; Y50-L54 HydrophobicContact CE2-CG 3.71Å; Y50-L54 HydrophobicContact CG-CD1 4.18Å; Y50-L54 HydrophobicContact CG-CG 4.33Å; Y50-L54 WeakPolarHBondContact O-CB 3.43Å; Y50-L54 WeakPolarHBondContact O-CG 3.27Å; Y50-L54 PolarHBondContact O-N 3.45Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-A57 PolarHBondContact O-N 2.81Å; L54-R58 WeakPolarHBondContact O-CB 3.42Å; L54-R58 PolarHBondContact O-N 2.93Å; L54-Y84 HydrophobicContact CD2-CD1 3.96Å; L54-Y84 HydrophobicContact CD2-CE1 3.98Å; L54-L94 HydrophobicContact CD2-CD2 3.28Å
55	R	86	Confident	78.8	Confident	121 Å²	121	73.4 Å²	73.4	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-45.2	176.4	-178	-175.8	-54.4	149.5	7.4	110.6	E51 K52 E53 R58 E59	E51-R55 WeakPolarHBondContact O-CB 2.94Å; E51-R55 PolarHBondContact O-N 3.33Å; K52-R55 PolarHBondContact O-N 3.28Å; E53-R55 VanDerWaalsContact C-N 3.33Å; E53-R55 PolarHBondContact O-N 3.35Å; R55-R58 PolarHBondContact O-N 2.92Å; R55-E59 HydrophobicContact CG-CG 4.48Å; R55-E59 WeakPolarHBondContact CG-OE1 3.39Å; R55-E59 WeakPolarHBondContact O-CG 3.32Å; R55-E59 PolarHBondContact O-N 3.39Å
56	K	86.8	Confident	81	Confident	114 Å²	114	71.3 Å²	71.3	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.5	-173.5	-179.1	177.4	-172.4	0	111.9	K52 E53 L54 E59 I60	K52-K56 WeakPolarHBondContact O-CB 3.31Å; K52-K56 PolarHBondContact O-N 2.97Å; E53-K56 PolarHBondContact O-N 2.94Å; L54-K56 VanDerWaalsContact C-N 3.33Å; K56-E59 PolarHBondContact O-N 3.11Å; K56-I60 HydrophobicContact CG-CD1 4.23Å; K56-I60 VanDerWaalsContact O-CG1 3.31Å; K56-I60 WeakPolarHBondContact O-CG1 3.42Å; K56-I60 PolarHBondContact O-N 3.19Å
57	A	88.6	Confident	83.1	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-43.2	176	0	0	0	0	0	111.8	A25 L27 E53 L54 I60 A61 V96	A25-A57 HydrophobicContact CB-CB 3.96Å; A25-A57 WeakPolarHBondContact CB-O 3.48Å; L27-A57 HydrophobicContact CD1-CB 3.65Å; L27-A57 HydrophobicContact CD2-CB 4.34Å; L27-A57 HydrophobicContact CG-CB 3.92Å; E53-A57 PolarHBondContact O-N 2.76Å; L54-A57 PolarHBondContact O-N 2.81Å; A57-I60 PolarHBondContact O-N 3Å; A57-A61 PolarHBondContact O-N 2.92Å; A57-V96 HydrophobicContact CB-CB 4.29Å; A57-V96 HydrophobicContact CB-CG2 3.56Å
58	R	90.8	Very high	84.8	Confident	86 Å²	86	65.7 Å²	65.7	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-41.7	174.6	-175.2	173.5	54.2	-132.7	-0.3	112.3	L54 R55 I60 A61 F62 Y84 V96	L54-R58 WeakPolarHBondContact O-CB 3.42Å; L54-R58 PolarHBondContact O-N 2.93Å; R55-R58 PolarHBondContact O-N 2.92Å; R58-I60 VanDerWaalsContact C-N 3.33Å; R58-I60 PolarHBondContact O-N 2.9Å; R58-A61 PolarHBondContact O-N 3.41Å; R58-F62 HydrophobicContact CG-CD2 3.66Å; R58-F62 HydrophobicContact CG-CE2 3.68Å; R58-F62 VanDerWaalsContact O-CD2 3.28Å; R58-F62 WeakPolarHBondContact O-CD2 3.5Å; R58-F62 PolarHBondContact O-N 3.33Å; R58-Y84 PolarHBondContact NH1-OH 2.93Å; R58-V96 HydrophobicContact CB-CG1 4.46Å
59	E	91.8	Very high	86.1	Confident	106 Å²	106	63.2 Å²	63.2	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-57.8	-45.8	175.3	-76.2	166.9	-176.3	0	0	111.2	R55 K56 F62 E63	R55-E59 HydrophobicContact CG-CG 4.48Å; R55-E59 WeakPolarHBondContact CG-OE1 3.39Å; R55-E59 WeakPolarHBondContact O-CG 3.32Å; R55-E59 PolarHBondContact O-N 3.39Å; K56-E59 PolarHBondContact O-N 3.11Å; E59-F62 PolarHBondContact O-N 2.98Å; E59-E63 WeakPolarHBondContact O-CG 3.5Å; E59-E63 PolarHBondContact O-N 2.9Å
60	I	91.7	Very high	87.5	Confident	76 Å²	76	66.8 Å²	66.8	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-47.8	175.9	-66.8	163.9	0	0	0	111.3	A25 K56 A57 R58 F62 E63 E64	A25-I60 HydrophobicContact CB-CB 4.01Å; A25-I60 HydrophobicContact CB-CG2 3.94Å; K56-I60 HydrophobicContact CG-CD1 4.23Å; K56-I60 VanDerWaalsContact O-CG1 3.31Å; K56-I60 WeakPolarHBondContact O-CG1 3.42Å; K56-I60 PolarHBondContact O-N 3.19Å; A57-I60 PolarHBondContact O-N 3Å; R58-I60 VanDerWaalsContact C-N 3.33Å; R58-I60 PolarHBondContact O-N 2.9Å; I60-F62 VanDerWaalsContact C-N 3.34Å; I60-F62 PolarHBondContact O-N 3.03Å; I60-E63 WeakPolarHBondContact O-CB 3.28Å; I60-E63 PolarHBondContact O-N 2.89Å; I60-E64 PolarHBondContact O-N 3.46Å
61	A	93	Very high	88.7	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-41	178.9	0	0	0	0	0	111.8	G23 A25 A57 R58 E64 L65 V98	G23-A61 WeakPolarHBondContact CA-O 3.35Å; A25-A61 HydrophobicContact CB-CB 4.33Å; A57-A61 PolarHBondContact O-N 2.92Å; R58-A61 PolarHBondContact O-N 3.41Å; A61-E64 PolarHBondContact O-N 2.97Å; A61-L65 VanDerWaalsContact O-CB 3.32Å; A61-L65 WeakPolarHBondContact O-CB 3.37Å; A61-L65 PolarHBondContact O-N 3.48Å; A61-V98 HydrophobicContact CB-CB 4.33Å; A61-V98 HydrophobicContact CB-CG2 3.61Å
62	F	93.7	Very high	89.5	Confident	44 Å²	44	67.9 Å²	67.9	19%	0.193	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-32.9	175.4	-89.4	-97.6	0	0	0	113.3	F3 R58 E59 I60 L65 G66 I80 I82 V98	F3-F62 HydrophobicContact CB-CD1 4.34Å; F3-F62 HydrophobicContact CB-CE1 4.04Å; F3-F62 AromaticContact CD1-CD1 3.98Å; F3-F62 HydrophobicContact CD1-CD1 3.98Å; F3-F62 HydrophobicContact CD1-CE1 4.26Å; F3-F62 HydrophobicContact CD2-CD1 4.07Å; F3-F62 HydrophobicContact CE1-CD1 4.26Å; F3-F62 HydrophobicContact CE2-CD1 4.32Å; F3-F62 AromaticContact CG-CD1 3.89Å; F3-F62 HydrophobicContact CG-CD1 3.89Å; F3-F62 HydrophobicContact CG-CE1 4.08Å; F3-F62 HydrophobicContact CZ-CD1 4.39Å; F3-F62 WeakPolarHBondContact CZ-O 3.48Å; R58-F62 HydrophobicContact CG-CD2 3.66Å; R58-F62 HydrophobicContact CG-CE2 3.68Å; R58-F62 VanDerWaalsContact O-CD2 3.28Å; R58-F62 WeakPolarHBondContact O-CD2 3.5Å; R58-F62 PolarHBondContact O-N 3.33Å; E59-F62 PolarHBondContact O-N 2.98Å; I60-F62 VanDerWaalsContact C-N 3.34Å; I60-F62 PolarHBondContact O-N 3.03Å; F62-L65 HydrophobicContact CD1-CD2 4.41Å; F62-G66 PolarHBondContact O-N 3.29Å; F62-I80 HydrophobicContact CE1-CD1 3.93Å; F62-I80 HydrophobicContact CE1-CG2 4.25Å; F62-I80 HydrophobicContact CZ-CG2 3.92Å; F62-I82 HydrophobicContact CE2-CD1 3.71Å; F62-I82 HydrophobicContact CE2-CG1 4.04Å; F62-I82 HydrophobicContact CZ-CD1 3.78Å; F62-I82 HydrophobicContact CZ-CG1 4.16Å; F62-V98 HydrophobicContact CD2-CG1 4.25Å; F62-V98 HydrophobicContact CD2-CG2 3.87Å; F62-V98 HydrophobicContact CE1-CG1 4.44Å; F62-V98 HydrophobicContact CE2-CB 4.44Å; F62-V98 HydrophobicContact CE2-CG1 3.82Å; F62-V98 HydrophobicContact CE2-CG2 3.74Å; F62-V98 HydrophobicContact CZ-CG1 3.94Å
63	E	93.8	Very high	90	Very high	133 Å²	133	64.3 Å²	64.3	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-64.7	-42	173.2	-77.8	177.8	179.5	0	0	111.7	E59 I60 S67	E59-E63 WeakPolarHBondContact O-CG 3.5Å; E59-E63 PolarHBondContact O-N 2.9Å; I60-E63 WeakPolarHBondContact O-CB 3.28Å; I60-E63 PolarHBondContact O-N 2.89Å; E63-S67 WeakPolarHBondContact O-CB 3.34Å; E63-S67 PolarHBondContact O-N 3.01Å; E63-S67 PolarHBondContact O-OG 3.24Å
64	E	92.7	Very high	90.5	Very high	78 Å²	78	62.7 Å²	62.7	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-50.4	175	-173.8	174.7	-164.5	0	0	111.4	E24 I60 A61 G66 S67 Q68	E24-E64 PolarHBondContact N-OE2 3.42Å; I60-E64 PolarHBondContact O-N 3.46Å; A61-E64 PolarHBondContact O-N 2.97Å; E64-G66 VanDerWaalsContact C-N 3.28Å; E64-G66 PolarHBondContact O-N 3.42Å; E64-S67 WeakPolarHBondContact O-CA 3.3Å; E64-S67 WeakPolarHBondContact O-CB 3.19Å; E64-S67 PolarHBondContact O-N 3.38Å; E64-Q68 PolarHBondContact O-N 3.02Å
65	L	93	Very high	90.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-51.8	-47.9	175.4	-170.3	81.4	0	0	0	111.4	F3 V21 A61 F62 S67 A69 V77 I80 V98	F3-L65 HydrophobicContact CD1-CD2 4.02Å; F3-L65 HydrophobicContact CE1-CD2 3.92Å; F3-L65 HydrophobicContact CE1-CG 4.44Å; V21-L65 HydrophobicContact CB-CD1 3.96Å; V21-L65 HydrophobicContact CB-CG 4.49Å; V21-L65 HydrophobicContact CG2-CD1 3.56Å; V21-L65 HydrophobicContact CG2-CG 3.91Å; V21-L65 WeakPolarHBondContact O-CD1 3.4Å; A61-L65 VanDerWaalsContact O-CB 3.32Å; A61-L65 WeakPolarHBondContact O-CB 3.37Å; A61-L65 PolarHBondContact O-N 3.48Å; F62-L65 HydrophobicContact CD1-CD2 4.41Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.02Å; L65-A69 VanDerWaalsContact O-CB 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.31Å; L65-A69 PolarHBondContact O-N 3.14Å; L65-V77 HydrophobicContact CD2-CG1 4.11Å; L65-V77 HydrophobicContact CG-CG1 4.42Å; L65-I80 HydrophobicContact CD2-CD1 4.02Å; L65-I80 HydrophobicContact CD2-CG1 4.23Å; L65-V98 HydrophobicContact CD1-CG1 4.42Å; L65-V98 HydrophobicContact CD2-CG1 3.71Å
66	G	92.8	Very high	91	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-31.4	178.2	0	0	0	0	0	113.5	F62 E64 R70	F62-G66 PolarHBondContact O-N 3.29Å; E64-G66 VanDerWaalsContact C-N 3.28Å; E64-G66 PolarHBondContact O-N 3.42Å; G66-R70 VanDerWaalsContact O-CG 3.28Å; G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.45Å; G66-R70 PolarHBondContact O-NH1 2.96Å
67	S	93.3	Very high	91.1	Very high	67 Å²	67	57.6 Å²	57.6	47%	0.469	31%	0.314	S	S	.	.	H	α-helix	trans	-72.9	-43.2	177.1	-61.2	0	0	0	0	111.5	E63 E64 L65 R70 A71	E63-S67 WeakPolarHBondContact O-CB 3.34Å; E63-S67 PolarHBondContact O-N 3.01Å; E63-S67 PolarHBondContact O-OG 3.24Å; E64-S67 WeakPolarHBondContact O-CA 3.3Å; E64-S67 WeakPolarHBondContact O-CB 3.19Å; E64-S67 PolarHBondContact O-N 3.38Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 3.02Å; S67-R70 PolarHBondContact O-N 2.83Å; S67-A71 PolarHBondContact O-N 2.89Å
68	Q	92.1	Very high	91.1	Very high	64 Å²	64	59.5 Å²	59.5	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-44.4	171.8	-65.5	-170.2	16.6	0	0	111.3	V21 T22 E64 R70 A71 L72	V21-Q68 HydrophobicContact CB-CB 4.06Å; V21-Q68 HydrophobicContact CG1-CB 3.72Å; T22-Q68 VanDerWaalsContact N-OE1 3.16Å; T22-Q68 PolarHBondContact O-NE2 2.86Å; T22-Q68 PolarHBondContact O-OE1 3.44Å; E64-Q68 PolarHBondContact O-N 3.02Å; Q68-R70 PolarHBondContact O-N 2.87Å; Q68-A71 WeakPolarHBondContact O-CB 3.14Å; Q68-A71 PolarHBondContact O-N 3.35Å; Q68-A71 VanDerWaalsContact O-N 3.14Å; Q68-L72 WeakPolarHBondContact O-CG 3.31Å; Q68-L72 PolarHBondContact O-N 2.72Å; Q68-L72 VanDerWaalsContact O-N 3.11Å
69	A	89.9	Confident	90.8	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-44.3	178.8	0	0	0	0	0	112.2	M1 V21 L65 A71 L72 G73 A74 V77	M1-A69 HydrophobicContact CE-CB 3.42Å; M1-A69 VanDerWaalsContact CE-CB 3.42Å; M1-A69 HydrophobicContact SD-CB 4.01Å; V21-A69 HydrophobicContact CG1-CB 4.08Å; V21-A69 HydrophobicContact CG2-CB 4.35Å; L65-A69 VanDerWaalsContact O-CB 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.31Å; L65-A69 PolarHBondContact O-N 3.14Å; A69-A71 VanDerWaalsContact C-N 3.32Å; A69-A71 PolarHBondContact O-N 3Å; A69-L72 PolarHBondContact O-N 2.99Å; A69-G73 PolarHBondContact O-N 2.89Å; A69-A74 HydrophobicContact CB-CB 4.19Å; A69-A74 VanDerWaalsContact O-CB 3.32Å; A69-A74 WeakPolarHBondContact O-CB 3.33Å; A69-A74 PolarHBondContact O-N 2.92Å; A69-V77 HydrophobicContact CB-CG2 3.44Å; A69-V77 VanDerWaalsContact CB-CG2 3.44Å
70	R	91.6	Very high	90.7	Very high	147 Å²	147	51.5 Å²	51.5	56%	0.555	30%	0.297	S	S	*	.	H	α-helix	trans	-62	-38.2	174.2	-73.4	-178.4	-158.3	106.3	-5.5	112.3	M1 G66 S67 Q68 L72 G73	M1-R70 HydrophobicContact CE-CB 4.37Å; M1-R70 HydrophobicContact CE-CG 3.53Å; G66-R70 VanDerWaalsContact O-CG 3.28Å; G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.45Å; G66-R70 PolarHBondContact O-NH1 2.96Å; S67-R70 PolarHBondContact O-N 2.83Å; Q68-R70 PolarHBondContact O-N 2.87Å; R70-L72 PolarHBondContact O-N 2.83Å; R70-G73 PolarHBondContact O-N 3.03Å
71	A	91.9	Very high	90.4	Very high	89 Å²	89	51.5 Å²	51.5	74%	0.736	30%	0.298	S	S	*	.	H	α-helix	trans	-64.8	-29.6	178.5	0	0	0	0	0	112.6	S67 Q68 A69 G73	S67-A71 PolarHBondContact O-N 2.89Å; Q68-A71 WeakPolarHBondContact O-CB 3.14Å; Q68-A71 PolarHBondContact O-N 3.35Å; Q68-A71 VanDerWaalsContact O-N 3.14Å; A69-A71 VanDerWaalsContact C-N 3.32Å; A69-A71 PolarHBondContact O-N 3Å; A71-G73 VanDerWaalsContact C-N 3.27Å
72	L	88.6	Confident	90.2	Very high	82 Å²	82	54 Å²	54	43%	0.429	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.6	173.2	-62.7	170.6	0	0	0	113.3	C18 V21 Q68 A69 R70	C18-L72 HydrophobicContact CB-CB 3.78Å; C18-L72 WeakPolarHBondContact CB-O 3.33Å; V21-L72 HydrophobicContact CG1-CD1 3.62Å; Q68-L72 WeakPolarHBondContact O-CG 3.31Å; Q68-L72 PolarHBondContact O-N 2.72Å; Q68-L72 VanDerWaalsContact O-N 3.11Å; A69-L72 PolarHBondContact O-N 2.99Å; R70-L72 PolarHBondContact O-N 2.83Å
73	G	87.5	Confident	89.9	Confident	63 Å²	63	55.6 Å²	55.6	65%	0.649	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	9.3	-178.1	0	0	0	0	0	114.8	A69 R70 A71	A69-G73 PolarHBondContact O-N 2.89Å; R70-G73 PolarHBondContact O-N 3.03Å; A71-G73 VanDerWaalsContact C-N 3.27Å
74	A	88.7	Confident	89.5	Confident	18 Å²	18	53.6 Å²	53.6	15%	0.149	31%	0.309	C	S	.	.			trans	-78.1	146.7	177.8	0	0	0	0	0	112.1	M1 C18 A69	M1-A74 WeakPolarHBondContact CE-O 3.45Å; C18-A74 HydrophobicContact CB-CB 4Å; A69-A74 HydrophobicContact CB-CB 4.19Å; A69-A74 VanDerWaalsContact O-CB 3.32Å; A69-A74 WeakPolarHBondContact O-CB 3.33Å; A69-A74 PolarHBondContact O-N 2.92Å
75	D	89.6	Confident	88.9	Confident	119 Å²	119	54.9 Å²	54.9	64%	0.636	32%	0.315	S	S	*	.	S	Bend	trans	-104.5	-15.1	172.6	60.2	-10.3	0	0	0	113	M1 Q2	M1-D75 CarbonylContact C-O 3.59Å; M1-D75 WeakPolarHBondContact CA-O 3.32Å; M1-D75 VanDerWaalsContact SD-O 3.38Å; Q2-D75 PolarHBondContact N-O 3.21Å
76	A	89.2	Confident	88.2	Confident	23 Å²	23	59.3 Å²	59.3	19%	0.19	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.3	175	0	0	0	0	0	113.2	M1 Q2 L9	M1-A76 VanDerWaalsContact SD-CA 3.54Å; Q2-A76 HydrophobicContact CB-CB 3.95Å; Q2-A76 CarbonylContact O-C 3.51Å; Q2-A76 VanDerWaalsContact O-CA 3.27Å; Q2-A76 WeakPolarHBondContact O-CA 3.47Å; L9-A76 HydrophobicContact CD1-CB 3.81Å
77	V	89.7	Confident	87.3	Confident	10 Å²	10	61.3 Å²	61.3	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.6	165.6	-171.9	0	0	0	0	108	M1 Q2 F3 S4 V21 L65 A69 I80	M1-V77 HydrophobicContact SD-CG2 3.93Å; Q2-V77 PolarHBondContact O-N 3.33Å; F3-V77 CarbonylContact C-O 3.44Å; F3-V77 WeakPolarHBondContact CA-O 3.32Å; F3-V77 HydrophobicContact CD1-CB 3.94Å; F3-V77 HydrophobicContact CD1-CG2 4.1Å; F3-V77 HydrophobicContact CE1-CB 4.34Å; F3-V77 HydrophobicContact CE1-CG2 3.99Å; S4-V77 PolarHBondContact N-O 3.06Å; V21-V77 HydrophobicContact CG2-CG1 3.74Å; V21-V77 HydrophobicContact CG2-CG2 3.98Å; L65-V77 HydrophobicContact CD2-CG1 4.11Å; L65-V77 HydrophobicContact CG-CG1 4.42Å; A69-V77 HydrophobicContact CB-CG2 3.44Å; A69-V77 VanDerWaalsContact CB-CG2 3.44Å; V77-I80 HydrophobicContact CB-CD1 4.1Å; V77-I80 HydrophobicContact CB-CG1 4.31Å; V77-I80 HydrophobicContact CG1-CD1 4.05Å; V77-I80 HydrophobicContact CG1-CG1 3.73Å
78	V	88.2	Confident	86.2	Confident	41 Å²	41	60.1 Å²	60.1	25%	0.248	35%	0.352	C	S	.	.			trans	-121.6	157.5	-178.8	-66.1	0	0	0	0	110	S4 T6 L9 I14	S4-V78 CarbonylContact O-C 3.59Å; S4-V78 WeakPolarHBondContact O-CA 3.17Å; T6-V78 WeakPolarHBondContact O-CB 3.11Å; L9-V78 HydrophobicContact CD1-CG1 4.31Å; L9-V78 HydrophobicContact CG-CG1 3.94Å; I14-V78 HydrophobicContact CD1-CG2 4.12Å
79	G	83.4	Confident	84.7	Confident	18 Å²	18	65.7 Å²	65.7	19%	0.186	38%	0.378	C	S	.	.	S	Bend	trans	68	35.1	-176.9	0	0	0	0	0	113.4	S4 T6 G100 E101	S4-G79 PolarHBondContact O-N 3.42Å; T6-G79 PolarHBondContact O-N 3.21Å; G79-G100 WeakPolarHBondContact O-CA 3.47Å; G79-E101 PolarHBondContact O-N 3.29Å
80	I	89.9	Confident	83.5	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.036	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.9	179.6	-61.8	168.8	0	0	0	110.5	F3 S4 T5 F62 L65 V77 I82 V98	F3-I80 HydrophobicContact CB-CD1 3.53Å; F3-I80 HydrophobicContact CD1-CD1 3.67Å; F3-I80 HydrophobicContact CG-CD1 4.05Å; S4-I80 WeakPolarHBondContact O-CG1 3.45Å; S4-I80 PolarHBondContact O-N 3.11Å; T5-I80 WeakPolarHBondContact CA-O 3.22Å; T5-I80 WeakPolarHBondContact CG2-O 3.37Å; F62-I80 HydrophobicContact CE1-CD1 3.93Å; F62-I80 HydrophobicContact CE1-CG2 4.25Å; F62-I80 HydrophobicContact CZ-CG2 3.92Å; L65-I80 HydrophobicContact CD2-CD1 4.02Å; L65-I80 HydrophobicContact CD2-CG1 4.23Å; V77-I80 HydrophobicContact CB-CD1 4.1Å; V77-I80 HydrophobicContact CB-CG1 4.31Å; V77-I80 HydrophobicContact CG1-CD1 4.05Å; V77-I80 HydrophobicContact CG1-CG1 3.73Å; I80-I82 HydrophobicContact CG2-CG1 4.22Å; I80-V98 HydrophobicContact CG2-CG1 3.3Å
81	D	86.6	Confident	82.2	Confident	75 Å²	75	67.5 Å²	67.5	40%	0.401	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149	166.3	-165.3	77.6	0	0	0	110.5	V98 S99	D81-V98 WeakPolarHBondContact O-CA 3.49Å; D81-S99 PolarHBondContact N-O 2.83Å; D81-S99 PolarHBondContact O-N 2.88Å
82	I	89.3	Confident	81.1	Confident	54 Å²	54	65 Å²	65	28%	0.277	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.6	-175.8	-52.6	169.3	0	0	0	109	F62 I80 Y84 V96 S97 V98	F62-I82 HydrophobicContact CE2-CD1 3.71Å; F62-I82 HydrophobicContact CE2-CG1 4.04Å; F62-I82 HydrophobicContact CZ-CD1 3.78Å; F62-I82 HydrophobicContact CZ-CG1 4.16Å; I80-I82 HydrophobicContact CG2-CG1 4.22Å; I82-Y84 HydrophobicContact CG2-CE2 3.75Å; I82-V96 HydrophobicContact CG2-CG1 4.29Å; I82-S97 WeakPolarHBondContact CA-O 3.41Å; I82-V98 HydrophobicContact CG1-CG1 4.26Å; I82-V98 HydrophobicContact CG1-CG2 4.28Å; I82-V98 HydrophobicContact CG2-CG2 4.19Å
83	D	86.1	Confident	80.6	Confident	77 Å²	77	64 Å²	64	41%	0.412	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.3	-179.2	-74.3	-47.7	0	0	0	112.4	V96 S97	D83-V96 WeakPolarHBondContact O-CA 3.39Å; D83-S97 PolarHBondContact N-O 3.02Å; D83-S97 PolarHBondContact O-N 2.77Å
84	Y	85.2	Confident	80.1	Confident	91 Å²	91	61.6 Å²	61.6	36%	0.357	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.2	174.5	-58.4	-99.8	0	0	0	109.3	L54 R58 I82 M95 V96	L54-Y84 HydrophobicContact CD2-CD1 3.96Å; L54-Y84 HydrophobicContact CD2-CE1 3.98Å; R58-Y84 PolarHBondContact NH1-OH 2.93Å; I82-Y84 HydrophobicContact CG2-CE2 3.75Å; Y84-M95 CarbonylContact C-O 3.58Å; Y84-M95 WeakPolarHBondContact CA-O 3.41Å; Y84-V96 HydrophobicContact CD1-CB 4.39Å; Y84-V96 HydrophobicContact CD1-CG1 4.21Å; Y84-V96 HydrophobicContact CD1-CG2 3.61Å; Y84-V96 HydrophobicContact CE1-CB 4.38Å; Y84-V96 HydrophobicContact CE1-CG1 3.86Å; Y84-V96 HydrophobicContact CE1-CG2 3.67Å
85	E	80.3	Confident	79.7	Confident	105 Å²	105	62.4 Å²	62.4	49%	0.491	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.6	-177.5	-64.4	-168.3	158.1	0	0	111.8	M95	E85-M95 HydrophobicContact CB-CE 4.41Å; E85-M95 PolarHBondContact N-O 3.23Å; E85-M95 PolarHBondContact O-N 2.89Å
86	T	78.1	Confident	79.4	Confident	93 Å²	93	56.7 Å²	56.7	57%	0.571	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.7	172.5	55	0	0	0	0	110.6	F32 M93 L94	F32-T86 HydrophobicContact CZ-CG2 4.4Å; T86-M93 CarbonylContact C-O 3.5Å; T86-M93 VanDerWaalsContact CA-O 3.31Å; T86-M93 WeakPolarHBondContact CA-O 3.27Å; T86-L94 HydrophobicContact CG2-CD1 3.91Å
87	V	75.3	Confident	79.2	Confident	43 Å²	43	56.7 Å²	56.7	26%	0.261	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.8	-177.4	-65.4	0	0	0	0	111.9	S92 M93 M95	V87-S92 PolarHBondContact O-N 2.63Å; V87-M93 HydrophobicContact CG2-CB 3.83Å; V87-M93 HydrophobicContact CG2-CE 4.23Å; V87-M93 PolarHBondContact N-O 3Å; V87-M93 WeakPolarHBondContact O-CB 3.36Å; V87-M93 PolarHBondContact O-N 3.12Å; V87-M95 HydrophobicContact CG1-CB 4.39Å; V87-M95 HydrophobicContact CG2-CB 4.07Å
88	G	70	Confident	78.8	Confident	42 Å²	42	56.2 Å²	56.2	43%	0.433	31%	0.312	S	S	.	.	S	Bend	trans	96.9	162.1	179.4	0	0	0	0	0	115.1	N90 G91	G88-N90 PolarHBondContact O-N 2.83Å; G88-N90 VanDerWaalsContact O-N 3.11Å; G88-G91 PolarHBondContact O-N 3.47Å
89	Q	59.4	Low	78.1	Confident	180 Å²	180	55.8 Å²	55.8	84%	0.841	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	118.8	175.8	-72.2	-178.4	-7.2	0	0	108.7	S92	Q89-S92 PolarHBondContact O-OG 2.66Å; Q89-S92 VanDerWaalsContact O-OG 3.13Å
90	N	65.7	Low	77.2	Confident	170 Å²	170	55.4 Å²	55.4	91%	0.909	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	20.5	-172.8	-51.8	-19	0	0	0	116.8	G88 S92	G88-N90 PolarHBondContact O-N 2.83Å; G88-N90 VanDerWaalsContact O-N 3.11Å; N90-S92 VanDerWaalsContact C-N 3.28Å; N90-S92 PolarHBondContact O-N 3.4Å
91	G	64	Low	75.5	Confident	18 Å²	18	60.3 Å²	60.3	19%	0.186	33%	0.33	C	S	.	.	S	Bend	trans	65.1	34.2	178.7	0	0	0	0	0	112.5	F32 G88 M93	F32-G91 WeakPolarHBondContact CE1-O 3.31Å; F32-G91 VanDerWaalsContact CZ-O 3.27Å; F32-G91 WeakPolarHBondContact CZ-O 3.32Å; G88-G91 PolarHBondContact O-N 3.47Å; G91-M93 PolarHBondContact O-N 3.33Å
92	S	68.9	Low	74.4	Confident	37 Å²	37	61.5 Å²	61.5	26%	0.259	33%	0.331	S	S	.	.			trans	-76.6	-5.6	-171.2	48.2	0	0	0	0	114.3	A29 F32 V87 Q89 N90	A29-S92 WeakPolarHBondContact CA-O 3.46Å; A29-S92 WeakPolarHBondContact CB-O 3.35Å; F32-S92 WeakPolarHBondContact CB-O 3.44Å; V87-S92 PolarHBondContact O-N 2.63Å; Q89-S92 PolarHBondContact O-OG 2.66Å; Q89-S92 VanDerWaalsContact O-OG 3.13Å; N90-S92 VanDerWaalsContact C-N 3.28Å; N90-S92 PolarHBondContact O-N 3.4Å
93	M	76.6	Confident	73.2	Confident	61 Å²	61	59.9 Å²	59.9	30%	0.3	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.7	178.2	-61.5	179.8	-65	0	0	109.8	I26 L27 T86 V87 G91	I26-M93 HydrophobicContact CG2-CB 3.99Å; I26-M93 HydrophobicContact CG2-CG 4.38Å; I26-M93 HydrophobicContact CG2-SD 4Å; L27-M93 WeakPolarHBondContact O-CA 3.35Å; T86-M93 CarbonylContact C-O 3.5Å; T86-M93 VanDerWaalsContact CA-O 3.31Å; T86-M93 WeakPolarHBondContact CA-O 3.27Å; V87-M93 HydrophobicContact CG2-CB 3.83Å; V87-M93 HydrophobicContact CG2-CE 4.23Å; V87-M93 PolarHBondContact N-O 3Å; V87-M93 WeakPolarHBondContact O-CB 3.36Å; V87-M93 PolarHBondContact O-N 3.12Å; G91-M93 PolarHBondContact O-N 3.33Å
94	L	77	Confident	72.5	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.2	171.9	-173.9	75.2	0	0	0	108.7	L27 F32 L54 T86	L27-L94 HydrophobicContact CB-CB 4.33Å; L27-L94 HydrophobicContact CD1-CB 4.28Å; L27-L94 HydrophobicContact CD1-CD2 4.04Å; L27-L94 PolarHBondContact N-O 2.9Å; L27-L94 PolarHBondContact O-N 3.34Å; F32-L94 HydrophobicContact CD2-CB 4.29Å; F32-L94 HydrophobicContact CE2-CB 4.17Å; L54-L94 HydrophobicContact CD2-CD2 3.28Å; T86-L94 HydrophobicContact CG2-CD1 3.91Å
95	M	81.9	Confident	71.8	Confident	34 Å²	34	56 Å²	56	17%	0.167	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.2	174.5	-173.6	172.5	74.7	0	0	109	A25 I26 Y84 E85 V87	A25-M95 CarbonylContact O-C 3.41Å; A25-M95 WeakPolarHBondContact O-CA 3.42Å; I26-M95 HydrophobicContact CG1-CG 4.24Å; Y84-M95 CarbonylContact C-O 3.58Å; Y84-M95 WeakPolarHBondContact CA-O 3.41Å; E85-M95 HydrophobicContact CB-CE 4.41Å; E85-M95 PolarHBondContact N-O 3.23Å; E85-M95 PolarHBondContact O-N 2.89Å; V87-M95 HydrophobicContact CG1-CB 4.39Å; V87-M95 HydrophobicContact CG2-CB 4.07Å
96	V	83.7	Confident	71.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.4	166.7	-174.2	0	0	0	0	106.7	E24 A25 A57 R58 I82 D83 Y84	E24-V96 CarbonylContact C-O 3.58Å; E24-V96 WeakPolarHBondContact CA-O 3.32Å; A25-V96 PolarHBondContact N-O 3.19Å; A25-V96 PolarHBondContact O-N 3Å; A57-V96 HydrophobicContact CB-CB 4.29Å; A57-V96 HydrophobicContact CB-CG2 3.56Å; R58-V96 HydrophobicContact CB-CG1 4.46Å; I82-V96 HydrophobicContact CG2-CG1 4.29Å; D83-V96 WeakPolarHBondContact O-CA 3.39Å; Y84-V96 HydrophobicContact CD1-CB 4.39Å; Y84-V96 HydrophobicContact CD1-CG1 4.21Å; Y84-V96 HydrophobicContact CD1-CG2 3.61Å; Y84-V96 HydrophobicContact CE1-CB 4.38Å; Y84-V96 HydrophobicContact CE1-CG1 3.86Å; Y84-V96 HydrophobicContact CE1-CG2 3.67Å
97	S	83	Confident	71.7	Confident	23 Å²	23	56.8 Å²	56.8	16%	0.161	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136	173.7	-177	0	0	0	0	108.9	I82 D83	I82-S97 WeakPolarHBondContact CA-O 3.41Å; D83-S97 PolarHBondContact N-O 3.02Å; D83-S97 PolarHBondContact O-N 2.77Å
98	V	81.7	Confident	72.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.6	171.9	-174.4	0	0	0	0	106.3	T22 G23 A61 F62 L65 I80 D81 I82	T22-V98 CarbonylContact C-O 3.58Å; T22-V98 WeakPolarHBondContact CA-O 3.4Å; G23-V98 PolarHBondContact N-O 3.22Å; G23-V98 PolarHBondContact O-N 3.05Å; A61-V98 HydrophobicContact CB-CB 4.33Å; A61-V98 HydrophobicContact CB-CG2 3.61Å; F62-V98 HydrophobicContact CD2-CG1 4.25Å; F62-V98 HydrophobicContact CD2-CG2 3.87Å; F62-V98 HydrophobicContact CE1-CG1 4.44Å; F62-V98 HydrophobicContact CE2-CB 4.44Å; F62-V98 HydrophobicContact CE2-CG1 3.82Å; F62-V98 HydrophobicContact CE2-CG2 3.74Å; F62-V98 HydrophobicContact CZ-CG1 3.94Å; L65-V98 HydrophobicContact CD1-CG1 4.42Å; L65-V98 HydrophobicContact CD2-CG1 3.71Å; I80-V98 HydrophobicContact CG2-CG1 3.3Å; D81-V98 WeakPolarHBondContact O-CA 3.49Å; I82-V98 HydrophobicContact CG1-CG1 4.26Å; I82-V98 HydrophobicContact CG1-CG2 4.28Å; I82-V98 HydrophobicContact CG2-CG2 4.19Å
99	S	74.6	Confident	73.4	Confident	31 Å²	31	66.1 Å²	66.1	22%	0.217	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.7	-178.6	77.9	0	0	0	0	110.3	D81	D81-S99 PolarHBondContact N-O 2.83Å; D81-S99 PolarHBondContact O-N 2.88Å
100	G	63.1	Low	74.8	Confident	10 Å²	10	63.9 Å²	63.9	10%	0.103	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	95.8	167.5	0	0	0	0	0	109.6	V21 G79 K102	V21-G100 PolarHBondContact O-N 3.23Å; G79-G100 WeakPolarHBondContact O-CA 3.47Å; G100-K102 PolarHBondContact O-N 3.22Å
101	E	55.2	Low	75.5	Confident	111 Å²	111	61.3 Å²	61.3	52%	0.519	33%	0.33	S	S	.	.			trans	-79.5	105.5	174.9	-155.5	-177.6	-168.9	0	0	110.2	G79 G103	G79-E101 PolarHBondContact O-N 3.29Å; E101-G103 PolarHBondContact O-N 3.22Å
102	K	62.8	Low	76	Confident	100 Å²	100	63.9 Å²	63.9	44%	0.435	34%	0.339	S	S	.	.			trans	-76	109.9	-173.4	-176.6	-179.2	179.1	178.2	0	111.3	Y17 G100 I104 R115	Y17-K102 HydrophobicContact CD1-CD 4.47Å; G100-K102 PolarHBondContact O-N 3.22Å; K102-I104 PolarHBondContact O-N 2.72Å; K102-R115 VanDerWaalsContact O-CD 3.27Å; K102-R115 WeakPolarHBondContact O-CD 3.15Å; K102-R115 WeakPolarHBondContact O-CG 3.34Å
103	G	64	Low	76.7	Confident	20 Å²	20	66.5 Å²	66.5	21%	0.206	35%	0.35	C	S	.	.	S	Bend	trans	77	14.9	158.4	0	0	0	0	0	115.6	E101 T114	E101-G103 PolarHBondContact O-N 3.22Å; G103-T114 VanDerWaalsContact CA-OG1 3.25Å; G103-T114 WeakPolarHBondContact CA-OG1 3.45Å; G103-T114 PolarHBondContact O-N 3.2Å; G103-T114 PolarHBondContact O-OG1 3.03Å
104	I	70.9	Confident	76.8	Confident	28 Å²	28	66.7 Å²	66.7	14%	0.144	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.5	164.2	-60.9	-54.8	0	0	0	108.8	K102 Q111 L112 D113 R115	K102-I104 PolarHBondContact O-N 2.72Å; I104-Q111 HydrophobicContact CG2-CB 4.1Å; I104-Q111 HydrophobicContact CG2-CG 4.07Å; I104-L112 CarbonylContact C-O 3.6Å; I104-L112 WeakPolarHBondContact CA-O 3.34Å; I104-D113 HydrophobicContact CD1-CB 3.68Å; I104-R115 VanDerWaalsContact CD1-NH2 3.25Å
105	V	70.5	Confident	76.8	Confident	57 Å²	57	72.6 Å²	72.6	35%	0.345	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.2	174.8	-177.2	0	0	0	0	108.6	L112 T114	V105-L112 HydrophobicContact CB-CB 4.16Å; V105-L112 PolarHBondContact N-O 2.7Å; V105-L112 PolarHBondContact O-N 2.74Å; V105-T114 HydrophobicContact CG2-CG2 4.24Å
106	E	75.9	Confident	76.6	Confident	118 Å²	118	81.8 Å²	81.8	55%	0.551	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	138.5	173.9	-69	-65.3	167.7	0	0	111.8	Q111	E106-Q111 WeakPolarHBondContact OE1-CG 3.27Å; E106-Q111 PolarHBondContact OE1-NE2 3.39Å; E106-Q111 WeakPolarHBondContact OE2-CG 3.34Å
107	K	81.9	Confident	76.6	Confident	98 Å²	98	89.8 Å²	89.8	43%	0.426	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160.3	172.5	-62.8	-68	-179.8	-171.4	0	109.3	G109 Y110 L112	K107-G109 PolarHBondContact O-N 2.63Å; K107-Y110 CarbonylContact C-O 3.53Å; K107-Y110 WeakPolarHBondContact CA-O 3.23Å; K107-Y110 HydrophobicContact CB-CD1 3.82Å; K107-Y110 HydrophobicContact CB-CD2 4.04Å; K107-Y110 HydrophobicContact CB-CE1 3.48Å; K107-Y110 VanDerWaalsContact CB-CE1 3.48Å; K107-Y110 HydrophobicContact CB-CE2 3.73Å; K107-Y110 HydrophobicContact CB-CG 4.08Å; K107-Y110 VanDerWaalsContact CB-CZ 3.44Å; K107-Y110 VanDerWaalsContact CB-O 3.31Å; K107-Y110 WeakPolarHBondContact CB-O 3.25Å; K107-Y110 HydrophobicContact CG-CD2 4.28Å; K107-Y110 HydrophobicContact CG-CE1 4.15Å; K107-Y110 HydrophobicContact CG-CE2 3.64Å; K107-Y110 PolarHBondContact N-O 2.76Å; K107-Y110 PolarHBondContact O-N 3.4Å; K107-L112 HydrophobicContact CG-CD1 4.17Å; K107-L112 HydrophobicContact CG-CG 4.35Å
108	E	89.1	Confident	76.8	Confident	196 Å²	196	92.4 Å²	92.4	92%	0.916	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	109.1	174.2	-169.2	179.3	179.1	0	0	109.7	Y110	E108-Y110 WeakPolarHBondContact O-CD1 3.24Å
109	G	91.6	Very high	77	Confident	85 Å²	85	101.8 Å²	101.8	88%	0.876	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-1.4	177.8	0	0	0	0	0	116.5	K107	K107-G109 PolarHBondContact O-N 2.63Å
110	Y	89.3	Confident	77.8	Confident	133 Å²	133	104 Å²	104	52%	0.522	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	166.8	178.2	67.1	-79	0	0	0	113	K107 E108 L112	K107-Y110 CarbonylContact C-O 3.53Å; K107-Y110 WeakPolarHBondContact CA-O 3.23Å; K107-Y110 HydrophobicContact CB-CD1 3.82Å; K107-Y110 HydrophobicContact CB-CD2 4.04Å; K107-Y110 HydrophobicContact CB-CE1 3.48Å; K107-Y110 VanDerWaalsContact CB-CE1 3.48Å; K107-Y110 HydrophobicContact CB-CE2 3.73Å; K107-Y110 HydrophobicContact CB-CG 4.08Å; K107-Y110 VanDerWaalsContact CB-CZ 3.44Å; K107-Y110 VanDerWaalsContact CB-O 3.31Å; K107-Y110 WeakPolarHBondContact CB-O 3.25Å; K107-Y110 HydrophobicContact CG-CD2 4.28Å; K107-Y110 HydrophobicContact CG-CE1 4.15Å; K107-Y110 HydrophobicContact CG-CE2 3.64Å; K107-Y110 PolarHBondContact N-O 2.76Å; K107-Y110 PolarHBondContact O-N 3.4Å; E108-Y110 WeakPolarHBondContact O-CD1 3.24Å; Y110-L112 HydrophobicContact CD2-CD2 4.2Å; Y110-L112 HydrophobicContact CD2-CG 4.32Å; Y110-L112 HydrophobicContact CE2-CD1 4.4Å; Y110-L112 HydrophobicContact CE2-CD2 3.71Å; Y110-L112 HydrophobicContact CE2-CG 3.82Å
111	Q	79	Confident	79.1	Confident	116 Å²	116	107.1 Å²	107.1	54%	0.542	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	150	172.3	-75.5	171.7	-5.1	0	0	110.7	I104 E106	I104-Q111 HydrophobicContact CG2-CB 4.1Å; I104-Q111 HydrophobicContact CG2-CG 4.07Å; E106-Q111 WeakPolarHBondContact OE1-CG 3.27Å; E106-Q111 PolarHBondContact OE1-NE2 3.39Å; E106-Q111 WeakPolarHBondContact OE2-CG 3.34Å
112	L	74.6	Confident	80.9	Confident	72 Å²	72	110.8 Å²	110.8	38%	0.377	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	119.3	171.1	-64.9	170.8	0	0	0	110.6	I104 V105 K107 Y110 T114	I104-L112 CarbonylContact C-O 3.6Å; I104-L112 WeakPolarHBondContact CA-O 3.34Å; V105-L112 HydrophobicContact CB-CB 4.16Å; V105-L112 PolarHBondContact N-O 2.7Å; V105-L112 PolarHBondContact O-N 2.74Å; K107-L112 HydrophobicContact CG-CD1 4.17Å; K107-L112 HydrophobicContact CG-CG 4.35Å; Y110-L112 HydrophobicContact CD2-CD2 4.2Å; Y110-L112 HydrophobicContact CD2-CG 4.32Å; Y110-L112 HydrophobicContact CE2-CD1 4.4Å; Y110-L112 HydrophobicContact CE2-CD2 3.71Å; Y110-L112 HydrophobicContact CE2-CG 3.82Å; L112-T114 HydrophobicContact CB-CG2 4.45Å
113	D	83.4	Confident	82.4	Confident	91 Å²	91	108.3 Å²	108.3	49%	0.487	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.1	106.2	169.2	-169	-24	0	0	0	110.8	I104 R115	I104-D113 HydrophobicContact CD1-CB 3.68Å; D113-R115 VanDerWaalsContact CG-NE 3.27Å; D113-R115 WeakPolarHBondContact OD1-CB 3.44Å; D113-R115 VanDerWaalsContact OD1-CG 3.23Å; D113-R115 WeakPolarHBondContact OD1-CG 3.31Å; D113-R115 IonicContact OD1-CZ 2.72Å; D113-R115 PolarHBondContact OD1-N 2.93Å; D113-R115 IonicContact OD1-NE 2.7Å; D113-R115 PolarHBondContact OD1-NE 2.96Å; D113-R115 IonicContact OD1-NH2 3.24Å; D113-R115 IonicContact OD2-CZ 3.63Å; D113-R115 VanDerWaalsContact OD2-CZ 3.24Å; D113-R115 IonicContact OD2-NE 3.86Å; D113-R115 PolarHBondContact OD2-NE 2.86Å; D113-R115 IonicContact OD2-NH2 3.85Å; D113-R115 PolarHBondContact OD2-NH2 2.88Å
114	T	80.1	Confident	84	Confident	66 Å²	66	117.7 Å²	117.7	41%	0.405	59%	0.593	S	S	.	*			trans	-98.1	8.2	-178.2	64.1	0	0	0	0	113.1	G103 V105 L112 R116	G103-T114 VanDerWaalsContact CA-OG1 3.25Å; G103-T114 WeakPolarHBondContact CA-OG1 3.45Å; G103-T114 PolarHBondContact O-N 3.2Å; G103-T114 PolarHBondContact O-OG1 3.03Å; V105-T114 HydrophobicContact CG2-CG2 4.24Å; L112-T114 HydrophobicContact CB-CG2 4.45Å; T114-R116 PolarHBondContact O-N 3Å
115	R	76.2	Confident	85.3	Confident	135 Å²	135	117.1 Å²	117.1	51%	0.509	59%	0.589	S	S	.	*	S	Bend	trans	-69.8	-18.4	-176.1	-63.6	176	-85.3	-155	0.4	113.5	K102 I104 D113	K102-R115 VanDerWaalsContact O-CD 3.27Å; K102-R115 WeakPolarHBondContact O-CD 3.15Å; K102-R115 WeakPolarHBondContact O-CG 3.34Å; I104-R115 VanDerWaalsContact CD1-NH2 3.25Å; D113-R115 VanDerWaalsContact CG-NE 3.27Å; D113-R115 WeakPolarHBondContact OD1-CB 3.44Å; D113-R115 VanDerWaalsContact OD1-CG 3.23Å; D113-R115 WeakPolarHBondContact OD1-CG 3.31Å; D113-R115 IonicContact OD1-CZ 2.72Å; D113-R115 PolarHBondContact OD1-N 2.93Å; D113-R115 IonicContact OD1-NE 2.7Å; D113-R115 PolarHBondContact OD1-NE 2.96Å; D113-R115 IonicContact OD1-NH2 3.24Å; D113-R115 IonicContact OD2-CZ 3.63Å; D113-R115 VanDerWaalsContact OD2-CZ 3.24Å; D113-R115 IonicContact OD2-NE 3.86Å; D113-R115 PolarHBondContact OD2-NE 2.86Å; D113-R115 IonicContact OD2-NH2 3.85Å; D113-R115 PolarHBondContact OD2-NH2 2.88Å
116	R	78.5	Confident	86.7	Confident	228 Å²	228	120 Å²	120	86%	0.86	60%	0.597	S	S	*	*	S	Bend	trans	-118.4	98.8	-178.6	-62.1	-63.2	-61.9	-81.4	-1.3	110.6	T114	T114-R116 PolarHBondContact O-N 3Å
117	Q	83.6	Confident	87.7	Confident	167 Å²	167	114.6 Å²	114.6	78%	0.78	57%	0.573	S	S	*	*			trans	-89.8	136.2	179.2	-61.3	177.3	19.4	0	0	111
118	A	86	Confident	88.5	Confident	79 Å²	79	110 Å²	110	65%	0.653	55%	0.552	S	S	*	*			trans	-74.7	141.7	177.8	0	0	0	0	0	111	A120	A118-A120 VanDerWaalsContact C-N 3.3Å; A118-A120 PolarHBondContact O-N 3.3Å
119	Q	86.7	Confident	89	Confident	197 Å²	197	100.6 Å²	100.6	92%	0.921	51%	0.509	S	S	*	.	S	Bend	trans	-67.9	-31.2	174.2	-65.4	-178.8	45.9	0	0	112.2	A121	Q119-A121 VanDerWaalsContact C-N 3.29Å; Q119-A121 PolarHBondContact O-N 2.97Å; Q119-A121 VanDerWaalsContact O-N 3.11Å
120	A	92.6	Very high	89.4	Confident	77 Å²	77	96.7 Å²	96.7	64%	0.636	47%	0.468	S	S	*	.			trans	-88	59.8	-178.3	0	0	0	0	0	112	A118 Y122	A118-A120 VanDerWaalsContact C-N 3.3Å; A118-A120 PolarHBondContact O-N 3.3Å; A120-Y122 HydrophobicContact CB-CE2 4.19Å
121	A	90	Very high	89.8	Confident	75 Å²	75	90.3 Å²	90.3	62%	0.62	44%	0.443	S	S	*	.			trans	-120.2	120.8	175	0	0	0	0	0	109.6	Q119	Q119-A121 VanDerWaalsContact C-N 3.29Å; Q119-A121 PolarHBondContact O-N 2.97Å; Q119-A121 VanDerWaalsContact O-N 3.11Å
122	Y	92.2	Very high	90.7	Very high	188 Å²	188	86 Å²	86	74%	0.737	42%	0.421	S	S	*	.			trans	-133.4	155.7	-172.9	-54.9	-76.3	0	0	0	111.4	A120	A120-Y122 HydrophobicContact CB-CE2 4.19Å
123	P	95.3	Very high	91.8	Very high	49 Å²	49	83.9 Å²	83.9	32%	0.318	41%	0.412	S	S	.	.			trans	-54.1	141.9	172.3	-30.6	39.1	0	0	0	113.9	I125 Y237	P123-I125 WeakPolarHBondContact CB-O 3.42Å; P123-Y237 HydrophobicContact CB-CD1 4.01Å; P123-Y237 HydrophobicContact CG-CD1 4.46Å
124	R	97.2	Very high	92.5	Very high	217 Å²	217	82.2 Å²	82.2	82%	0.819	41%	0.41	S	S	*	.	S	Bend	trans	-71.8	-39.8	168.3	-66	-176.9	-178.1	-84.2	-0.7	111.1	T195	R124-T195 WeakPolarHBondContact O-CB 3.16Å
125	I	98.5	Very high	93.3	Very high	15 Å²	15	82.6 Å²	82.6	8%	0.077	41%	0.41	C	S	.	.			trans	-74.6	129.7	175	-62.3	165.4	0	0	0	109.5	P123 E174 T195 I197 Y237 I239	P123-I125 WeakPolarHBondContact CB-O 3.42Å; I125-E174 HydrophobicContact CD1-CB 4.21Å; I125-E174 WeakPolarHBondContact CD1-O 3.33Å; I125-T195 WeakPolarHBondContact CA-O 3.44Å; I125-I197 HydrophobicContact CD1-CD1 3.68Å; I125-I197 HydrophobicContact CD1-CG1 3.8Å; I125-I197 HydrophobicContact CG1-CG1 4.45Å; I125-I197 HydrophobicContact CG2-CD1 4.04Å; I125-I197 HydrophobicContact CG2-CG1 4Å; I125-Y237 HydrophobicContact CB-CD1 4.03Å; I125-Y237 HydrophobicContact CB-CD2 4.34Å; I125-Y237 HydrophobicContact CB-CE1 4.31Å; I125-Y237 HydrophobicContact CB-CG 4.01Å; I125-Y237 HydrophobicContact CD1-CD1 4.24Å; I125-Y237 HydrophobicContact CD1-CD2 4.26Å; I125-Y237 HydrophobicContact CD1-CE1 3.68Å; I125-Y237 HydrophobicContact CD1-CE2 3.75Å; I125-Y237 HydrophobicContact CD1-CG 4.48Å; I125-Y237 HydrophobicContact CG1-CE1 4.46Å; I125-Y237 HydrophobicContact CG2-CD2 4.08Å; I125-Y237 HydrophobicContact CG2-CG 4.1Å; I125-I239 HydrophobicContact CG2-CD1 4.27Å
126	K	98.3	Very high	94.3	Very high	117 Å²	117	79.8 Å²	79.8	51%	0.509	41%	0.405	S	S	.	.			trans	-134.9	-13.4	-177	-62.2	177.5	-174.3	176.4	0	113.5	T195 N243	K126-T195 PolarHBondContact N-O 3.27Å; K126-N243 WeakPolarHBondContact O-CB 3.27Å; K126-N243 PolarHBondContact O-ND2 2.63Å
127	V	98.7	Very high	95.2	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.8	-171.3	-177.1	0	0	0	0	110.3	V129 L192 T195 S196 I197 N243 V245	V127-V129 HydrophobicContact CG1-CG2 3.91Å; V127-L192 HydrophobicContact CB-CD1 4.39Å; V127-L192 HydrophobicContact CG1-CD1 4.44Å; V127-L192 HydrophobicContact CG2-CD1 3.96Å; V127-T195 PolarHBondContact N-O 2.89Å; V127-S196 CarbonylContact O-C 3.46Å; V127-S196 WeakPolarHBondContact O-CA 3.35Å; V127-S196 WeakPolarHBondContact O-CB 3.48Å; V127-I197 PolarHBondContact O-N 2.86Å; V127-N243 CarbonylContact C-O 3.08Å; V127-N243 WeakPolarHBondContact CA-O 3.27Å; V127-N243 WeakPolarHBondContact CG1-O 3.5Å; V127-N243 HydrophobicContact CG2-CB 4.18Å; V127-V245 HydrophobicContact CG1-CG2 3.69Å
128	L	98.9	Very high	95.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.1	171.7	179.1	58.2	0	0	0	108.3	I130 I197 I199 A230 I233 I234 I239 N243 V244 V245	L128-I130 HydrophobicContact CD2-CD1 4.47Å; L128-I130 HydrophobicContact CG-CD1 4.14Å; L128-I197 HydrophobicContact CD1-CB 4.01Å; L128-I197 HydrophobicContact CD1-CG2 3.74Å; L128-I199 HydrophobicContact CD1-CD1 3.73Å; L128-I199 HydrophobicContact CD1-CG1 3.86Å; L128-I199 HydrophobicContact CD2-CD1 4.36Å; L128-I199 HydrophobicContact CG-CD1 4.46Å; L128-A230 HydrophobicContact CD2-CB 4.09Å; L128-I233 HydrophobicContact CD1-CD1 4.28Å; L128-I233 HydrophobicContact CD1-CG2 4.31Å; L128-I233 HydrophobicContact CD2-CG2 4.46Å; L128-I234 HydrophobicContact CD2-CG1 4.45Å; L128-I239 HydrophobicContact CB-CD1 4.12Å; L128-N243 PolarHBondContact N-O 2.85Å; L128-V244 HydrophobicContact CB-CG1 4.34Å; L128-V244 HydrophobicContact CB-CG2 4.43Å; L128-V244 HydrophobicContact CD2-CG1 4.16Å; L128-V244 HydrophobicContact CG-CG1 4.33Å; L128-V244 WeakPolarHBondContact O-CA 3.45Å; L128-V245 PolarHBondContact O-N 3.27Å
129	V	98.8	Very high	96.4	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.5	-177.3	-169.3	0	0	0	0	109.5	V127 H131 I197 I199 V245 H247 I250	V127-V129 HydrophobicContact CG1-CG2 3.91Å; V129-H131 VanDerWaalsContact CG1-NE2 3.27Å; V129-H131 WeakPolarHBondContact CG1-NE2 3.38Å; V129-H131 PolarHBondContact O-CD2 3.03Å; V129-I197 PolarHBondContact N-O 2.87Å; V129-I199 PolarHBondContact O-N 3.18Å; V129-V245 WeakPolarHBondContact CA-O 3.46Å; V129-V245 HydrophobicContact CB-CG2 4.4Å; V129-V245 HydrophobicContact CG1-CG2 4.41Å; V129-V245 HydrophobicContact CG2-CG2 3.95Å; V129-H247 HydrophobicContact CG1-CB 4.24Å; V129-I250 HydrophobicContact CB-CD1 4.5Å; V129-I250 HydrophobicContact CG1-CD1 3.78Å; V129-I250 HydrophobicContact CG2-CD1 3.87Å
130	I	98.9	Very high	96.9	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.3	178.1	-49.4	-57.3	0	0	0	109.8	L128 I199 L201 V245 H247 P258 F262 W264	L128-I130 HydrophobicContact CD2-CD1 4.47Å; L128-I130 HydrophobicContact CG-CD1 4.14Å; I130-I199 HydrophobicContact CD1-CB 4.17Å; I130-I199 HydrophobicContact CD1-CD1 4.22Å; I130-L201 HydrophobicContact CG2-CD1 3.63Å; I130-L201 HydrophobicContact CG2-CG 4.24Å; I130-V245 PolarHBondContact N-O 2.96Å; I130-H247 PolarHBondContact O-N 3.03Å; I130-P258 HydrophobicContact CB-CG 4.23Å; I130-P258 HydrophobicContact CG2-CB 4.02Å; I130-P258 HydrophobicContact CG2-CG 3.97Å; I130-P258 WeakPolarHBondContact O-CD 3.06Å; I130-F262 HydrophobicContact CG1-CZ 4.49Å; I130-F262 HydrophobicContact CG2-CD2 4.42Å; I130-F262 HydrophobicContact CG2-CE1 4.44Å; I130-F262 HydrophobicContact CG2-CE2 3.87Å; I130-F262 HydrophobicContact CG2-CZ 3.86Å; I130-W264 HydrophobicContact CB-CH2 4.28Å; I130-W264 HydrophobicContact CG1-CH2 3.91Å
131	H	98.8	Very high	97.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	166.5	-178.2	-53.1	-98.7	0	0	0	110.3	V129 H180 I199 E200 L201 H247 D257	V129-H131 VanDerWaalsContact CG1-NE2 3.27Å; V129-H131 WeakPolarHBondContact CG1-NE2 3.38Å; V129-H131 PolarHBondContact O-CD2 3.03Å; H131-H180 AromaticContact CE1-ND1 3.46Å; H131-H180 PolarHBondContact CE1-ND1 3.39Å; H131-H180 AromaticContact NE2-CE1 3.96Å; H131-H180 AromaticContact NE2-CG 3.71Å; H131-H180 AromaticContact NE2-ND1 3.02Å; H131-H180 PolarHBondContact NE2-ND1 3.06Å; H131-I199 PolarHBondContact CD2-O 3.43Å; H131-I199 PolarHBondContact N-O 2.83Å; H131-E200 HydrophobicContact CB-CG 4.21Å; H131-E200 WeakPolarHBondContact CB-OE1 3.46Å; H131-E200 WeakPolarHBondContact CB-OE2 3.43Å; H131-E200 IonicContact CG-OE1 3.68Å; H131-L201 WeakPolarHBondContact O-CB 3.5Å; H131-L201 WeakPolarHBondContact O-CG 3.35Å; H131-L201 PolarHBondContact O-N 2.95Å; H131-H247 AromaticContact CE1-CE1 3.63Å; H131-H247 AromaticContact CE1-CG 3.56Å; H131-H247 AromaticContact CE1-ND1 3.29Å; H131-H247 PolarHBondContact CE1-ND1 3.13Å; H131-H247 VanDerWaalsContact CE1-ND1 3.29Å; H131-H247 AromaticContact ND1-CE1 3.53Å; H131-H247 AromaticContact ND1-CG 3.42Å; H131-H247 AromaticContact ND1-ND1 2.87Å; H131-H247 PolarHBondContact ND1-ND1 3.15Å; H131-D257 WeakPolarHBondContact CA-OD2 3.1Å; H131-D257 WeakPolarHBondContact CB-OD2 3.32Å; H131-D257 IonicContact CG-OD2 2.94Å; H131-D257 IonicContact ND1-OD2 3.59Å; H131-D257 PolarHBondContact ND1-OD2 3.1Å
132	Y	98.5	Very high	97.6	Very high	24 Å²	24	54.9 Å²	54.9	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.6	156.6	59	-124.9	0	0	0	109.3	A134 L201 F215 D257 P258	Y132-A134 HydrophobicContact CD2-CB 3.95Å; Y132-A134 HydrophobicContact CE2-CB 3.97Å; Y132-L201 VanDerWaalsContact CA-O 3.3Å; Y132-L201 WeakPolarHBondContact CA-O 3.42Å; Y132-F215 HydrophobicContact CE1-CD1 4.42Å; Y132-F215 HydrophobicContact CE1-CE1 4.29Å; Y132-D257 HydrophobicContact CD1-CB 3.53Å; Y132-D257 HydrophobicContact CD2-CB 3.91Å; Y132-D257 VanDerWaalsContact CE1-CA 3.43Å; Y132-D257 HydrophobicContact CE1-CB 3.49Å; Y132-D257 VanDerWaalsContact CE1-CB 3.49Å; Y132-D257 HydrophobicContact CE2-CB 3.84Å; Y132-D257 HydrophobicContact CG-CB 3.7Å; Y132-P258 WeakPolarHBondContact CD1-O 3.49Å
133	T	97.7	Very high	97.8	Very high	28 Å²	28	49.5 Å²	49.5	17%	0.172	27%	0.266	C	S	.	.			trans	-78.3	-28.2	-179	60.5	0	0	0	0	113.7	D135 S140 L154 E200 L201 E202 N203	T133-D135 PolarHBondContact O-N 2.83Å; T133-D135 PolarHBondContact OG1-N 3.48Å; T133-D135 PolarHBondContact OG1-O 3.28Å; T133-S140 WeakPolarHBondContact CB-OG 3.4Å; T133-S140 WeakPolarHBondContact CG2-OG 3.49Å; T133-S140 PolarHBondContact OG1-OG 2.96Å; T133-L154 HydrophobicContact CG2-CD1 3.72Å; T133-E200 HydrophobicContact CG2-CB 4.04Å; T133-E200 PolarHBondContact N-OE2 3.25Å; T133-L201 PolarHBondContact N-O 3.5Å; T133-E202 WeakPolarHBondContact OG1-CA 3.39Å; T133-N203 PolarHBondContact OG1-N 2.99Å
134	A	97.4	Very high	97.9	Very high	56 Å²	56	47.6 Å²	47.6	46%	0.463	25%	0.253	S	S	.	.	S	Bend	trans	58.3	20.5	-168	0	0	0	0	0	114.4	Y132 N203	Y132-A134 HydrophobicContact CD2-CB 3.95Å; Y132-A134 HydrophobicContact CE2-CB 3.97Å; A134-N203 WeakPolarHBondContact CA-O 3.39Å; A134-N203 PolarHBondContact N-O 2.86Å
135	D	95.6	Very high	97.9	Very high	74 Å²	74	41.5 Å²	41.5	40%	0.396	24%	0.24	S	C	.	.	S	Bend	trans	-149.2	170.1	-175.8	-148.3	-16.4	0	0	0	111.4	T133 S139 S140	T133-D135 PolarHBondContact O-N 2.83Å; T133-D135 PolarHBondContact OG1-N 3.48Å; T133-D135 PolarHBondContact OG1-O 3.28Å; D135-S139 VanDerWaalsContact CG-CB 3.45Å; D135-S139 VanDerWaalsContact OD2-CB 3.29Å; D135-S139 WeakPolarHBondContact OD2-CB 3.38Å; D135-S140 PolarHBondContact O-OG 2.89Å
136	D	97.7	Very high	97.6	Very high	76 Å²	76	45 Å²	45	41%	0.406	26%	0.259	S	S	.	.			trans	-71.9	164.1	174	73.9	75.4	0	0	0	112.4	D138 S139 S140	D136-D138 PolarHBondContact O-N 3.33Å; D136-D138 PolarHBondContact OD1-N 2.94Å; D136-S139 PolarHBondContact O-N 2.88Å; D136-S139 PolarHBondContact OD1-N 3.01Å; D136-S139 PolarHBondContact OD1-OG 3.25Å; D136-S139 WeakPolarHBondContact OD2-CB 3.38Å; D136-S139 PolarHBondContact OD2-OG 2.92Å; D136-S140 WeakPolarHBondContact O-CB 3.32Å; D136-S140 PolarHBondContact O-N 3.47Å; D136-S140 PolarHBondContact O-OG 3.04Å
137	F	98.1	Very high	97.3	Very high	32 Å²	32	48 Å²	48	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-54.6	-47.9	-176.1	-175.5	-98.2	0	0	0	114.7	S140 L141 L154 P156 W169 E202	F137-S140 PolarHBondContact O-N 2.95Å; F137-L141 HydrophobicContact CE1-CD2 4.02Å; F137-L141 HydrophobicContact CZ-CD2 4.32Å; F137-L141 VanDerWaalsContact O-CB 3.31Å; F137-L141 WeakPolarHBondContact O-CB 3.29Å; F137-L141 PolarHBondContact O-N 3.43Å; F137-L154 HydrophobicContact CD2-CD2 4.13Å; F137-L154 HydrophobicContact CD2-CG 4.43Å; F137-L154 HydrophobicContact CE2-CD2 3.69Å; F137-L154 HydrophobicContact CE2-CG 3.98Å; F137-L154 HydrophobicContact CZ-CD2 4.26Å; F137-P156 HydrophobicContact CD2-CB 3.86Å; F137-P156 HydrophobicContact CD2-CG 3.81Å; F137-P156 HydrophobicContact CE2-CB 4.17Å; F137-P156 HydrophobicContact CE2-CG 3.58Å; F137-P156 HydrophobicContact CZ-CG 4.42Å; F137-W169 HydrophobicContact CE1-CZ2 4.22Å; F137-W169 HydrophobicContact CE2-CD2 4.17Å; F137-W169 AromaticContact CE2-CE3 3.97Å; F137-W169 HydrophobicContact CE2-CE3 3.97Å; F137-W169 HydrophobicContact CE2-CZ3 4.23Å; F137-W169 AromaticContact CZ-CD2 3.59Å; F137-W169 HydrophobicContact CZ-CD2 3.59Å; F137-W169 AromaticContact CZ-CE2 3.6Å; F137-W169 AromaticContact CZ-CE3 3.78Å; F137-W169 HydrophobicContact CZ-CE3 3.78Å; F137-W169 HydrophobicContact CZ-CG 4.13Å; F137-W169 HydrophobicContact CZ-CH2 4.01Å; F137-W169 AromaticContact CZ-CZ2 3.82Å; F137-W169 HydrophobicContact CZ-CZ2 3.82Å; F137-W169 HydrophobicContact CZ-CZ3 4.01Å; F137-E202 HydrophobicContact CB-CG 4.49Å; F137-E202 PolarHBondContact N-OE1 3.09Å
138	D	97.3	Very high	97.1	Very high	119 Å²	119	55.2 Å²	55.2	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-72	-41.9	-173	-72.1	-30.6	0	0	0	110.5	D136 L141 A142	D136-D138 PolarHBondContact O-N 3.33Å; D136-D138 PolarHBondContact OD1-N 2.94Å; D138-L141 PolarHBondContact O-N 2.64Å; D138-A142 WeakPolarHBondContact O-CB 3.36Å; D138-A142 PolarHBondContact O-N 2.53Å
139	S	97.5	Very high	97	Very high	44 Å²	44	57.3 Å²	57.3	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-40.4	173.9	-58.8	0	0	0	0	111.9	D135 D136 T143	D135-S139 VanDerWaalsContact CG-CB 3.45Å; D135-S139 VanDerWaalsContact OD2-CB 3.29Å; D135-S139 WeakPolarHBondContact OD2-CB 3.38Å; D136-S139 PolarHBondContact O-N 2.88Å; D136-S139 PolarHBondContact OD1-N 3.01Å; D136-S139 PolarHBondContact OD1-OG 3.25Å; D136-S139 WeakPolarHBondContact OD2-CB 3.38Å; D136-S139 PolarHBondContact OD2-OG 2.92Å; S139-T143 WeakPolarHBondContact O-CB 3.27Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 PolarHBondContact O-OG1 3.29Å
140	S	97.6	Very high	96.9	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-46.6	175.6	-58.8	0	0	0	0	111.6	T133 D135 D136 F137 A142 T143 L144	T133-S140 WeakPolarHBondContact CB-OG 3.4Å; T133-S140 WeakPolarHBondContact CG2-OG 3.49Å; T133-S140 PolarHBondContact OG1-OG 2.96Å; D135-S140 PolarHBondContact O-OG 2.89Å; D136-S140 WeakPolarHBondContact O-CB 3.32Å; D136-S140 PolarHBondContact O-N 3.47Å; D136-S140 PolarHBondContact O-OG 3.04Å; F137-S140 PolarHBondContact O-N 2.95Å; S140-A142 PolarHBondContact O-N 3.08Å; S140-T143 PolarHBondContact O-N 3.43Å; S140-L144 WeakPolarHBondContact O-CB 3.49Å; S140-L144 VanDerWaalsContact O-CG 3.27Å; S140-L144 WeakPolarHBondContact O-CG 3.47Å; S140-L144 PolarHBondContact O-N 3.3Å
141	L	98.3	Very high	96.9	Very high	42 Å²	42	58.2 Å²	58.2	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-43	179	-179.8	61.5	0	0	0	111.4	F137 D138 T145 L154 L171	F137-L141 HydrophobicContact CE1-CD2 4.02Å; F137-L141 HydrophobicContact CZ-CD2 4.32Å; F137-L141 VanDerWaalsContact O-CB 3.31Å; F137-L141 WeakPolarHBondContact O-CB 3.29Å; F137-L141 PolarHBondContact O-N 3.43Å; D138-L141 PolarHBondContact O-N 2.64Å; L141-T145 HydrophobicContact CD1-CG2 4.13Å; L141-T145 WeakPolarHBondContact O-CB 2.78Å; L141-T145 WeakPolarHBondContact O-CG2 3.21Å; L141-T145 PolarHBondContact O-N 3.17Å; L141-T145 PolarHBondContact O-OG1 2.86Å; L141-L154 HydrophobicContact CB-CD2 3.99Å; L141-L154 HydrophobicContact CD1-CD2 4.21Å; L141-L171 HydrophobicContact CD1-CD1 4.42Å; L141-L171 HydrophobicContact CD1-CD2 3.53Å
142	A	97.6	Very high	96.9	Very high	61 Å²	61	58.3 Å²	58.3	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-45	175.6	0	0	0	0	0	111.7	D138 S140 T145 D146	D138-A142 WeakPolarHBondContact O-CB 3.36Å; D138-A142 PolarHBondContact O-N 2.53Å; S140-A142 PolarHBondContact O-N 3.08Å; A142-T145 PolarHBondContact O-N 3.4Å; A142-T145 PolarHBondContact O-OG1 3.11Å; A142-D146 PolarHBondContact O-N 3.4Å
143	T	96.8	Very high	96.9	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.454	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-45.4	179.6	-60.3	0	0	0	0	112.2	S139 S140 T145 D146 V149	S139-T143 WeakPolarHBondContact O-CB 3.27Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 PolarHBondContact O-OG1 3.29Å; S140-T143 PolarHBondContact O-N 3.43Å; T143-T145 PolarHBondContact O-N 3.1Å; T143-D146 PolarHBondContact O-N 2.88Å; T143-V149 HydrophobicContact CG2-CG1 3.69Å
144	L	97.6	Very high	97	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-76	-5.5	-177.3	-68.4	166.8	0	0	0	113.9	S140 V149 S150 L154 L171 E200	S140-L144 WeakPolarHBondContact O-CB 3.49Å; S140-L144 VanDerWaalsContact O-CG 3.27Å; S140-L144 WeakPolarHBondContact O-CG 3.47Å; S140-L144 PolarHBondContact O-N 3.3Å; L144-V149 CarbonylContact C-O 3.56Å; L144-V149 HydrophobicContact CD2-CG2 4.38Å; L144-S150 WeakPolarHBondContact O-CA 3.31Å; L144-S150 WeakPolarHBondContact O-CB 3.31Å; L144-L154 HydrophobicContact CD1-CB 4.46Å; L144-L154 HydrophobicContact CD1-CD1 3.99Å; L144-L154 HydrophobicContact CD1-CD2 4.27Å; L144-L154 HydrophobicContact CD1-CG 4.47Å; L144-L171 HydrophobicContact CB-CD1 3.56Å; L144-L171 HydrophobicContact CD1-CD1 4.2Å; L144-E200 HydrophobicContact CD1-CB 3.86Å; L144-E200 HydrophobicContact CD1-CG 3.77Å; L144-E200 HydrophobicContact CD2-CG 3.92Å
145	T	96.8	Very high	97.1	Very high	89 Å²	89	54.1 Å²	54.1	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	3.5	174.1	58.3	0	0	0	0	112.8	L141 A142 T143 L171	L141-T145 HydrophobicContact CD1-CG2 4.13Å; L141-T145 WeakPolarHBondContact O-CB 2.78Å; L141-T145 WeakPolarHBondContact O-CG2 3.21Å; L141-T145 PolarHBondContact O-N 3.17Å; L141-T145 PolarHBondContact O-OG1 2.86Å; A142-T145 PolarHBondContact O-N 3.4Å; A142-T145 PolarHBondContact O-OG1 3.11Å; T143-T145 PolarHBondContact O-N 3.1Å; T145-L171 HydrophobicContact CG2-CD1 4.38Å; T145-L171 HydrophobicContact CG2-CD2 4.23Å
146	D	93.2	Very high	97.2	Very high	88 Å²	88	50.9 Å²	50.9	47%	0.471	28%	0.277	S	S	.	.	S	Bend	trans	-81.4	-176	169.4	-170.3	24.6	0	0	0	111.2	A142 T143 Q148	A142-D146 PolarHBondContact O-N 3.4Å; T143-D146 PolarHBondContact O-N 2.88Å; D146-Q148 PolarHBondContact O-N 3.48Å
147	K	91.8	Very high	97.3	Very high	180 Å²	180	48.4 Å²	48.4	78%	0.783	27%	0.267	S	S	*	.	S	Bend	trans	-84.8	-1	-172.2	-59.9	179.1	-176	177	0	115	W179	K147-W179 WeakPolarHBondContact O-CZ3 3.38Å
148	Q	93.6	Very high	97.3	Very high	158 Å²	158	51.3 Å²	51.3	74%	0.738	29%	0.287	S	S	*	.	S	Bend	trans	-107.5	-32.2	-170.4	-65.1	-174.6	46.2	0	0	114.1	D146	D146-Q148 PolarHBondContact O-N 3.48Å
149	V	96.6	Very high	97.4	Very high	44 Å²	44	46 Å²	46	27%	0.267	26%	0.26	S	S	.	.			trans	-151.2	146	-173.1	65.2	0	0	0	0	108.2	T143 L144 W179	T143-V149 HydrophobicContact CG2-CG1 3.69Å; L144-V149 CarbonylContact C-O 3.56Å; L144-V149 HydrophobicContact CD2-CG2 4.38Å; V149-W179 WeakPolarHBondContact CA-O 3.06Å; V149-W179 WeakPolarHBondContact CG2-O 3.44Å
150	S	98.3	Very high	97.4	Very high	21 Å²	21	46.3 Å²	46.3	15%	0.147	26%	0.26	C	S	.	.			trans	-154.1	159.9	174.3	62	0	0	0	0	110.2	L144 A178 W179 H180	L144-S150 WeakPolarHBondContact O-CA 3.31Å; L144-S150 WeakPolarHBondContact O-CB 3.31Å; S150-A178 WeakPolarHBondContact OG-CA 3.23Å; S150-W179 PolarHBondContact N-O 3.41Å; S150-W179 CarbonylContact O-C 3.42Å; S150-W179 PolarHBondContact O-N 3.3Å; S150-W179 VanDerWaalsContact O-O 3.11Å; S150-W179 PolarHBondContact OG-N 2.93Å; S150-H180 WeakPolarHBondContact O-CB 3.23Å; S150-H180 PolarHBondContact O-N 2.95Å
151	S	98.7	Very high	97.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.			trans	-128.1	164.3	171.3	66.4	0	0	0	0	109.6	Y153 L171 V172 E200	S151-Y153 PolarHBondContact OG-O 2.98Å; S151-Y153 VanDerWaalsContact OG-O 3.05Å; S151-L171 WeakPolarHBondContact O-CB 3.14Å; S151-V172 WeakPolarHBondContact O-CG2 3.48Å; S151-E200 VanDerWaalsContact CB-CG 3.42Å; S151-E200 WeakPolarHBondContact OG-CG 3.4Å
152	H	98.9	Very high	97.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.301	C	S	.	.	S	Bend	trans	-75.6	-39.3	175.8	-62.5	80.4	0	0	0	110.1	Q170 L171 E176 A178 S196 I197 G198	H152-Q170 CarbonylContact O-C 3.52Å; H152-Q170 VanDerWaalsContact O-CA 3.24Å; H152-Q170 WeakPolarHBondContact O-CA 3.48Å; H152-Q170 WeakPolarHBondContact O-CG 3.46Å; H152-L171 PolarHBondContact O-N 2.89Å; H152-E176 PolarHBondContact NE2-O 2.85Å; H152-E176 VanDerWaalsContact NE2-O 3.09Å; H152-A178 PolarHBondContact CE1-N 2.89Å; H152-S196 PolarHBondContact CE1-O 3.44Å; H152-I197 HydrophobicContact CB-CG2 3.94Å; H152-G198 PolarHBondContact N-O 3.1Å; H152-G198 PolarHBondContact ND1-N 2.84Å
153	Y	98.9	Very high	97.3	Very high	20 Å²	20	62.7 Å²	62.7	8%	0.078	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.6	-177.9	-60.1	-78.6	0	0	0	112.1	S151 I168 W169 Q170 E174 I197 G198 I199 E200 L229 I233	S151-Y153 PolarHBondContact OG-O 2.98Å; S151-Y153 VanDerWaalsContact OG-O 3.05Å; Y153-I168 HydrophobicContact CD1-CG2 4.23Å; Y153-W169 CarbonylContact C-O 3.51Å; Y153-W169 VanDerWaalsContact CA-O 3.23Å; Y153-W169 WeakPolarHBondContact CA-O 3.31Å; Y153-Q170 HydrophobicContact CD1-CB 3.93Å; Y153-Q170 HydrophobicContact CD1-CG 4.08Å; Y153-Q170 HydrophobicContact CE1-CB 3.8Å; Y153-Q170 HydrophobicContact CE1-CG 3.68Å; Y153-E174 HydrophobicContact CE2-CG 4.22Å; Y153-E174 WeakPolarHBondContact CE2-OE1 3.3Å; Y153-E174 PolarHBondContact OH-OE1 3.04Å; Y153-I197 HydrophobicContact CD2-CG2 3.94Å; Y153-I197 HydrophobicContact CE2-CG2 3.92Å; Y153-G198 PolarHBondContact N-O 2.83Å; Y153-I199 HydrophobicContact CD2-CG1 4.09Å; Y153-E200 PolarHBondContact O-N 2.93Å; Y153-L229 HydrophobicContact CD1-CD1 4.14Å; Y153-L229 HydrophobicContact CD1-CD2 4.17Å; Y153-L229 HydrophobicContact CD2-CD1 4.38Å; Y153-L229 HydrophobicContact CD2-CD2 4.31Å; Y153-L229 HydrophobicContact CE1-CD1 3.89Å; Y153-L229 HydrophobicContact CE2-CD1 4.15Å; Y153-L229 HydrophobicContact CG-CD1 4.36Å; Y153-L229 HydrophobicContact CG-CD2 3.93Å; Y153-I233 HydrophobicContact CD2-CD1 4.1Å; Y153-I233 HydrophobicContact CE2-CD1 3.69Å; Y153-I233 HydrophobicContact CE2-CG1 4.34Å
154	L	98.9	Very high	97.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.5	169.6	174.7	62.6	0	0	0	109.3	T133 F137 L141 L144 I168 W169 L171 E200	T133-L154 HydrophobicContact CG2-CD1 3.72Å; F137-L154 HydrophobicContact CD2-CD2 4.13Å; F137-L154 HydrophobicContact CD2-CG 4.43Å; F137-L154 HydrophobicContact CE2-CD2 3.69Å; F137-L154 HydrophobicContact CE2-CG 3.98Å; F137-L154 HydrophobicContact CZ-CD2 4.26Å; L141-L154 HydrophobicContact CB-CD2 3.99Å; L141-L154 HydrophobicContact CD1-CD2 4.21Å; L144-L154 HydrophobicContact CD1-CB 4.46Å; L144-L154 HydrophobicContact CD1-CD1 3.99Å; L144-L154 HydrophobicContact CD1-CD2 4.27Å; L144-L154 HydrophobicContact CD1-CG 4.47Å; L154-I168 WeakPolarHBondContact O-CG2 3.24Å; L154-W169 HydrophobicContact CB-CB 4.32Å; L154-W169 PolarHBondContact N-O 3.21Å; L154-W169 PolarHBondContact O-N 3.23Å; L154-L171 HydrophobicContact CB-CD1 4.16Å; L154-E200 CarbonylContact C-O 3.09Å; L154-E200 WeakPolarHBondContact CA-O 3.45Å; L154-E200 HydrophobicContact CD1-CB 3.9Å
155	V	98.8	Very high	97.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.2	-179.6	-168.8	0	0	0	0	109.2	P159 I168 I199 E200 L201 E202 Q222 A225 L229	V155-P159 HydrophobicContact CG1-CG 3.94Å; V155-I168 HydrophobicContact CG1-CD1 4.49Å; V155-I168 HydrophobicContact CG1-CG1 4.28Å; V155-I168 HydrophobicContact CG2-CD1 4.25Å; V155-I168 HydrophobicContact CG2-CG1 4.35Å; V155-I168 HydrophobicContact CG2-CG2 3.88Å; V155-I199 HydrophobicContact CG2-CG2 3.79Å; V155-E200 PolarHBondContact N-O 3.11Å; V155-L201 HydrophobicContact CB-CD2 3.72Å; V155-L201 HydrophobicContact CG1-CD2 4.45Å; V155-L201 HydrophobicContact CG2-CD2 3.77Å; V155-E202 PolarHBondContact O-N 2.97Å; V155-Q222 HydrophobicContact CB-CG 4.37Å; V155-Q222 HydrophobicContact CG1-CG 3.78Å; V155-Q222 PolarHBondContact O-NE2 3.41Å; V155-A225 HydrophobicContact CG1-CB 4.25Å; V155-L229 HydrophobicContact CG2-CD2 4.45Å
156	P	98.8	Very high	97.3	Very high	7 Å²	7	66.2 Å²	66.2	5%	0.045	34%	0.34	C	S	.	.			trans	-58.3	158.2	174.8	-14.1	20.9	0	0	0	112.4	F137 V158 P159 W169 E202 Q222	F137-P156 HydrophobicContact CD2-CB 3.86Å; F137-P156 HydrophobicContact CD2-CG 3.81Å; F137-P156 HydrophobicContact CE2-CB 4.17Å; F137-P156 HydrophobicContact CE2-CG 3.58Å; F137-P156 HydrophobicContact CZ-CG 4.42Å; P156-V158 VanDerWaalsContact C-N 3.3Å; P156-V158 PolarHBondContact O-N 3Å; P156-P159 HydrophobicContact CG-CB 4.49Å; P156-P159 VanDerWaalsContact O-CD 3.27Å; P156-P159 WeakPolarHBondContact O-CD 3.33Å; P156-P159 WeakPolarHBondContact O-CG 3.5Å; P156-W169 HydrophobicContact CG-CE3 3.86Å; P156-W169 HydrophobicContact CG-CH2 4.34Å; P156-W169 HydrophobicContact CG-CZ3 3.43Å; P156-W169 VanDerWaalsContact CG-CZ3 3.43Å; P156-E202 VanDerWaalsContact CA-OE2 3.23Å; P156-E202 WeakPolarHBondContact CA-OE2 3.3Å; P156-Q222 WeakPolarHBondContact O-CG 3.25Å; P156-Q222 PolarHBondContact O-NE2 3.25Å
157	A	98.7	Very high	97.6	Very high	24 Å²	24	67.1 Å²	67.1	20%	0.198	34%	0.337	C	S	.	.	S	Bend	trans	-61.9	-40.8	178.6	0	0	0	0	0	110.5	E202 E219 Q222	A157-E202 HydrophobicContact CB-CB 4.36Å; A157-E202 HydrophobicContact CB-CG 4.19Å; A157-E202 PolarHBondContact N-OE2 3.03Å; A157-E219 HydrophobicContact CB-CG 4.3Å; A157-E219 WeakPolarHBondContact O-CB 3.47Å; A157-Q222 WeakPolarHBondContact O-CB 3.36Å
158	V	98.7	Very high	97.9	Very high	93 Å²	93	60.6 Å²	60.6	56%	0.564	31%	0.31	S	S	*	.	S	Bend	trans	-127.6	90.4	169.2	-174.7	0	0	0	0	108.3	P156 E219 A221	P156-V158 VanDerWaalsContact C-N 3.3Å; P156-V158 PolarHBondContact O-N 3Å; V158-E219 HydrophobicContact CG2-CB 4.36Å; V158-E219 HydrophobicContact CG2-CG 4Å; V158-A221 HydrophobicContact CG1-CB 4.1Å
159	P	98.6	Very high	98.2	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.052	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-57.4	126.4	-174.8	-29.3	38	0	0	0	112.4	V155 P156 P166 A225	V155-P159 HydrophobicContact CG1-CG 3.94Å; P156-P159 HydrophobicContact CG-CB 4.49Å; P156-P159 VanDerWaalsContact O-CD 3.27Å; P156-P159 WeakPolarHBondContact O-CD 3.33Å; P156-P159 WeakPolarHBondContact O-CG 3.5Å; P159-P166 HydrophobicContact CB-CB 3.71Å; P159-P166 HydrophobicContact CG-CB 4.46Å; P159-A225 HydrophobicContact CB-CB 4.39Å; P159-A225 HydrophobicContact CG-CB 3.81Å
160	P	98.4	Very high	98.3	Very high	50 Å²	50	59.6 Å²	59.6	33%	0.325	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-65	144.2	177.4	27.4	-32.9	0	0	0	109.7	Y162 R167 W169	P160-Y162 HydrophobicContact CB-CE2 3.91Å; P160-Y162 HydrophobicContact CG-CE2 4.11Å; P160-R167 HydrophobicContact CG-CB 4.38Å; P160-R167 WeakPolarHBondContact O-CB 3.37Å; P160-R167 PolarHBondContact O-N 3.41Å; P160-W169 HydrophobicContact CG-CH2 3.75Å; P160-W169 HydrophobicContact CG-CZ3 4.15Å
161	R	98.4	Very high	98.3	Very high	161 Å²	161	60.7 Å²	60.7	61%	0.608	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.8	-174.1	-55.4	-174.1	77.3	88.3	-3.6	111.5	G164 K165	R161-G164 PolarHBondContact NH2-O 2.94Å; R161-K165 CarbonylContact C-O 3.52Å; R161-K165 VanDerWaalsContact CA-O 3.24Å; R161-K165 WeakPolarHBondContact CA-O 3.22Å
162	Y	97	Very high	98.3	Very high	122 Å²	122	61.5 Å²	61.5	48%	0.478	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.8	173.5	-63.2	-95.6	0	0	0	108.3	P160 G164 K165 R167	P160-Y162 HydrophobicContact CB-CE2 3.91Å; P160-Y162 HydrophobicContact CG-CE2 4.11Å; Y162-G164 PolarHBondContact O-N 3.04Å; Y162-K165 PolarHBondContact N-O 3.14Å; Y162-K165 PolarHBondContact O-N 2.89Å; Y162-R167 HydrophobicContact CD2-CB 4.1Å; Y162-R167 HydrophobicContact CE2-CB 4.42Å
163	N	95.9	Very high	98.3	Very high	167 Å²	167	64.1 Å²	64.1	89%	0.893	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.7	-173.3	-61.9	-26.8	0	0	0	113.4	K165	N163-K165 PolarHBondContact O-N 3.19Å
164	G	95.7	Very high	98.3	Very high	56 Å²	56	64 Å²	64	58%	0.577	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	4.2	-179.5	0	0	0	0	0	115.3	R161 Y162	R161-G164 PolarHBondContact NH2-O 2.94Å; Y162-G164 PolarHBondContact O-N 3.04Å
165	K	98	Very high	98.1	Very high	152 Å²	152	72.5 Å²	72.5	66%	0.661	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.3	-178.7	-62.3	-179.6	-178.7	-176.9	0	111.6	R161 Y162 N163	R161-K165 CarbonylContact C-O 3.52Å; R161-K165 VanDerWaalsContact CA-O 3.24Å; R161-K165 WeakPolarHBondContact CA-O 3.22Å; Y162-K165 PolarHBondContact N-O 3.14Å; Y162-K165 PolarHBondContact O-N 2.89Å; N163-K165 PolarHBondContact O-N 3.19Å
166	P	98.5	Very high	98.1	Very high	39 Å²	39	78 Å²	78	25%	0.253	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.2	172.4	29.3	-33.1	0	0	0	110.4	P159 A225	P159-P166 HydrophobicContact CB-CB 3.71Å; P159-P166 HydrophobicContact CG-CB 4.46Å; P166-A225 HydrophobicContact CB-CB 3.7Å; P166-A225 HydrophobicContact CG-CB 3.7Å
167	R	98.7	Very high	98	Very high	106 Å²	106	81.5 Å²	81.5	40%	0.4	41%	0.409	S	S	.	.			trans	-88.4	128.5	174.2	-178.7	172.6	-69.9	171.3	0.7	110.4	P160 Y162 W169	P160-R167 HydrophobicContact CG-CB 4.38Å; P160-R167 WeakPolarHBondContact O-CB 3.37Å; P160-R167 PolarHBondContact O-N 3.41Å; Y162-R167 HydrophobicContact CD2-CB 4.1Å; Y162-R167 HydrophobicContact CE2-CB 4.42Å; R167-W169 HydrophobicContact CB-CH2 4.46Å; R167-W169 HydrophobicContact CB-CZ3 4.14Å; R167-W169 HydrophobicContact CG-CE3 4.11Å; R167-W169 HydrophobicContact CG-CH2 3.99Å; R167-W169 HydrophobicContact CG-CZ2 4.47Å; R167-W169 HydrophobicContact CG-CZ3 3.77Å; R167-W169 WeakPolarHBondContact O-CZ3 3.2Å
168	I	98.8	Very high	98	Very high	44 Å²	44	80.3 Å²	80.3	23%	0.226	40%	0.399	C	S	.	.			trans	-116.9	143.1	172.3	-60.2	175.7	0	0	0	107.1	Y153 L154 V155 A225 L229	Y153-I168 HydrophobicContact CD1-CG2 4.23Å; L154-I168 WeakPolarHBondContact O-CG2 3.24Å; V155-I168 HydrophobicContact CG1-CD1 4.49Å; V155-I168 HydrophobicContact CG1-CG1 4.28Å; V155-I168 HydrophobicContact CG2-CD1 4.25Å; V155-I168 HydrophobicContact CG2-CG1 4.35Å; V155-I168 HydrophobicContact CG2-CG2 3.88Å; I168-A225 HydrophobicContact CD1-CB 4.18Å; I168-A225 WeakPolarHBondContact CD1-O 3.01Å; I168-A225 HydrophobicContact CG1-CB 4.47Å; I168-L229 HydrophobicContact CD1-CB 3.98Å; I168-L229 HydrophobicContact CD1-CD2 3.77Å; I168-L229 HydrophobicContact CD1-CG 4.44Å; I168-L229 HydrophobicContact CG2-CD2 4.04Å
169	W	98.8	Very high	98	Very high	72 Å²	72	82.7 Å²	82.7	27%	0.273	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.2	178	-80.6	-112.8	0	0	0	109.1	F137 Y153 L154 P156 P160 R167 L171	F137-W169 HydrophobicContact CE1-CZ2 4.22Å; F137-W169 HydrophobicContact CE2-CD2 4.17Å; F137-W169 AromaticContact CE2-CE3 3.97Å; F137-W169 HydrophobicContact CE2-CE3 3.97Å; F137-W169 HydrophobicContact CE2-CZ3 4.23Å; F137-W169 AromaticContact CZ-CD2 3.59Å; F137-W169 HydrophobicContact CZ-CD2 3.59Å; F137-W169 AromaticContact CZ-CE2 3.6Å; F137-W169 AromaticContact CZ-CE3 3.78Å; F137-W169 HydrophobicContact CZ-CE3 3.78Å; F137-W169 HydrophobicContact CZ-CG 4.13Å; F137-W169 HydrophobicContact CZ-CH2 4.01Å; F137-W169 AromaticContact CZ-CZ2 3.82Å; F137-W169 HydrophobicContact CZ-CZ2 3.82Å; F137-W169 HydrophobicContact CZ-CZ3 4.01Å; Y153-W169 CarbonylContact C-O 3.51Å; Y153-W169 VanDerWaalsContact CA-O 3.23Å; Y153-W169 WeakPolarHBondContact CA-O 3.31Å; L154-W169 HydrophobicContact CB-CB 4.32Å; L154-W169 PolarHBondContact N-O 3.21Å; L154-W169 PolarHBondContact O-N 3.23Å; P156-W169 HydrophobicContact CG-CE3 3.86Å; P156-W169 HydrophobicContact CG-CH2 4.34Å; P156-W169 HydrophobicContact CG-CZ3 3.43Å; P156-W169 VanDerWaalsContact CG-CZ3 3.43Å; P160-W169 HydrophobicContact CG-CH2 3.75Å; P160-W169 HydrophobicContact CG-CZ3 4.15Å; R167-W169 HydrophobicContact CB-CH2 4.46Å; R167-W169 HydrophobicContact CB-CZ3 4.14Å; R167-W169 HydrophobicContact CG-CE3 4.11Å; R167-W169 HydrophobicContact CG-CH2 3.99Å; R167-W169 HydrophobicContact CG-CZ2 4.47Å; R167-W169 HydrophobicContact CG-CZ3 3.77Å; R167-W169 WeakPolarHBondContact O-CZ3 3.2Å; W169-L171 HydrophobicContact CB-CD2 4.06Å
170	Q	98.8	Very high	98	Very high	109 Å²	109	82.7 Å²	82.7	51%	0.509	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.5	167.5	-174.3	177.3	14.5	0	0	108.1	H152 Y153	H152-Q170 CarbonylContact O-C 3.52Å; H152-Q170 VanDerWaalsContact O-CA 3.24Å; H152-Q170 WeakPolarHBondContact O-CA 3.48Å; H152-Q170 WeakPolarHBondContact O-CG 3.46Å; Y153-Q170 HydrophobicContact CD1-CB 3.93Å; Y153-Q170 HydrophobicContact CD1-CG 4.08Å; Y153-Q170 HydrophobicContact CE1-CB 3.8Å; Y153-Q170 HydrophobicContact CE1-CG 3.68Å
171	L	98.6	Very high	98	Very high	43 Å²	43	80.3 Å²	80.3	23%	0.225	38%	0.382	C	S	.	.			trans	-104.4	-29.9	-174.8	-46.8	179.4	0	0	0	112.1	L141 L144 T145 S151 H152 L154 W169	L141-L171 HydrophobicContact CD1-CD1 4.42Å; L141-L171 HydrophobicContact CD1-CD2 3.53Å; L144-L171 HydrophobicContact CB-CD1 3.56Å; L144-L171 HydrophobicContact CD1-CD1 4.2Å; T145-L171 HydrophobicContact CG2-CD1 4.38Å; T145-L171 HydrophobicContact CG2-CD2 4.23Å; S151-L171 WeakPolarHBondContact O-CB 3.14Å; H152-L171 PolarHBondContact O-N 2.89Å; L154-L171 HydrophobicContact CB-CD1 4.16Å; W169-L171 HydrophobicContact CB-CD2 4.06Å
172	V	98.4	Very high	97.8	Very high	17 Å²	17	74.5 Å²	74.5	10%	0.103	37%	0.373	C	S	.	.	S	Bend	trans	-130.4	133.2	178.5	-178.5	0	0	0	0	109.5	S151 E176 A178	S151-V172 WeakPolarHBondContact O-CG2 3.48Å; V172-E176 HydrophobicContact CG1-CB 4Å; V172-A178 HydrophobicContact CB-CB 4.03Å; V172-A178 HydrophobicContact CG1-CB 4.19Å; V172-A178 HydrophobicContact CG2-CB 3.87Å
173	P	98.3	Very high	97.8	Very high	56 Å²	56	75.8 Å²	75.8	36%	0.364	39%	0.386	S	S	.	.			trans	-58.8	137.1	172.3	-22.4	33.8	0	0	0	111.2	Q175 E176	P173-Q175 HydrophobicContact CB-CG 4.11Å; P173-Q175 PolarHBondContact O-N 3.42Å; P173-E176 PolarHBondContact O-N 3.37Å
174	E	98.6	Very high	97.8	Very high	19 Å²	19	68.2 Å²	68.2	9%	0.089	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.4	-177.2	-62.2	-179.4	155.2	0	0	114.5	I125 Y153 E176 I197 R236 Y237	I125-E174 HydrophobicContact CD1-CB 4.21Å; I125-E174 WeakPolarHBondContact CD1-O 3.33Å; Y153-E174 HydrophobicContact CE2-CG 4.22Å; Y153-E174 WeakPolarHBondContact CE2-OE1 3.3Å; Y153-E174 PolarHBondContact OH-OE1 3.04Å; E174-E176 VanDerWaalsContact C-N 3.27Å; E174-I197 HydrophobicContact CB-CD1 4Å; E174-I197 HydrophobicContact CB-CG1 4.49Å; E174-I197 HydrophobicContact CG-CD1 3.72Å; E174-I197 HydrophobicContact CG-CG1 4.33Å; E174-R236 IonicContact OE1-NH1 3Å; E174-R236 PolarHBondContact OE1-NH1 3.23Å; E174-R236 IonicContact OE2-CZ 3.96Å; E174-R236 IonicContact OE2-NE 3.73Å; E174-R236 IonicContact OE2-NH1 2.93Å; E174-R236 PolarHBondContact OE2-NH1 3.2Å; E174-Y237 HydrophobicContact CB-CE2 4.5Å; E174-Y237 WeakPolarHBondContact CB-OH 3.47Å; E174-Y237 WeakPolarHBondContact OE2-CE2 3.29Å; E174-Y237 PolarHBondContact OE2-OH 3.37Å
175	Q	96.3	Very high	97.8	Very high	177 Å²	177	66.3 Å²	66.3	83%	0.827	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.4	174.9	69	-157.5	32.6	0	0	113.4	P173	P173-Q175 HydrophobicContact CB-CG 4.11Å; P173-Q175 PolarHBondContact O-N 3.42Å
176	E	98	Very high	97.7	Very high	117 Å²	117	59.3 Å²	59.3	55%	0.547	29%	0.294	S	S	.	.	S	Bend	trans	-104	161.5	174.1	-62.3	-174.8	177.4	0	0	109.5	H152 V172 P173 E174	H152-E176 PolarHBondContact NE2-O 2.85Å; H152-E176 VanDerWaalsContact NE2-O 3.09Å; V172-E176 HydrophobicContact CG1-CB 4Å; P173-E176 PolarHBondContact O-N 3.37Å; E174-E176 VanDerWaalsContact C-N 3.27Å
177	L	97.9	Very high	97.6	Very high	79 Å²	79	62.7 Å²	62.7	41%	0.414	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-88.6	138.8	172.2	64.7	92.7	0	0	0	110.1	W179 N193	L177-W179 VanDerWaalsContact CD1-CD1 3.42Å; L177-N193 WeakPolarHBondContact CB-O 3.49Å
178	A	98.4	Very high	97.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-96.7	156.5	165.4	0	0	0	0	0	110.6	S150 H152 V172 H180 N193	S150-A178 WeakPolarHBondContact OG-CA 3.23Å; H152-A178 PolarHBondContact CE1-N 2.89Å; V172-A178 HydrophobicContact CB-CB 4.03Å; V172-A178 HydrophobicContact CG1-CB 4.19Å; V172-A178 HydrophobicContact CG2-CB 3.87Å; A178-H180 PolarHBondContact O-N 3.39Å; A178-N193 VanDerWaalsContact O-CG 3.29Å; A178-N193 PolarHBondContact O-OD1 3.06Å
179	W	98.3	Very high	97.1	Very high	142 Å²	142	60.7 Å²	60.7	54%	0.538	32%	0.321	S	S	.	.	S	Bend	trans	-94.7	75.2	-179.6	-70.1	-1.8	0	0	0	111.1	K147 V149 S150 L177	K147-W179 WeakPolarHBondContact O-CZ3 3.38Å; V149-W179 WeakPolarHBondContact CA-O 3.06Å; V149-W179 WeakPolarHBondContact CG2-O 3.44Å; S150-W179 PolarHBondContact N-O 3.41Å; S150-W179 CarbonylContact O-C 3.42Å; S150-W179 PolarHBondContact O-N 3.3Å; S150-W179 VanDerWaalsContact O-O 3.11Å; S150-W179 PolarHBondContact OG-N 2.93Å; L177-W179 VanDerWaalsContact CD1-CD1 3.42Å
180	H	98.6	Very high	96.9	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.037	34%	0.336	C	S	.	.			trans	-116.6	-35.8	-175.9	62.5	90.8	0	0	0	114.7	H131 S150 A178 N193 S196 G198 H247	H131-H180 AromaticContact CE1-ND1 3.46Å; H131-H180 PolarHBondContact CE1-ND1 3.39Å; H131-H180 AromaticContact NE2-CE1 3.96Å; H131-H180 AromaticContact NE2-CG 3.71Å; H131-H180 AromaticContact NE2-ND1 3.02Å; H131-H180 PolarHBondContact NE2-ND1 3.06Å; S150-H180 WeakPolarHBondContact O-CB 3.23Å; S150-H180 PolarHBondContact O-N 2.95Å; A178-H180 PolarHBondContact O-N 3.39Å; H180-N193 PolarHBondContact N-OD1 3.29Å; H180-S196 PolarHBondContact CE1-OG 3.5Å; H180-S196 PolarHBondContact NE2-OG 2.98Å; H180-G198 PolarHBondContact NE2-N 3.05Å; H180-H247 PolarHBondContact O-CE1 3.27Å; H180-H247 PolarHBondContact O-NE2 3.02Å
181	A	97.7	Very high	96.8	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-84.6	-30.1	-173	0	0	0	0	0	114	L192 N193 H247 I250 R254	A181-L192 HydrophobicContact CB-CB 4.05Å; A181-N193 WeakPolarHBondContact CA-OD1 3.33Å; A181-N193 VanDerWaalsContact CB-OD1 3.26Å; A181-N193 WeakPolarHBondContact CB-OD1 3.34Å; A181-N193 PolarHBondContact N-OD1 3.39Å; A181-H247 PolarHBondContact O-NE2 2.78Å; A181-I250 HydrophobicContact CB-CD1 3.61Å; A181-R254 PolarHBondContact O-NH2 3.35Å
182	G	95.4	Very high	96.7	Very high	40 Å²	40	63 Å²	63	41%	0.412	33%	0.333	S	S	.	.			trans	58.1	-143.6	-173	0	0	0	0	0	113	S184	G182-S184 PolarHBondContact O-N 2.98Å; G182-S184 PolarHBondContact O-OG 3.41Å
183	I	95.3	Very high	96.7	Very high	149 Å²	149	63.4 Å²	63.4	76%	0.764	33%	0.334	S	S	*	.	S	Bend	trans	-67.2	101.2	176.8	-60.2	172.5	0	0	0	109.7	R254	I183-R254 PolarHBondContact O-NE 2.96Å; I183-R254 PolarHBondContact O-NH2 2.88Å
184	S	96.5	Very high	96.7	Very high	8 Å²	8	65.1 Å²	65.1	6%	0.056	34%	0.341	C	S	.	.			trans	-137.9	152.9	-167.7	44	0	0	0	0	111.7	G182 T190 R191 L192 I250	G182-S184 PolarHBondContact O-N 2.98Å; G182-S184 PolarHBondContact O-OG 3.41Å; S184-T190 CarbonylContact O-C 3.5Å; S184-T190 VanDerWaalsContact O-CA 3.23Å; S184-T190 WeakPolarHBondContact O-CA 3.31Å; S184-R191 PolarHBondContact O-N 2.86Å; S184-R191 VanDerWaalsContact O-N 3.08Å; S184-L192 WeakPolarHBondContact OG-CB 3.38Å; S184-L192 PolarHBondContact OG-N 2.73Å; S184-I250 VanDerWaalsContact CA-O 3.23Å; S184-I250 WeakPolarHBondContact CA-O 3.1Å
185	A	95.8	Very high	96.7	Very high	15 Å²	15	66 Å²	66	12%	0.124	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140	172.8	0	0	0	0	0	111.1	A189 T190 I250 F309	A185-A189 CarbonylContact C-O 3.56Å; A185-A189 VanDerWaalsContact CA-O 3.24Å; A185-A189 WeakPolarHBondContact CA-O 3.42Å; A185-T190 HydrophobicContact CB-CG2 4.3Å; A185-I250 PolarHBondContact N-O 3.02Å; A185-I250 WeakPolarHBondContact O-CA 3.4Å; A185-F309 HydrophobicContact CB-CD1 4.39Å; A185-F309 HydrophobicContact CB-CE1 3.91Å; A185-F309 HydrophobicContact CB-CZ 4.31Å
186	W	97	Very high	96.8	Very high	6 Å²	6	57.7 Å²	57.7	2%	0.023	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	124.6	174.8	-170.8	-114.3	0	0	0	110.3	G188 A189 L192 E242 N243 V245 D249 I250 Y306 D307	W186-G188 PolarHBondContact O-N 2.63Å; W186-G188 VanDerWaalsContact O-N 3.11Å; W186-A189 PolarHBondContact N-O 2.95Å; W186-A189 WeakPolarHBondContact O-CB 3.2Å; W186-A189 PolarHBondContact O-N 3.49Å; W186-L192 HydrophobicContact CB-CD1 4.04Å; W186-L192 HydrophobicContact CB-CD2 4.38Å; W186-L192 HydrophobicContact CB-CG 4.25Å; W186-E242 WeakPolarHBondContact CZ2-O 3.47Å; W186-E242 PolarHBondContact NE1-O 2.92Å; W186-E242 VanDerWaalsContact NE1-O 3.13Å; W186-N243 PolarHBondContact NE1-OD1 3.24Å; W186-V245 HydrophobicContact CD2-CG1 4.02Å; W186-V245 VanDerWaalsContact CE2-CG1 3.44Å; W186-V245 HydrophobicContact CH2-CG1 4.03Å; W186-V245 HydrophobicContact CZ2-CG1 3.47Å; W186-V245 VanDerWaalsContact CZ2-CG1 3.47Å; W186-D249 HydrophobicContact CE3-CB 4.28Å; W186-D249 HydrophobicContact CH2-CB 4.19Å; W186-D249 HydrophobicContact CZ3-CB 3.7Å; W186-D249 WeakPolarHBondContact CZ3-O 3.45Å; W186-I250 HydrophobicContact CB-CG2 3.9Å; W186-I250 HydrophobicContact CD2-CG2 4.27Å; W186-I250 HydrophobicContact CE3-CG2 4.14Å; W186-I250 HydrophobicContact CG-CG2 4.19Å; W186-Y306 HydrophobicContact CH2-CD1 4.31Å; W186-Y306 HydrophobicContact CH2-CE1 4.16Å; W186-D307 CarbonylContact C-O 3.56Å; W186-D307 WeakPolarHBondContact CA-O 3.25Å; W186-D307 HydrophobicContact CE3-CB 4.03Å; W186-D307 HydrophobicContact CH2-CB 4.23Å; W186-D307 WeakPolarHBondContact CH2-OD1 3.46Å; W186-D307 HydrophobicContact CZ3-CB 3.53Å; W186-D307 VanDerWaalsContact CZ3-CG 3.49Å; W186-D307 WeakPolarHBondContact CZ3-OD1 3.28Å
187	R	94.9	Very high	96.9	Very high	110 Å²	110	52.1 Å²	52.1	42%	0.415	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.3	173.3	-61.6	179.8	66.8	70.3	-5.3	114	A189 E242 Y306 D307 A308	R187-A189 VanDerWaalsContact C-N 3.33Å; R187-E242 IonicContact NH2-OE1 3.94Å; R187-Y306 VanDerWaalsContact CG-O 3.28Å; R187-Y306 WeakPolarHBondContact CG-O 3.23Å; R187-Y306 PolarHBondContact NH1-O 2.86Å; R187-D307 PolarHBondContact N-O 3.46Å; R187-A308 VanDerWaalsContact CA-CB 3.45Å
188	G	92.2	Very high	96.9	Very high	67 Å²	67	48.3 Å²	48.3	69%	0.691	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-10.2	178.6	0	0	0	0	0	114.3	W186	W186-G188 PolarHBondContact O-N 2.63Å; W186-G188 VanDerWaalsContact O-N 3.11Å
189	A	94.7	Very high	96.9	Very high	40 Å²	40	48.3 Å²	48.3	33%	0.331	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	151.5	170.1	0	0	0	0	0	110.7	A185 W186 R187	A185-A189 CarbonylContact C-O 3.56Å; A185-A189 VanDerWaalsContact CA-O 3.24Å; A185-A189 WeakPolarHBondContact CA-O 3.42Å; W186-A189 PolarHBondContact N-O 2.95Å; W186-A189 WeakPolarHBondContact O-CB 3.2Å; W186-A189 PolarHBondContact O-N 3.49Å; R187-A189 VanDerWaalsContact C-N 3.33Å
190	T	95.8	Very high	97	Very high	95 Å²	95	42.4 Å²	42.4	58%	0.583	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	170.2	169	60.4	0	0	0	0	109.1	S184 A185	S184-T190 CarbonylContact O-C 3.5Å; S184-T190 VanDerWaalsContact O-CA 3.23Å; S184-T190 WeakPolarHBondContact O-CA 3.31Å; A185-T190 HydrophobicContact CB-CG2 4.3Å
191	R	95.9	Very high	97	Very high	178 Å²	178	42 Å²	42	67%	0.672	24%	0.239	S	C	*	.			trans	55.1	58.1	179.8	-56.1	179.7	-179.3	-178.9	-0.4	111.7	S184 N193 D194	S184-R191 PolarHBondContact O-N 2.86Å; S184-R191 VanDerWaalsContact O-N 3.08Å; R191-N193 PolarHBondContact O-N 2.72Å; R191-D194 PolarHBondContact O-N 3.22Å
192	L	97.8	Very high	97	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.8	-18.8	-168.1	-82.3	-72.5	0	0	0	113.8	V127 A181 S184 W186 D194 T195 S196 I250	V127-L192 HydrophobicContact CB-CD1 4.39Å; V127-L192 HydrophobicContact CG1-CD1 4.44Å; V127-L192 HydrophobicContact CG2-CD1 3.96Å; A181-L192 HydrophobicContact CB-CB 4.05Å; S184-L192 WeakPolarHBondContact OG-CB 3.38Å; S184-L192 PolarHBondContact OG-N 2.73Å; W186-L192 HydrophobicContact CB-CD1 4.04Å; W186-L192 HydrophobicContact CB-CD2 4.38Å; W186-L192 HydrophobicContact CB-CG 4.25Å; L192-D194 PolarHBondContact O-N 2.89Å; L192-D194 VanDerWaalsContact O-N 3.1Å; L192-T195 PolarHBondContact O-N 3.31Å; L192-S196 WeakPolarHBondContact O-CB 3.27Å; L192-S196 PolarHBondContact O-N 3.42Å; L192-S196 PolarHBondContact O-OG 3.49Å; L192-I250 HydrophobicContact CB-CD1 4.17Å; L192-I250 HydrophobicContact CG-CD1 4.45Å
193	N	98.2	Very high	97.2	Very high	24 Å²	24	42.5 Å²	42.5	13%	0.128	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-47.1	-37.9	168.4	-71.2	-12.5	0	0	0	112.5	L177 A178 H180 A181 R191 T195	L177-N193 WeakPolarHBondContact CB-O 3.49Å; A178-N193 VanDerWaalsContact O-CG 3.29Å; A178-N193 PolarHBondContact O-OD1 3.06Å; H180-N193 PolarHBondContact N-OD1 3.29Å; A181-N193 WeakPolarHBondContact CA-OD1 3.33Å; A181-N193 VanDerWaalsContact CB-OD1 3.26Å; A181-N193 WeakPolarHBondContact CB-OD1 3.34Å; A181-N193 PolarHBondContact N-OD1 3.39Å; R191-N193 PolarHBondContact O-N 2.72Å; N193-T195 PolarHBondContact O-N 3.31Å
194	D	98	Very high	97.3	Very high	93 Å²	93	42.2 Å²	42.2	50%	0.497	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-68.4	-21.5	-175.1	-63.5	-6.4	0	0	0	113.5	R191 L192	R191-D194 PolarHBondContact O-N 3.22Å; L192-D194 PolarHBondContact O-N 2.89Å; L192-D194 VanDerWaalsContact O-N 3.1Å
195	T	98.4	Very high	97.3	Very high	36 Å²	36	41.8 Å²	41.8	22%	0.221	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-136.1	17.2	-170.6	59.4	0	0	0	0	113.2	R124 I125 K126 V127 L192 N193	R124-T195 WeakPolarHBondContact O-CB 3.16Å; I125-T195 WeakPolarHBondContact CA-O 3.44Å; K126-T195 PolarHBondContact N-O 3.27Å; V127-T195 PolarHBondContact N-O 2.89Å; L192-T195 PolarHBondContact O-N 3.31Å; N193-T195 PolarHBondContact O-N 3.31Å
196	S	98.8	Very high	97.4	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.5	-177.5	68.2	0	0	0	0	114.2	V127 H152 H180 L192	V127-S196 CarbonylContact O-C 3.46Å; V127-S196 WeakPolarHBondContact O-CA 3.35Å; V127-S196 WeakPolarHBondContact O-CB 3.48Å; H152-S196 PolarHBondContact CE1-O 3.44Å; H180-S196 PolarHBondContact CE1-OG 3.5Å; H180-S196 PolarHBondContact NE2-OG 2.98Å; L192-S196 WeakPolarHBondContact O-CB 3.27Å; L192-S196 PolarHBondContact O-N 3.42Å; L192-S196 PolarHBondContact O-OG 3.49Å
197	I	98.9	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.7	161.6	-74.4	168	0	0	0	107.9	I125 V127 L128 V129 H152 Y153 E174 I199 I233 Y237	I125-I197 HydrophobicContact CD1-CD1 3.68Å; I125-I197 HydrophobicContact CD1-CG1 3.8Å; I125-I197 HydrophobicContact CG1-CG1 4.45Å; I125-I197 HydrophobicContact CG2-CD1 4.04Å; I125-I197 HydrophobicContact CG2-CG1 4Å; V127-I197 PolarHBondContact O-N 2.86Å; L128-I197 HydrophobicContact CD1-CB 4.01Å; L128-I197 HydrophobicContact CD1-CG2 3.74Å; V129-I197 PolarHBondContact N-O 2.87Å; H152-I197 HydrophobicContact CB-CG2 3.94Å; Y153-I197 HydrophobicContact CD2-CG2 3.94Å; Y153-I197 HydrophobicContact CE2-CG2 3.92Å; E174-I197 HydrophobicContact CB-CD1 4Å; E174-I197 HydrophobicContact CB-CG1 4.49Å; E174-I197 HydrophobicContact CG-CD1 3.72Å; E174-I197 HydrophobicContact CG-CG1 4.33Å; I197-I199 HydrophobicContact CG2-CG1 4.46Å; I197-I233 HydrophobicContact CD1-CG1 4.48Å; I197-I233 HydrophobicContact CD1-CG2 3.67Å; I197-I233 HydrophobicContact CG2-CD1 4.08Å; I197-Y237 HydrophobicContact CD1-CD2 3.9Å; I197-Y237 HydrophobicContact CD1-CE2 3.42Å; I197-Y237 VanDerWaalsContact CD1-CE2 3.42Å
198	G	98.9	Very high	97.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	179.9	0	0	0	0	0	110.6	H152 Y153 H180	H152-G198 PolarHBondContact N-O 3.1Å; H152-G198 PolarHBondContact ND1-N 2.84Å; Y153-G198 PolarHBondContact N-O 2.83Å; H180-G198 PolarHBondContact NE2-N 3.05Å
199	I	98.9	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.6	174.4	-56.7	-179.1	0	0	0	109	L128 V129 I130 H131 Y153 V155 I197 L201 L226 L229 I233	L128-I199 HydrophobicContact CD1-CD1 3.73Å; L128-I199 HydrophobicContact CD1-CG1 3.86Å; L128-I199 HydrophobicContact CD2-CD1 4.36Å; L128-I199 HydrophobicContact CG-CD1 4.46Å; V129-I199 PolarHBondContact O-N 3.18Å; I130-I199 HydrophobicContact CD1-CB 4.17Å; I130-I199 HydrophobicContact CD1-CD1 4.22Å; H131-I199 PolarHBondContact CD2-O 3.43Å; H131-I199 PolarHBondContact N-O 2.83Å; Y153-I199 HydrophobicContact CD2-CG1 4.09Å; V155-I199 HydrophobicContact CG2-CG2 3.79Å; I197-I199 HydrophobicContact CG2-CG1 4.46Å; I199-L201 HydrophobicContact CG2-CD2 3.91Å; I199-L226 HydrophobicContact CD1-CD1 3.75Å; I199-L226 HydrophobicContact CG2-CD1 3.98Å; I199-L229 HydrophobicContact CD1-CD2 3.86Å; I199-L229 HydrophobicContact CD1-CG 4.18Å; I199-I233 HydrophobicContact CD1-CD1 3.91Å
200	E	98.9	Very high	97.4	Very high	17 Å²	17	55 Å²	55	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131	172	-74.6	-75.9	-178.3	0	0	110.3	H131 T133 L144 S151 Y153 L154 V155	H131-E200 HydrophobicContact CB-CG 4.21Å; H131-E200 WeakPolarHBondContact CB-OE1 3.46Å; H131-E200 WeakPolarHBondContact CB-OE2 3.43Å; H131-E200 IonicContact CG-OE1 3.68Å; T133-E200 HydrophobicContact CG2-CB 4.04Å; T133-E200 PolarHBondContact N-OE2 3.25Å; L144-E200 HydrophobicContact CD1-CB 3.86Å; L144-E200 HydrophobicContact CD1-CG 3.77Å; L144-E200 HydrophobicContact CD2-CG 3.92Å; S151-E200 VanDerWaalsContact CB-CG 3.42Å; S151-E200 WeakPolarHBondContact OG-CG 3.4Å; Y153-E200 PolarHBondContact O-N 2.93Å; L154-E200 CarbonylContact C-O 3.09Å; L154-E200 WeakPolarHBondContact CA-O 3.45Å; L154-E200 HydrophobicContact CD1-CB 3.9Å; V155-E200 PolarHBondContact N-O 3.11Å
201	L	98.9	Very high	97.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.7	176.9	-55.9	179.5	0	0	0	108.4	I130 H131 Y132 T133 V155 I199 N203 F218 Q222 L226 F262	I130-L201 HydrophobicContact CG2-CD1 3.63Å; I130-L201 HydrophobicContact CG2-CG 4.24Å; H131-L201 WeakPolarHBondContact O-CB 3.5Å; H131-L201 WeakPolarHBondContact O-CG 3.35Å; H131-L201 PolarHBondContact O-N 2.95Å; Y132-L201 VanDerWaalsContact CA-O 3.3Å; Y132-L201 WeakPolarHBondContact CA-O 3.42Å; T133-L201 PolarHBondContact N-O 3.5Å; V155-L201 HydrophobicContact CB-CD2 3.72Å; V155-L201 HydrophobicContact CG1-CD2 4.45Å; V155-L201 HydrophobicContact CG2-CD2 3.77Å; I199-L201 HydrophobicContact CG2-CD2 3.91Å; L201-N203 PolarHBondContact O-N 3.41Å; L201-F218 HydrophobicContact CB-CE1 4.01Å; L201-F218 HydrophobicContact CD1-CD1 3.98Å; L201-F218 HydrophobicContact CD1-CE1 3.6Å; L201-F218 HydrophobicContact CG-CE1 4.46Å; L201-Q222 HydrophobicContact CD2-CG 4.29Å; L201-L226 HydrophobicContact CD1-CD2 4.12Å; L201-L226 HydrophobicContact CD2-CD1 4.4Å; L201-L226 HydrophobicContact CD2-CD2 4.22Å; L201-F262 HydrophobicContact CD1-CD2 3.95Å; L201-F262 HydrophobicContact CD1-CE2 3.45Å; L201-F262 VanDerWaalsContact CD1-CE2 3.45Å; L201-F262 HydrophobicContact CD1-CZ 4.45Å
202	E	98.8	Very high	97.3	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	27%	0.273	C	S	.	.			trans	-59.7	103.5	171	-178.5	-166	-173.5	0	0	108.6	T133 F137 V155 P156 A157 Q222	T133-E202 WeakPolarHBondContact OG1-CA 3.39Å; F137-E202 HydrophobicContact CB-CG 4.49Å; F137-E202 PolarHBondContact N-OE1 3.09Å; V155-E202 PolarHBondContact O-N 2.97Å; P156-E202 VanDerWaalsContact CA-OE2 3.23Å; P156-E202 WeakPolarHBondContact CA-OE2 3.3Å; A157-E202 HydrophobicContact CB-CB 4.36Å; A157-E202 HydrophobicContact CB-CG 4.19Å; A157-E202 PolarHBondContact N-OE2 3.03Å; E202-Q222 VanDerWaalsContact N-NE2 3.16Å; E202-Q222 PolarHBondContact O-NE2 3.49Å
203	N	98.6	Very high	97.2	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.07	29%	0.289	C	S	.	.			trans	-158.7	137.3	-179.3	-177.9	-70.9	0	0	0	107.6	T133 A134 L201 G205 A216 P217 F218	T133-N203 PolarHBondContact OG1-N 2.99Å; A134-N203 WeakPolarHBondContact CA-O 3.39Å; A134-N203 PolarHBondContact N-O 2.86Å; L201-N203 PolarHBondContact O-N 3.41Å; N203-G205 PolarHBondContact O-N 2.98Å; N203-G205 PolarHBondContact OD1-N 3.22Å; N203-A216 PolarHBondContact ND2-O 3.13Å; N203-P217 PolarHBondContact ND2-O 2.88Å; N203-P217 VanDerWaalsContact ND2-O 3.1Å; N203-F218 HydrophobicContact CB-CD1 4.31Å; N203-F218 HydrophobicContact CB-CE1 3.86Å; N203-F218 HydrophobicContact CB-CZ 4.26Å
204	R	97.4	Very high	97.1	Very high	142 Å²	142	58.2 Å²	58.2	54%	0.536	31%	0.309	S	S	.	.			trans	-63.2	-11.5	-175.7	-168.1	173.3	65.9	-161.3	-3	114.2	Q207 A216	R204-Q207 HydrophobicContact CG-CG 4.37Å; R204-A216 HydrophobicContact CB-CB 3.97Å
205	G	97.7	Very high	97.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.			trans	65.2	-134.3	-175.5	0	0	0	0	0	110.6	N203 F215 A216	N203-G205 PolarHBondContact O-N 2.98Å; N203-G205 PolarHBondContact OD1-N 3.22Å; G205-F215 CarbonylContact O-C 3.56Å; G205-F215 WeakPolarHBondContact O-CA 3.12Å; G205-A216 PolarHBondContact O-N 3.24Å
206	W	97.3	Very high	97.1	Very high	90 Å²	90	54.4 Å²	54.4	34%	0.341	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148	177.7	65	-94.9	0	0	0	113.7	K208 K213 Y214 F215 D256	W206-K208 HydrophobicContact CE3-CG 4.19Å; W206-K208 HydrophobicContact CZ3-CD 4.02Å; W206-K208 HydrophobicContact CZ3-CG 3.72Å; W206-K213 HydrophobicContact CB-CD 4.3Å; W206-K213 HydrophobicContact CB-CG 3.62Å; W206-K213 HydrophobicContact CD2-CD 4.08Å; W206-K213 HydrophobicContact CD2-CG 3.77Å; W206-K213 HydrophobicContact CE3-CD 4.48Å; W206-K213 HydrophobicContact CE3-CG 3.84Å; W206-K213 HydrophobicContact CG-CD 3.99Å; W206-K213 HydrophobicContact CG-CG 3.7Å; W206-Y214 CarbonylContact C-O 3.54Å; W206-Y214 VanDerWaalsContact CA-O 3.24Å; W206-Y214 WeakPolarHBondContact CA-O 3.39Å; W206-F215 HydrophobicContact CB-CD1 3.8Å; W206-F215 HydrophobicContact CB-CD2 4.16Å; W206-F215 HydrophobicContact CB-CE1 3.78Å; W206-F215 HydrophobicContact CB-CE2 4.13Å; W206-F215 HydrophobicContact CB-CG 4.01Å; W206-F215 HydrophobicContact CB-CZ 3.95Å; W206-F215 AromaticContact CD1-CE1 3.87Å; W206-F215 HydrophobicContact CG-CE1 4.21Å; W206-F215 HydrophobicContact CG-CZ 4.28Å; W206-D256 PolarHBondContact NE1-OD2 2.86Å; W206-D256 VanDerWaalsContact NE1-OD2 3.16Å
207	Q	95.4	Very high	97.1	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.4	165.7	-68.1	-177.4	-34.6	0	0	109.6	R204 Y214	R204-Q207 HydrophobicContact CG-CG 4.37Å; Q207-Y214 PolarHBondContact N-O 2.91Å; Q207-Y214 PolarHBondContact O-N 3.14Å
208	K	95.6	Very high	97.1	Very high	146 Å²	146	59.9 Å²	59.9	64%	0.635	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.1	173.7	-81.1	172.4	-175.8	-176.4	0	109.5	W206 V212	W206-K208 HydrophobicContact CE3-CG 4.19Å; W206-K208 HydrophobicContact CZ3-CD 4.02Å; W206-K208 HydrophobicContact CZ3-CG 3.72Å; K208-V212 WeakPolarHBondContact CA-O 3.38Å
209	S	93.9	Very high	97.1	Very high	72 Å²	72	64.6 Å²	64.6	50%	0.503	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.1	167.9	-176.2	0	0	0	0	108.2	G211 V212	S209-G211 PolarHBondContact O-N 3.18Å; S209-V212 PolarHBondContact N-O 2.91Å; S209-V212 PolarHBondContact O-N 2.83Å
210	A	94.1	Very high	97.1	Very high	106 Å²	106	69 Å²	69	88%	0.876	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.6	-174.6	0	0	0	0	0	114.4	V212	A210-V212 PolarHBondContact O-N 2.81Å
211	G	93.7	Very high	97.1	Very high	69 Å²	69	70.2 Å²	70.2	71%	0.711	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-10.2	-178.6	0	0	0	0	0	115	S209	S209-G211 PolarHBondContact O-N 3.18Å
212	V	94.6	Very high	97.1	Very high	77 Å²	77	70.2 Å²	70.2	47%	0.467	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.7	178.5	-177.8	0	0	0	0	110	K208 S209 A210 Y214	K208-V212 WeakPolarHBondContact CA-O 3.38Å; S209-V212 PolarHBondContact N-O 2.91Å; S209-V212 PolarHBondContact O-N 2.83Å; A210-V212 PolarHBondContact O-N 2.81Å; V212-Y214 HydrophobicContact CB-CD2 4.35Å; V212-Y214 HydrophobicContact CB-CE2 3.72Å; V212-Y214 HydrophobicContact CG1-CD2 4.31Å; V212-Y214 HydrophobicContact CG1-CE2 3.8Å; V212-Y214 WeakPolarHBondContact O-CD2 3.32Å
213	K	95.8	Very high	97.1	Very high	80 Å²	80	68.6 Å²	68.6	35%	0.348	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.3	179.4	-161.6	178.8	-153.4	-178.8	0	109.3	W206 F215 D256	W206-K213 HydrophobicContact CB-CD 4.3Å; W206-K213 HydrophobicContact CB-CG 3.62Å; W206-K213 HydrophobicContact CD2-CD 4.08Å; W206-K213 HydrophobicContact CD2-CG 3.77Å; W206-K213 HydrophobicContact CE3-CD 4.48Å; W206-K213 HydrophobicContact CE3-CG 3.84Å; W206-K213 HydrophobicContact CG-CD 3.99Å; W206-K213 HydrophobicContact CG-CG 3.7Å; K213-F215 HydrophobicContact CD-CE2 3.83Å; K213-F215 HydrophobicContact CD-CZ 3.96Å; K213-F215 HydrophobicContact CG-CE2 3.92Å; K213-F215 HydrophobicContact CG-CZ 4.35Å; K213-D256 IonicContact NZ-OD1 2.64Å; K213-D256 PolarHBondContact NZ-OD1 3.4Å; K213-D256 IonicContact NZ-OD2 3.93Å; K213-D256 PolarHBondContact NZ-OD2 3.07Å
214	Y	97.5	Very high	97.1	Very high	140 Å²	140	73.5 Å²	73.5	55%	0.549	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.8	175.6	-71.2	-86.3	0	0	0	110	W206 Q207 V212	W206-Y214 CarbonylContact C-O 3.54Å; W206-Y214 VanDerWaalsContact CA-O 3.24Å; W206-Y214 WeakPolarHBondContact CA-O 3.39Å; Q207-Y214 PolarHBondContact N-O 2.91Å; Q207-Y214 PolarHBondContact O-N 3.14Å; V212-Y214 HydrophobicContact CB-CD2 4.35Å; V212-Y214 HydrophobicContact CB-CE2 3.72Å; V212-Y214 HydrophobicContact CG1-CD2 4.31Å; V212-Y214 HydrophobicContact CG1-CE2 3.8Å; V212-Y214 WeakPolarHBondContact O-CD2 3.32Å
215	F	98.1	Very high	97.1	Very high	41 Å²	41	66.8 Å²	66.8	18%	0.18	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.9	175.7	-70.6	-99.3	0	0	0	110.8	Y132 G205 W206 K213 D256 P260 L261	Y132-F215 HydrophobicContact CE1-CD1 4.42Å; Y132-F215 HydrophobicContact CE1-CE1 4.29Å; G205-F215 CarbonylContact O-C 3.56Å; G205-F215 WeakPolarHBondContact O-CA 3.12Å; W206-F215 HydrophobicContact CB-CD1 3.8Å; W206-F215 HydrophobicContact CB-CD2 4.16Å; W206-F215 HydrophobicContact CB-CE1 3.78Å; W206-F215 HydrophobicContact CB-CE2 4.13Å; W206-F215 HydrophobicContact CB-CG 4.01Å; W206-F215 HydrophobicContact CB-CZ 3.95Å; W206-F215 AromaticContact CD1-CE1 3.87Å; W206-F215 HydrophobicContact CG-CE1 4.21Å; W206-F215 HydrophobicContact CG-CZ 4.28Å; K213-F215 HydrophobicContact CD-CE2 3.83Å; K213-F215 HydrophobicContact CD-CZ 3.96Å; K213-F215 HydrophobicContact CG-CE2 3.92Å; K213-F215 HydrophobicContact CG-CZ 4.35Å; F215-D256 HydrophobicContact CE1-CB 4.24Å; F215-D256 HydrophobicContact CZ-CB 4.3Å; F215-P260 HydrophobicContact CD1-CG 4.5Å; F215-P260 HydrophobicContact CD2-CG 3.66Å; F215-P260 HydrophobicContact CE2-CG 3.86Å; F215-P260 HydrophobicContact CG-CG 4Å; F215-P260 HydrophobicContact CZ-CG 4.37Å; F215-L261 HydrophobicContact CB-CD1 3.84Å; F215-L261 HydrophobicContact CB-CG 4Å; F215-L261 WeakPolarHBondContact O-CD1 3.34Å
216	A	98.1	Very high	97.2	Very high	9 Å²	9	66.8 Å²	66.8	7%	0.074	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-79.7	135.1	173.4	0	0	0	0	0	110.8	N203 R204 G205	N203-A216 PolarHBondContact ND2-O 3.13Å; R204-A216 HydrophobicContact CB-CB 3.97Å; G205-A216 PolarHBondContact O-N 3.24Å
217	P	98.3	Very high	97.2	Very high	97 Å²	97	63 Å²	63	63%	0.63	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-64.4	152.6	172.7	29.1	-34.5	0	0	0	110.6	N203	N203-P217 PolarHBondContact ND2-O 2.88Å; N203-P217 VanDerWaalsContact ND2-O 3.1Å
218	F	98.7	Very high	97.4	Very high	21 Å²	21	61.1 Å²	61.1	9%	0.092	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-85.5	133.2	173.3	-69.7	-100.3	0	0	0	109.9	L201 N203 Q222 I223 P258 F262	L201-F218 HydrophobicContact CB-CE1 4.01Å; L201-F218 HydrophobicContact CD1-CD1 3.98Å; L201-F218 HydrophobicContact CD1-CE1 3.6Å; L201-F218 HydrophobicContact CG-CE1 4.46Å; N203-F218 HydrophobicContact CB-CD1 4.31Å; N203-F218 HydrophobicContact CB-CE1 3.86Å; N203-F218 HydrophobicContact CB-CZ 4.26Å; F218-Q222 VanDerWaalsContact CD1-OE1 3.29Å; F218-I223 HydrophobicContact CB-CD1 3.82Å; F218-I223 HydrophobicContact CB-CG1 4.02Å; F218-I223 HydrophobicContact CD1-CD1 4.33Å; F218-I223 HydrophobicContact CG-CD1 4.26Å; F218-P258 VanDerWaalsContact CE2-O 3.31Å; F218-P258 WeakPolarHBondContact CE2-O 3.49Å; F218-P258 HydrophobicContact CZ-CB 3.9Å; F218-P258 VanDerWaalsContact CZ-O 3.23Å; F218-P258 WeakPolarHBondContact CZ-O 3.48Å; F218-F262 HydrophobicContact CD1-CD2 4.07Å; F218-F262 HydrophobicContact CD2-CB 4.25Å; F218-F262 HydrophobicContact CD2-CD2 4.25Å; F218-F262 AromaticContact CE1-CD2 3.88Å; F218-F262 HydrophobicContact CE1-CD2 3.88Å; F218-F262 HydrophobicContact CE2-CB 3.77Å; F218-F262 HydrophobicContact CE2-CD2 4.05Å; F218-F262 HydrophobicContact CE2-CG 4.43Å; F218-F262 HydrophobicContact CG-CD2 4.28Å; F218-F262 HydrophobicContact CZ-CB 4.2Å; F218-F262 AromaticContact CZ-CD2 3.87Å; F218-F262 HydrophobicContact CZ-CD2 3.87Å
219	E	98.6	Very high	97.6	Very high	98 Å²	98	55.2 Å²	55.2	46%	0.458	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-62.8	133.1	176.7	-73.1	-65.7	163.1	0	0	110.4	A157 V158 A221 Q222 I223	A157-E219 HydrophobicContact CB-CG 4.3Å; A157-E219 WeakPolarHBondContact O-CB 3.47Å; V158-E219 HydrophobicContact CG2-CB 4.36Å; V158-E219 HydrophobicContact CG2-CG 4Å; E219-A221 PolarHBondContact O-N 2.81Å; E219-A221 VanDerWaalsContact O-N 3.11Å; E219-Q222 HydrophobicContact CB-CB 4.32Å; E219-Q222 WeakPolarHBondContact O-CB 3.49Å; E219-Q222 PolarHBondContact O-N 3.19Å; E219-I223 PolarHBondContact O-N 2.98Å
220	P	98.6	Very high	97.8	Very high	93 Å²	93	51.8 Å²	51.8	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-55.9	-32.7	178	-27.3	35	0	0	0	113	I223 Q224	P220-I223 PolarHBondContact O-N 3.34Å; P220-Q224 WeakPolarHBondContact O-CB 3.31Å; P220-Q224 VanDerWaalsContact O-CG 3.25Å; P220-Q224 WeakPolarHBondContact O-CG 3.43Å; P220-Q224 PolarHBondContact O-N 3.15Å
221	A	98.6	Very high	98	Very high	42 Å²	42	50.6 Å²	50.6	35%	0.347	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-38.4	177	0	0	0	0	0	112.8	V158 E219 A225	V158-A221 HydrophobicContact CG1-CB 4.1Å; E219-A221 PolarHBondContact O-N 2.81Å; E219-A221 VanDerWaalsContact O-N 3.11Å; A221-A225 PolarHBondContact O-N 2.95Å; A221-A225 VanDerWaalsContact O-N 3.15Å
222	Q	98.8	Very high	98.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-48.2	175.2	-170.2	173.1	53.6	0	0	111	V155 P156 A157 L201 E202 F218 E219 Q224 A225 L226	V155-Q222 HydrophobicContact CB-CG 4.37Å; V155-Q222 HydrophobicContact CG1-CG 3.78Å; V155-Q222 PolarHBondContact O-NE2 3.41Å; P156-Q222 WeakPolarHBondContact O-CG 3.25Å; P156-Q222 PolarHBondContact O-NE2 3.25Å; A157-Q222 WeakPolarHBondContact O-CB 3.36Å; L201-Q222 HydrophobicContact CD2-CG 4.29Å; E202-Q222 VanDerWaalsContact N-NE2 3.16Å; E202-Q222 PolarHBondContact O-NE2 3.49Å; F218-Q222 VanDerWaalsContact CD1-OE1 3.29Å; E219-Q222 HydrophobicContact CB-CB 4.32Å; E219-Q222 WeakPolarHBondContact O-CB 3.49Å; E219-Q222 PolarHBondContact O-N 3.19Å; Q222-Q224 VanDerWaalsContact C-N 3.33Å; Q222-Q224 PolarHBondContact O-N 3.45Å; Q222-A225 WeakPolarHBondContact O-CB 3.29Å; Q222-A225 PolarHBondContact O-N 2.87Å; Q222-A225 VanDerWaalsContact O-N 3.1Å; Q222-L226 WeakPolarHBondContact O-CB 3.19Å; Q222-L226 PolarHBondContact O-N 3.21Å
223	I	98.8	Very high	98.4	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-40.7	-180	-58.4	-58.5	0	0	0	111.1	F218 E219 P220 A225 L226 I227 F262 P263 L267	F218-I223 HydrophobicContact CB-CD1 3.82Å; F218-I223 HydrophobicContact CB-CG1 4.02Å; F218-I223 HydrophobicContact CD1-CD1 4.33Å; F218-I223 HydrophobicContact CG-CD1 4.26Å; E219-I223 PolarHBondContact O-N 2.98Å; P220-I223 PolarHBondContact O-N 3.34Å; I223-A225 VanDerWaalsContact C-N 3.29Å; I223-A225 PolarHBondContact O-N 2.99Å; I223-L226 PolarHBondContact O-N 3.25Å; I223-I227 HydrophobicContact CG2-CD1 4.2Å; I223-I227 WeakPolarHBondContact O-CG1 3.46Å; I223-I227 PolarHBondContact O-N 3.25Å; I223-F262 HydrophobicContact CD1-CD2 4.37Å; I223-F262 HydrophobicContact CD1-CE2 3.96Å; I223-P263 HydrophobicContact CD1-CG 3.7Å; I223-P263 HydrophobicContact CG1-CG 3.89Å; I223-P263 HydrophobicContact CG2-CG 4.05Å; I223-L267 HydrophobicContact CG2-CD1 4.45Å
224	Q	98.6	Very high	98.6	Very high	116 Å²	116	45.8 Å²	45.8	54%	0.542	24%	0.242	S	C	.	.	H	α-helix	trans	-67	-27.2	175.8	-69.2	-63.8	-10.1	0	0	113.5	P220 Q222 P228	P220-Q224 WeakPolarHBondContact O-CB 3.31Å; P220-Q224 VanDerWaalsContact O-CG 3.25Å; P220-Q224 WeakPolarHBondContact O-CG 3.43Å; P220-Q224 PolarHBondContact O-N 3.15Å; Q222-Q224 VanDerWaalsContact C-N 3.33Å; Q222-Q224 PolarHBondContact O-N 3.45Å; Q224-P228 WeakPolarHBondContact O-CD 3.35Å
225	A	98.8	Very high	98.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-77.7	-37	172.1	0	0	0	0	0	112.1	V155 P159 P166 I168 A221 Q222 I223 P228	V155-A225 HydrophobicContact CG1-CB 4.25Å; P159-A225 HydrophobicContact CB-CB 4.39Å; P159-A225 HydrophobicContact CG-CB 3.81Å; P166-A225 HydrophobicContact CB-CB 3.7Å; P166-A225 HydrophobicContact CG-CB 3.7Å; I168-A225 HydrophobicContact CD1-CB 4.18Å; I168-A225 WeakPolarHBondContact CD1-O 3.01Å; I168-A225 HydrophobicContact CG1-CB 4.47Å; A221-A225 PolarHBondContact O-N 2.95Å; A221-A225 VanDerWaalsContact O-N 3.15Å; Q222-A225 WeakPolarHBondContact O-CB 3.29Å; Q222-A225 PolarHBondContact O-N 2.87Å; Q222-A225 VanDerWaalsContact O-N 3.1Å; I223-A225 VanDerWaalsContact C-N 3.29Å; I223-A225 PolarHBondContact O-N 2.99Å; A225-P228 WeakPolarHBondContact O-CD 3.11Å; A225-P228 WeakPolarHBondContact O-CG 3.39Å
226	L	98.8	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-40.3	178.2	177.9	60.4	0	0	0	112.7	I199 L201 Q222 I223 L229 A230 F262 L267	I199-L226 HydrophobicContact CD1-CD1 3.75Å; I199-L226 HydrophobicContact CG2-CD1 3.98Å; L201-L226 HydrophobicContact CD1-CD2 4.12Å; L201-L226 HydrophobicContact CD2-CD1 4.4Å; L201-L226 HydrophobicContact CD2-CD2 4.22Å; Q222-L226 WeakPolarHBondContact O-CB 3.19Å; Q222-L226 PolarHBondContact O-N 3.21Å; I223-L226 PolarHBondContact O-N 3.25Å; L226-L229 PolarHBondContact O-N 2.89Å; L226-A230 WeakPolarHBondContact O-CB 3.47Å; L226-A230 PolarHBondContact O-N 3.42Å; L226-F262 HydrophobicContact CD2-CE2 3.8Å; L226-F262 HydrophobicContact CD2-CZ 3.67Å; L226-L267 HydrophobicContact CD2-CD2 4.08Å; L226-L267 HydrophobicContact CG-CD2 4.49Å
227	I	98.8	Very high	98.6	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-52.9	-55.7	-176.8	-73.6	161.5	0	0	0	113.4	I223 A230 K231 Q270 I272	I223-I227 HydrophobicContact CG2-CD1 4.2Å; I223-I227 WeakPolarHBondContact O-CG1 3.46Å; I223-I227 PolarHBondContact O-N 3.25Å; I227-A230 PolarHBondContact O-N 3.06Å; I227-K231 HydrophobicContact CG2-CD 4.23Å; I227-K231 WeakPolarHBondContact O-CB 3.29Å; I227-K231 WeakPolarHBondContact O-CG 3.23Å; I227-K231 PolarHBondContact O-N 3.48Å; I227-Q270 HydrophobicContact CD1-CG 4.16Å; I227-Q270 HydrophobicContact CG2-CB 4.33Å; I227-Q270 HydrophobicContact CG2-CG 4.4Å; I227-I272 HydrophobicContact CB-CD1 4.16Å; I227-I272 HydrophobicContact CG1-CD1 4.12Å; I227-I272 HydrophobicContact CG2-CD1 3.99Å
228	P	98.6	Very high	98.6	Very high	60 Å²	60	50.4 Å²	50.4	39%	0.39	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-38.9	179	24.4	-33.5	0	0	0	112.4	Q224 A225 A230 K231 D232	Q224-P228 WeakPolarHBondContact O-CD 3.35Å; A225-P228 WeakPolarHBondContact O-CD 3.11Å; A225-P228 WeakPolarHBondContact O-CG 3.39Å; P228-A230 PolarHBondContact O-N 2.96Å; P228-K231 PolarHBondContact O-N 3.01Å; P228-D232 PolarHBondContact O-N 2.88Å
229	L	98.8	Very high	98.6	Very high	21 Å²	21	49.9 Å²	49.9	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-50.1	176	173.3	62.4	0	0	0	111.7	Y153 V155 I168 I199 L226 K231 D232 I233	Y153-L229 HydrophobicContact CD1-CD1 4.14Å; Y153-L229 HydrophobicContact CD1-CD2 4.17Å; Y153-L229 HydrophobicContact CD2-CD1 4.38Å; Y153-L229 HydrophobicContact CD2-CD2 4.31Å; Y153-L229 HydrophobicContact CE1-CD1 3.89Å; Y153-L229 HydrophobicContact CE2-CD1 4.15Å; Y153-L229 HydrophobicContact CG-CD1 4.36Å; Y153-L229 HydrophobicContact CG-CD2 3.93Å; V155-L229 HydrophobicContact CG2-CD2 4.45Å; I168-L229 HydrophobicContact CD1-CB 3.98Å; I168-L229 HydrophobicContact CD1-CD2 3.77Å; I168-L229 HydrophobicContact CD1-CG 4.44Å; I168-L229 HydrophobicContact CG2-CD2 4.04Å; I199-L229 HydrophobicContact CD1-CD2 3.86Å; I199-L229 HydrophobicContact CD1-CG 4.18Å; L226-L229 PolarHBondContact O-N 2.89Å; L229-K231 VanDerWaalsContact C-N 3.35Å; L229-K231 PolarHBondContact O-N 3.31Å; L229-D232 PolarHBondContact O-N 3.27Å; L229-I233 HydrophobicContact CD1-CD1 3.73Å; L229-I233 HydrophobicContact CD1-CG1 4.25Å; L229-I233 HydrophobicContact CG-CD1 3.82Å; L229-I233 WeakPolarHBondContact O-CD1 3.2Å; L229-I233 WeakPolarHBondContact O-CG1 3.39Å; L229-I233 PolarHBondContact O-N 2.98Å
230	A	98.8	Very high	98.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-41	179.5	0	0	0	0	0	111.4	L128 L226 I227 P228 D232 I233 I234 I272	L128-A230 HydrophobicContact CD2-CB 4.09Å; L226-A230 WeakPolarHBondContact O-CB 3.47Å; L226-A230 PolarHBondContact O-N 3.42Å; I227-A230 PolarHBondContact O-N 3.06Å; P228-A230 PolarHBondContact O-N 2.96Å; A230-D232 PolarHBondContact O-N 3.31Å; A230-I233 PolarHBondContact O-N 2.87Å; A230-I234 VanDerWaalsContact O-CB 3.3Å; A230-I234 WeakPolarHBondContact O-CB 3.14Å; A230-I234 WeakPolarHBondContact O-CD1 3.44Å; A230-I234 WeakPolarHBondContact O-CG1 3.49Å; A230-I234 PolarHBondContact O-N 3.31Å; A230-I272 HydrophobicContact CB-CD1 4.03Å; A230-I272 HydrophobicContact CB-CG1 4.26Å; A230-I272 HydrophobicContact CB-CG2 3.94Å
231	K	98.8	Very high	98.6	Very high	81 Å²	81	50.1 Å²	50.1	35%	0.352	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-45.3	174.2	-79.7	177.8	174	-179.4	0	112.2	I227 P228 L229 I234 A235 Q270 I272	I227-K231 HydrophobicContact CG2-CD 4.23Å; I227-K231 WeakPolarHBondContact O-CB 3.29Å; I227-K231 WeakPolarHBondContact O-CG 3.23Å; I227-K231 PolarHBondContact O-N 3.48Å; P228-K231 PolarHBondContact O-N 3.01Å; L229-K231 VanDerWaalsContact C-N 3.35Å; L229-K231 PolarHBondContact O-N 3.31Å; K231-I234 PolarHBondContact O-N 3.4Å; K231-A235 VanDerWaalsContact O-CB 3.29Å; K231-A235 WeakPolarHBondContact O-CB 3.48Å; K231-A235 PolarHBondContact O-N 2.85Å; K231-Q270 WeakPolarHBondContact CE-O 3.37Å; K231-Q270 PolarHBondContact NZ-O 2.91Å; K231-Q270 VanDerWaalsContact NZ-O 3.17Å; K231-I272 HydrophobicContact CG-CD1 4.05Å; K231-I272 HydrophobicContact CG-CG1 3.99Å
232	D	98.6	Very high	98.5	Very high	96 Å²	96	50.2 Å²	50.2	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-45.4	179.2	-74.2	-7.4	0	0	0	111.3	P228 L229 A230 R236	P228-D232 PolarHBondContact O-N 2.88Å; L229-D232 PolarHBondContact O-N 3.27Å; A230-D232 PolarHBondContact O-N 3.31Å; D232-R236 VanDerWaalsContact O-CB 3.27Å; D232-R236 WeakPolarHBondContact O-CB 3.48Å; D232-R236 PolarHBondContact O-N 3.36Å
233	I	98.7	Very high	98.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-48.8	177.4	-67.2	162.5	0	0	0	110.9	L128 Y153 I197 I199 L229 A230 A235 R236 Y237 I239	L128-I233 HydrophobicContact CD1-CD1 4.28Å; L128-I233 HydrophobicContact CD1-CG2 4.31Å; L128-I233 HydrophobicContact CD2-CG2 4.46Å; Y153-I233 HydrophobicContact CD2-CD1 4.1Å; Y153-I233 HydrophobicContact CE2-CD1 3.69Å; Y153-I233 HydrophobicContact CE2-CG1 4.34Å; I197-I233 HydrophobicContact CD1-CG1 4.48Å; I197-I233 HydrophobicContact CD1-CG2 3.67Å; I197-I233 HydrophobicContact CG2-CD1 4.08Å; I199-I233 HydrophobicContact CD1-CD1 3.91Å; L229-I233 HydrophobicContact CD1-CD1 3.73Å; L229-I233 HydrophobicContact CD1-CG1 4.25Å; L229-I233 HydrophobicContact CG-CD1 3.82Å; L229-I233 WeakPolarHBondContact O-CD1 3.2Å; L229-I233 WeakPolarHBondContact O-CG1 3.39Å; L229-I233 PolarHBondContact O-N 2.98Å; A230-I233 PolarHBondContact O-N 2.87Å; I233-A235 VanDerWaalsContact C-N 3.33Å; I233-A235 PolarHBondContact O-N 3.33Å; I233-R236 PolarHBondContact O-N 3.23Å; I233-Y237 HydrophobicContact CG2-CD2 4.06Å; I233-Y237 HydrophobicContact CG2-CE2 4.49Å; I233-Y237 WeakPolarHBondContact O-CD2 3.15Å; I233-Y237 PolarHBondContact O-N 2.78Å; I233-Y237 VanDerWaalsContact O-N 3.08Å; I233-I239 HydrophobicContact CG2-CD1 3.87Å
234	I	98.6	Very high	98.5	Very high	28 Å²	28	51.5 Å²	51.5	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-44.3	-178.9	-72.1	163.9	0	0	0	110.6	L128 A230 K231 H238 I239 V244 I272	L128-I234 HydrophobicContact CD2-CG1 4.45Å; A230-I234 VanDerWaalsContact O-CB 3.3Å; A230-I234 WeakPolarHBondContact O-CB 3.14Å; A230-I234 WeakPolarHBondContact O-CD1 3.44Å; A230-I234 WeakPolarHBondContact O-CG1 3.49Å; A230-I234 PolarHBondContact O-N 3.31Å; K231-I234 PolarHBondContact O-N 3.4Å; I234-H238 WeakPolarHBondContact O-CA 3.44Å; I234-H238 PolarHBondContact O-N 3.22Å; I234-I239 HydrophobicContact CG1-CB 4.22Å; I234-I239 HydrophobicContact CG2-CB 4.48Å; I234-I239 PolarHBondContact O-N 3.33Å; I234-I239 VanDerWaalsContact O-N 3.1Å; I234-V244 HydrophobicContact CD1-CG2 3.82Å; I234-V244 HydrophobicContact CG1-CG2 4.24Å; I234-I272 HydrophobicContact CD1-CB 4.22Å; I234-I272 HydrophobicContact CD1-CG1 4.17Å; I234-I272 HydrophobicContact CD1-CG2 3.8Å
235	A	98.3	Very high	98.5	Very high	67 Å²	67	46 Å²	46	55%	0.554	23%	0.234	S	C	*	.	H	α-helix	trans	-65.4	-44.7	177.8	0	0	0	0	0	111.9	K231 I233 Y237	K231-A235 VanDerWaalsContact O-CB 3.29Å; K231-A235 WeakPolarHBondContact O-CB 3.48Å; K231-A235 PolarHBondContact O-N 2.85Å; I233-A235 VanDerWaalsContact C-N 3.33Å; I233-A235 PolarHBondContact O-N 3.33Å; A235-Y237 VanDerWaalsContact C-N 3.34Å; A235-Y237 PolarHBondContact O-N 3.32Å
236	R	98.2	Very high	98.5	Very high	119 Å²	119	46.2 Å²	46.2	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-41.6	-178.8	-171.2	-179.7	-57.1	121	8.4	112.5	E174 D232 I233	E174-R236 IonicContact OE1-NH1 3Å; E174-R236 PolarHBondContact OE1-NH1 3.23Å; E174-R236 IonicContact OE2-CZ 3.96Å; E174-R236 IonicContact OE2-NE 3.73Å; E174-R236 IonicContact OE2-NH1 2.93Å; E174-R236 PolarHBondContact OE2-NH1 3.2Å; D232-R236 VanDerWaalsContact O-CB 3.27Å; D232-R236 WeakPolarHBondContact O-CB 3.48Å; D232-R236 PolarHBondContact O-N 3.36Å; I233-R236 PolarHBondContact O-N 3.23Å
237	Y	98.1	Very high	98.5	Very high	43 Å²	43	46.4 Å²	46.4	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-106.3	3.7	-175	-60.1	-64.9	0	0	0	114.4	P123 I125 E174 I197 I233 A235 I239	P123-Y237 HydrophobicContact CB-CD1 4.01Å; P123-Y237 HydrophobicContact CG-CD1 4.46Å; I125-Y237 HydrophobicContact CB-CD1 4.03Å; I125-Y237 HydrophobicContact CB-CD2 4.34Å; I125-Y237 HydrophobicContact CB-CE1 4.31Å; I125-Y237 HydrophobicContact CB-CG 4.01Å; I125-Y237 HydrophobicContact CD1-CD1 4.24Å; I125-Y237 HydrophobicContact CD1-CD2 4.26Å; I125-Y237 HydrophobicContact CD1-CE1 3.68Å; I125-Y237 HydrophobicContact CD1-CE2 3.75Å; I125-Y237 HydrophobicContact CD1-CG 4.48Å; I125-Y237 HydrophobicContact CG1-CE1 4.46Å; I125-Y237 HydrophobicContact CG2-CD2 4.08Å; I125-Y237 HydrophobicContact CG2-CG 4.1Å; E174-Y237 HydrophobicContact CB-CE2 4.5Å; E174-Y237 WeakPolarHBondContact CB-OH 3.47Å; E174-Y237 WeakPolarHBondContact OE2-CE2 3.29Å; E174-Y237 PolarHBondContact OE2-OH 3.37Å; I197-Y237 HydrophobicContact CD1-CD2 3.9Å; I197-Y237 HydrophobicContact CD1-CE2 3.42Å; I197-Y237 VanDerWaalsContact CD1-CE2 3.42Å; I233-Y237 HydrophobicContact CG2-CD2 4.06Å; I233-Y237 HydrophobicContact CG2-CE2 4.49Å; I233-Y237 WeakPolarHBondContact O-CD2 3.15Å; I233-Y237 PolarHBondContact O-N 2.78Å; I233-Y237 VanDerWaalsContact O-N 3.08Å; A235-Y237 VanDerWaalsContact C-N 3.34Å; A235-Y237 PolarHBondContact O-N 3.32Å; Y237-I239 PolarHBondContact O-N 2.99Å
238	H	97.7	Very high	98.4	Very high	156 Å²	156	47 Å²	47	72%	0.722	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.9	-176.8	-55	76.3	0	0	0	111.9	I234 K240	I234-H238 WeakPolarHBondContact O-CA 3.44Å; I234-H238 PolarHBondContact O-N 3.22Å; H238-K240 PolarHBondContact O-N 3.02Å
239	I	98.6	Very high	98.3	Very high	9 Å²	9	47 Å²	47	5%	0.046	24%	0.24	C	C	.	.			trans	-66.6	128.3	-177.9	-62.8	179.3	0	0	0	108.7	I125 L128 I233 I234 Y237 N243 V244	I125-I239 HydrophobicContact CG2-CD1 4.27Å; L128-I239 HydrophobicContact CB-CD1 4.12Å; I233-I239 HydrophobicContact CG2-CD1 3.87Å; I234-I239 HydrophobicContact CG1-CB 4.22Å; I234-I239 HydrophobicContact CG2-CB 4.48Å; I234-I239 PolarHBondContact O-N 3.33Å; I234-I239 VanDerWaalsContact O-N 3.1Å; Y237-I239 PolarHBondContact O-N 2.99Å; I239-N243 HydrophobicContact CG2-CB 3.85Å; I239-V244 HydrophobicContact CG2-CG2 4.25Å
240	K	98.3	Very high	98.2	Very high	126 Å²	126	46 Å²	46	55%	0.548	24%	0.235	S	C	.	.			trans	-71.6	149.3	177.4	-59.8	-174.7	-179.7	-178.9	0	110.7	H238 E242 N243	H238-K240 PolarHBondContact O-N 3.02Å; K240-E242 VanDerWaalsContact C-N 3.26Å; K240-E242 WeakPolarHBondContact CB-OE2 3.47Å; K240-E242 VanDerWaalsContact CD-OE1 3.29Å; K240-E242 WeakPolarHBondContact CD-OE1 3.31Å; K240-E242 PolarHBondContact O-N 3.46Å; K240-N243 WeakPolarHBondContact O-CB 3.33Å; K240-N243 PolarHBondContact O-N 3.2Å
241	P	98.4	Very high	98	Very high	70 Å²	70	46.2 Å²	46.2	46%	0.455	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-53.9	-39.5	-178.6	-27.7	36	0	0	0	114	N243 V244 G273 A274	P241-N243 PolarHBondContact O-N 3.06Å; P241-N243 VanDerWaalsContact O-N 3.13Å; P241-V244 PolarHBondContact O-N 2.98Å; P241-G273 CarbonylContact O-C 3.54Å; P241-G273 VanDerWaalsContact O-CA 3.31Å; P241-G273 WeakPolarHBondContact O-CA 3.23Å; P241-A274 HydrophobicContact CB-CB 4.26Å; P241-A274 PolarHBondContact O-N 3.01Å
242	E	97.8	Very high	97.8	Very high	45 Å²	45	45.1 Å²	45.1	21%	0.21	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-70.2	-2.7	177.6	70.8	-87.1	-159.3	0	0	114.4	W186 R187 K240 A274 Y306	W186-E242 WeakPolarHBondContact CZ2-O 3.47Å; W186-E242 PolarHBondContact NE1-O 2.92Å; W186-E242 VanDerWaalsContact NE1-O 3.13Å; R187-E242 IonicContact NH2-OE1 3.94Å; K240-E242 VanDerWaalsContact C-N 3.26Å; K240-E242 WeakPolarHBondContact CB-OE2 3.47Å; K240-E242 VanDerWaalsContact CD-OE1 3.29Å; K240-E242 WeakPolarHBondContact CD-OE1 3.31Å; K240-E242 PolarHBondContact O-N 3.46Å; E242-A274 HydrophobicContact CB-CB 4.46Å; E242-Y306 HydrophobicContact CB-CE2 4.42Å
243	N	98.4	Very high	97.5	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.123	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-109	14.1	176.7	-72	-9.9	0	0	0	112.4	K126 V127 L128 W186 I239 K240 P241	K126-N243 WeakPolarHBondContact O-CB 3.27Å; K126-N243 PolarHBondContact O-ND2 2.63Å; V127-N243 CarbonylContact C-O 3.08Å; V127-N243 WeakPolarHBondContact CA-O 3.27Å; V127-N243 WeakPolarHBondContact CG1-O 3.5Å; V127-N243 HydrophobicContact CG2-CB 4.18Å; L128-N243 PolarHBondContact N-O 2.85Å; W186-N243 PolarHBondContact NE1-OD1 3.24Å; I239-N243 HydrophobicContact CG2-CB 3.85Å; K240-N243 WeakPolarHBondContact O-CB 3.33Å; K240-N243 PolarHBondContact O-N 3.2Å; P241-N243 PolarHBondContact O-N 3.06Å; P241-N243 VanDerWaalsContact O-N 3.13Å
244	V	98.7	Very high	97.3	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108.9	162.7	-170.1	0	0	0	0	107	L128 I234 I239 P241 W264 I272	L128-V244 HydrophobicContact CB-CG1 4.34Å; L128-V244 HydrophobicContact CB-CG2 4.43Å; L128-V244 HydrophobicContact CD2-CG1 4.16Å; L128-V244 HydrophobicContact CG-CG1 4.33Å; L128-V244 WeakPolarHBondContact O-CA 3.45Å; I234-V244 HydrophobicContact CD1-CG2 3.82Å; I234-V244 HydrophobicContact CG1-CG2 4.24Å; I239-V244 HydrophobicContact CG2-CG2 4.25Å; P241-V244 PolarHBondContact O-N 2.98Å; V244-W264 HydrophobicContact CG1-CZ3 4.04Å; V244-I272 HydrophobicContact CG1-CG2 4.16Å
245	V	98.6	Very high	97.2	Very high	2 Å²	2	54 Å²	54	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.1	-160.9	-62.9	0	0	0	0	112.1	V127 L128 V129 I130 W186 D249 I250	V127-V245 HydrophobicContact CG1-CG2 3.69Å; L128-V245 PolarHBondContact O-N 3.27Å; V129-V245 WeakPolarHBondContact CA-O 3.46Å; V129-V245 HydrophobicContact CB-CG2 4.4Å; V129-V245 HydrophobicContact CG1-CG2 4.41Å; V129-V245 HydrophobicContact CG2-CG2 3.95Å; I130-V245 PolarHBondContact N-O 2.96Å; W186-V245 HydrophobicContact CD2-CG1 4.02Å; W186-V245 VanDerWaalsContact CE2-CG1 3.44Å; W186-V245 HydrophobicContact CH2-CG1 4.03Å; W186-V245 HydrophobicContact CZ2-CG1 3.47Å; W186-V245 VanDerWaalsContact CZ2-CG1 3.47Å; V245-D249 HydrophobicContact CB-CB 4.11Å; V245-I250 HydrophobicContact CB-CG2 4.36Å; V245-I250 HydrophobicContact CG2-CG2 3.7Å
246	A	98.6	Very high	97.2	Very high	5 Å²	5	54 Å²	54	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	157.2	164.2	0	0	0	0	0	110.8	A248 D249 D257 W264	A246-A248 HydrophobicContact CB-CB 4.15Å; A246-A248 PolarHBondContact O-N 3.42Å; A246-D249 HydrophobicContact CB-CB 4.24Å; A246-D249 VanDerWaalsContact CB-OD2 3.3Å; A246-D249 WeakPolarHBondContact CB-OD2 3.42Å; A246-D249 PolarHBondContact N-OD2 3.43Å; A246-D249 WeakPolarHBondContact O-CB 3.26Å; A246-D249 PolarHBondContact O-N 3.07Å; A246-D257 WeakPolarHBondContact CB-O 3.16Å; A246-W264 HydrophobicContact CB-CZ2 3.94Å
247	H	98.3	Very high	97.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-33.9	163.9	-162.2	170.8	0	0	0	111.3	V129 I130 H131 H180 A181 D249 I250 A251 K255 D257	V129-H247 HydrophobicContact CG1-CB 4.24Å; I130-H247 PolarHBondContact O-N 3.03Å; H131-H247 AromaticContact CE1-CE1 3.63Å; H131-H247 AromaticContact CE1-CG 3.56Å; H131-H247 AromaticContact CE1-ND1 3.29Å; H131-H247 PolarHBondContact CE1-ND1 3.13Å; H131-H247 VanDerWaalsContact CE1-ND1 3.29Å; H131-H247 AromaticContact ND1-CE1 3.53Å; H131-H247 AromaticContact ND1-CG 3.42Å; H131-H247 AromaticContact ND1-ND1 2.87Å; H131-H247 PolarHBondContact ND1-ND1 3.15Å; H180-H247 PolarHBondContact O-CE1 3.27Å; H180-H247 PolarHBondContact O-NE2 3.02Å; A181-H247 PolarHBondContact O-NE2 2.78Å; H247-D249 VanDerWaalsContact C-N 3.25Å; H247-D249 PolarHBondContact O-N 2.99Å; H247-I250 WeakPolarHBondContact O-CG1 3.5Å; H247-I250 PolarHBondContact O-N 2.79Å; H247-A251 WeakPolarHBondContact O-CB 3.21Å; H247-A251 PolarHBondContact O-N 3.2Å; H247-K255 HydrophobicContact CB-CB 4.31Å; H247-D257 VanDerWaalsContact CB-CG 3.49Å; H247-D257 WeakPolarHBondContact CB-O 3.15Å; H247-D257 WeakPolarHBondContact CB-OD2 3.43Å; H247-D257 IonicContact CG-OD1 2.93Å; H247-D257 IonicContact CG-OD2 2.62Å; H247-D257 PolarHBondContact N-O 3.1Å; H247-D257 IonicContact ND1-OD1 3.39Å; H247-D257 IonicContact ND1-OD2 2.96Å; H247-D257 PolarHBondContact ND1-OD2 3.29Å
248	A	97.2	Very high	97.2	Very high	24 Å²	24	46.7 Å²	46.7	20%	0.198	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-34.4	172.3	0	0	0	0	0	112.7	A246 I250 A251 P252 K255 D257	A246-A248 HydrophobicContact CB-CB 4.15Å; A246-A248 PolarHBondContact O-N 3.42Å; A248-I250 VanDerWaalsContact C-N 3.3Å; A248-I250 PolarHBondContact O-N 3Å; A248-A251 CarbonylContact O-C 3.49Å; A248-A251 PolarHBondContact O-N 2.91Å; A248-P252 WeakPolarHBondContact O-CA 3.39Å; A248-P252 WeakPolarHBondContact O-CB 3.21Å; A248-P252 WeakPolarHBondContact O-CD 3.28Å; A248-K255 WeakPolarHBondContact CA-O 3.3Å; A248-K255 WeakPolarHBondContact CB-O 3.48Å; A248-D257 PolarHBondContact N-O 3.03Å
249	D	97	Very high	97.2	Very high	60 Å²	60	39.8 Å²	39.8	32%	0.321	20%	0.204	S	C	.	.	H	α-helix	trans	-70.1	-28.5	179.4	-61	-24.3	0	0	0	111.8	W186 V245 A246 H247 F309	W186-D249 HydrophobicContact CE3-CB 4.28Å; W186-D249 HydrophobicContact CH2-CB 4.19Å; W186-D249 HydrophobicContact CZ3-CB 3.7Å; W186-D249 WeakPolarHBondContact CZ3-O 3.45Å; V245-D249 HydrophobicContact CB-CB 4.11Å; A246-D249 HydrophobicContact CB-CB 4.24Å; A246-D249 VanDerWaalsContact CB-OD2 3.3Å; A246-D249 WeakPolarHBondContact CB-OD2 3.42Å; A246-D249 PolarHBondContact N-OD2 3.43Å; A246-D249 WeakPolarHBondContact O-CB 3.26Å; A246-D249 PolarHBondContact O-N 3.07Å; H247-D249 VanDerWaalsContact C-N 3.25Å; H247-D249 PolarHBondContact O-N 2.99Å; D249-F309 VanDerWaalsContact O-CE2 3.25Å; D249-F309 WeakPolarHBondContact O-CE2 3.48Å
250	I	96.5	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-100.5	-8	-179.8	72.1	176.1	0	0	0	113.4	V129 A181 S184 A185 W186 L192 V245 H247 A248	V129-I250 HydrophobicContact CB-CD1 4.5Å; V129-I250 HydrophobicContact CG1-CD1 3.78Å; V129-I250 HydrophobicContact CG2-CD1 3.87Å; A181-I250 HydrophobicContact CB-CD1 3.61Å; S184-I250 VanDerWaalsContact CA-O 3.23Å; S184-I250 WeakPolarHBondContact CA-O 3.1Å; A185-I250 PolarHBondContact N-O 3.02Å; A185-I250 WeakPolarHBondContact O-CA 3.4Å; W186-I250 HydrophobicContact CB-CG2 3.9Å; W186-I250 HydrophobicContact CD2-CG2 4.27Å; W186-I250 HydrophobicContact CE3-CG2 4.14Å; W186-I250 HydrophobicContact CG-CG2 4.19Å; L192-I250 HydrophobicContact CB-CD1 4.17Å; L192-I250 HydrophobicContact CG-CD1 4.45Å; V245-I250 HydrophobicContact CB-CG2 4.36Å; V245-I250 HydrophobicContact CG2-CG2 3.7Å; H247-I250 WeakPolarHBondContact O-CG1 3.5Å; H247-I250 PolarHBondContact O-N 2.79Å; A248-I250 VanDerWaalsContact C-N 3.3Å; A248-I250 PolarHBondContact O-N 3Å
251	A	95.7	Very high	97.1	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	23%	0.227	C	C	.	.			trans	-151.9	55.3	-176.8	0	0	0	0	0	113	H247 A248 Q253 R254 K255	H247-A251 WeakPolarHBondContact O-CB 3.21Å; H247-A251 PolarHBondContact O-N 3.2Å; A248-A251 CarbonylContact O-C 3.49Å; A248-A251 PolarHBondContact O-N 2.91Å; A251-Q253 PolarHBondContact O-N 3.26Å; A251-Q253 VanDerWaalsContact O-N 3.12Å; A251-R254 HydrophobicContact CB-CB 4.49Å; A251-R254 PolarHBondContact O-N 3.47Å; A251-K255 HydrophobicContact CB-CB 4.24Å; A251-K255 HydrophobicContact CB-CG 4.05Å; A251-K255 PolarHBondContact O-N 2.93Å
252	P	93.9	Very high	97.2	Very high	57 Å²	57	39.1 Å²	39.1	37%	0.37	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.6	-168	24.8	-34.8	0	0	0	113.6	A248 R254 F309	A248-P252 WeakPolarHBondContact O-CA 3.39Å; A248-P252 WeakPolarHBondContact O-CB 3.21Å; A248-P252 WeakPolarHBondContact O-CD 3.28Å; P252-R254 VanDerWaalsContact C-N 3.28Å; P252-R254 PolarHBondContact O-N 2.93Å; P252-F309 VanDerWaalsContact CD-CE2 3.46Å; P252-F309 HydrophobicContact CG-CD2 4.15Å; P252-F309 HydrophobicContact CG-CE1 4.14Å; P252-F309 HydrophobicContact CG-CE2 3.63Å; P252-F309 HydrophobicContact CG-CZ 3.66Å
253	Q	92.3	Very high	97.2	Very high	125 Å²	125	38.4 Å²	38.4	58%	0.584	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.3	178	-60	-60.2	-20.4	0	0	113.9	A251 V313	A251-Q253 PolarHBondContact O-N 3.26Å; A251-Q253 VanDerWaalsContact O-N 3.12Å; Q253-V313 HydrophobicContact CG-CG1 4.48Å; Q253-V313 VanDerWaalsContact CG-O 3.25Å; Q253-V313 WeakPolarHBondContact CG-O 3.29Å; Q253-V313 PolarHBondContact NE2-O 2.64Å
254	R	95.2	Very high	97.2	Very high	109 Å²	109	39.8 Å²	39.8	41%	0.411	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-25.4	-171.7	-59.9	-172.3	-60.4	92.8	-3.2	114.1	A181 I183 A251 P252	A181-R254 PolarHBondContact O-NH2 3.35Å; I183-R254 PolarHBondContact O-NE 2.96Å; I183-R254 PolarHBondContact O-NH2 2.88Å; A251-R254 HydrophobicContact CB-CB 4.49Å; A251-R254 PolarHBondContact O-N 3.47Å; P252-R254 VanDerWaalsContact C-N 3.28Å; P252-R254 PolarHBondContact O-N 2.93Å
255	K	96.2	Very high	97.2	Very high	78 Å²	78	44 Å²	44	34%	0.339	23%	0.229	S	C	.	.			trans	-136.9	143	-162	-66	-66.8	-175.5	167.9	0	110.9	H247 A248 A251 D257	H247-K255 HydrophobicContact CB-CB 4.31Å; A248-K255 WeakPolarHBondContact CA-O 3.3Å; A248-K255 WeakPolarHBondContact CB-O 3.48Å; A251-K255 HydrophobicContact CB-CB 4.24Å; A251-K255 HydrophobicContact CB-CG 4.05Å; A251-K255 PolarHBondContact O-N 2.93Å; K255-D257 WeakPolarHBondContact CB-OD1 3.36Å; K255-D257 WeakPolarHBondContact CD-OD1 3.24Å
256	D	97.1	Very high	97.2	Very high	65 Å²	65	47.8 Å²	47.8	35%	0.348	25%	0.247	S	C	.	.			trans	-115.7	-9.2	178.6	-64.8	-71.3	0	0	0	111.8	W206 K213 F215 G259	W206-D256 PolarHBondContact NE1-OD2 2.86Å; W206-D256 VanDerWaalsContact NE1-OD2 3.16Å; K213-D256 IonicContact NZ-OD1 2.64Å; K213-D256 PolarHBondContact NZ-OD1 3.4Å; K213-D256 IonicContact NZ-OD2 3.93Å; K213-D256 PolarHBondContact NZ-OD2 3.07Å; F215-D256 HydrophobicContact CE1-CB 4.24Å; F215-D256 HydrophobicContact CZ-CB 4.3Å; D256-G259 WeakPolarHBondContact O-CA 3.11Å; D256-G259 PolarHBondContact O-N 3.47Å
257	D	97.9	Very high	97.2	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.043	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	142.5	-172.1	46.8	-57.6	0	0	0	113.3	H131 Y132 A246 H247 A248 K255 G259	H131-D257 WeakPolarHBondContact CA-OD2 3.1Å; H131-D257 WeakPolarHBondContact CB-OD2 3.32Å; H131-D257 IonicContact CG-OD2 2.94Å; H131-D257 IonicContact ND1-OD2 3.59Å; H131-D257 PolarHBondContact ND1-OD2 3.1Å; Y132-D257 HydrophobicContact CD1-CB 3.53Å; Y132-D257 HydrophobicContact CD2-CB 3.91Å; Y132-D257 VanDerWaalsContact CE1-CA 3.43Å; Y132-D257 HydrophobicContact CE1-CB 3.49Å; Y132-D257 VanDerWaalsContact CE1-CB 3.49Å; Y132-D257 HydrophobicContact CE2-CB 3.84Å; Y132-D257 HydrophobicContact CG-CB 3.7Å; A246-D257 WeakPolarHBondContact CB-O 3.16Å; H247-D257 VanDerWaalsContact CB-CG 3.49Å; H247-D257 WeakPolarHBondContact CB-O 3.15Å; H247-D257 WeakPolarHBondContact CB-OD2 3.43Å; H247-D257 IonicContact CG-OD1 2.93Å; H247-D257 IonicContact CG-OD2 2.62Å; H247-D257 PolarHBondContact N-O 3.1Å; H247-D257 IonicContact ND1-OD1 3.39Å; H247-D257 IonicContact ND1-OD2 2.96Å; H247-D257 PolarHBondContact ND1-OD2 3.29Å; A248-D257 PolarHBondContact N-O 3.03Å; K255-D257 WeakPolarHBondContact CB-OD1 3.36Å; K255-D257 WeakPolarHBondContact CD-OD1 3.24Å; D257-G259 VanDerWaalsContact C-N 3.33Å
258	P	98.4	Very high	97.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.013	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.5	7.4	5.6	36.6	-35.4	0	0	0	114.1	I130 Y132 F218 F262 W264	I130-P258 HydrophobicContact CB-CG 4.23Å; I130-P258 HydrophobicContact CG2-CB 4.02Å; I130-P258 HydrophobicContact CG2-CG 3.97Å; I130-P258 WeakPolarHBondContact O-CD 3.06Å; Y132-P258 WeakPolarHBondContact CD1-O 3.49Å; F218-P258 VanDerWaalsContact CE2-O 3.31Å; F218-P258 WeakPolarHBondContact CE2-O 3.49Å; F218-P258 HydrophobicContact CZ-CB 3.9Å; F218-P258 VanDerWaalsContact CZ-O 3.23Å; F218-P258 WeakPolarHBondContact CZ-O 3.48Å; P258-F262 HydrophobicContact CB-CB 3.88Å; P258-F262 HydrophobicContact CB-CD2 3.9Å; P258-F262 HydrophobicContact CB-CG 3.88Å; P258-F262 HydrophobicContact CG-CB 3.64Å; P258-F262 HydrophobicContact CG-CD1 3.86Å; P258-F262 HydrophobicContact CG-CD2 4Å; P258-F262 HydrophobicContact CG-CG 3.53Å; P258-W264 HydrophobicContact CG-CZ2 3.88Å
259	G	97.4	Very high	97.3	Very high	11 Å²	11	53.8 Å²	53.8	11%	0.113	27%	0.273	C	S	.	.			trans	83	173.1	174.1	0	0	0	0	0	115.1	D256 D257 L261 F262	D256-G259 WeakPolarHBondContact O-CA 3.11Å; D256-G259 PolarHBondContact O-N 3.47Å; D257-G259 VanDerWaalsContact C-N 3.33Å; G259-L261 PolarHBondContact O-N 2.88Å; G259-F262 WeakPolarHBondContact O-CB 3.47Å; G259-F262 PolarHBondContact O-N 3Å
260	P	97.8	Very high	97.4	Very high	97 Å²	97	55.1 Å²	55.1	63%	0.63	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	-170.2	29.9	-37.1	0	0	0	114.3	F215	F215-P260 HydrophobicContact CD1-CG 4.5Å; F215-P260 HydrophobicContact CD2-CG 3.66Å; F215-P260 HydrophobicContact CE2-CG 3.86Å; F215-P260 HydrophobicContact CG-CG 4Å; F215-P260 HydrophobicContact CZ-CG 4.37Å
261	L	98.5	Very high	97.4	Very high	86 Å²	86	57.9 Å²	57.9	45%	0.45	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.9	177.2	-60.7	-174.4	0	0	0	113.1	F215 G259	F215-L261 HydrophobicContact CB-CD1 3.84Å; F215-L261 HydrophobicContact CB-CG 4Å; F215-L261 WeakPolarHBondContact O-CD1 3.34Å; G259-L261 PolarHBondContact O-N 2.88Å
262	F	98.8	Very high	97.6	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-70.3	128.4	172.9	-174	-97.9	0	0	0	110	I130 L201 F218 I223 L226 P258 G259 W264 L267	I130-F262 HydrophobicContact CG1-CZ 4.49Å; I130-F262 HydrophobicContact CG2-CD2 4.42Å; I130-F262 HydrophobicContact CG2-CE1 4.44Å; I130-F262 HydrophobicContact CG2-CE2 3.87Å; I130-F262 HydrophobicContact CG2-CZ 3.86Å; L201-F262 HydrophobicContact CD1-CD2 3.95Å; L201-F262 HydrophobicContact CD1-CE2 3.45Å; L201-F262 VanDerWaalsContact CD1-CE2 3.45Å; L201-F262 HydrophobicContact CD1-CZ 4.45Å; F218-F262 HydrophobicContact CD1-CD2 4.07Å; F218-F262 HydrophobicContact CD2-CB 4.25Å; F218-F262 HydrophobicContact CD2-CD2 4.25Å; F218-F262 AromaticContact CE1-CD2 3.88Å; F218-F262 HydrophobicContact CE1-CD2 3.88Å; F218-F262 HydrophobicContact CE2-CB 3.77Å; F218-F262 HydrophobicContact CE2-CD2 4.05Å; F218-F262 HydrophobicContact CE2-CG 4.43Å; F218-F262 HydrophobicContact CG-CD2 4.28Å; F218-F262 HydrophobicContact CZ-CB 4.2Å; F218-F262 AromaticContact CZ-CD2 3.87Å; F218-F262 HydrophobicContact CZ-CD2 3.87Å; I223-F262 HydrophobicContact CD1-CD2 4.37Å; I223-F262 HydrophobicContact CD1-CE2 3.96Å; L226-F262 HydrophobicContact CD2-CE2 3.8Å; L226-F262 HydrophobicContact CD2-CZ 3.67Å; P258-F262 HydrophobicContact CB-CB 3.88Å; P258-F262 HydrophobicContact CB-CD2 3.9Å; P258-F262 HydrophobicContact CB-CG 3.88Å; P258-F262 HydrophobicContact CG-CB 3.64Å; P258-F262 HydrophobicContact CG-CD1 3.86Å; P258-F262 HydrophobicContact CG-CD2 4Å; P258-F262 HydrophobicContact CG-CG 3.53Å; G259-F262 WeakPolarHBondContact O-CB 3.47Å; G259-F262 PolarHBondContact O-N 3Å; F262-W264 VanDerWaalsContact C-N 3.27Å; F262-W264 AromaticContact CD1-CD1 3.81Å; F262-W264 AromaticContact CD1-CD2 3.57Å; F262-W264 HydrophobicContact CD1-CD2 3.57Å; F262-W264 AromaticContact CD1-CE2 3.39Å; F262-W264 HydrophobicContact CD1-CE3 4.16Å; F262-W264 AromaticContact CD1-CG 3.83Å; F262-W264 HydrophobicContact CD1-CG 3.83Å; F262-W264 HydrophobicContact CD1-CH2 4.36Å; F262-W264 AromaticContact CD1-CZ2 3.82Å; F262-W264 HydrophobicContact CD1-CZ2 3.82Å; F262-W264 AromaticContact CD1-NE1 3.57Å; F262-W264 AromaticContact CE1-CD2 3.75Å; F262-W264 HydrophobicContact CE1-CD2 3.75Å; F262-W264 AromaticContact CE1-CE2 3.81Å; F262-W264 AromaticContact CE1-CE3 3.84Å; F262-W264 HydrophobicContact CE1-CE3 3.84Å; F262-W264 HydrophobicContact CE1-CG 4.34Å; F262-W264 HydrophobicContact CE1-CH2 4.01Å; F262-W264 AromaticContact CE1-CZ2 3.93Å; F262-W264 HydrophobicContact CE1-CZ2 3.93Å; F262-W264 AromaticContact CE1-CZ3 3.97Å; F262-W264 HydrophobicContact CE1-CZ3 3.97Å; F262-W264 PolarHBondContact O-N 3.22Å; F262-L267 HydrophobicContact CE1-CD1 3.74Å; F262-L267 HydrophobicContact CE1-CD2 4.18Å; F262-L267 HydrophobicContact CZ-CD1 3.73Å; F262-L267 HydrophobicContact CZ-CD2 3.9Å
263	P	98.7	Very high	97.8	Very high	30 Å²	30	55.5 Å²	55.5	20%	0.195	29%	0.292	C	S	.	.			trans	-84	58.9	-165.3	34.6	-37.2	0	0	0	113.4	I223 Q265 Q266 L267	I223-P263 HydrophobicContact CD1-CG 3.7Å; I223-P263 HydrophobicContact CG1-CG 3.89Å; I223-P263 HydrophobicContact CG2-CG 4.05Å; P263-Q265 VanDerWaalsContact C-N 3.28Å; P263-Q265 PolarHBondContact O-N 3.46Å; P263-Q265 VanDerWaalsContact O-N 3.14Å; P263-Q266 HydrophobicContact CB-CB 3.96Å; P263-Q266 WeakPolarHBondContact O-CA 3.49Å; P263-Q266 VanDerWaalsContact O-CB 3.31Å; P263-Q266 WeakPolarHBondContact O-CB 3.35Å; P263-Q266 PolarHBondContact O-N 2.96Å; P263-L267 HydrophobicContact CG-CD1 3.91Å; P263-L267 WeakPolarHBondContact O-CD1 3.47Å; P263-L267 PolarHBondContact O-N 3.07Å; P263-L267 VanDerWaalsContact O-N 3.14Å
264	W	98.7	Very high	98.1	Very high	52 Å²	52	51.4 Å²	51.4	20%	0.197	28%	0.279	C	S	.	.	H	α-helix	trans	-47.2	-44.5	-178.4	-73.6	112	0	0	0	114.1	I130 V244 A246 P258 F262 Q266 L267 A268 W275	I130-W264 HydrophobicContact CB-CH2 4.28Å; I130-W264 HydrophobicContact CG1-CH2 3.91Å; V244-W264 HydrophobicContact CG1-CZ3 4.04Å; A246-W264 HydrophobicContact CB-CZ2 3.94Å; P258-W264 HydrophobicContact CG-CZ2 3.88Å; F262-W264 VanDerWaalsContact C-N 3.27Å; F262-W264 AromaticContact CD1-CD1 3.81Å; F262-W264 AromaticContact CD1-CD2 3.57Å; F262-W264 HydrophobicContact CD1-CD2 3.57Å; F262-W264 AromaticContact CD1-CE2 3.39Å; F262-W264 HydrophobicContact CD1-CE3 4.16Å; F262-W264 AromaticContact CD1-CG 3.83Å; F262-W264 HydrophobicContact CD1-CG 3.83Å; F262-W264 HydrophobicContact CD1-CH2 4.36Å; F262-W264 AromaticContact CD1-CZ2 3.82Å; F262-W264 HydrophobicContact CD1-CZ2 3.82Å; F262-W264 AromaticContact CD1-NE1 3.57Å; F262-W264 AromaticContact CE1-CD2 3.75Å; F262-W264 HydrophobicContact CE1-CD2 3.75Å; F262-W264 AromaticContact CE1-CE2 3.81Å; F262-W264 AromaticContact CE1-CE3 3.84Å; F262-W264 HydrophobicContact CE1-CE3 3.84Å; F262-W264 HydrophobicContact CE1-CG 4.34Å; F262-W264 HydrophobicContact CE1-CH2 4.01Å; F262-W264 AromaticContact CE1-CZ2 3.93Å; F262-W264 HydrophobicContact CE1-CZ2 3.93Å; F262-W264 AromaticContact CE1-CZ3 3.97Å; F262-W264 HydrophobicContact CE1-CZ3 3.97Å; F262-W264 PolarHBondContact O-N 3.22Å; W264-Q266 VanDerWaalsContact C-N 3.33Å; W264-Q266 PolarHBondContact O-N 3.37Å; W264-L267 PolarHBondContact O-N 2.95Å; W264-A268 PolarHBondContact O-N 2.93Å; W264-W275 HydrophobicContact CB-CE3 4.2Å; W264-W275 HydrophobicContact CB-CZ3 3.72Å
265	Q	98.6	Very high	98.2	Very high	97 Å²	97	52.3 Å²	52.3	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-39.2	178.2	-170.4	174.4	18.9	0	0	112.7	P263 L267 A268 Q269 W275	P263-Q265 VanDerWaalsContact C-N 3.28Å; P263-Q265 PolarHBondContact O-N 3.46Å; P263-Q265 VanDerWaalsContact O-N 3.14Å; Q265-L267 VanDerWaalsContact C-N 3.34Å; Q265-A268 PolarHBondContact O-N 3.03Å; Q265-Q269 VanDerWaalsContact O-CG 3.29Å; Q265-Q269 WeakPolarHBondContact O-CG 3.44Å; Q265-Q269 PolarHBondContact O-N 3.42Å; Q265-W275 HydrophobicContact CB-CD2 3.98Å; Q265-W275 HydrophobicContact CB-CE3 4.13Å; Q265-W275 HydrophobicContact CB-CH2 3.76Å; Q265-W275 HydrophobicContact CB-CZ2 3.58Å; Q265-W275 HydrophobicContact CB-CZ3 4.04Å; Q265-W275 HydrophobicContact CG-CD2 4.02Å; Q265-W275 HydrophobicContact CG-CG 4.43Å; Q265-W275 HydrophobicContact CG-CH2 4.46Å; Q265-W275 HydrophobicContact CG-CZ2 3.78Å
266	Q	98.5	Very high	98.3	Very high	82 Å²	82	52.3 Å²	52.3	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-40.5	177.6	-175.2	-174.1	-17	0	0	110.7	P263 W264 Q270	P263-Q266 HydrophobicContact CB-CB 3.96Å; P263-Q266 WeakPolarHBondContact O-CA 3.49Å; P263-Q266 VanDerWaalsContact O-CB 3.31Å; P263-Q266 WeakPolarHBondContact O-CB 3.35Å; P263-Q266 PolarHBondContact O-N 2.96Å; W264-Q266 VanDerWaalsContact C-N 3.33Å; W264-Q266 PolarHBondContact O-N 3.37Å; Q266-Q270 WeakPolarHBondContact O-CG 3.4Å; Q266-Q270 PolarHBondContact O-N 3.08Å
267	L	98.7	Very high	98.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-43.4	174.4	-80.6	95.9	0	0	0	111.5	I223 L226 F262 P263 W264 Q265 Q269 Q270 G271 I272	I223-L267 HydrophobicContact CG2-CD1 4.45Å; L226-L267 HydrophobicContact CD2-CD2 4.08Å; L226-L267 HydrophobicContact CG-CD2 4.49Å; F262-L267 HydrophobicContact CE1-CD1 3.74Å; F262-L267 HydrophobicContact CE1-CD2 4.18Å; F262-L267 HydrophobicContact CZ-CD1 3.73Å; F262-L267 HydrophobicContact CZ-CD2 3.9Å; P263-L267 HydrophobicContact CG-CD1 3.91Å; P263-L267 WeakPolarHBondContact O-CD1 3.47Å; P263-L267 PolarHBondContact O-N 3.07Å; P263-L267 VanDerWaalsContact O-N 3.14Å; W264-L267 PolarHBondContact O-N 2.95Å; Q265-L267 VanDerWaalsContact C-N 3.34Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 PolarHBondContact O-N 3.01Å; L267-Q270 CarbonylContact O-C 3.47Å; L267-Q270 VanDerWaalsContact O-CA 3.31Å; L267-Q270 WeakPolarHBondContact O-CA 3.25Å; L267-Q270 VanDerWaalsContact O-CB 3.31Å; L267-Q270 WeakPolarHBondContact O-CB 3.5Å; L267-Q270 PolarHBondContact O-N 2.74Å; L267-G271 PolarHBondContact O-N 3.11Å; L267-I272 CarbonylContact C-O 3.57Å; L267-I272 HydrophobicContact CB-CB 4.03Å; L267-I272 HydrophobicContact CB-CG2 4.2Å; L267-I272 HydrophobicContact CD2-CB 4.31Å; L267-I272 HydrophobicContact CD2-CD1 4.4Å; L267-I272 HydrophobicContact CD2-CG2 3.74Å; L267-I272 WeakPolarHBondContact O-CB 3.11Å; L267-I272 PolarHBondContact O-N 2.85Å
268	A	98.6	Very high	98.3	Very high	21 Å²	21	57.9 Å²	57.9	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-37.6	179.2	0	0	0	0	0	112.5	W264 Q265 Q270 G271 I272 W275	W264-A268 PolarHBondContact O-N 2.93Å; Q265-A268 PolarHBondContact O-N 3.03Å; A268-Q270 PolarHBondContact O-N 2.94Å; A268-G271 WeakPolarHBondContact O-CA 3.34Å; A268-G271 PolarHBondContact O-N 2.76Å; A268-I272 VanDerWaalsContact CA-O 3.23Å; A268-I272 WeakPolarHBondContact CA-O 3.47Å; A268-I272 PolarHBondContact N-O 3.47Å; A268-W275 HydrophobicContact CB-CB 3.45Å; A268-W275 VanDerWaalsContact CB-CB 3.45Å; A268-W275 HydrophobicContact CB-CG 4.19Å
269	Q	98.4	Very high	98.3	Very high	137 Å²	137	65.9 Å²	65.9	64%	0.64	37%	0.368	S	S	*	.	H	α-helix	trans	-62	-22.6	171.6	-72.1	168.4	1	0	0	113.1	Q265 L267 G271	Q265-Q269 VanDerWaalsContact O-CG 3.29Å; Q265-Q269 WeakPolarHBondContact O-CG 3.44Å; Q265-Q269 PolarHBondContact O-N 3.42Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 PolarHBondContact O-N 3.01Å; Q269-G271 VanDerWaalsContact C-N 3.35Å
270	Q	98.4	Very high	98.4	Very high	88 Å²	88	70.6 Å²	70.6	41%	0.411	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.5	172.6	-63.6	-63.3	-43.7	0	0	112.9	I227 K231 Q266 L267 A268 I272	I227-Q270 HydrophobicContact CD1-CG 4.16Å; I227-Q270 HydrophobicContact CG2-CB 4.33Å; I227-Q270 HydrophobicContact CG2-CG 4.4Å; K231-Q270 WeakPolarHBondContact CE-O 3.37Å; K231-Q270 PolarHBondContact NZ-O 2.91Å; K231-Q270 VanDerWaalsContact NZ-O 3.17Å; Q266-Q270 WeakPolarHBondContact O-CG 3.4Å; Q266-Q270 PolarHBondContact O-N 3.08Å; L267-Q270 CarbonylContact O-C 3.47Å; L267-Q270 VanDerWaalsContact O-CA 3.31Å; L267-Q270 WeakPolarHBondContact O-CA 3.25Å; L267-Q270 VanDerWaalsContact O-CB 3.31Å; L267-Q270 WeakPolarHBondContact O-CB 3.5Å; L267-Q270 PolarHBondContact O-N 2.74Å; A268-Q270 PolarHBondContact O-N 2.94Å; Q270-I272 HydrophobicContact CB-CD1 4.23Å
271	G	98.2	Very high	98.4	Very high	58 Å²	58	68.9 Å²	68.9	60%	0.598	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	20.5	-176.5	0	0	0	0	0	114.2	L267 A268 Q269	L267-G271 PolarHBondContact O-N 3.11Å; A268-G271 WeakPolarHBondContact O-CA 3.34Å; A268-G271 PolarHBondContact O-N 2.76Å; Q269-G271 VanDerWaalsContact C-N 3.35Å
272	I	98.7	Very high	98.4	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	38%	0.376	C	S	.	.			trans	-115	111	-179.9	-58.1	156.3	0	0	0	109.5	I227 A230 K231 I234 V244 L267 A268 Q270	I227-I272 HydrophobicContact CB-CD1 4.16Å; I227-I272 HydrophobicContact CG1-CD1 4.12Å; I227-I272 HydrophobicContact CG2-CD1 3.99Å; A230-I272 HydrophobicContact CB-CD1 4.03Å; A230-I272 HydrophobicContact CB-CG1 4.26Å; A230-I272 HydrophobicContact CB-CG2 3.94Å; K231-I272 HydrophobicContact CG-CD1 4.05Å; K231-I272 HydrophobicContact CG-CG1 3.99Å; I234-I272 HydrophobicContact CD1-CB 4.22Å; I234-I272 HydrophobicContact CD1-CG1 4.17Å; I234-I272 HydrophobicContact CD1-CG2 3.8Å; V244-I272 HydrophobicContact CG1-CG2 4.16Å; L267-I272 CarbonylContact C-O 3.57Å; L267-I272 HydrophobicContact CB-CB 4.03Å; L267-I272 HydrophobicContact CB-CG2 4.2Å; L267-I272 HydrophobicContact CD2-CB 4.31Å; L267-I272 HydrophobicContact CD2-CD1 4.4Å; L267-I272 HydrophobicContact CD2-CG2 3.74Å; L267-I272 WeakPolarHBondContact O-CB 3.11Å; L267-I272 PolarHBondContact O-N 2.85Å; A268-I272 VanDerWaalsContact CA-O 3.23Å; A268-I272 WeakPolarHBondContact CA-O 3.47Å; A268-I272 PolarHBondContact N-O 3.47Å; Q270-I272 HydrophobicContact CB-CD1 4.23Å
273	G	98.3	Very high	98.3	Very high	10 Å²	10	75.6 Å²	75.6	10%	0.103	40%	0.401	C	S	.	.	S	Bend	trans	85.4	165.6	178.1	0	0	0	0	0	114.6	P241	P241-G273 CarbonylContact O-C 3.54Å; P241-G273 VanDerWaalsContact O-CA 3.31Å; P241-G273 WeakPolarHBondContact O-CA 3.23Å
274	A	98	Very high	98.3	Very high	39 Å²	39	81.1 Å²	81.1	32%	0.322	42%	0.419	S	S	.	.			trans	-82.3	143.5	180	0	0	0	0	0	111.8	P241 E242 Y306	P241-A274 HydrophobicContact CB-CB 4.26Å; P241-A274 PolarHBondContact O-N 3.01Å; E242-A274 HydrophobicContact CB-CB 4.46Å; A274-Y306 WeakPolarHBondContact CB-OH 3.32Å
275	W	98.4	Very high	98.3	Very high	128 Å²	128	80.9 Å²	80.9	49%	0.485	42%	0.421	S	S	.	.			trans	-148.8	138.3	169.6	-162.7	-96	0	0	0	109.8	W264 Q265 A268	W264-W275 HydrophobicContact CB-CE3 4.2Å; W264-W275 HydrophobicContact CB-CZ3 3.72Å; Q265-W275 HydrophobicContact CB-CD2 3.98Å; Q265-W275 HydrophobicContact CB-CE3 4.13Å; Q265-W275 HydrophobicContact CB-CH2 3.76Å; Q265-W275 HydrophobicContact CB-CZ2 3.58Å; Q265-W275 HydrophobicContact CB-CZ3 4.04Å; Q265-W275 HydrophobicContact CG-CD2 4.02Å; Q265-W275 HydrophobicContact CG-CG 4.43Å; Q265-W275 HydrophobicContact CG-CH2 4.46Å; Q265-W275 HydrophobicContact CG-CZ2 3.78Å; A268-W275 HydrophobicContact CB-CB 3.45Å; A268-W275 VanDerWaalsContact CB-CB 3.45Å; A268-W275 HydrophobicContact CB-CG 4.19Å
276	P	97.9	Very high	98.2	Very high	78 Å²	78	80 Å²	80	51%	0.506	43%	0.431	S	S	.	.			trans	-77	145.5	-177.1	32	-36.3	0	0	0	112	A278 V281	P276-A278 PolarHBondContact O-N 3.09Å; P276-V281 HydrophobicContact CB-CG2 3.7Å; P276-V281 HydrophobicContact CG-CG2 3.84Å
277	D	98.2	Very high	98.1	Very high	117 Å²	117	80 Å²	80	63%	0.626	45%	0.453	S	S	*	.			trans	-63.8	125.1	170.6	-68.2	-37.1	0	0	0	110.7	Q279 R280 V281	D277-Q279 PolarHBondContact O-N 3.15Å; D277-Q279 VanDerWaalsContact O-N 3.15Å; D277-R280 HydrophobicContact CB-CB 4.07Å; D277-R280 HydrophobicContact CB-CG 3.77Å; D277-R280 WeakPolarHBondContact O-CA 3.24Å; D277-R280 WeakPolarHBondContact O-CB 3.23Å; D277-R280 PolarHBondContact O-N 2.97Å; D277-V281 PolarHBondContact O-N 3.3Å
278	A	98	Very high	98.1	Very high	74 Å²	74	85.7 Å²	85.7	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-56	-36.9	-177.3	0	0	0	0	0	113.1	P276 V281 N282	P276-A278 PolarHBondContact O-N 3.09Å; A278-V281 PolarHBondContact O-N 3.18Å; A278-N282 PolarHBondContact O-N 2.84Å; A278-N282 PolarHBondContact O-ND2 2.88Å
279	Q	98.2	Very high	98	Very high	169 Å²	169	87.6 Å²	87.6	79%	0.79	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-36.2	176	-69	-175.1	-16.3	0	0	112.6	D277 N282 F283	D277-Q279 PolarHBondContact O-N 3.15Å; D277-Q279 VanDerWaalsContact O-N 3.15Å; Q279-N282 PolarHBondContact O-N 2.92Å; Q279-F283 WeakPolarHBondContact O-CB 3.06Å; Q279-F283 PolarHBondContact O-N 2.96Å
280	R	98.3	Very high	98	Very high	110 Å²	110	85.9 Å²	85.9	42%	0.415	49%	0.491	S	S	.	.	H	α-helix	trans	-70.9	-38.9	176.5	-63.1	-61.7	-59.9	170.8	1.7	111	D277 F283 Y284	D277-R280 HydrophobicContact CB-CB 4.07Å; D277-R280 HydrophobicContact CB-CG 3.77Å; D277-R280 WeakPolarHBondContact O-CA 3.24Å; D277-R280 WeakPolarHBondContact O-CB 3.23Å; D277-R280 PolarHBondContact O-N 2.97Å; R280-F283 WeakPolarHBondContact O-CB 3.44Å; R280-F283 PolarHBondContact O-N 2.62Å; R280-Y284 PolarHBondContact NH2-OH 3.43Å; R280-Y284 WeakPolarHBondContact O-CD2 3.1Å; R280-Y284 PolarHBondContact O-N 3.37Å
281	V	98.2	Very high	97.9	Very high	61 Å²	61	90.3 Å²	90.3	37%	0.37	51%	0.511	S	S	.	.	H	α-helix	trans	-58.7	-49.1	172	177.8	0	0	0	0	110.4	P276 D277 A278 F283 Y284 L285	P276-V281 HydrophobicContact CB-CG2 3.7Å; P276-V281 HydrophobicContact CG-CG2 3.84Å; D277-V281 PolarHBondContact O-N 3.3Å; A278-V281 PolarHBondContact O-N 3.18Å; V281-F283 VanDerWaalsContact C-N 3.3Å; V281-F283 PolarHBondContact O-N 3.48Å; V281-Y284 PolarHBondContact O-N 2.81Å; V281-Y284 VanDerWaalsContact O-N 3.15Å; V281-L285 HydrophobicContact CG1-CD1 4.37Å; V281-L285 PolarHBondContact O-N 3.03Å
282	N	98	Very high	97.9	Very high	107 Å²	107	90.6 Å²	90.6	57%	0.572	50%	0.501	S	S	*	.	H	α-helix	trans	-60.9	-38.2	177	-72.6	-21.5	0	0	0	112.7	A278 Q279 L285	A278-N282 PolarHBondContact O-N 2.84Å; A278-N282 PolarHBondContact O-ND2 2.88Å; Q279-N282 PolarHBondContact O-N 2.92Å; N282-L285 PolarHBondContact O-N 3.02Å
283	F	98.3	Very high	97.9	Very high	128 Å²	128	96.3 Å²	96.3	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-60	-48.2	172.8	173.5	-92.3	0	0	0	111.7	Q279 R280 V281 A286	Q279-F283 WeakPolarHBondContact O-CB 3.06Å; Q279-F283 PolarHBondContact O-N 2.96Å; R280-F283 WeakPolarHBondContact O-CB 3.44Å; R280-F283 PolarHBondContact O-N 2.62Å; V281-F283 VanDerWaalsContact C-N 3.3Å; V281-F283 PolarHBondContact O-N 3.48Å; F283-A286 PolarHBondContact O-N 2.93Å
284	Y	97.6	Very high	97.8	Very high	145 Å²	145	99.4 Å²	99.4	57%	0.569	56%	0.555	S	S	*	*	H	α-helix	trans	-75.2	-22.1	-180	-72.7	-65.2	0	0	0	114.3	R280 V281 A286 R288	R280-Y284 PolarHBondContact NH2-OH 3.43Å; R280-Y284 WeakPolarHBondContact O-CD2 3.1Å; R280-Y284 PolarHBondContact O-N 3.37Å; V281-Y284 PolarHBondContact O-N 2.81Å; V281-Y284 VanDerWaalsContact O-N 3.15Å; Y284-A286 PolarHBondContact O-N 3.12Å; Y284-R288 PolarHBondContact O-NH2 3.16Å
285	L	98	Very high	97.8	Very high	47 Å²	47	102.2 Å²	102.2	25%	0.246	57%	0.565	C	S	.	*	H	α-helix	trans	-59.2	-30.8	167.8	-83	171.6	0	0	0	111.1	V281 N282 G287 R288	V281-L285 HydrophobicContact CG1-CD1 4.37Å; V281-L285 PolarHBondContact O-N 3.03Å; N282-L285 PolarHBondContact O-N 3.02Å; L285-G287 PolarHBondContact O-N 2.65Å; L285-R288 VanDerWaalsContact O-CB 3.28Å; L285-R288 WeakPolarHBondContact O-CB 3.42Å; L285-R288 WeakPolarHBondContact O-CG 3.4Å; L285-R288 PolarHBondContact O-N 3.26Å; L285-R288 PolarHBondContact O-NE 3.39Å
286	A	97.6	Very high	97.6	Very high	79 Å²	79	100.7 Å²	100.7	65%	0.653	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.3	39.7	174.2	0	0	0	0	0	112.9	F283 Y284 R288	F283-A286 PolarHBondContact O-N 2.93Å; Y284-A286 PolarHBondContact O-N 3.12Å; A286-R288 VanDerWaalsContact C-N 3.28Å; A286-R288 PolarHBondContact O-N 3.03Å
287	G	96.7	Very high	97.5	Very high	83 Å²	83	100.1 Å²	100.1	86%	0.856	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.8	-2.2	179.8	0	0	0	0	0	115.8	L285	L285-G287 PolarHBondContact O-N 2.65Å
288	R	97.8	Very high	97.4	Very high	120 Å²	120	97.5 Å²	97.5	45%	0.453	56%	0.563	S	S	.	*			trans	-70.1	148.2	174.4	-62.5	172.7	-70.8	171.6	-1.8	110.8	Y284 L285 A286	Y284-R288 PolarHBondContact O-NH2 3.16Å; L285-R288 VanDerWaalsContact O-CB 3.28Å; L285-R288 WeakPolarHBondContact O-CB 3.42Å; L285-R288 WeakPolarHBondContact O-CG 3.4Å; L285-R288 PolarHBondContact O-N 3.26Å; L285-R288 PolarHBondContact O-NE 3.39Å; A286-R288 VanDerWaalsContact C-N 3.28Å; A286-R288 PolarHBondContact O-N 3.03Å
289	A	97.9	Very high	97.2	Very high	60 Å²	60	97.7 Å²	97.7	50%	0.496	55%	0.553	S	S	.	*			trans	-68.2	147.8	167	0	0	0	0	0	109.5	H291 T292	A289-H291 PolarHBondContact O-N 3.2Å; A289-T292 PolarHBondContact N-OG1 3.12Å; A289-T292 WeakPolarHBondContact O-CB 3.35Å; A289-T292 PolarHBondContact O-N 3.01Å; A289-T292 PolarHBondContact O-OG1 3.2Å; A289-T292 VanDerWaalsContact O-OG1 3.08Å
290	P	97.1	Very high	96.9	Very high	102 Å²	102	92.3 Å²	92.3	66%	0.662	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	-175.8	-28.6	36	0	0	0	115.6
291	H	97.3	Very high	96.7	Very high	181 Å²	181	92.6 Å²	92.6	84%	0.838	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	10.9	-179.8	-55.9	-49.1	0	0	0	113.5	A289 P293	A289-H291 PolarHBondContact O-N 3.2Å; H291-P293 WeakPolarHBondContact O-CD 3.41Å
292	T	97.8	Very high	96.5	Very high	63 Å²	63	95.5 Å²	95.5	39%	0.387	55%	0.548	S	S	.	.			trans	-62	126.3	172.1	-62.8	0	0	0	0	109.1	A289	A289-T292 PolarHBondContact N-OG1 3.12Å; A289-T292 WeakPolarHBondContact O-CB 3.35Å; A289-T292 PolarHBondContact O-N 3.01Å; A289-T292 PolarHBondContact O-OG1 3.2Å; A289-T292 VanDerWaalsContact O-OG1 3.08Å
293	P	97.7	Very high	96.3	Very high	122 Å²	122	93.4 Å²	93.4	79%	0.792	54%	0.537	S	S	*	.			trans	-54.6	143.6	177.3	-26.8	35.1	0	0	0	112.2	H291	H291-P293 WeakPolarHBondContact O-CD 3.41Å
294	V	97.2	Very high	95.9	Very high	75 Å²	75	88.7 Å²	88.7	46%	0.455	52%	0.521	S	S	.	.			trans	-122.8	160.5	177.1	-61	0	0	0	0	109.8	T296 L299	V294-T296 PolarHBondContact O-N 3.08Å; V294-L299 HydrophobicContact CG2-CB 4.42Å; V294-L299 HydrophobicContact CG2-CD2 4.25Å
295	D	97	Very high	95.6	Very high	98 Å²	98	91 Å²	91	52%	0.524	53%	0.529	S	S	.	.			trans	-65.8	120.4	172.3	175.7	64.1	0	0	0	110.4	A297 S298 L299	D295-A297 VanDerWaalsContact C-N 3.35Å; D295-A297 PolarHBondContact O-N 3.03Å; D295-A297 PolarHBondContact OD2-N 3.28Å; D295-S298 PolarHBondContact O-N 2.84Å; D295-S298 VanDerWaalsContact OD2-CB 3.29Å; D295-S298 WeakPolarHBondContact OD2-CB 3.47Å; D295-S298 PolarHBondContact OD2-N 3.01Å; D295-S298 PolarHBondContact OD2-OG 3.4Å; D295-L299 PolarHBondContact O-N 3.32Å; D295-L299 VanDerWaalsContact O-N 3.13Å
296	T	95.7	Very high	95.3	Very high	95 Å²	95	93.9 Å²	93.9	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-63.1	-40.5	-175.5	-53.8	0	0	0	0	111.7	V294 S298 L299 L300	V294-T296 PolarHBondContact O-N 3.08Å; T296-S298 PolarHBondContact O-N 2.99Å; T296-L299 PolarHBondContact O-N 3.33Å; T296-L300 HydrophobicContact CG2-CD1 3.97Å; T296-L300 HydrophobicContact CG2-CG 4.26Å; T296-L300 WeakPolarHBondContact O-CB 3.46Å; T296-L300 VanDerWaalsContact O-CG 3.28Å; T296-L300 WeakPolarHBondContact O-CG 3.04Å; T296-L300 PolarHBondContact O-N 2.83Å
297	A	95.2	Very high	94.4	Very high	66 Å²	66	91.2 Å²	91.2	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-43	-178.9	0	0	0	0	0	111.7	D295 L299 L300 E301	D295-A297 VanDerWaalsContact C-N 3.35Å; D295-A297 PolarHBondContact O-N 3.03Å; D295-A297 PolarHBondContact OD2-N 3.28Å; A297-L299 PolarHBondContact O-N 2.92Å; A297-L300 PolarHBondContact O-N 3.04Å; A297-E301 PolarHBondContact O-N 3.34Å
298	S	95.5	Very high	92.7	Very high	63 Å²	63	88.7 Å²	88.7	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-40.7	175.6	-58.3	0	0	0	0	112.2	D295 T296 E301 L302	D295-S298 PolarHBondContact O-N 2.84Å; D295-S298 VanDerWaalsContact OD2-CB 3.29Å; D295-S298 WeakPolarHBondContact OD2-CB 3.47Å; D295-S298 PolarHBondContact OD2-N 3.01Å; D295-S298 PolarHBondContact OD2-OG 3.4Å; T296-S298 PolarHBondContact O-N 2.99Å; S298-E301 PolarHBondContact O-N 3.2Å; S298-L302 WeakPolarHBondContact O-CG 3.33Å; S298-L302 PolarHBondContact O-N 3.43Å
299	L	94.4	Very high	91	Very high	78 Å²	78	83.8 Å²	83.8	41%	0.408	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-45.5	175.8	177.7	61	0	0	0	111.5	V294 D295 T296 A297 E301 L302 L303	V294-L299 HydrophobicContact CG2-CB 4.42Å; V294-L299 HydrophobicContact CG2-CD2 4.25Å; D295-L299 PolarHBondContact O-N 3.32Å; D295-L299 VanDerWaalsContact O-N 3.13Å; T296-L299 PolarHBondContact O-N 3.33Å; A297-L299 PolarHBondContact O-N 2.92Å; L299-E301 VanDerWaalsContact C-N 3.28Å; L299-E301 PolarHBondContact O-N 3.18Å; L299-L302 WeakPolarHBondContact O-CB 3.32Å; L299-L302 PolarHBondContact O-N 2.98Å; L299-L302 VanDerWaalsContact O-N 3.12Å; L299-L303 HydrophobicContact CD1-CG 4.47Å; L299-L303 HydrophobicContact CG-CD1 4.34Å; L299-L303 WeakPolarHBondContact O-CG 3.45Å; L299-L303 PolarHBondContact O-N 3.25Å
300	L	92.6	Very high	88.7	Confident	55 Å²	55	83.8 Å²	83.8	29%	0.288	46%	0.46	S	S	.	.	H	α-helix	trans	-61.7	-35.6	177.8	-70.3	174.2	0	0	0	112.1	T296 A297 L303 A304 I314	T296-L300 HydrophobicContact CG2-CD1 3.97Å; T296-L300 HydrophobicContact CG2-CG 4.26Å; T296-L300 WeakPolarHBondContact O-CB 3.46Å; T296-L300 VanDerWaalsContact O-CG 3.28Å; T296-L300 WeakPolarHBondContact O-CG 3.04Å; T296-L300 PolarHBondContact O-N 2.83Å; A297-L300 PolarHBondContact O-N 3.04Å; L300-L303 HydrophobicContact CD2-CD1 4.49Å; L300-L303 PolarHBondContact O-N 2.91Å; L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 2.92Å; L300-I314 HydrophobicContact CD2-CB 3.98Å; L300-I314 HydrophobicContact CD2-CD1 4Å; L300-I314 HydrophobicContact CD2-CG2 3.46Å; L300-I314 VanDerWaalsContact CD2-CG2 3.46Å
301	E	93.1	Very high	86.4	Confident	117 Å²	117	84 Å²	84	55%	0.547	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-43.9	172.7	-174.1	-178.6	175	0	0	111.7	A297 S298 L299 A304 R305	A297-E301 PolarHBondContact O-N 3.34Å; S298-E301 PolarHBondContact O-N 3.2Å; L299-E301 VanDerWaalsContact C-N 3.28Å; L299-E301 PolarHBondContact O-N 3.18Å; E301-A304 PolarHBondContact O-N 3.34Å; E301-R305 WeakPolarHBondContact O-CG 3.28Å; E301-R305 PolarHBondContact O-N 3.27Å
302	L	94.6	Very high	84.2	Confident	122 Å²	122	82.6 Å²	82.6	64%	0.639	46%	0.46	S	S	*	.	H	α-helix	trans	-63.5	-43	177.8	-64.7	176.2	0	0	0	111.8	S298 L299 R305 Y306	S298-L302 WeakPolarHBondContact O-CG 3.33Å; S298-L302 PolarHBondContact O-N 3.43Å; L299-L302 WeakPolarHBondContact O-CB 3.32Å; L299-L302 PolarHBondContact O-N 2.98Å; L299-L302 VanDerWaalsContact O-N 3.12Å; L302-R305 PolarHBondContact O-N 3.47Å; L302-Y306 PolarHBondContact O-N 3.13Å; L302-Y306 VanDerWaalsContact O-N 3.09Å
303	L	92.5	Very high	81.9	Confident	63 Å²	63	82.3 Å²	82.3	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-63.4	-43.5	174.9	-64.6	178	0	0	0	111	L299 L300 R305 Y306 D307	L299-L303 HydrophobicContact CD1-CG 4.47Å; L299-L303 HydrophobicContact CG-CD1 4.34Å; L299-L303 WeakPolarHBondContact O-CG 3.45Å; L299-L303 PolarHBondContact O-N 3.25Å; L300-L303 HydrophobicContact CD2-CD1 4.49Å; L300-L303 PolarHBondContact O-N 2.91Å; L303-R305 PolarHBondContact O-N 3.44Å; L303-Y306 PolarHBondContact O-N 3.41Å; L303-D307 WeakPolarHBondContact O-CB 3.4Å; L303-D307 PolarHBondContact O-N 3.49Å
304	A	90.3	Very high	79.3	Confident	28 Å²	28	81.5 Å²	81.5	23%	0.231	45%	0.446	C	S	.	.	H	α-helix	trans	-61.4	-27.7	175.2	0	0	0	0	0	112.8	L300 E301 A308	L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 2.92Å; E301-A304 PolarHBondContact O-N 3.34Å; A304-A308 WeakPolarHBondContact O-CA 3.5Å; A304-A308 PolarHBondContact O-N 2.81Å
305	R	91.5	Very high	78.4	Confident	195 Å²	195	81.8 Å²	81.8	74%	0.736	45%	0.446	S	S	*	.	H	α-helix	trans	-78.8	-29.6	172.8	-64.6	-64.7	-176.1	-178.6	-0.5	113.1	E301 L302 L303	E301-R305 WeakPolarHBondContact O-CG 3.28Å; E301-R305 PolarHBondContact O-N 3.27Å; L302-R305 PolarHBondContact O-N 3.47Å; L303-R305 PolarHBondContact O-N 3.44Å
306	Y	91.8	Very high	77.4	Confident	107 Å²	107	80.9 Å²	80.9	42%	0.42	44%	0.441	S	S	.	.	H	α-helix	trans	-80.4	-47.7	178	-167.9	-116	0	0	0	111.7	W186 R187 E242 A274 L302 L303	W186-Y306 HydrophobicContact CH2-CD1 4.31Å; W186-Y306 HydrophobicContact CH2-CE1 4.16Å; R187-Y306 VanDerWaalsContact CG-O 3.28Å; R187-Y306 WeakPolarHBondContact CG-O 3.23Å; R187-Y306 PolarHBondContact NH1-O 2.86Å; E242-Y306 HydrophobicContact CB-CE2 4.42Å; A274-Y306 WeakPolarHBondContact CB-OH 3.32Å; L302-Y306 PolarHBondContact O-N 3.13Å; L302-Y306 VanDerWaalsContact O-N 3.09Å; L303-Y306 PolarHBondContact O-N 3.41Å
307	D	77.8	Confident	76.4	Confident	22 Å²	22	80.2 Å²	80.2	12%	0.118	43%	0.434	C	S	.	.	H	α-helix	trans	-102.1	-26.4	-170.9	-53.1	-22.3	0	0	0	113.3	W186 R187 L303 F309	W186-D307 CarbonylContact C-O 3.56Å; W186-D307 WeakPolarHBondContact CA-O 3.25Å; W186-D307 HydrophobicContact CE3-CB 4.03Å; W186-D307 HydrophobicContact CH2-CB 4.23Å; W186-D307 WeakPolarHBondContact CH2-OD1 3.46Å; W186-D307 HydrophobicContact CZ3-CB 3.53Å; W186-D307 VanDerWaalsContact CZ3-CG 3.49Å; W186-D307 WeakPolarHBondContact CZ3-OD1 3.28Å; R187-D307 PolarHBondContact N-O 3.46Å; L303-D307 WeakPolarHBondContact O-CB 3.4Å; L303-D307 PolarHBondContact O-N 3.49Å; D307-F309 HydrophobicContact CB-CD2 4.04Å; D307-F309 HydrophobicContact CB-CE2 4.42Å
308	A	61.6	Low	75.3	Confident	31 Å²	31	81 Å²	81	26%	0.256	43%	0.427	S	S	.	.			trans	58.5	42.6	-172.3	0	0	0	0	0	116.2	R187 A304	R187-A308 VanDerWaalsContact CA-CB 3.45Å; A304-A308 WeakPolarHBondContact O-CA 3.5Å; A304-A308 PolarHBondContact O-N 2.81Å
309	F	61.8	Low	74	Confident	16 Å²	16	82.1 Å²	82.1	7%	0.07	43%	0.426	C	S	.	.			trans	-71.8	137.7	157.6	-80.3	-75.3	0	0	0	110.8	A185 D249 P252 D307 V313 I314	A185-F309 HydrophobicContact CB-CD1 4.39Å; A185-F309 HydrophobicContact CB-CE1 3.91Å; A185-F309 HydrophobicContact CB-CZ 4.31Å; D249-F309 VanDerWaalsContact O-CE2 3.25Å; D249-F309 WeakPolarHBondContact O-CE2 3.48Å; P252-F309 VanDerWaalsContact CD-CE2 3.46Å; P252-F309 HydrophobicContact CG-CD2 4.15Å; P252-F309 HydrophobicContact CG-CE1 4.14Å; P252-F309 HydrophobicContact CG-CE2 3.63Å; P252-F309 HydrophobicContact CG-CZ 3.66Å; D307-F309 HydrophobicContact CB-CD2 4.04Å; D307-F309 HydrophobicContact CB-CE2 4.42Å; F309-V313 HydrophobicContact CD1-CB 3.88Å; F309-V313 HydrophobicContact CD1-CG1 3.5Å; F309-V313 HydrophobicContact CE1-CG1 3.92Å; F309-V313 HydrophobicContact CG-CG1 4.49Å; F309-I314 HydrophobicContact CB-CD1 4.12Å; F309-I314 HydrophobicContact CB-CG1 4.21Å
310	P	51.2	Low	72.7	Confident	60 Å²	60	82.4 Å²	82.4	39%	0.39	43%	0.427	S	S	.	.			trans	-55.8	145	161.9	-14.2	26.2	0	0	0	109.1	D312 V313	P310-D312 PolarHBondContact O-N 2.98Å; P310-V313 HydrophobicContact CB-CG2 4.15Å; P310-V313 HydrophobicContact CG-CG2 3.92Å; P310-V313 PolarHBondContact O-N 3.3Å
311	P	46.8	Very low	71.3	Confident	107 Å²	107	84.4 Å²	84.4	70%	0.695	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-52.1	-22.4	176	-25.4	34.9	0	0	0	113.6	V313	P311-V313 VanDerWaalsContact C-N 3.29Å; P311-V313 PolarHBondContact O-N 3.45Å
312	D	51.7	Low	69.6	Low	151 Å²	151	81.8 Å²	81.8	81%	0.807	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-83.4	-0.5	-174.9	-34.9	-35.5	0	0	0	113.5	P310	P310-D312 PolarHBondContact O-N 2.98Å
313	V	49.5	Very low	67.5	Low	58 Å²	58	78.5 Å²	78.5	35%	0.352	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-112.5	-3.1	-174.5	-173.6	0	0	0	0	112.9	Q253 F309 P310 P311	Q253-V313 HydrophobicContact CG-CG1 4.48Å; Q253-V313 VanDerWaalsContact CG-O 3.25Å; Q253-V313 WeakPolarHBondContact CG-O 3.29Å; Q253-V313 PolarHBondContact NE2-O 2.64Å; F309-V313 HydrophobicContact CD1-CB 3.88Å; F309-V313 HydrophobicContact CD1-CG1 3.5Å; F309-V313 HydrophobicContact CE1-CG1 3.92Å; F309-V313 HydrophobicContact CG-CG1 4.49Å; P310-V313 HydrophobicContact CB-CG2 4.15Å; P310-V313 HydrophobicContact CG-CG2 3.92Å; P310-V313 PolarHBondContact O-N 3.3Å; P311-V313 VanDerWaalsContact C-N 3.29Å; P311-V313 PolarHBondContact O-N 3.45Å
314	I	43.4	Very low	65.2	Low	104 Å²	104	79.9 Å²	79.9	53%	0.533	42%	0.419	S	S	.	.			trans	-115	0	174.1	-54.2	175.4	0	0	0	109.6	L300 F309	L300-I314 HydrophobicContact CD2-CB 3.98Å; L300-I314 HydrophobicContact CD2-CD1 4Å; L300-I314 HydrophobicContact CD2-CG2 3.46Å; L300-I314 VanDerWaalsContact CD2-CG2 3.46Å; F309-I314 HydrophobicContact CB-CD1 4.12Å; F309-I314 HydrophobicContact CB-CG1 4.21Å

Retrieved 314 of 314 residues in 85.2 ms (Link to these results)

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