A0A077ZC68_TRITR Loading...

Reprolysin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 672 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	32.6	Very low	36.3	Very low	238 Å²	238	153.5 Å²	153.5	100%	1.172	85%	0.848	S	S	*	*				0	125.4	0	-65.9	160.5	76.1	0	0	106.9
2	H	32.9	Very low	35.9	Very low	200 Å²	200	157.7 Å²	157.7	93%	0.926	84%	0.844	S	S	*	*			trans	-133.3	124.4	177.7	-76.5	-39.8	0	0	0	109
3	A	34.4	Very low	35.6	Very low	89 Å²	89	153.1 Å²	153.1	74%	0.736	81%	0.812	S	S	*	*			trans	-153.4	133.8	168.1	0	0	0	0	0	108.8
4	D	41.4	Very low	35.4	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	81%	0.805	S	S	*	*			trans	42.2	118.1	153.1	-53.8	-44.7	0	0	0	122
5	S	42.3	Very low	35.1	Very low	122 Å²	122	143.1 Å²	143.1	85%	0.853	79%	0.79	S	S	*	*			trans	-144.3	20.8	149.3	-69.2	0	0	0	0	112	L7	S5-L7 PolarHBondContact O-N 2.79Å
6	S	41.1	Very low	35	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	2.6	-165.3	-50.5	0	0	0	0	115.3
7	L	38.2	Very low	34.6	Very low	157 Å²	157	134.5 Å²	134.5	82%	0.822	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	0.5	-159.4	-137	116.7	0	0	0	116	S5	S5-L7 PolarHBondContact O-N 2.79Å
8	L	35.2	Very low	34.2	Very low	166 Å²	166	132.7 Å²	132.7	87%	0.869	73%	0.725	S	S	*	*	S	Bend	trans	-109.3	-0.5	-171.3	-91.6	164.9	0	0	0	116.3
9	L	35.2	Very low	34	Very low	157 Å²	157	131.6 Å²	131.6	82%	0.822	72%	0.718	S	S	*	*	S	Bend	trans	-100.2	-4.5	-177.8	-121.6	77	0	0	0	115.6
10	L	33.4	Very low	33.6	Very low	160 Å²	160	126.8 Å²	126.8	84%	0.838	70%	0.697	S	S	*	*	S	Bend	trans	-87.5	-3.4	-168.1	-89.5	165.9	0	0	0	116
11	L	32.8	Very low	33.4	Very low	152 Å²	152	124.8 Å²	124.8	80%	0.796	69%	0.689	S	S	*	*	S	Bend	trans	-115.5	-2	-155.5	-97.1	172.1	0	0	0	118.8
12	Y	31.6	Very low	33.4	Very low	204 Å²	204	116.6 Å²	116.6	80%	0.8	65%	0.648	S	S	*	*	S	Bend	trans	-119.8	-4.3	-165.3	-107.4	-75.8	0	0	0	120
13	F	32.2	Very low	33.7	Very low	98 Å²	98	108.6 Å²	108.6	43%	0.43	61%	0.613	S	S	.	*			trans	-137.1	76.4	-176	-79.8	-92.3	0	0	0	112.4	Y518 M519	F13-Y518 HydrophobicContact CB-CD2 3.83Å; F13-Y518 HydrophobicContact CB-CE1 4.08Å; F13-Y518 HydrophobicContact CB-CE2 3.29Å; F13-Y518 HydrophobicContact CB-CG 4.41Å; F13-Y518 VanDerWaalsContact CB-CZ 3.43Å; F13-Y518 AromaticContact CD1-CD1 3.99Å; F13-Y518 HydrophobicContact CD1-CD1 3.99Å; F13-Y518 AromaticContact CD1-CD2 3.8Å; F13-Y518 HydrophobicContact CD1-CD2 3.8Å; F13-Y518 HydrophobicContact CD1-CE1 4.33Å; F13-Y518 HydrophobicContact CD1-CE2 4.15Å; F13-Y518 AromaticContact CD1-CG 3.7Å; F13-Y518 HydrophobicContact CD1-CG 3.7Å; F13-Y518 AromaticContact CD2-CD1 3.38Å; F13-Y518 HydrophobicContact CD2-CD1 3.38Å; F13-Y518 HydrophobicContact CD2-CD2 4.21Å; F13-Y518 AromaticContact CD2-CE1 3.07Å; F13-Y518 HydrophobicContact CD2-CE1 3.07Å; F13-Y518 AromaticContact CD2-CE2 3.96Å; F13-Y518 HydrophobicContact CD2-CE2 3.96Å; F13-Y518 AromaticContact CD2-CG 3.94Å; F13-Y518 HydrophobicContact CD2-CG 3.94Å; F13-Y518 AromaticContact CD2-CZ 3.39Å; F13-Y518 AromaticContact CE1-CD1 3.98Å; F13-Y518 HydrophobicContact CE1-CD1 3.98Å; F13-Y518 HydrophobicContact CE1-CD2 4.4Å; F13-Y518 AromaticContact CE1-CG 3.84Å; F13-Y518 HydrophobicContact CE1-CG 3.84Å; F13-Y518 WeakPolarHBondContact CE1-O 3.47Å; F13-Y518 AromaticContact CE2-CD1 3.38Å; F13-Y518 HydrophobicContact CE2-CD1 3.38Å; F13-Y518 AromaticContact CE2-CE1 3.48Å; F13-Y518 HydrophobicContact CE2-CE1 3.48Å; F13-Y518 VanDerWaalsContact CE2-CE1 3.48Å; F13-Y518 HydrophobicContact CE2-CG 4.09Å; F13-Y518 AromaticContact CG-CD1 3.69Å; F13-Y518 HydrophobicContact CG-CD1 3.69Å; F13-Y518 AromaticContact CG-CD2 3.67Å; F13-Y518 HydrophobicContact CG-CD2 3.67Å; F13-Y518 AromaticContact CG-CE1 3.57Å; F13-Y518 HydrophobicContact CG-CE1 3.57Å; F13-Y518 AromaticContact CG-CE2 3.54Å; F13-Y518 HydrophobicContact CG-CE2 3.54Å; F13-Y518 AromaticContact CG-CG 3.74Å; F13-Y518 HydrophobicContact CG-CG 3.74Å; F13-Y518 AromaticContact CG-CZ 3.47Å; F13-Y518 VanDerWaalsContact CG-CZ 3.47Å; F13-Y518 AromaticContact CZ-CD1 3.68Å; F13-Y518 HydrophobicContact CZ-CD1 3.68Å; F13-Y518 HydrophobicContact CZ-CE1 4.24Å; F13-Y518 HydrophobicContact CZ-CG 4.03Å; F13-M519 VanDerWaalsContact CA-SD 3.59Å; F13-M519 HydrophobicContact CB-CG 3.89Å; F13-M519 HydrophobicContact CB-SD 3.79Å; F13-M519 HydrophobicContact CD1-CB 3.82Å; F13-M519 HydrophobicContact CD1-CG 3.68Å; F13-M519 HydrophobicContact CD1-SD 3.97Å; F13-M519 HydrophobicContact CE1-CB 4.48Å; F13-M519 HydrophobicContact CG-CG 4.28Å; F13-M519 HydrophobicContact CG-SD 4.36Å
14	A	31.9	Very low	33.6	Very low	87 Å²	87	105 Å²	105	72%	0.719	58%	0.581	S	S	*	*			trans	-136.8	28.2	165.7	0	0	0	0	0	112.6	M519	A14-M519 PolarHBondContact N-SD 3.33Å; A14-M519 VanDerWaalsContact N-SD 3.41Å
15	A	31.2	Very low	33.2	Very low	70 Å²	70	98.4 Å²	98.4	58%	0.579	55%	0.546	S	S	*	.			trans	-150.8	140.1	173.9	0	0	0	0	0	113.9	M519	A15-M519 VanDerWaalsContact N-CE 3.29Å; A15-M519 PolarHBondContact N-SD 2.76Å
16	F	33.4	Very low	32.8	Very low	114 Å²	114	95.9 Å²	95.9	50%	0.5	52%	0.521	S	S	.	.			cis	-165.9	179.2	-20.7	-146.3	-95.8	0	0	0	110.5	I529 M535	F16-I529 VanDerWaalsContact O-CG2 3.31Å; F16-I529 WeakPolarHBondContact O-CG2 3.49Å; F16-M535 HydrophobicContact CE2-CG 4.4Å
17	S	28.3	Very low	32.4	Very low	25 Å²	25	91.7 Å²	91.7	18%	0.175	49%	0.49	C	S	.	.			trans	-62.7	-176.7	175.8	-41.6	0	0	0	0	117.1	W530 G532	S17-W530 CarbonylContact C-O 3.29Å; S17-W530 WeakPolarHBondContact CA-O 3.1Å; S17-W530 VanDerWaalsContact OG-CD1 3.24Å; S17-G532 WeakPolarHBondContact CB-O 3.46Å; S17-G532 PolarHBondContact OG-O 2.93Å
18	I	28.3	Very low	32	Very low	102 Å²	102	84.5 Å²	84.5	52%	0.523	45%	0.452	S	S	.	.			cis	-151.3	148.3	33.2	-55.3	166.1	0	0	0	111.8	K531	I18-K531 VanDerWaalsContact C-CA 3.46Å; I18-K531 WeakPolarHBondContact O-CB 3.38Å; I18-K531 WeakPolarHBondContact O-CG 3.03Å
19	N	29.1	Very low	31.9	Very low	112 Å²	112	79.4 Å²	79.4	60%	0.599	43%	0.426	S	S	*	.			trans	78	112.7	-178.8	-51.8	-34.5	0	0	0	122	K531	N19-K531 CarbonylContact C-O 3.6Å; N19-K531 WeakPolarHBondContact CA-O 3.48Å; N19-K531 PolarHBondContact N-O 3.22Å; N19-K531 VanDerWaalsContact N-O 3.13Å; N19-K531 WeakPolarHBondContact O-CB 3.49Å; N19-K531 WeakPolarHBondContact O-CD 3.4Å
20	A	27.3	Very low	31.8	Very low	35 Å²	35	74.7 Å²	74.7	29%	0.289	40%	0.399	S	S	.	.			cis	104.1	108.2	17.9	0	0	0	0	0	116.2	K531	A20-K531 PolarHBondContact N-O 2.85Å
21	T	29.4	Very low	31.9	Very low	85 Å²	85	69.7 Å²	69.7	52%	0.521	38%	0.381	S	S	.	.			trans	98.2	123.5	151.6	70.1	0	0	0	0	121.7	L459 E512	T21-L459 HydrophobicContact CG2-CD2 4.33Å; T21-E512 VanDerWaalsContact CA-OE1 3.24Å; T21-E512 WeakPolarHBondContact CA-OE1 3.26Å; T21-E512 PolarHBondContact N-OE1 2.66Å
22	Q	32	Very low	31.9	Very low	67 Å²	67	66.7 Å²	66.7	31%	0.313	37%	0.365	S	S	.	.			trans	80.4	134.6	172.9	-63.4	-165.9	-114.5	0	0	114.5	E69 T74 E524	Q22-E69 PolarHBondContact NE2-OE2 3.13Å; Q22-T74 PolarHBondContact NE2-OG1 3.34Å; Q22-T74 PolarHBondContact OE1-OG1 3.12Å; Q22-E524 WeakPolarHBondContact O-CA 3.35Å
23	P	38.8	Very low	31.7	Very low	31 Å²	31	57.2 Å²	57.2	20%	0.201	33%	0.328	C	S	.	.			cis	-125	104.6	27.1	38.4	-25.6	0	0	0	116.2	V25 E69	P23-V25 VanDerWaalsContact C-N 3.32Å; P23-V25 PolarHBondContact O-N 3.41Å; P23-E69 WeakPolarHBondContact CA-OE2 3.22Å; P23-E69 WeakPolarHBondContact CB-OE1 3.49Å; P23-E69 WeakPolarHBondContact CB-OE2 3.24Å
24	F	32.7	Very low	31.6	Very low	14 Å²	14	53 Å²	53	6%	0.061	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	44.7	178.7	-148.2	-99.3	0	0	0	116.3	H508 P509 A510 L511	F24-H508 HydrophobicContact CZ-CB 4.38Å; F24-H508 AromaticContact CZ-CE1 3.93Å; F24-H508 AromaticContact CZ-ND1 3.43Å; F24-H508 WeakPolarHBondContact CZ-ND1 3.48Å; F24-P509 HydrophobicContact CD2-CB 4.32Å; F24-P509 HydrophobicContact CD2-CG 4.32Å; F24-P509 HydrophobicContact CE2-CB 3.79Å; F24-P509 HydrophobicContact CE2-CG 3.98Å; F24-P509 WeakPolarHBondContact CE2-O 3.27Å; F24-P509 WeakPolarHBondContact CZ-O 3.34Å; F24-A510 VanDerWaalsContact CE2-O 3.28Å; F24-A510 WeakPolarHBondContact CE2-O 2.95Å; F24-L511 HydrophobicContact CD1-CD2 3.27Å; F24-L511 HydrophobicContact CD1-CG 4.19Å; F24-L511 VanDerWaalsContact CD2-CA 3.49Å; F24-L511 HydrophobicContact CD2-CD2 4.38Å; F24-L511 HydrophobicContact CE1-CB 4.47Å; F24-L511 HydrophobicContact CE1-CD2 3.16Å; F24-L511 HydrophobicContact CE1-CG 3.65Å; F24-L511 HydrophobicContact CE2-CB 4.31Å; F24-L511 HydrophobicContact CE2-CD2 4.34Å; F24-L511 HydrophobicContact CE2-CG 4.31Å; F24-L511 HydrophobicContact CG-CD2 3.88Å; F24-L511 HydrophobicContact CZ-CB 4.17Å; F24-L511 HydrophobicContact CZ-CD2 3.72Å; F24-L511 HydrophobicContact CZ-CG 3.69Å
25	V	33.5	Very low	31.5	Very low	4 Å²	4	54.4 Å²	54.4	2%	0.024	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-25.6	-179.9	169.9	0	0	0	0	111.8	P23 L27 L51 I52 R53 E69	P23-V25 VanDerWaalsContact C-N 3.32Å; P23-V25 PolarHBondContact O-N 3.41Å; V25-L27 PolarHBondContact O-N 2.8Å; V25-L51 WeakPolarHBondContact CG1-O 3.38Å; V25-I52 HydrophobicContact CG1-CG2 4.33Å; V25-R53 HydrophobicContact CG2-CB 4.1Å; V25-E69 HydrophobicContact CG2-CB 4.07Å
26	H	33.8	Very low	31.4	Very low	69 Å²	69	55.2 Å²	55.2	32%	0.319	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	14.9	-132.1	-136	-45.3	0	0	0	118	E69 G72 P509	H26-E69 IonicContact CD2-OE1 3.36Å; H26-G72 WeakPolarHBondContact NE2-CA 3.18Å; H26-G72 PolarHBondContact NE2-N 3.04Å; H26-P509 HydrophobicContact CB-CG 4.24Å
27	L	31.7	Very low	31.1	Very low	16 Å²	16	49.9 Å²	49.9	8%	0.084	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.8	-5.8	176.4	-96	91.3	0	0	0	115	V25 D29 Q30 K493 M494 S507 H508 P509	V25-L27 PolarHBondContact O-N 2.8Å; L27-D29 PolarHBondContact O-N 3.14Å; L27-D29 VanDerWaalsContact O-N 3.14Å; L27-Q30 WeakPolarHBondContact O-CB 3.4Å; L27-Q30 WeakPolarHBondContact O-CG 3.47Å; L27-Q30 PolarHBondContact O-N 3.18Å; L27-K493 WeakPolarHBondContact CD1-O 3.01Å; L27-M494 HydrophobicContact CD2-CB 3.73Å; L27-M494 HydrophobicContact CD2-CE 3.48Å; L27-M494 VanDerWaalsContact CD2-CE 3.48Å; L27-M494 HydrophobicContact CD2-CG 3.38Å; L27-M494 HydrophobicContact CD2-SD 4.08Å; L27-M494 HydrophobicContact CG-CE 4.15Å; L27-S507 CarbonylContact C-O 3.44Å; L27-H508 HydrophobicContact CB-CB 4.43Å; L27-P509 HydrophobicContact CB-CG 4.31Å; L27-P509 HydrophobicContact CD1-CB 4.27Å; L27-P509 HydrophobicContact CD1-CG 3.88Å
28	F	31.1	Very low	31.3	Very low	7 Å²	7	50.3 Å²	50.3	3%	0.031	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.1	162.8	-77.4	-86.5	0	0	0	112.3	Q30 L37 L51 L159 V473 H508	F28-Q30 PolarHBondContact O-N 2.78Å; F28-Q30 VanDerWaalsContact O-N 3.14Å; F28-L37 HydrophobicContact CE1-CD1 4.49Å; F28-L51 HydrophobicContact CB-CB 3.63Å; F28-L51 HydrophobicContact CB-CD1 4.17Å; F28-L51 HydrophobicContact CB-CG 3.53Å; F28-L51 HydrophobicContact CD1-CD1 3.44Å; F28-L51 VanDerWaalsContact CD1-CD1 3.44Å; F28-L51 HydrophobicContact CD1-CG 3.63Å; F28-L51 HydrophobicContact CD2-CB 3.95Å; F28-L51 HydrophobicContact CD2-CD1 3.58Å; F28-L51 HydrophobicContact CD2-CG 3.89Å; F28-L51 HydrophobicContact CE1-CD1 3.52Å; F28-L51 HydrophobicContact CE1-CG 4.23Å; F28-L51 HydrophobicContact CE2-CD1 3.67Å; F28-L51 HydrophobicContact CE2-CG 4.48Å; F28-L51 HydrophobicContact CG-CB 3.81Å; F28-L51 HydrophobicContact CG-CD1 3.46Å; F28-L51 VanDerWaalsContact CG-CD1 3.46Å; F28-L51 HydrophobicContact CG-CG 3.42Å; F28-L51 VanDerWaalsContact CG-CG 3.42Å; F28-L51 HydrophobicContact CZ-CD1 3.64Å; F28-L159 HydrophobicContact CE1-CD1 4.18Å; F28-L159 HydrophobicContact CE1-CD2 3.8Å; F28-L159 HydrophobicContact CZ-CD1 4.3Å; F28-L159 HydrophobicContact CZ-CD2 3.57Å; F28-V473 HydrophobicContact CE1-CG1 4.37Å; F28-V473 HydrophobicContact CE1-CG2 3.65Å; F28-V473 HydrophobicContact CZ-CG2 4.17Å; F28-H508 HydrophobicContact CD2-CB 3.48Å; F28-H508 VanDerWaalsContact CD2-CB 3.48Å; F28-H508 AromaticContact CE1-CD2 3.94Å; F28-H508 HydrophobicContact CE2-CB 3.37Å; F28-H508 AromaticContact CE2-CD2 3.54Å; F28-H508 AromaticContact CE2-CG 3.66Å; F28-H508 HydrophobicContact CG-CB 4.16Å; F28-H508 HydrophobicContact CZ-CB 3.98Å; F28-H508 AromaticContact CZ-CD2 3.27Å; F28-H508 WeakPolarHBondContact CZ-CD2 3.46Å; F28-H508 AromaticContact CZ-CG 3.9Å
29	D	33.2	Very low	31.4	Very low	59 Å²	59	50.3 Å²	50.3	32%	0.316	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-20.3	163.7	-115.4	-65.3	0	0	0	114.8	L27 A31 N50	L27-D29 PolarHBondContact O-N 3.14Å; L27-D29 VanDerWaalsContact O-N 3.14Å; D29-A31 PolarHBondContact O-N 2.97Å; D29-A31 VanDerWaalsContact O-N 3.08Å; D29-N50 PolarHBondContact OD1-ND2 3.1Å; D29-N50 WeakPolarHBondContact OD2-CB 3.39Å; D29-N50 PolarHBondContact OD2-ND2 2.84Å
30	Q	31.4	Very low	31.3	Very low	58 Å²	58	47.4 Å²	47.4	27%	0.271	26%	0.26	S	S	.	.			trans	-83.6	96.8	-174.3	-58	-159.2	-61.6	0	0	110.8	L27 F28 I32 F33 M494 N506	L27-Q30 WeakPolarHBondContact O-CB 3.4Å; L27-Q30 WeakPolarHBondContact O-CG 3.47Å; L27-Q30 PolarHBondContact O-N 3.18Å; F28-Q30 PolarHBondContact O-N 2.78Å; F28-Q30 VanDerWaalsContact O-N 3.14Å; Q30-I32 PolarHBondContact O-N 2.75Å; Q30-F33 PolarHBondContact O-N 3.13Å; Q30-M494 VanDerWaalsContact OE1-CE 3.32Å; Q30-N506 PolarHBondContact NE2-ND2 2.84Å; Q30-N506 PolarHBondContact OE1-ND2 2.97Å
31	A	36	Very low	31.2	Very low	55 Å²	55	50.7 Å²	50.7	46%	0.455	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-19.3	-167.4	0	0	0	0	0	117.7	D29 F33 P48	D29-A31 PolarHBondContact O-N 2.97Å; D29-A31 VanDerWaalsContact O-N 3.08Å; A31-F33 PolarHBondContact O-N 2.94Å; A31-P48 HydrophobicContact CB-CB 4.23Å
32	I	32.2	Very low	31.2	Very low	89 Å²	89	52.6 Å²	52.6	46%	0.456	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.2	176.6	-55.8	177.1	0	0	0	111.5	Q30 R505	Q30-I32 PolarHBondContact O-N 2.75Å; I32-R505 HydrophobicContact CG2-CG 4.12Å; I32-R505 PolarHBondContact O-NH1 3.1Å
33	F	27.7	Very low	31	Very low	4 Å²	4	54 Å²	54	2%	0.018	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-34.5	-174.4	-119	-58	0	0	0	115.3	Q30 A31 Q35 H36 L37 V473 H474 W478 C497 R505 N506 S507	Q30-F33 PolarHBondContact O-N 3.13Å; A31-F33 PolarHBondContact O-N 2.94Å; F33-Q35 PolarHBondContact O-N 2.7Å; F33-H36 PolarHBondContact O-N 3.44Å; F33-L37 PolarHBondContact O-N 3.37Å; F33-V473 HydrophobicContact CB-CG1 4.42Å; F33-V473 HydrophobicContact CD1-CB 4.26Å; F33-V473 HydrophobicContact CD1-CG1 3.19Å; F33-V473 HydrophobicContact CE1-CB 3.98Å; F33-V473 HydrophobicContact CE1-CG1 3.49Å; F33-V473 VanDerWaalsContact CE1-CG1 3.49Å; F33-V473 WeakPolarHBondContact CE1-O 3.15Å; F33-V473 HydrophobicContact CG-CG1 3.9Å; F33-H474 WeakPolarHBondContact CB-NE2 3.44Å; F33-H474 AromaticContact CD1-CD2 3.46Å; F33-H474 VanDerWaalsContact CD1-CD2 3.46Å; F33-H474 WeakPolarHBondContact CD1-CD2 3.31Å; F33-H474 AromaticContact CD1-CG 3.82Å; F33-H474 AromaticContact CD1-ND1 3.41Å; F33-H474 WeakPolarHBondContact CD1-ND1 2.88Å; F33-H474 AromaticContact CD1-NE2 2.71Å; F33-H474 WeakPolarHBondContact CD1-NE2 3.41Å; F33-H474 AromaticContact CD2-NE2 2.38Å; F33-H474 WeakPolarHBondContact CD2-NE2 3.34Å; F33-H474 VanDerWaalsContact CE1-CA 3.41Å; F33-H474 HydrophobicContact CE1-CB 3.31Å; F33-H474 AromaticContact CE1-CD2 2.26Å; F33-H474 WeakPolarHBondContact CE1-CD2 3.47Å; F33-H474 AromaticContact CE1-CE1 3.11Å; F33-H474 WeakPolarHBondContact CE1-CE1 3.31Å; F33-H474 AromaticContact CE1-CG 2.28Å; F33-H474 VanDerWaalsContact CE1-N 3.27Å; F33-H474 AromaticContact CE1-ND1 2.27Å; F33-H474 WeakPolarHBondContact CE1-ND1 3.41Å; F33-H474 AromaticContact CE1-NE2 2.92Å; F33-H474 WeakPolarHBondContact CE1-NE2 3.4Å; F33-H474 AromaticContact CE2-CD2 3.46Å; F33-H474 VanDerWaalsContact CE2-CD2 3.46Å; F33-H474 WeakPolarHBondContact CE2-CD2 3.19Å; F33-H474 AromaticContact CE2-CG 3.86Å; F33-H474 AromaticContact CE2-ND1 3.43Å; F33-H474 WeakPolarHBondContact CE2-ND1 3.27Å; F33-H474 AromaticContact CE2-NE2 2.73Å; F33-H474 WeakPolarHBondContact CE2-NE2 3.27Å; F33-H474 AromaticContact CG-NE2 2.4Å; F33-H474 WeakPolarHBondContact CG-NE2 3.17Å; F33-H474 HydrophobicContact CZ-CB 3.75Å; F33-H474 AromaticContact CZ-CD2 2.25Å; F33-H474 WeakPolarHBondContact CZ-CD2 3.3Å; F33-H474 AromaticContact CZ-CE1 3.09Å; F33-H474 WeakPolarHBondContact CZ-CE1 3.45Å; F33-H474 AromaticContact CZ-CG 2.3Å; F33-H474 AromaticContact CZ-ND1 2.27Å; F33-H474 WeakPolarHBondContact CZ-ND1 3.39Å; F33-H474 AromaticContact CZ-NE2 2.94Å; F33-H474 WeakPolarHBondContact CZ-NE2 3.37Å; F33-W478 AromaticContact CZ-CE3 3.89Å; F33-W478 HydrophobicContact CZ-CE3 3.89Å; F33-W478 HydrophobicContact CZ-CH2 4.44Å; F33-W478 AromaticContact CZ-CZ3 3.81Å; F33-W478 HydrophobicContact CZ-CZ3 3.81Å; F33-C497 HydrophobicContact CZ-CB 4.14Å; F33-R505 HydrophobicContact CD2-CB 3.87Å; F33-R505 HydrophobicContact CE2-CB 3.13Å; F33-R505 HydrophobicContact CE2-CG 4.34Å; F33-R505 HydrophobicContact CZ-CB 3.8Å; F33-N506 WeakPolarHBondContact CD2-O 3.46Å; F33-S507 WeakPolarHBondContact CE2-OG 3.36Å
34	G	31	Very low	30.6	Very low	9 Å²	9	55.5 Å²	55.5	9%	0.093	32%	0.318	C	S	.	.	H	α-helix	trans	-54.3	-30.8	179.8	0	0	0	0	0	114.6	H36 F49	G34-H36 VanDerWaalsContact C-N 3.3Å; G34-H36 PolarHBondContact O-N 2.86Å; G34-F49 VanDerWaalsContact CA-CE1 3.43Å
35	Q	30.3	Very low	30.4	Very low	118 Å²	118	58.1 Å²	58.1	55%	0.551	35%	0.349	S	S	*	.	H	α-helix	trans	-67.3	-18.2	178.7	-62.8	176.1	-14.3	0	0	114.8	F33	F33-Q35 PolarHBondContact O-N 2.7Å
36	H	28.6	Very low	30.5	Very low	87 Å²	87	61.3 Å²	61.3	40%	0.403	37%	0.368	S	S	.	.	H	α-helix	trans	-115.1	-18.5	-179.6	-73.9	-4.6	0	0	0	114.9	F33 G34 K158 R505	F33-H36 PolarHBondContact O-N 3.44Å; G34-H36 VanDerWaalsContact C-N 3.3Å; G34-H36 PolarHBondContact O-N 2.86Å; H36-K158 PolarHBondContact O-NZ 3.08Å; H36-R505 PolarHBondContact CD2-NH1 3.05Å; H36-R505 PolarHBondContact CD2-NH2 2.88Å; H36-R505 VanDerWaalsContact CD2-NH2 3.35Å; H36-R505 PolarHBondContact NE2-NH1 3.02Å; H36-R505 PolarHBondContact NE2-NH2 2.84Å
37	L	27.6	Very low	31	Very low	2 Å²	2	58.9 Å²	58.9	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-49.5	165.8	-101.2	172.4	0	0	0	110.7	F28 F33 A155 K158 V473	F28-L37 HydrophobicContact CE1-CD1 4.49Å; F33-L37 PolarHBondContact O-N 3.37Å; L37-A155 HydrophobicContact CB-CB 4.33Å; L37-A155 HydrophobicContact CD2-CB 3.86Å; L37-K158 HydrophobicContact CD2-CB 3.67Å; L37-K158 HydrophobicContact CD2-CD 3.96Å; L37-K158 PolarHBondContact O-NZ 3.06Å; L37-V473 HydrophobicContact CD1-CB 4.5Å; L37-V473 HydrophobicContact CD1-CG1 3.7Å; L37-V473 HydrophobicContact CD1-CG2 4.35Å; L37-V473 HydrophobicContact CD2-CB 4.26Å; L37-V473 HydrophobicContact CD2-CG1 4.2Å; L37-V473 HydrophobicContact CD2-CG2 4.23Å; L37-V473 HydrophobicContact CG-CB 4.16Å; L37-V473 HydrophobicContact CG-CG1 3.56Å; L37-V473 HydrophobicContact CG-CG2 4.38Å
38	F	32.4	Very low	32.1	Very low	33 Å²	33	62.4 Å²	62.4	15%	0.145	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	1.1	-161	-73.2	-93.9	0	0	0	115.8	I40 F49 A155 T171	F38-I40 HydrophobicContact CB-CD1 3.8Å; F38-I40 HydrophobicContact CB-CG1 3.79Å; F38-I40 PolarHBondContact O-N 3.21Å; F38-F49 HydrophobicContact CD2-CE1 4.04Å; F38-F49 AromaticContact CD2-CZ 3.89Å; F38-F49 HydrophobicContact CD2-CZ 3.89Å; F38-F49 AromaticContact CE2-CE1 3.92Å; F38-F49 HydrophobicContact CE2-CE1 3.92Å; F38-F49 HydrophobicContact CE2-CE2 4.26Å; F38-F49 AromaticContact CE2-CZ 3.45Å; F38-F49 HydrophobicContact CE2-CZ 3.45Å; F38-F49 VanDerWaalsContact CE2-CZ 3.45Å; F38-F49 HydrophobicContact CZ-CZ 4.42Å; F38-A155 HydrophobicContact CD1-CB 4.07Å; F38-A155 HydrophobicContact CD2-CB 4.28Å; F38-A155 HydrophobicContact CE1-CB 3.7Å; F38-A155 HydrophobicContact CE2-CB 3.89Å; F38-A155 HydrophobicContact CG-CB 4.35Å; F38-A155 HydrophobicContact CZ-CB 3.58Å; F38-T171 HydrophobicContact CE2-CG2 4.31Å; F38-T171 HydrophobicContact CZ-CG2 3.88Å
39	T	28.8	Very low	33.5	Very low	103 Å²	103	62.6 Å²	62.6	63%	0.632	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	52.6	-177	41.9	0	0	0	0	112.5
40	I	28.1	Very low	35.5	Very low	50 Å²	50	61 Å²	61	26%	0.256	38%	0.376	S	S	.	.			trans	-88.7	120.1	177.7	-62.5	170.5	0	0	0	107.4	F38 S44 V46	F38-I40 HydrophobicContact CB-CD1 3.8Å; F38-I40 HydrophobicContact CB-CG1 3.79Å; F38-I40 PolarHBondContact O-N 3.21Å; I40-S44 WeakPolarHBondContact CG2-OG 3.45Å; I40-V46 HydrophobicContact CD1-CB 4.28Å; I40-V46 HydrophobicContact CD1-CG1 4.22Å; I40-V46 HydrophobicContact CD1-CG2 4.37Å; I40-V46 HydrophobicContact CG2-CB 4.24Å; I40-V46 HydrophobicContact CG2-CG2 3.75Å
41	D	25.5	Very low	37.6	Very low	104 Å²	104	58.2 Å²	58.2	56%	0.556	36%	0.363	S	S	*	.			trans	-69.4	140.8	174.2	-176.2	29.4	0	0	0	110.2	S43 S44	D41-S43 VanDerWaalsContact CG-OG 3.31Å; D41-S43 PolarHBondContact O-N 3.04Å; D41-S43 WeakPolarHBondContact OD2-CB 3.32Å; D41-S43 PolarHBondContact OD2-OG 3.24Å; D41-S44 WeakPolarHBondContact O-CB 3.43Å; D41-S44 PolarHBondContact O-N 3.33Å; D41-S44 PolarHBondContact O-OG 3.4Å
42	S	28	Very low	39.7	Very low	125 Å²	125	55.6 Å²	55.6	87%	0.874	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.5	-173.2	55.2	0	0	0	0	113.5	S44	S42-S44 VanDerWaalsContact C-N 3.27Å; S42-S44 PolarHBondContact O-N 2.99Å
43	S	27.9	Very low	42	Very low	98 Å²	98	53.1 Å²	53.1	69%	0.685	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.1	169.8	64.4	0	0	0	0	115	D41	D41-S43 VanDerWaalsContact CG-OG 3.31Å; D41-S43 PolarHBondContact O-N 3.04Å; D41-S43 WeakPolarHBondContact OD2-CB 3.32Å; D41-S43 PolarHBondContact OD2-OG 3.24Å
44	S	30.8	Very low	44.6	Very low	62 Å²	62	52.9 Å²	52.9	43%	0.434	33%	0.325	S	S	.	.	S	Bend	trans	-107.2	3.4	-160.8	66.2	0	0	0	0	117.6	I40 D41 S42 V46	I40-S44 WeakPolarHBondContact CG2-OG 3.45Å; D41-S44 WeakPolarHBondContact O-CB 3.43Å; D41-S44 PolarHBondContact O-N 3.33Å; D41-S44 PolarHBondContact O-OG 3.4Å; S42-S44 VanDerWaalsContact C-N 3.27Å; S42-S44 PolarHBondContact O-N 2.99Å; S44-V46 PolarHBondContact O-N 3.21Å
45	G	29.1	Very low	47.2	Very low	69 Å²	69	56.2 Å²	56.2	71%	0.711	34%	0.34	S	S	*	.			trans	62.3	33.4	158.6	0	0	0	0	0	118.4
46	V	35.6	Very low	49.6	Very low	71 Å²	71	52.3 Å²	52.3	43%	0.43	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-84.6	133.7	-173	-175.8	0	0	0	0	114	I40 S44	I40-V46 HydrophobicContact CD1-CB 4.28Å; I40-V46 HydrophobicContact CD1-CG1 4.22Å; I40-V46 HydrophobicContact CD1-CG2 4.37Å; I40-V46 HydrophobicContact CG2-CB 4.24Å; I40-V46 HydrophobicContact CG2-CG2 3.75Å; S44-V46 PolarHBondContact O-N 3.21Å
47	A	43.7	Very low	51.6	Low	17 Å²	17	51.9 Å²	51.9	14%	0.14	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-49.6	154.3	173.7	0	0	0	0	0	117.4	D176	A47-D176 WeakPolarHBondContact CA-OD2 3.24Å; A47-D176 HydrophobicContact CB-CB 3.61Å; A47-D176 WeakPolarHBondContact CB-OD2 3.48Å; A47-D176 PolarHBondContact N-OD2 2.92Å; A47-D176 VanDerWaalsContact N-OD2 3.12Å
48	P	54.6	Low	53.2	Low	90 Å²	90	60.9 Å²	60.9	58%	0.584	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65.3	158.4	164.9	31.8	-36.5	0	0	0	112.1	A31	A31-P48 HydrophobicContact CB-CB 4.23Å
49	F	61.1	Low	54.4	Low	11 Å²	11	60.8 Å²	60.8	5%	0.048	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156	177.9	66.6	-103.4	0	0	0	111.6	G34 F38 L51 T171 R173	G34-F49 VanDerWaalsContact CA-CE1 3.43Å; F38-F49 HydrophobicContact CD2-CE1 4.04Å; F38-F49 AromaticContact CD2-CZ 3.89Å; F38-F49 HydrophobicContact CD2-CZ 3.89Å; F38-F49 AromaticContact CE2-CE1 3.92Å; F38-F49 HydrophobicContact CE2-CE1 3.92Å; F38-F49 HydrophobicContact CE2-CE2 4.26Å; F38-F49 AromaticContact CE2-CZ 3.45Å; F38-F49 HydrophobicContact CE2-CZ 3.45Å; F38-F49 VanDerWaalsContact CE2-CZ 3.45Å; F38-F49 HydrophobicContact CZ-CZ 4.42Å; F49-L51 HydrophobicContact CE2-CD2 4.25Å; F49-T171 HydrophobicContact CD2-CG2 3.59Å; F49-T171 HydrophobicContact CE2-CG2 3.64Å; F49-T171 HydrophobicContact CG-CG2 4.14Å; F49-T171 HydrophobicContact CZ-CG2 4.21Å; F49-R173 HydrophobicContact CB-CB 4.38Å; F49-R173 HydrophobicContact CB-CG 3.79Å
50	N	74.7	Confident	55.8	Low	25 Å²	25	65.8 Å²	65.8	13%	0.134	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	155.4	167.3	-36.3	56.4	0	0	0	107.8	D29 L172	D29-N50 PolarHBondContact OD1-ND2 3.1Å; D29-N50 WeakPolarHBondContact OD2-CB 3.39Å; D29-N50 PolarHBondContact OD2-ND2 2.84Å; N50-L172 HydrophobicContact CB-CB 4.39Å; N50-L172 PolarHBondContact N-O 3.33Å; N50-L172 PolarHBondContact O-N 2.9Å; N50-L172 PolarHBondContact OD1-O 3.11Å
51	L	75.1	Confident	57.7	Low	1 Å²	1	64.9 Å²	64.9	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	168.5	149.3	-73.5	-162.3	0	0	0	108.9	V25 F28 F49 I151 L159 L169 H170 T171	V25-L51 WeakPolarHBondContact CG1-O 3.38Å; F28-L51 HydrophobicContact CB-CB 3.63Å; F28-L51 HydrophobicContact CB-CD1 4.17Å; F28-L51 HydrophobicContact CB-CG 3.53Å; F28-L51 HydrophobicContact CD1-CD1 3.44Å; F28-L51 VanDerWaalsContact CD1-CD1 3.44Å; F28-L51 HydrophobicContact CD1-CG 3.63Å; F28-L51 HydrophobicContact CD2-CB 3.95Å; F28-L51 HydrophobicContact CD2-CD1 3.58Å; F28-L51 HydrophobicContact CD2-CG 3.89Å; F28-L51 HydrophobicContact CE1-CD1 3.52Å; F28-L51 HydrophobicContact CE1-CG 4.23Å; F28-L51 HydrophobicContact CE2-CD1 3.67Å; F28-L51 HydrophobicContact CE2-CG 4.48Å; F28-L51 HydrophobicContact CG-CB 3.81Å; F28-L51 HydrophobicContact CG-CD1 3.46Å; F28-L51 VanDerWaalsContact CG-CD1 3.46Å; F28-L51 HydrophobicContact CG-CG 3.42Å; F28-L51 VanDerWaalsContact CG-CG 3.42Å; F28-L51 HydrophobicContact CZ-CD1 3.64Å; F49-L51 HydrophobicContact CE2-CD2 4.25Å; L51-I151 HydrophobicContact CD1-CD1 3.95Å; L51-I151 HydrophobicContact CD2-CD1 4Å; L51-I151 HydrophobicContact CD2-CG1 4.05Å; L51-L159 HydrophobicContact CD1-CD1 3.81Å; L51-L169 HydrophobicContact CD1-CD1 4.34Å; L51-L169 HydrophobicContact CD1-CD2 3.77Å; L51-L169 HydrophobicContact CD1-CG 3.93Å; L51-H170 CarbonylContact C-O 3.55Å; L51-H170 WeakPolarHBondContact CA-O 3.23Å; L51-H170 WeakPolarHBondContact CD2-O 3.38Å; L51-T171 HydrophobicContact CD2-CG2 3.38Å
52	I	81.6	Confident	60.3	Low	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.6	166.1	51	168.4	0	0	0	109.7	V25 M68 E69 H70 I148 L169 H170 L172	V25-I52 HydrophobicContact CG1-CG2 4.33Å; I52-M68 HydrophobicContact CB-CG 3.96Å; I52-M68 HydrophobicContact CB-SD 4.41Å; I52-M68 HydrophobicContact CD1-CG 3.88Å; I52-M68 HydrophobicContact CD1-SD 3.52Å; I52-M68 VanDerWaalsContact CD1-SD 3.52Å; I52-M68 HydrophobicContact CG1-CG 4.45Å; I52-M68 HydrophobicContact CG2-CG 4.21Å; I52-M68 HydrophobicContact CG2-SD 4.3Å; I52-E69 WeakPolarHBondContact CG2-O 3.25Å; I52-H70 HydrophobicContact CG2-CB 4.39Å; I52-I148 HydrophobicContact CD1-CD1 4.37Å; I52-I148 HydrophobicContact CD1-CG1 3.97Å; I52-I148 HydrophobicContact CD1-CG2 4.22Å; I52-L169 WeakPolarHBondContact O-CA 3.49Å; I52-H170 HydrophobicContact CD1-CB 4.32Å; I52-H170 HydrophobicContact CG1-CB 4.03Å; I52-H170 WeakPolarHBondContact CG1-O 3.38Å; I52-H170 PolarHBondContact N-O 3.04Å; I52-H170 PolarHBondContact O-N 3.03Å; I52-L172 HydrophobicContact CB-CB 4.39Å; I52-L172 HydrophobicContact CD1-CB 3.96Å; I52-L172 HydrophobicContact CD1-CD1 4.14Å; I52-L172 HydrophobicContact CD1-CD2 4.38Å; I52-L172 HydrophobicContact CD1-CG 4.41Å; I52-L172 HydrophobicContact CG1-CB 3.92Å; I52-L172 HydrophobicContact CG2-CB 3.69Å; I52-L172 HydrophobicContact CG2-CD2 3.51Å; I52-L172 HydrophobicContact CG2-CG 4.21Å
53	R	79.5	Confident	63	Low	36 Å²	36	63.8 Å²	63.8	14%	0.136	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	99.8	164.6	-178.3	-178.3	-72.6	-74	-3.1	109.2	V25 L55 M68 R165 D167 G168 L169	V25-R53 HydrophobicContact CG2-CB 4.1Å; R53-L55 HydrophobicContact CG-CD2 3.93Å; R53-L55 HydrophobicContact CG-CG 4.02Å; R53-L55 PolarHBondContact O-N 2.97Å; R53-M68 WeakPolarHBondContact O-CA 3.28Å; R53-R165 VanDerWaalsContact CZ-O 3.26Å; R53-R165 PolarHBondContact NH1-O 3.31Å; R53-R165 PolarHBondContact NH2-O 2.87Å; R53-D167 PolarHBondContact NH1-O 3.31Å; R53-G168 CarbonylContact C-O 3.57Å; R53-G168 WeakPolarHBondContact CA-O 3.26Å; R53-L169 HydrophobicContact CB-CD1 4.28Å
54	L	83.5	Confident	65.8	Low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	100.1	168.2	174.4	66.2	0	0	0	109.8	M56 A66 S67 M68 I125 I127 K134 G168	L54-M56 HydrophobicContact CD1-CG 4.25Å; L54-M56 HydrophobicContact CD2-SD 3.92Å; L54-M56 HydrophobicContact CG-CG 4.08Å; L54-M56 HydrophobicContact CG-SD 4.15Å; L54-A66 HydrophobicContact CD1-CB 4.39Å; L54-S67 CarbonylContact C-O 3.57Å; L54-M68 HydrophobicContact CB-CB 4.48Å; L54-M68 HydrophobicContact CB-CG 4.46Å; L54-M68 HydrophobicContact CD1-CB 4.04Å; L54-I125 HydrophobicContact CD1-CD1 4.1Å; L54-I127 HydrophobicContact CD2-CD1 3.36Å; L54-I127 HydrophobicContact CD2-CG1 3.94Å; L54-I127 HydrophobicContact CD2-CG2 4.42Å; L54-K134 HydrophobicContact CD2-CD 4.08Å; L54-G168 PolarHBondContact N-O 3.32Å; L54-G168 WeakPolarHBondContact O-CA 3.15Å
55	L	84.1	Confident	68.5	Low	78 Å²	78	61.6 Å²	61.6	41%	0.408	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.8	172.3	-66.8	179.1	0	0	0	110.4	R53 A66 S67	R53-L55 HydrophobicContact CG-CD2 3.93Å; R53-L55 HydrophobicContact CG-CG 4.02Å; R53-L55 PolarHBondContact O-N 2.97Å; L55-A66 CarbonylContact O-C 3.58Å; L55-A66 WeakPolarHBondContact O-CA 3.2Å; L55-A66 VanDerWaalsContact O-CB 3.32Å; L55-A66 WeakPolarHBondContact O-CB 3.35Å; L55-S67 PolarHBondContact N-O 2.9Å; L55-S67 PolarHBondContact O-N 2.88Å
56	M	80.4	Confident	71.4	Confident	36 Å²	36	58.5 Å²	58.5	18%	0.177	30%	0.302	C	S	.	.			trans	-128.6	109.5	171.3	-64	172.9	78.9	0	0	108.3	L54 I64 A66 L79 Y113 I127 K134	L54-M56 HydrophobicContact CD1-CG 4.25Å; L54-M56 HydrophobicContact CD2-SD 3.92Å; L54-M56 HydrophobicContact CG-CG 4.08Å; L54-M56 HydrophobicContact CG-SD 4.15Å; M56-I64 HydrophobicContact CB-CD1 4.45Å; M56-I64 HydrophobicContact CE-CD1 3.76Å; M56-A66 HydrophobicContact CG-CB 3.97Å; M56-L79 HydrophobicContact CE-CD1 3.79Å; M56-Y113 HydrophobicContact CE-CD1 4.19Å; M56-Y113 HydrophobicContact CE-CD2 3.39Å; M56-Y113 HydrophobicContact CE-CE1 4.48Å; M56-Y113 HydrophobicContact CE-CE2 3.72Å; M56-Y113 HydrophobicContact CE-CG 3.65Å; M56-I127 HydrophobicContact CE-CB 4.45Å; M56-I127 HydrophobicContact CE-CG2 4.14Å; M56-I127 HydrophobicContact SD-CG2 3.93Å; M56-K134 HydrophobicContact SD-CD 3.67Å; M56-K134 WeakPolarHBondContact SD-CE 3.27Å; M56-K134 PolarHBondContact SD-NZ 2.95Å
57	P	70.6	Confident	73.9	Confident	78 Å²	78	56.1 Å²	56.1	51%	0.506	29%	0.288	S	S	.	.			trans	-69.3	153.5	179.5	29.7	-33.7	0	0	0	111.1	G59 N65	P57-G59 PolarHBondContact O-N 2.82Å; P57-N65 WeakPolarHBondContact CD-O 3.29Å; P57-N65 VanDerWaalsContact CG-O 3.29Å; P57-N65 WeakPolarHBondContact CG-O 3.34Å
58	K	62.7	Low	76	Confident	191 Å²	191	55.3 Å²	55.3	83%	0.83	28%	0.281	S	S	*	.			trans	-74.7	63	178.9	-68.4	-172.3	179.3	-176.7	0	112.5
59	G	57.5	Low	77.1	Confident	32 Å²	32	51.5 Å²	51.5	33%	0.33	26%	0.256	S	S	.	.			trans	-79.7	137.1	170.6	0	0	0	0	0	112.1	P57 R81	P57-G59 PolarHBondContact O-N 2.82Å; G59-R81 PolarHBondContact O-NH2 2.94Å
60	R	58.6	Low	77.9	Confident	207 Å²	207	52.3 Å²	52.3	78%	0.781	26%	0.26	S	S	*	.			trans	-84.3	-6.9	168.8	-67	-171.7	-177.7	-166.2	0.6	113.8
61	G	67.5	Low	77.8	Confident	31 Å²	31	53.8 Å²	53.8	32%	0.32	28%	0.281	S	S	.	.	S	Bend	trans	-66.8	165.4	-178.4	0	0	0	0	0	114.2	R81	G61-R81 PolarHBondContact O-NE 2.81Å; G61-R81 PolarHBondContact O-NH2 2.79Å
62	Q	79.6	Confident	77.4	Confident	82 Å²	82	56.1 Å²	56.1	38%	0.383	31%	0.305	S	S	.	.	S	Bend	trans	-66.3	-28.6	167.8	-171.8	-174.1	92.7	0	0	111.4	K80 R81 M448	Q62-K80 HydrophobicContact CG-CD 4.43Å; Q62-K80 HydrophobicContact CG-CG 4.33Å; Q62-K80 CarbonylContact O-C 3.53Å; Q62-K80 WeakPolarHBondContact O-CA 3.45Å; Q62-R81 WeakPolarHBondContact O-CB 3.46Å; Q62-R81 PolarHBondContact O-N 3.17Å; Q62-M448 HydrophobicContact CB-CE 4.45Å; Q62-M448 HydrophobicContact CB-SD 4.2Å
63	W	84.3	Confident	77.2	Confident	124 Å²	124	62.4 Å²	62.4	47%	0.47	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142	176	-63.5	90.6	0	0	0	110.8	L78 L79 K80	W63-L78 HydrophobicContact CB-CD1 4.24Å; W63-L78 HydrophobicContact CD2-CD1 4.44Å; W63-L78 HydrophobicContact CE3-CD1 3.77Å; W63-L78 HydrophobicContact CE3-CD2 4.16Å; W63-L78 HydrophobicContact CE3-CG 3.66Å; W63-L78 HydrophobicContact CZ3-CD2 4.18Å; W63-L78 HydrophobicContact CZ3-CG 3.9Å; W63-L79 CarbonylContact C-O 3.35Å; W63-L79 VanDerWaalsContact CA-O 3.29Å; W63-L79 WeakPolarHBondContact CA-O 3.28Å; W63-K80 HydrophobicContact CD2-CB 4.18Å; W63-K80 HydrophobicContact CE3-CB 3.83Å; W63-K80 HydrophobicContact CH2-CB 3.93Å; W63-K80 HydrophobicContact CH2-CD 4.22Å; W63-K80 HydrophobicContact CZ2-CB 4.24Å; W63-K80 HydrophobicContact CZ2-CD 3.86Å; W63-K80 HydrophobicContact CZ3-CB 3.7Å
64	I	86.5	Confident	77.4	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.046	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.6	171.6	62.8	171.5	0	0	0	110.5	M56 L79 Y113	M56-I64 HydrophobicContact CB-CD1 4.45Å; M56-I64 HydrophobicContact CE-CD1 3.76Å; I64-L79 HydrophobicContact CG1-CB 4.02Å; I64-L79 HydrophobicContact CG1-CD1 4.44Å; I64-L79 PolarHBondContact N-O 2.9Å; I64-L79 PolarHBondContact O-N 3.21Å; I64-Y113 HydrophobicContact CD1-CD1 3.61Å; I64-Y113 HydrophobicContact CD1-CE1 3.42Å; I64-Y113 VanDerWaalsContact CD1-CE1 3.42Å; I64-Y113 HydrophobicContact CD1-CG 4.39Å; I64-Y113 HydrophobicContact CG1-CD1 4.04Å; I64-Y113 HydrophobicContact CG1-CE1 4.12Å
65	N	88.2	Confident	77.6	Confident	105 Å²	105	64.4 Å²	64.4	56%	0.561	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	127.1	169.8	-64.8	-3.9	0	0	0	108.6	P57 F77	P57-N65 WeakPolarHBondContact CD-O 3.29Å; P57-N65 VanDerWaalsContact CG-O 3.29Å; P57-N65 WeakPolarHBondContact CG-O 3.34Å; N65-F77 CarbonylContact C-O 3.53Å; N65-F77 WeakPolarHBondContact CA-O 3.38Å
66	A	90.5	Very high	78	Confident	5 Å²	5	64.5 Å²	64.5	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	162	170.3	0	0	0	0	0	110.3	L54 L55 M56 F77 L79	L54-A66 HydrophobicContact CD1-CB 4.39Å; L55-A66 CarbonylContact O-C 3.58Å; L55-A66 WeakPolarHBondContact O-CA 3.2Å; L55-A66 VanDerWaalsContact O-CB 3.32Å; L55-A66 WeakPolarHBondContact O-CB 3.35Å; M56-A66 HydrophobicContact CG-CB 3.97Å; A66-F77 HydrophobicContact CB-CB 4.4Å; A66-F77 PolarHBondContact N-O 2.87Å; A66-F77 PolarHBondContact O-N 2.8Å; A66-L79 HydrophobicContact CB-CD1 3.58Å; A66-L79 HydrophobicContact CB-CG 4.06Å
67	S	88.5	Confident	78.6	Confident	20 Å²	20	62.8 Å²	62.8	14%	0.14	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.6	163.8	61.3	0	0	0	0	111.2	L54 L55 Y75	L54-S67 CarbonylContact C-O 3.57Å; L55-S67 PolarHBondContact N-O 2.9Å; L55-S67 PolarHBondContact O-N 2.88Å; S67-Y75 CarbonylContact C-O 3.19Å; S67-Y75 VanDerWaalsContact CA-O 3.28Å; S67-Y75 WeakPolarHBondContact CA-O 3.42Å
68	M	87.1	Confident	79.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.1	175.1	177.6	-148.6	74.7	0	0	108.1	I52 R53 L54 H70 Y75 F77 L138	I52-M68 HydrophobicContact CB-CG 3.96Å; I52-M68 HydrophobicContact CB-SD 4.41Å; I52-M68 HydrophobicContact CD1-CG 3.88Å; I52-M68 HydrophobicContact CD1-SD 3.52Å; I52-M68 VanDerWaalsContact CD1-SD 3.52Å; I52-M68 HydrophobicContact CG1-CG 4.45Å; I52-M68 HydrophobicContact CG2-CG 4.21Å; I52-M68 HydrophobicContact CG2-SD 4.3Å; R53-M68 WeakPolarHBondContact O-CA 3.28Å; L54-M68 HydrophobicContact CB-CB 4.48Å; L54-M68 HydrophobicContact CB-CG 4.46Å; L54-M68 HydrophobicContact CD1-CB 4.04Å; M68-H70 HydrophobicContact CE-CB 3.94Å; M68-Y75 HydrophobicContact CE-CD2 4.14Å; M68-Y75 PolarHBondContact N-O 3.47Å; M68-Y75 PolarHBondContact O-N 3.05Å; M68-F77 HydrophobicContact CB-CE2 4.04Å; M68-F77 HydrophobicContact CE-CE2 4.33Å; M68-F77 HydrophobicContact CE-CZ 4.25Å; M68-L138 HydrophobicContact CE-CD1 4.1Å; M68-L138 HydrophobicContact CE-CD2 3.44Å; M68-L138 VanDerWaalsContact CE-CD2 3.44Å; M68-L138 HydrophobicContact CE-CG 4.41Å; M68-L138 HydrophobicContact SD-CD2 4.13Å
69	E	77.7	Confident	81	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.2	177.5	-157	-161	130.6	0	0	110.7	Q22 P23 V25 H26 I52 K73	Q22-E69 PolarHBondContact NE2-OE2 3.13Å; P23-E69 WeakPolarHBondContact CA-OE2 3.22Å; P23-E69 WeakPolarHBondContact CB-OE1 3.49Å; P23-E69 WeakPolarHBondContact CB-OE2 3.24Å; V25-E69 HydrophobicContact CG2-CB 4.07Å; H26-E69 IonicContact CD2-OE1 3.36Å; I52-E69 WeakPolarHBondContact CG2-O 3.25Å; E69-K73 WeakPolarHBondContact CA-O 3.31Å; E69-K73 WeakPolarHBondContact CG-O 3.04Å
70	H	76.8	Confident	82.5	Confident	28 Å²	28	52.8 Å²	52.8	13%	0.13	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	141.8	176.1	171.5	64.4	0	0	0	109.9	I52 M68 G72 K73 Y75 L146 L172	I52-H70 HydrophobicContact CG2-CB 4.39Å; M68-H70 HydrophobicContact CE-CB 3.94Å; H70-G72 PolarHBondContact O-N 3.29Å; H70-G72 VanDerWaalsContact O-N 3.15Å; H70-K73 PolarHBondContact N-O 3.07Å; H70-K73 PolarHBondContact O-N 2.94Å; H70-Y75 HydrophobicContact CB-CE2 4.28Å; H70-L146 VanDerWaalsContact NE2-CD1 3.34Å; H70-L146 WeakPolarHBondContact NE2-CD1 3.45Å; H70-L172 HydrophobicContact CB-CD2 4.17Å
71	G	72.7	Confident	83.8	Confident	56 Å²	56	45 Å²	45	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	25.5	178.5	0	0	0	0	0	114.6	K73	G71-K73 VanDerWaalsContact C-N 3.32Å
72	G	67.5	Low	84.7	Confident	50 Å²	50	45 Å²	45	52%	0.515	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	15.6	-176.1	0	0	0	0	0	114.9	H26 H70	H26-G72 WeakPolarHBondContact NE2-CA 3.18Å; H26-G72 PolarHBondContact NE2-N 3.04Å; H70-G72 PolarHBondContact O-N 3.29Å; H70-G72 VanDerWaalsContact O-N 3.15Å
73	K	77.8	Confident	84.7	Confident	132 Å²	132	44.3 Å²	44.3	57%	0.574	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	172.3	-64.4	-180	-177.3	176.5	0	110.1	E69 H70 G71 Y75	E69-K73 WeakPolarHBondContact CA-O 3.31Å; E69-K73 WeakPolarHBondContact CG-O 3.04Å; H70-K73 PolarHBondContact N-O 3.07Å; H70-K73 PolarHBondContact O-N 2.94Å; G71-K73 VanDerWaalsContact C-N 3.32Å; K73-Y75 HydrophobicContact CB-CD2 4.44Å; K73-Y75 HydrophobicContact CB-CE2 3.78Å; K73-Y75 WeakPolarHBondContact O-CD2 3.4Å; K73-Y75 WeakPolarHBondContact O-CE2 3.29Å
74	T	83.4	Confident	84.5	Confident	45 Å²	45	39.9 Å²	39.9	28%	0.276	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.3	165.7	-57.8	0	0	0	0	109.4	Q22 H76	Q22-T74 PolarHBondContact NE2-OG1 3.34Å; Q22-T74 PolarHBondContact OE1-OG1 3.12Å; T74-H76 WeakPolarHBondContact CG2-NE2 3.05Å
75	Y	88.5	Confident	84.4	Confident	33 Å²	33	39.5 Å²	39.5	13%	0.129	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.9	170.7	-60.5	-90.7	0	0	0	108.6	S67 M68 H70 K73 F77 A117 V123 M140	S67-Y75 CarbonylContact C-O 3.19Å; S67-Y75 VanDerWaalsContact CA-O 3.28Å; S67-Y75 WeakPolarHBondContact CA-O 3.42Å; M68-Y75 HydrophobicContact CE-CD2 4.14Å; M68-Y75 PolarHBondContact N-O 3.47Å; M68-Y75 PolarHBondContact O-N 3.05Å; H70-Y75 HydrophobicContact CB-CE2 4.28Å; K73-Y75 HydrophobicContact CB-CD2 4.44Å; K73-Y75 HydrophobicContact CB-CE2 3.78Å; K73-Y75 WeakPolarHBondContact O-CD2 3.4Å; K73-Y75 WeakPolarHBondContact O-CE2 3.29Å; Y75-F77 HydrophobicContact CG-CE2 4.47Å; Y75-F77 HydrophobicContact CG-CZ 4.25Å; Y75-F77 WeakPolarHBondContact O-CD2 3.27Å; Y75-F77 WeakPolarHBondContact O-CE2 3.29Å; Y75-A117 HydrophobicContact CD1-CB 4.39Å; Y75-V123 HydrophobicContact CD1-CG1 3.91Å; Y75-V123 HydrophobicContact CE1-CG1 4.15Å; Y75-V123 HydrophobicContact CE1-CG2 4.3Å; Y75-M140 WeakPolarHBondContact OH-CE 3.16Å
76	H	92.6	Very high	84.1	Confident	79 Å²	79	34.9 Å²	34.9	37%	0.366	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.6	167.6	-61.7	-85	0	0	0	108.7	T74 A117 L118 H119	T74-H76 WeakPolarHBondContact CG2-NE2 3.05Å; H76-A117 CarbonylContact O-C 3.27Å; H76-A117 VanDerWaalsContact O-CA 3.25Å; H76-A117 WeakPolarHBondContact O-CA 3.42Å; H76-L118 HydrophobicContact CB-CD1 4.02Å; H76-L118 PolarHBondContact O-N 2.74Å; H76-H119 AromaticContact CD2-NE2 3.6Å
77	F	93.1	Very high	83.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142	-177.2	-59	-97.9	0	0	0	111.8	N65 A66 M68 Y75 L79 Y116 A117 V123 I125 L138	N65-F77 CarbonylContact C-O 3.53Å; N65-F77 WeakPolarHBondContact CA-O 3.38Å; A66-F77 HydrophobicContact CB-CB 4.4Å; A66-F77 PolarHBondContact N-O 2.87Å; A66-F77 PolarHBondContact O-N 2.8Å; M68-F77 HydrophobicContact CB-CE2 4.04Å; M68-F77 HydrophobicContact CE-CE2 4.33Å; M68-F77 HydrophobicContact CE-CZ 4.25Å; Y75-F77 HydrophobicContact CG-CE2 4.47Å; Y75-F77 HydrophobicContact CG-CZ 4.25Å; Y75-F77 WeakPolarHBondContact O-CD2 3.27Å; Y75-F77 WeakPolarHBondContact O-CE2 3.29Å; F77-L79 HydrophobicContact CB-CD2 3.67Å; F77-L79 HydrophobicContact CB-CG 4.26Å; F77-L79 HydrophobicContact CG-CD2 4.47Å; F77-Y116 VanDerWaalsContact CA-O 3.26Å; F77-Y116 WeakPolarHBondContact CA-O 3.27Å; F77-A117 HydrophobicContact CD1-CB 4.03Å; F77-A117 HydrophobicContact CE1-CB 4Å; F77-V123 HydrophobicContact CE1-CG1 4.05Å; F77-V123 HydrophobicContact CZ-CG1 4.36Å; F77-I125 HydrophobicContact CB-CG2 4.27Å; F77-I125 HydrophobicContact CD1-CB 3.95Å; F77-I125 HydrophobicContact CD1-CG2 3.39Å; F77-I125 HydrophobicContact CE1-CB 3.79Å; F77-I125 HydrophobicContact CE1-CD1 4.33Å; F77-I125 HydrophobicContact CE1-CG2 3.79Å; F77-I125 HydrophobicContact CE2-CD1 4.28Å; F77-I125 HydrophobicContact CG-CG2 3.88Å; F77-I125 HydrophobicContact CZ-CB 4.42Å; F77-I125 HydrophobicContact CZ-CD1 4.15Å; F77-L138 HydrophobicContact CE1-CD1 3.91Å; F77-L138 HydrophobicContact CZ-CD1 3.63Å
78	L	91.1	Very high	82.4	Confident	38 Å²	38	42.1 Å²	42.1	20%	0.199	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115	164.1	177.8	60.3	0	0	0	108.6	W63 G115 Y116 L118	W63-L78 HydrophobicContact CB-CD1 4.24Å; W63-L78 HydrophobicContact CD2-CD1 4.44Å; W63-L78 HydrophobicContact CE3-CD1 3.77Å; W63-L78 HydrophobicContact CE3-CD2 4.16Å; W63-L78 HydrophobicContact CE3-CG 3.66Å; W63-L78 HydrophobicContact CZ3-CD2 4.18Å; W63-L78 HydrophobicContact CZ3-CG 3.9Å; L78-G115 VanDerWaalsContact O-CA 3.27Å; L78-G115 WeakPolarHBondContact O-CA 3.16Å; L78-Y116 PolarHBondContact N-O 2.83Å; L78-Y116 PolarHBondContact O-N 3.03Å; L78-L118 HydrophobicContact CB-CD2 3.86Å
79	L	90.9	Very high	81.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	-176.6	-48.9	-176.1	0	0	0	111.2	M56 W63 I64 A66 F77 D114 I125	M56-L79 HydrophobicContact CE-CD1 3.79Å; W63-L79 CarbonylContact C-O 3.35Å; W63-L79 VanDerWaalsContact CA-O 3.29Å; W63-L79 WeakPolarHBondContact CA-O 3.28Å; I64-L79 HydrophobicContact CG1-CB 4.02Å; I64-L79 HydrophobicContact CG1-CD1 4.44Å; I64-L79 PolarHBondContact N-O 2.9Å; I64-L79 PolarHBondContact O-N 3.21Å; A66-L79 HydrophobicContact CB-CD1 3.58Å; A66-L79 HydrophobicContact CB-CG 4.06Å; F77-L79 HydrophobicContact CB-CD2 3.67Å; F77-L79 HydrophobicContact CB-CG 4.26Å; F77-L79 HydrophobicContact CG-CD2 4.47Å; L79-D114 CarbonylContact C-O 3.57Å; L79-D114 WeakPolarHBondContact CA-O 3.41Å; L79-I125 HydrophobicContact CD2-CG2 3.29Å
80	K	89	Confident	80.6	Confident	54 Å²	54	46 Å²	46	24%	0.235	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.1	164.7	177.8	153.3	175.8	156.6	0	109.4	Q62 W63 Y113 D114	Q62-K80 HydrophobicContact CG-CD 4.43Å; Q62-K80 HydrophobicContact CG-CG 4.33Å; Q62-K80 CarbonylContact O-C 3.53Å; Q62-K80 WeakPolarHBondContact O-CA 3.45Å; W63-K80 HydrophobicContact CD2-CB 4.18Å; W63-K80 HydrophobicContact CE3-CB 3.83Å; W63-K80 HydrophobicContact CH2-CB 3.93Å; W63-K80 HydrophobicContact CH2-CD 4.22Å; W63-K80 HydrophobicContact CZ2-CB 4.24Å; W63-K80 HydrophobicContact CZ2-CD 3.86Å; W63-K80 HydrophobicContact CZ3-CB 3.7Å; K80-Y113 VanDerWaalsContact O-CA 3.29Å; K80-Y113 WeakPolarHBondContact O-CA 3.02Å; K80-D114 PolarHBondContact N-O 2.85Å; K80-D114 PolarHBondContact O-N 2.78Å
81	R	87.5	Confident	79.6	Confident	44 Å²	44	48 Å²	48	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135.7	165.5	-174.6	-169.7	-52.3	-78	-12.6	109	G59 G61 Q62 S110 L112 Y113	G59-R81 PolarHBondContact O-NH2 2.94Å; G61-R81 PolarHBondContact O-NE 2.81Å; G61-R81 PolarHBondContact O-NH2 2.79Å; Q62-R81 WeakPolarHBondContact O-CB 3.46Å; Q62-R81 PolarHBondContact O-N 3.17Å; R81-S110 PolarHBondContact NH1-O 2.89Å; R81-L112 CarbonylContact C-O 3.56Å; R81-L112 WeakPolarHBondContact CA-O 3.3Å; R81-Y113 HydrophobicContact CB-CD1 4.03Å; R81-Y113 HydrophobicContact CB-CE1 4Å; R81-Y113 HydrophobicContact CG-CD1 4.39Å; R81-Y113 HydrophobicContact CG-CE1 4.06Å; R81-Y113 PolarHBondContact NH1-OH 3.49Å
82	R	84.6	Confident	78.4	Confident	31 Å²	31	48.2 Å²	48.2	12%	0.117	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.6	169.9	-58.8	-57.9	176.3	166	6.1	109.9	D84 L112 D114	R82-D84 WeakPolarHBondContact CA-OD1 3.31Å; R82-D84 WeakPolarHBondContact CB-OD1 3.25Å; R82-D84 WeakPolarHBondContact CD-OD1 3.45Å; R82-D84 IonicContact NH1-OD2 3.41Å; R82-L112 HydrophobicContact CB-CB 3.91Å; R82-L112 PolarHBondContact N-O 3.2Å; R82-D114 WeakPolarHBondContact CD-OD2 3.32Å; R82-D114 WeakPolarHBondContact CG-OD2 3.25Å; R82-D114 IonicContact CZ-OD1 3.77Å; R82-D114 IonicContact CZ-OD2 3.87Å; R82-D114 IonicContact NE-OD1 3.09Å; R82-D114 IonicContact NE-OD2 2.69Å; R82-D114 PolarHBondContact NE-OD2 3.34Å; R82-D114 IonicContact NH2-OD1 2.83Å; R82-D114 PolarHBondContact NH2-OD1 2.93Å; R82-D114 IonicContact NH2-OD2 3.53Å; R82-D114 PolarHBondContact NH2-OD2 3.36Å
83	T	80.3	Confident	77.1	Confident	67 Å²	67	51.2 Å²	51.2	41%	0.411	24%	0.236	S	C	.	.			trans	-128.6	1.7	168.4	50.6	0	0	0	0	109.8	Y109	T83-Y109 HydrophobicContact CG2-CE1 4.12Å; T83-Y109 VanDerWaalsContact O-CE2 3.27Å; T83-Y109 WeakPolarHBondContact O-CE2 3.36Å; T83-Y109 PolarHBondContact O-OH 3.41Å
84	D	79.7	Confident	75	Confident	31 Å²	31	51.2 Å²	51.2	17%	0.166	24%	0.242	C	C	.	.			trans	-98.3	17	-175.8	57.6	-52.5	0	0	0	113.4	R82 R268	R82-D84 WeakPolarHBondContact CA-OD1 3.31Å; R82-D84 WeakPolarHBondContact CB-OD1 3.25Å; R82-D84 WeakPolarHBondContact CD-OD1 3.45Å; R82-D84 IonicContact NH1-OD2 3.41Å; D84-R268 IonicContact OD2-CZ 2.84Å; D84-R268 IonicContact OD2-NH1 3.58Å; D84-R268 PolarHBondContact OD2-NH1 2.87Å; D84-R268 IonicContact OD2-NH2 2.67Å; D84-R268 PolarHBondContact OD2-NH2 3.45Å; D84-R268 VanDerWaalsContact OD2-NH2 3.1Å
85	L	85	Confident	72.6	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-96.9	-25.7	176.7	-171.3	71.9	0	0	0	113.1	L112 V257 V260 H261 N264 Q279 I280	L85-L112 HydrophobicContact CB-CD1 3.47Å; L85-L112 VanDerWaalsContact CB-CD1 3.47Å; L85-L112 HydrophobicContact CD2-CD1 3.52Å; L85-L112 HydrophobicContact CD2-CD2 4.11Å; L85-L112 HydrophobicContact CD2-CG 4.42Å; L85-L112 HydrophobicContact CG-CD1 4.1Å; L85-V257 HydrophobicContact CD2-CG1 4.42Å; L85-V260 HydrophobicContact CD1-CG1 4.42Å; L85-H261 HydrophobicContact CD2-CB 3.68Å; L85-N264 HydrophobicContact CD1-CB 3.96Å; L85-N264 WeakPolarHBondContact CD1-ND2 3.11Å; L85-Q279 CarbonylContact O-C 3.6Å; L85-Q279 WeakPolarHBondContact O-CA 3.42Å; L85-I280 HydrophobicContact CD2-CD1 4.18Å; L85-I280 HydrophobicContact CG-CD1 4.06Å; L85-I280 HydrophobicContact CG-CG1 4.36Å; L85-I280 WeakPolarHBondContact O-CG1 3.45Å; L85-I280 PolarHBondContact O-N 3.26Å
86	F	81.1	Confident	69.9	Low	9 Å²	9	62.6 Å²	62.6	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.7	173.4	-65.4	-91.7	0	0	0	108.2	F90 Y105 Y109 L112 V257 I280	F86-F90 HydrophobicContact CD1-CD1 4.47Å; F86-F90 AromaticContact CD1-CD2 3.93Å; F86-F90 HydrophobicContact CD1-CD2 3.93Å; F86-F90 HydrophobicContact CD1-CE2 4.06Å; F86-F90 HydrophobicContact CD1-CG 4.14Å; F86-F90 HydrophobicContact CD1-CZ 4.38Å; F86-F90 HydrophobicContact CE1-CE2 4.27Å; F86-F90 HydrophobicContact CE1-CZ 4.3Å; F86-Y105 HydrophobicContact CB-CE2 3.94Å; F86-Y105 WeakPolarHBondContact CB-OH 3.44Å; F86-Y105 HydrophobicContact CD1-CD2 4.3Å; F86-Y105 AromaticContact CD1-CE2 3.61Å; F86-Y105 HydrophobicContact CD1-CE2 3.61Å; F86-Y105 HydrophobicContact CD2-CE2 4.26Å; F86-Y105 HydrophobicContact CE1-CD2 4.31Å; F86-Y105 HydrophobicContact CE1-CE2 4.05Å; F86-Y105 AromaticContact CG-CE2 3.7Å; F86-Y105 HydrophobicContact CG-CE2 3.7Å; F86-Y109 HydrophobicContact CB-CD2 4.06Å; F86-Y109 HydrophobicContact CB-CE2 4.3Å; F86-Y109 AromaticContact CD2-CD2 3.76Å; F86-Y109 HydrophobicContact CD2-CD2 3.76Å; F86-Y109 HydrophobicContact CG-CD2 4.27Å; F86-L112 HydrophobicContact CD2-CD1 4.2Å; F86-L112 HydrophobicContact CE2-CD1 4.05Å; F86-V257 HydrophobicContact CE1-CG2 4.07Å; F86-V257 HydrophobicContact CE2-CG1 4.06Å; F86-V257 HydrophobicContact CZ-CB 4.36Å; F86-V257 HydrophobicContact CZ-CG1 3.74Å; F86-V257 HydrophobicContact CZ-CG2 3.6Å; F86-I280 HydrophobicContact CD1-CB 3.98Å; F86-I280 HydrophobicContact CD1-CD1 4.15Å; F86-I280 HydrophobicContact CD1-CG2 4.26Å; F86-I280 HydrophobicContact CE1-CD1 3.96Å; F86-I280 HydrophobicContact CZ-CD1 4.36Å
87	D	77.6	Confident	67	Low	14 Å²	14	67.6 Å²	67.6	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	152.9	170.8	178.9	-123.5	0	0	0	111.2	H89 F90 I280 K281	D87-H89 PolarHBondContact O-N 2.79Å; D87-H89 WeakPolarHBondContact OD1-CA 3.35Å; D87-H89 VanDerWaalsContact OD1-CB 3.23Å; D87-H89 WeakPolarHBondContact OD1-CB 3.4Å; D87-H89 IonicContact OD1-CG 3.64Å; D87-H89 PolarHBondContact OD1-N 2.87Å; D87-H89 IonicContact OD1-ND1 3.8Å; D87-H89 PolarHBondContact OD1-ND1 3.29Å; D87-H89 VanDerWaalsContact OD1-ND1 3.09Å; D87-H89 IonicContact OD2-ND1 2.64Å; D87-F90 WeakPolarHBondContact O-CB 3.28Å; D87-F90 PolarHBondContact O-N 3.07Å; D87-I280 PolarHBondContact N-O 2.92Å; D87-K281 HydrophobicContact CB-CD 3.68Å; D87-K281 HydrophobicContact CB-CG 4.33Å; D87-K281 WeakPolarHBondContact OD1-CE 3.27Å; D87-K281 IonicContact OD1-NZ 3.22Å
88	R	65.8	Low	63.9	Low	162 Å²	162	74.8 Å²	74.8	61%	0.611	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	-25.8	174.3	60.9	178.5	169.7	162.2	-11.2	113.6	D443	R88-D443 IonicContact CZ-OD2 2.68Å; R88-D443 IonicContact NH1-OD2 3.53Å; R88-D443 PolarHBondContact NH1-OD2 3.41Å; R88-D443 IonicContact NH2-OD2 3.67Å; R88-D443 PolarHBondContact NH2-OD2 3Å
89	H	65.2	Low	61.2	Low	66 Å²	66	75.8 Å²	75.8	31%	0.306	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	21	173.4	-42	96	0	0	0	112.5	D87 H91 P325	D87-H89 PolarHBondContact O-N 2.79Å; D87-H89 WeakPolarHBondContact OD1-CA 3.35Å; D87-H89 VanDerWaalsContact OD1-CB 3.23Å; D87-H89 WeakPolarHBondContact OD1-CB 3.4Å; D87-H89 IonicContact OD1-CG 3.64Å; D87-H89 PolarHBondContact OD1-N 2.87Å; D87-H89 IonicContact OD1-ND1 3.8Å; D87-H89 PolarHBondContact OD1-ND1 3.29Å; D87-H89 VanDerWaalsContact OD1-ND1 3.09Å; D87-H89 IonicContact OD2-ND1 2.64Å; H89-H91 PolarHBondContact O-CE1 3.26Å; H89-H91 PolarHBondContact O-N 3.36Å; H89-H91 PolarHBondContact O-ND1 2.95Å; H89-P325 HydrophobicContact CB-CB 4.23Å
90	F	62.9	Low	58.6	Low	28 Å²	28	84.3 Å²	84.3	12%	0.123	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	126	177.4	170.2	-97.6	0	0	0	112	F86 D87 E92 Y105 I280 K281	F86-F90 HydrophobicContact CD1-CD1 4.47Å; F86-F90 AromaticContact CD1-CD2 3.93Å; F86-F90 HydrophobicContact CD1-CD2 3.93Å; F86-F90 HydrophobicContact CD1-CE2 4.06Å; F86-F90 HydrophobicContact CD1-CG 4.14Å; F86-F90 HydrophobicContact CD1-CZ 4.38Å; F86-F90 HydrophobicContact CE1-CE2 4.27Å; F86-F90 HydrophobicContact CE1-CZ 4.3Å; D87-F90 WeakPolarHBondContact O-CB 3.28Å; D87-F90 PolarHBondContact O-N 3.07Å; F90-E92 HydrophobicContact CE1-CB 4.28Å; F90-E92 HydrophobicContact CZ-CB 4.47Å; F90-Y105 HydrophobicContact CB-CE2 4.33Å; F90-Y105 AromaticContact CD1-CD2 3.56Å; F90-Y105 HydrophobicContact CD1-CD2 3.56Å; F90-Y105 AromaticContact CD1-CE2 3.39Å; F90-Y105 HydrophobicContact CD1-CE2 3.39Å; F90-Y105 AromaticContact CE1-CD2 3.58Å; F90-Y105 HydrophobicContact CE1-CD2 3.58Å; F90-Y105 AromaticContact CE1-CE2 3.86Å; F90-Y105 HydrophobicContact CE1-CE2 3.86Å; F90-Y105 AromaticContact CG-CE2 3.97Å; F90-Y105 HydrophobicContact CG-CE2 3.97Å; F90-I280 HydrophobicContact CD2-CG2 3.91Å; F90-I280 WeakPolarHBondContact CD2-O 3.44Å; F90-I280 HydrophobicContact CE2-CG2 3.69Å; F90-K281 WeakPolarHBondContact CA-O 3.47Å
91	H	55.5	Low	56.4	Low	69 Å²	69	90.1 Å²	90.1	32%	0.319	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.9	-174.9	-69.7	-19.6	0	0	0	112.4	H89 M93 K281	H89-H91 PolarHBondContact O-CE1 3.26Å; H89-H91 PolarHBondContact O-N 3.36Å; H89-H91 PolarHBondContact O-ND1 2.95Å; H91-M93 PolarHBondContact O-N 2.04Å; H91-K281 PolarHBondContact N-O 3.34Å
92	E	48.4	Very low	54.5	Low	61 Å²	61	89 Å²	89	29%	0.285	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	98	164.5	-172.7	172.6	180	0	0	109.3	F90 N94 S102 Y283	F90-E92 HydrophobicContact CE1-CB 4.28Å; F90-E92 HydrophobicContact CZ-CB 4.47Å; E92-N94 PolarHBondContact O-N 2.93Å; E92-S102 WeakPolarHBondContact OE2-CB 3.19Å; E92-S102 PolarHBondContact OE2-OG 2.91Å; E92-Y283 HydrophobicContact CG-CD1 4.36Å
93	M	39.9	Very low	52.7	Low	113 Å²	113	93.5 Å²	93.5	56%	0.557	45%	0.454	S	S	*	.			trans	-81.9	106.3	178.9	-77.5	-157.8	-67.7	0	0	112.2	H91	H91-M93 PolarHBondContact O-N 2.04Å
94	N	33.4	Very low	51.3	Low	131 Å²	131	93.6 Å²	93.6	70%	0.701	45%	0.449	S	S	*	.			trans	-77.7	166	145.7	-161.4	-8	0	0	0	109.3	E92 N96	E92-N94 PolarHBondContact O-N 2.93Å; N94-N96 PolarHBondContact O-N 3.05Å
95	K	33	Very low	50.2	Low	187 Å²	187	93.4 Å²	93.4	81%	0.813	45%	0.446	S	S	*	.	S	Bend	trans	-68.6	-2.8	-171	-72	-166	172.6	-165.6	0	116.3
96	N	30.7	Very low	48.9	Very low	130 Å²	130	97 Å²	97	70%	0.695	47%	0.465	S	S	*	.	S	Bend	trans	-101.1	129.5	179.3	-61.8	-10	0	0	0	108.6	N94 L98	N94-N96 PolarHBondContact O-N 3.05Å; N96-L98 VanDerWaalsContact C-N 3.31Å; N96-L98 PolarHBondContact O-N 3.09Å
97	H	31.9	Very low	47.8	Very low	184 Å²	184	100 Å²	100	85%	0.852	48%	0.482	S	S	*	.	S	Bend	trans	-76.3	67.5	-164.5	-64.9	-71.6	0	0	0	115.2
98	L	28.4	Very low	47.1	Very low	152 Å²	152	99.8 Å²	99.8	80%	0.796	48%	0.48	S	S	*	.	S	Bend	trans	-176.9	127.6	153.4	-101.3	162.8	0	0	0	106.6	N96 E100	N96-L98 VanDerWaalsContact C-N 3.31Å; N96-L98 PolarHBondContact O-N 3.09Å; L98-E100 PolarHBondContact O-N 3.15Å
99	P	35.5	Very low	47.1	Very low	58 Å²	58	95.7 Å²	95.7	38%	0.377	47%	0.465	S	S	.	.			trans	-73.1	115.7	177.6	28.9	-32	0	0	0	110.1	R101	P99-R101 PolarHBondContact O-N 3.35Å
100	E	35.5	Very low	47.4	Very low	180 Å²	180	94.9 Å²	94.9	84%	0.841	47%	0.467	S	S	*	.			trans	-54	130.8	150.2	-81.2	-172.2	124.3	0	0	107.3	L98 S102	L98-E100 PolarHBondContact O-N 3.15Å; E100-S102 PolarHBondContact O-N 3.3Å
101	R	43	Very low	48.4	Very low	175 Å²	175	94.2 Å²	94.2	66%	0.66	47%	0.466	S	S	*	.			trans	-57.2	111.7	172	-177.5	-163.7	-94.6	-165.7	-4.5	106.9	P99 V103 Y105 D106	P99-R101 PolarHBondContact O-N 3.35Å; R101-V103 PolarHBondContact O-N 2.96Å; R101-Y105 HydrophobicContact CG-CD1 4.33Å; R101-D106 VanDerWaalsContact CD-OD2 3.29Å; R101-D106 WeakPolarHBondContact CD-OD2 3.33Å; R101-D106 IonicContact CZ-OD1 3.46Å; R101-D106 IonicContact CZ-OD2 2.9Å; R101-D106 IonicContact NE-OD1 2.82Å; R101-D106 IonicContact NE-OD2 3.5Å; R101-D106 IonicContact NH1-OD1 2.63Å; R101-D106 PolarHBondContact NH1-OD1 3.16Å; R101-D106 IonicContact NH1-OD2 2.67Å; R101-D106 PolarHBondContact NH1-OD2 3.42Å
102	S	47.1	Very low	49.9	Very low	22 Å²	22	90.9 Å²	90.9	15%	0.154	45%	0.45	C	S	.	.			trans	-49	128.3	-173.1	-178.8	0	0	0	0	110.8	E92 E100 F104 Y105	E92-S102 WeakPolarHBondContact OE2-CB 3.19Å; E92-S102 PolarHBondContact OE2-OG 2.91Å; E100-S102 PolarHBondContact O-N 3.3Å; S102-F104 PolarHBondContact O-N 3.49Å; S102-Y105 WeakPolarHBondContact O-CB 3.09Å; S102-Y105 PolarHBondContact O-N 3.06Å
103	V	47.2	Very low	51.9	Low	125 Å²	125	88.9 Å²	88.9	76%	0.758	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14	-177	-177.3	0	0	0	0	111.9	R101	R101-V103 PolarHBondContact O-N 2.96Å
104	F	51.7	Low	54.3	Low	69 Å²	69	84.1 Å²	84.1	30%	0.303	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-8.1	176.8	-45.8	-48.3	0	0	0	114.4	S102 D107 F108 K250 L253	S102-F104 PolarHBondContact O-N 3.49Å; F104-D107 VanDerWaalsContact O-CB 3.29Å; F104-D107 WeakPolarHBondContact O-CB 3.15Å; F104-D107 PolarHBondContact O-N 2.58Å; F104-F108 HydrophobicContact CB-CD2 4.47Å; F104-F108 HydrophobicContact CB-CE2 4.08Å; F104-F108 WeakPolarHBondContact O-CD2 3.24Å; F104-F108 PolarHBondContact O-N 2.84Å; F104-K250 HydrophobicContact CB-CG 4.38Å; F104-K250 HydrophobicContact CD1-CD 3.57Å; F104-K250 HydrophobicContact CD1-CG 4.02Å; F104-K250 HydrophobicContact CD2-CB 4.06Å; F104-K250 HydrophobicContact CD2-CG 4.22Å; F104-K250 HydrophobicContact CE1-CD 3.73Å; F104-K250 HydrophobicContact CE1-CG 4.4Å; F104-K250 HydrophobicContact CE2-CB 4.11Å; F104-K250 HydrophobicContact CG-CB 4.28Å; F104-K250 HydrophobicContact CG-CD 4.02Å; F104-K250 HydrophobicContact CG-CG 3.92Å; F104-K250 HydrophobicContact CZ-CB 4.37Å; F104-K250 HydrophobicContact CZ-CD 4.29Å; F104-L253 HydrophobicContact CB-CD2 4.12Å
105	Y	55.3	Low	57.1	Low	27 Å²	27	78.2 Å²	78.2	11%	0.106	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-51	178.2	177.9	-93.7	0	0	0	111.7	F86 F90 R101 S102 D107 F108 Y109	F86-Y105 HydrophobicContact CB-CE2 3.94Å; F86-Y105 WeakPolarHBondContact CB-OH 3.44Å; F86-Y105 HydrophobicContact CD1-CD2 4.3Å; F86-Y105 AromaticContact CD1-CE2 3.61Å; F86-Y105 HydrophobicContact CD1-CE2 3.61Å; F86-Y105 HydrophobicContact CD2-CE2 4.26Å; F86-Y105 HydrophobicContact CE1-CD2 4.31Å; F86-Y105 HydrophobicContact CE1-CE2 4.05Å; F86-Y105 AromaticContact CG-CE2 3.7Å; F86-Y105 HydrophobicContact CG-CE2 3.7Å; F90-Y105 HydrophobicContact CB-CE2 4.33Å; F90-Y105 AromaticContact CD1-CD2 3.56Å; F90-Y105 HydrophobicContact CD1-CD2 3.56Å; F90-Y105 AromaticContact CD1-CE2 3.39Å; F90-Y105 HydrophobicContact CD1-CE2 3.39Å; F90-Y105 AromaticContact CE1-CD2 3.58Å; F90-Y105 HydrophobicContact CE1-CD2 3.58Å; F90-Y105 AromaticContact CE1-CE2 3.86Å; F90-Y105 HydrophobicContact CE1-CE2 3.86Å; F90-Y105 AromaticContact CG-CE2 3.97Å; F90-Y105 HydrophobicContact CG-CE2 3.97Å; R101-Y105 HydrophobicContact CG-CD1 4.33Å; S102-Y105 WeakPolarHBondContact O-CB 3.09Å; S102-Y105 PolarHBondContact O-N 3.06Å; Y105-D107 PolarHBondContact O-N 2.97Å; Y105-F108 PolarHBondContact O-N 3.1Å; Y105-Y109 HydrophobicContact CE1-CD2 4.01Å; Y105-Y109 AromaticContact CE1-CG 3.94Å; Y105-Y109 HydrophobicContact CE1-CG 3.94Å; Y105-Y109 HydrophobicContact CE2-CD2 4.49Å; Y105-Y109 AromaticContact CZ-CD2 3.66Å; Y105-Y109 WeakPolarHBondContact O-CB 3.41Å; Y105-Y109 PolarHBondContact O-N 2.91Å; Y105-Y109 WeakPolarHBondContact OH-CD2 3.34Å; Y105-Y109 WeakPolarHBondContact OH-CE2 3.46Å
106	D	57.2	Low	59.8	Low	74 Å²	74	73.2 Å²	73.2	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-26.3	-179.5	-71.9	-23.4	0	0	0	112.5	R101 F108 S110	R101-D106 VanDerWaalsContact CD-OD2 3.29Å; R101-D106 WeakPolarHBondContact CD-OD2 3.33Å; R101-D106 IonicContact CZ-OD1 3.46Å; R101-D106 IonicContact CZ-OD2 2.9Å; R101-D106 IonicContact NE-OD1 2.82Å; R101-D106 IonicContact NE-OD2 3.5Å; R101-D106 IonicContact NH1-OD1 2.63Å; R101-D106 PolarHBondContact NH1-OD1 3.16Å; R101-D106 IonicContact NH1-OD2 2.67Å; R101-D106 PolarHBondContact NH1-OD2 3.42Å; D106-F108 VanDerWaalsContact C-N 3.29Å; D106-F108 PolarHBondContact O-N 2.98Å; D106-S110 PolarHBondContact O-OG 3.35Å; D106-S110 VanDerWaalsContact O-OG 3.06Å
107	D	59.5	Low	62.7	Low	73 Å²	73	67.1 Å²	67.1	39%	0.39	33%	0.331	S	S	.	.	H	α-helix	trans	-67.4	-22	173.3	-112.7	14.5	0	0	0	113.4	F104 Y105 C130 K250	F104-D107 VanDerWaalsContact O-CB 3.29Å; F104-D107 WeakPolarHBondContact O-CB 3.15Å; F104-D107 PolarHBondContact O-N 2.58Å; Y105-D107 PolarHBondContact O-N 2.97Å; D107-C130 PolarHBondContact O-SG 3.36Å; D107-K250 WeakPolarHBondContact OD2-CE 3.44Å; D107-K250 IonicContact OD2-NZ 2.86Å; D107-K250 PolarHBondContact OD2-NZ 3.02Å
108	F	63.1	Low	65.5	Low	9 Å²	9	62.7 Å²	62.7	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-113.8	-43.9	-178.3	-64.6	-56.7	0	0	0	113.5	F104 Y105 D106 S110 C111 K250 L253 S254	F104-F108 HydrophobicContact CB-CD2 4.47Å; F104-F108 HydrophobicContact CB-CE2 4.08Å; F104-F108 WeakPolarHBondContact O-CD2 3.24Å; F104-F108 PolarHBondContact O-N 2.84Å; Y105-F108 PolarHBondContact O-N 3.1Å; D106-F108 VanDerWaalsContact C-N 3.29Å; D106-F108 PolarHBondContact O-N 2.98Å; F108-S110 PolarHBondContact O-N 3.33Å; F108-S110 VanDerWaalsContact O-N 3.17Å; F108-C111 PolarHBondContact O-N 3.26Å; F108-K250 HydrophobicContact CE2-CG 4.44Å; F108-K250 HydrophobicContact CZ-CG 4.3Å; F108-L253 HydrophobicContact CD2-CD2 3.89Å; F108-L253 HydrophobicContact CD2-CG 4.04Å; F108-L253 HydrophobicContact CE2-CB 4.42Å; F108-L253 HydrophobicContact CE2-CD2 3.96Å; F108-L253 HydrophobicContact CE2-CG 4.06Å; F108-S254 WeakPolarHBondContact CE1-OG 3.49Å; F108-S254 VanDerWaalsContact CZ-CB 3.49Å
109	Y	65.1	Low	68.2	Low	76 Å²	76	62.4 Å²	62.4	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-51.3	-40.9	-178.1	177.1	-96.3	0	0	0	112.8	T83 F86 Y105 C111	T83-Y109 HydrophobicContact CG2-CE1 4.12Å; T83-Y109 VanDerWaalsContact O-CE2 3.27Å; T83-Y109 WeakPolarHBondContact O-CE2 3.36Å; T83-Y109 PolarHBondContact O-OH 3.41Å; F86-Y109 HydrophobicContact CB-CD2 4.06Å; F86-Y109 HydrophobicContact CB-CE2 4.3Å; F86-Y109 AromaticContact CD2-CD2 3.76Å; F86-Y109 HydrophobicContact CD2-CD2 3.76Å; F86-Y109 HydrophobicContact CG-CD2 4.27Å; Y105-Y109 HydrophobicContact CE1-CD2 4.01Å; Y105-Y109 AromaticContact CE1-CG 3.94Å; Y105-Y109 HydrophobicContact CE1-CG 3.94Å; Y105-Y109 HydrophobicContact CE2-CD2 4.49Å; Y105-Y109 AromaticContact CZ-CD2 3.66Å; Y105-Y109 WeakPolarHBondContact O-CB 3.41Å; Y105-Y109 PolarHBondContact O-N 2.91Å; Y105-Y109 WeakPolarHBondContact OH-CD2 3.34Å; Y105-Y109 WeakPolarHBondContact OH-CE2 3.46Å; Y109-C111 VanDerWaalsContact C-N 3.27Å; Y109-C111 PolarHBondContact O-N 2.91Å
110	S	72.1	Confident	70.5	Confident	49 Å²	49	62 Å²	62	34%	0.343	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.4	-177.3	61.9	0	0	0	0	115.1	R81 D106 F108	R81-S110 PolarHBondContact NH1-O 2.89Å; D106-S110 PolarHBondContact O-OG 3.35Å; D106-S110 VanDerWaalsContact O-OG 3.06Å; F108-S110 PolarHBondContact O-N 3.33Å; F108-S110 VanDerWaalsContact O-N 3.17Å
111	C	83.9	Confident	72.7	Confident	14 Å²	14	56.1 Å²	56.1	10%	0.095	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	35.4	-165.7	-76.9	0	0	0	0	114.8	F108 Y109 Y113 A128 G129 C130	F108-C111 PolarHBondContact O-N 3.26Å; Y109-C111 VanDerWaalsContact C-N 3.27Å; Y109-C111 PolarHBondContact O-N 2.91Å; C111-Y113 VanDerWaalsContact CA-CE2 3.5Å; C111-Y113 HydrophobicContact CB-CE2 4.12Å; C111-Y113 WeakPolarHBondContact O-CD2 3.02Å; C111-Y113 WeakPolarHBondContact O-CE2 3.31Å; C111-A128 CarbonylContact O-C 3.52Å; C111-G129 VanDerWaalsContact CB-C 3.49Å; C111-G129 PolarHBondContact O-N 2.86Å; C111-C130 HydrophobicContact CB-CB 3.91Å; C111-C130 WeakPolarHBondContact CB-SG 3.28Å; C111-C130 WeakPolarHBondContact SG-CA 3.34Å; C111-C130 WeakPolarHBondContact SG-CB 3.39Å; C111-C130 CovalentContact SG-SG 2.04Å; C111-C130 PolarHBondContact SG-SG 3.15Å
112	L	86.3	Confident	74.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.9	170	-52.8	171.8	0	0	0	110.3	R81 R82 L85 F86 I127 A128 V257 H261	R81-L112 CarbonylContact C-O 3.56Å; R81-L112 WeakPolarHBondContact CA-O 3.3Å; R82-L112 HydrophobicContact CB-CB 3.91Å; R82-L112 PolarHBondContact N-O 3.2Å; L85-L112 HydrophobicContact CB-CD1 3.47Å; L85-L112 VanDerWaalsContact CB-CD1 3.47Å; L85-L112 HydrophobicContact CD2-CD1 3.52Å; L85-L112 HydrophobicContact CD2-CD2 4.11Å; L85-L112 HydrophobicContact CD2-CG 4.42Å; L85-L112 HydrophobicContact CG-CD1 4.1Å; F86-L112 HydrophobicContact CD2-CD1 4.2Å; F86-L112 HydrophobicContact CE2-CD1 4.05Å; L112-I127 CarbonylContact C-O 3.54Å; L112-A128 HydrophobicContact CD2-CB 3.54Å; L112-V257 HydrophobicContact CD2-CG1 3.94Å; L112-H261 HydrophobicContact CD2-CB 4.43Å
113	Y	90.3	Very high	76.5	Confident	19 Å²	19	51.6 Å²	51.6	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	142.1	-176.6	-51.1	-95.1	0	0	0	111.6	M56 I64 K80 R81 C111 A126 I127 H261	M56-Y113 HydrophobicContact CE-CD1 4.19Å; M56-Y113 HydrophobicContact CE-CD2 3.39Å; M56-Y113 HydrophobicContact CE-CE1 4.48Å; M56-Y113 HydrophobicContact CE-CE2 3.72Å; M56-Y113 HydrophobicContact CE-CG 3.65Å; I64-Y113 HydrophobicContact CD1-CD1 3.61Å; I64-Y113 HydrophobicContact CD1-CE1 3.42Å; I64-Y113 VanDerWaalsContact CD1-CE1 3.42Å; I64-Y113 HydrophobicContact CD1-CG 4.39Å; I64-Y113 HydrophobicContact CG1-CD1 4.04Å; I64-Y113 HydrophobicContact CG1-CE1 4.12Å; K80-Y113 VanDerWaalsContact O-CA 3.29Å; K80-Y113 WeakPolarHBondContact O-CA 3.02Å; R81-Y113 HydrophobicContact CB-CD1 4.03Å; R81-Y113 HydrophobicContact CB-CE1 4Å; R81-Y113 HydrophobicContact CG-CD1 4.39Å; R81-Y113 HydrophobicContact CG-CE1 4.06Å; R81-Y113 PolarHBondContact NH1-OH 3.49Å; C111-Y113 VanDerWaalsContact CA-CE2 3.5Å; C111-Y113 HydrophobicContact CB-CE2 4.12Å; C111-Y113 WeakPolarHBondContact O-CD2 3.02Å; C111-Y113 WeakPolarHBondContact O-CE2 3.31Å; Y113-A126 WeakPolarHBondContact O-CA 3.26Å; Y113-I127 PolarHBondContact N-O 3.27Å; Y113-I127 PolarHBondContact O-N 2.91Å; Y113-H261 PolarHBondContact O-NE2 2.82Å
114	D	91.2	Very high	78.5	Confident	13 Å²	13	47.8 Å²	47.8	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.9	165.1	62.5	81.7	0	0	0	112.1	L79 K80 R82 I125 A126	L79-D114 CarbonylContact C-O 3.57Å; L79-D114 WeakPolarHBondContact CA-O 3.41Å; K80-D114 PolarHBondContact N-O 2.85Å; K80-D114 PolarHBondContact O-N 2.78Å; R82-D114 WeakPolarHBondContact CD-OD2 3.32Å; R82-D114 WeakPolarHBondContact CG-OD2 3.25Å; R82-D114 IonicContact CZ-OD1 3.77Å; R82-D114 IonicContact CZ-OD2 3.87Å; R82-D114 IonicContact NE-OD1 3.09Å; R82-D114 IonicContact NE-OD2 2.69Å; R82-D114 PolarHBondContact NE-OD2 3.34Å; R82-D114 IonicContact NH2-OD1 2.83Å; R82-D114 PolarHBondContact NH2-OD1 2.93Å; R82-D114 IonicContact NH2-OD2 3.53Å; R82-D114 PolarHBondContact NH2-OD2 3.36Å; D114-I125 CarbonylContact C-O 3.6Å; D114-I125 VanDerWaalsContact CA-O 3.27Å; D114-I125 WeakPolarHBondContact CA-O 3.48Å; D114-A126 HydrophobicContact CB-CB 4.32Å
115	G	91.8	Very high	80.5	Confident	6 Å²	6	44.8 Å²	44.8	6%	0.062	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-159.4	-174.8	0	0	0	0	0	114.4	L78 R124 I125	L78-G115 VanDerWaalsContact O-CA 3.27Å; L78-G115 WeakPolarHBondContact O-CA 3.16Å; G115-R124 WeakPolarHBondContact O-CA 3.46Å; G115-I125 PolarHBondContact N-O 3.24Å; G115-I125 PolarHBondContact O-N 3.26Å
116	Y	90.2	Very high	82.2	Confident	82 Å²	82	43.6 Å²	43.6	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.9	-173.8	62	-84.4	0	0	0	111.7	F77 L78 A121 V123	F77-Y116 VanDerWaalsContact CA-O 3.26Å; F77-Y116 WeakPolarHBondContact CA-O 3.27Å; L78-Y116 PolarHBondContact N-O 2.83Å; L78-Y116 PolarHBondContact O-N 3.03Å; Y116-A121 HydrophobicContact CD2-CB 4.18Å; Y116-V123 CarbonylContact C-O 3.23Å; Y116-V123 WeakPolarHBondContact CA-O 3.23Å
117	A	91.1	Very high	83.8	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.7	178.3	0	0	0	0	0	110.9	Y75 H76 F77 H119 D120 V123	Y75-A117 HydrophobicContact CD1-CB 4.39Å; H76-A117 CarbonylContact O-C 3.27Å; H76-A117 VanDerWaalsContact O-CA 3.25Å; H76-A117 WeakPolarHBondContact O-CA 3.42Å; F77-A117 HydrophobicContact CD1-CB 4.03Å; F77-A117 HydrophobicContact CE1-CB 4Å; A117-H119 PolarHBondContact O-N 3.03Å; A117-D120 CarbonylContact O-C 3.51Å; A117-D120 VanDerWaalsContact O-C 3.23Å; A117-D120 PolarHBondContact O-N 3.11Å; A117-D120 VanDerWaalsContact O-N 3.14Å; A117-D120 VanDerWaalsContact O-O 3.07Å; A117-V123 HydrophobicContact CB-CB 3.9Å; A117-V123 HydrophobicContact CB-CG1 4Å; A117-V123 PolarHBondContact N-O 2.91Å
118	L	89.8	Confident	85.1	Confident	91 Å²	91	36.8 Å²	36.8	48%	0.476	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.8	-179.2	-68	177.2	0	0	0	113.3	H76 L78	H76-L118 HydrophobicContact CB-CD1 4.02Å; H76-L118 PolarHBondContact O-N 2.74Å; L78-L118 HydrophobicContact CB-CD2 3.86Å
119	H	85.9	Confident	85.9	Confident	146 Å²	146	36.4 Å²	36.4	68%	0.676	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.9	178.9	-53.3	-60.1	0	0	0	113.5	H76 A117	H76-H119 AromaticContact CD2-NE2 3.6Å; A117-H119 PolarHBondContact O-N 3.03Å
120	D	83.6	Confident	86.6	Confident	51 Å²	51	33.6 Å²	33.6	27%	0.273	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	111	178.8	-172.5	-12.6	0	0	0	110.6	A117 N122 V123 A141	A117-D120 CarbonylContact O-C 3.51Å; A117-D120 VanDerWaalsContact O-C 3.23Å; A117-D120 PolarHBondContact O-N 3.11Å; A117-D120 VanDerWaalsContact O-N 3.14Å; A117-D120 VanDerWaalsContact O-O 3.07Å; D120-N122 PolarHBondContact O-N 3.4Å; D120-N122 VanDerWaalsContact OD1-CB 3.27Å; D120-N122 WeakPolarHBondContact OD1-CB 3.2Å; D120-N122 PolarHBondContact OD1-N 2.7Å; D120-N122 PolarHBondContact OD1-ND2 3.49Å; D120-V123 HydrophobicContact CB-CB 4.37Å; D120-V123 HydrophobicContact CB-CG2 3.99Å; D120-V123 PolarHBondContact O-N 3.42Å; D120-V123 VanDerWaalsContact O-N 3.11Å; D120-A141 WeakPolarHBondContact OD2-CB 3.37Å
121	A	82.2	Confident	86.8	Confident	55 Å²	55	37.4 Å²	37.4	46%	0.455	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-12.4	-179	0	0	0	0	0	114.3	Y116	Y116-A121 HydrophobicContact CD2-CB 4.18Å
122	N	82.2	Confident	86.2	Confident	98 Å²	98	37.4 Å²	37.4	52%	0.524	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-23.1	173.6	-50.5	-73.5	0	0	0	112	D120 R124 A141	D120-N122 PolarHBondContact O-N 3.4Å; D120-N122 VanDerWaalsContact OD1-CB 3.27Å; D120-N122 WeakPolarHBondContact OD1-CB 3.2Å; D120-N122 PolarHBondContact OD1-N 2.7Å; D120-N122 PolarHBondContact OD1-ND2 3.49Å; N122-R124 PolarHBondContact O-N 2.94Å; N122-A141 HydrophobicContact CB-CB 3.91Å
123	V	87.9	Confident	85.6	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.7	167.7	-180	0	0	0	0	107.8	Y75 F77 Y116 A117 D120 L138 A139 M140 A141	Y75-V123 HydrophobicContact CD1-CG1 3.91Å; Y75-V123 HydrophobicContact CE1-CG1 4.15Å; Y75-V123 HydrophobicContact CE1-CG2 4.3Å; F77-V123 HydrophobicContact CE1-CG1 4.05Å; F77-V123 HydrophobicContact CZ-CG1 4.36Å; Y116-V123 CarbonylContact C-O 3.23Å; Y116-V123 WeakPolarHBondContact CA-O 3.23Å; A117-V123 HydrophobicContact CB-CB 3.9Å; A117-V123 HydrophobicContact CB-CG1 4Å; A117-V123 PolarHBondContact N-O 2.91Å; D120-V123 HydrophobicContact CB-CB 4.37Å; D120-V123 HydrophobicContact CB-CG2 3.99Å; D120-V123 PolarHBondContact O-N 3.42Å; D120-V123 VanDerWaalsContact O-N 3.11Å; V123-L138 HydrophobicContact CG1-CD1 4.2Å; V123-A139 CarbonylContact C-O 3.43Å; V123-A139 VanDerWaalsContact CA-O 3.24Å; V123-A139 WeakPolarHBondContact CA-O 3.39Å; V123-A139 WeakPolarHBondContact CG1-O 3.19Å; V123-M140 HydrophobicContact CG1-SD 4.37Å; V123-A141 HydrophobicContact CG2-CB 4.06Å
124	R	89.2	Confident	85.4	Confident	45 Å²	45	38.7 Å²	38.7	17%	0.17	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.6	-172.3	-51.9	178	64.6	74.1	4.7	110.7	G115 N122 A139	G115-R124 WeakPolarHBondContact O-CA 3.46Å; N122-R124 PolarHBondContact O-N 2.94Å; R124-A139 HydrophobicContact CB-CB 3.84Å; R124-A139 PolarHBondContact N-O 2.81Å; R124-A139 WeakPolarHBondContact O-CB 3.38Å; R124-A139 PolarHBondContact O-N 2.91Å
125	I	93	Very high	85.2	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.2	-179.6	-162.4	177	0	0	0	111	L54 F77 L79 D114 G115 I127 L137 L138 I148	L54-I125 HydrophobicContact CD1-CD1 4.1Å; F77-I125 HydrophobicContact CB-CG2 4.27Å; F77-I125 HydrophobicContact CD1-CB 3.95Å; F77-I125 HydrophobicContact CD1-CG2 3.39Å; F77-I125 HydrophobicContact CE1-CB 3.79Å; F77-I125 HydrophobicContact CE1-CD1 4.33Å; F77-I125 HydrophobicContact CE1-CG2 3.79Å; F77-I125 HydrophobicContact CE2-CD1 4.28Å; F77-I125 HydrophobicContact CG-CG2 3.88Å; F77-I125 HydrophobicContact CZ-CB 4.42Å; F77-I125 HydrophobicContact CZ-CD1 4.15Å; L79-I125 HydrophobicContact CD2-CG2 3.29Å; D114-I125 CarbonylContact C-O 3.6Å; D114-I125 VanDerWaalsContact CA-O 3.27Å; D114-I125 WeakPolarHBondContact CA-O 3.48Å; G115-I125 PolarHBondContact N-O 3.24Å; G115-I125 PolarHBondContact O-N 3.26Å; I125-I127 HydrophobicContact CD1-CD1 4.01Å; I125-I127 HydrophobicContact CD1-CG1 4.25Å; I125-I127 HydrophobicContact CG1-CD1 4.03Å; I125-I127 HydrophobicContact CG1-CG1 4.16Å; I125-L137 CarbonylContact C-O 3.58Å; I125-L137 VanDerWaalsContact CA-O 3.3Å; I125-L137 WeakPolarHBondContact CA-O 3.45Å; I125-L137 WeakPolarHBondContact CG1-O 3.46Å; I125-L138 HydrophobicContact CB-CD1 4.28Å; I125-L138 HydrophobicContact CD1-CD1 4.34Å; I125-L138 HydrophobicContact CG1-CD1 4.27Å; I125-I148 HydrophobicContact CD1-CD1 3.72Å; I125-I148 HydrophobicContact CG1-CD1 3.87Å
126	A	90.7	Very high	85	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.3	173.1	0	0	0	0	0	109.2	Y113 D114 G136 L137 A265	Y113-A126 WeakPolarHBondContact O-CA 3.26Å; D114-A126 HydrophobicContact CB-CB 4.32Å; A126-G136 CarbonylContact O-C 3.56Å; A126-G136 WeakPolarHBondContact O-CA 3.24Å; A126-L137 HydrophobicContact CB-CB 4.47Å; A126-L137 PolarHBondContact N-O 3.15Å; A126-L137 PolarHBondContact O-N 3.03Å; A126-A265 HydrophobicContact CB-CB 3.5Å
127	I	91.5	Very high	84.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.6	-173.1	-58.7	-65.3	0	0	0	109.8	L54 M56 L112 Y113 I125 K134 I148 H261	L54-I127 HydrophobicContact CD2-CD1 3.36Å; L54-I127 HydrophobicContact CD2-CG1 3.94Å; L54-I127 HydrophobicContact CD2-CG2 4.42Å; M56-I127 HydrophobicContact CE-CB 4.45Å; M56-I127 HydrophobicContact CE-CG2 4.14Å; M56-I127 HydrophobicContact SD-CG2 3.93Å; L112-I127 CarbonylContact C-O 3.54Å; Y113-I127 PolarHBondContact N-O 3.27Å; Y113-I127 PolarHBondContact O-N 2.91Å; I125-I127 HydrophobicContact CD1-CD1 4.01Å; I125-I127 HydrophobicContact CD1-CG1 4.25Å; I125-I127 HydrophobicContact CG1-CD1 4.03Å; I125-I127 HydrophobicContact CG1-CG1 4.16Å; I127-K134 HydrophobicContact CG2-CB 4.05Å; I127-K134 HydrophobicContact CG2-CD 4.09Å; I127-K134 HydrophobicContact CG2-CG 4.45Å; I127-I148 HydrophobicContact CD1-CD1 3.55Å; I127-I148 HydrophobicContact CD1-CG2 4.27Å; I127-H261 PolarHBondContact O-NE2 2.65Å
128	A	85.4	Confident	84.8	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.8	167.4	0	0	0	0	0	110.9	C111 L112 K134 R135 A258 H261	C111-A128 CarbonylContact O-C 3.52Å; L112-A128 HydrophobicContact CD2-CB 3.54Å; A128-K134 VanDerWaalsContact O-CA 3.3Å; A128-K134 WeakPolarHBondContact O-CA 3.3Å; A128-R135 PolarHBondContact N-O 3.36Å; A128-R135 PolarHBondContact O-N 2.67Å; A128-A258 HydrophobicContact CB-CB 3.77Å; A128-H261 HydrophobicContact CB-CB 4.16Å
129	G	81.6	Confident	84.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	101.2	142.8	173.1	0	0	0	0	0	114.9	C111 K134	C111-G129 VanDerWaalsContact CB-C 3.49Å; C111-G129 PolarHBondContact O-N 2.86Å; G129-K134 PolarHBondContact O-NZ 3Å
130	C	78.9	Confident	84.5	Confident	17 Å²	17	24.5 Å²	24.5	12%	0.115	14%	0.136	C	C	.	.	S	Bend	trans	-76.4	160.9	179.5	-65.5	0	0	0	0	113	D107 C111 S132 S133	D107-C130 PolarHBondContact O-SG 3.36Å; C111-C130 HydrophobicContact CB-CB 3.91Å; C111-C130 WeakPolarHBondContact CB-SG 3.28Å; C111-C130 WeakPolarHBondContact SG-CA 3.34Å; C111-C130 WeakPolarHBondContact SG-CB 3.39Å; C111-C130 CovalentContact SG-SG 2.04Å; C111-C130 PolarHBondContact SG-SG 3.15Å; C130-S132 PolarHBondContact O-N 2.98Å; C130-S133 PolarHBondContact O-N 2.91Å; C130-S133 PolarHBondContact O-OG 3.22Å
131	H	76.1	Confident	84.2	Confident	128 Å²	128	24.8 Å²	24.8	59%	0.593	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	-84.4	171.6	-59.2	-69.7	0	0	0	117.1	K134	H131-K134 WeakPolarHBondContact O-CE 3.48Å
132	S	70.5	Confident	83.8	Confident	14 Å²	14	28.1 Å²	28.1	10%	0.098	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.1	17.3	-163.3	45.3	0	0	0	0	112.3	C130 R156	C130-S132 PolarHBondContact O-N 2.98Å; S132-R156 PolarHBondContact O-NH1 3.38Å; S132-R156 VanDerWaalsContact OG-CZ 3.24Å; S132-R156 PolarHBondContact OG-NH1 3.23Å; S132-R156 PolarHBondContact OG-NH2 2.76Å
133	S	75.1	Confident	83.1	Confident	37 Å²	37	24.2 Å²	24.2	26%	0.259	14%	0.139	S	C	.	.			trans	-104.4	29.3	161.4	51.1	0	0	0	0	110	C130	C130-S133 PolarHBondContact O-N 2.91Å; C130-S133 PolarHBondContact O-OG 3.22Å
134	K	85.6	Confident	82.4	Confident	10 Å²	10	24.9 Å²	24.9	4%	0.043	14%	0.143	C	C	.	.			trans	-75	133.2	-171.5	-45.3	-174	154.8	-71.7	0	110.4	L54 M56 I127 A128 G129 H131 E149 P150 H170	L54-K134 HydrophobicContact CD2-CD 4.08Å; M56-K134 HydrophobicContact SD-CD 3.67Å; M56-K134 WeakPolarHBondContact SD-CE 3.27Å; M56-K134 PolarHBondContact SD-NZ 2.95Å; I127-K134 HydrophobicContact CG2-CB 4.05Å; I127-K134 HydrophobicContact CG2-CD 4.09Å; I127-K134 HydrophobicContact CG2-CG 4.45Å; A128-K134 VanDerWaalsContact O-CA 3.3Å; A128-K134 WeakPolarHBondContact O-CA 3.3Å; G129-K134 PolarHBondContact O-NZ 3Å; H131-K134 WeakPolarHBondContact O-CE 3.48Å; K134-E149 CarbonylContact O-C 3.59Å; K134-P150 VanDerWaalsContact O-CD 3.25Å; K134-P150 WeakPolarHBondContact O-CD 3.49Å; K134-H170 WeakPolarHBondContact CB-NE2 3.25Å; K134-H170 WeakPolarHBondContact CG-NE2 3.32Å; K134-H170 PolarHBondContact N-NE2 3.12Å; K134-H170 PolarHBondContact O-CD2 3.43Å; K134-H170 VanDerWaalsContact O-CD2 3.24Å
135	R	86.1	Confident	81.8	Confident	8 Å²	8	23.3 Å²	23.3	3%	0.03	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.9	-179.7	-68.6	160.6	-179.7	-71.1	8.8	106.4	A128 I148 P150 E251 S254 A258 F371	A128-R135 PolarHBondContact N-O 3.36Å; A128-R135 PolarHBondContact O-N 2.67Å; R135-I148 CarbonylContact C-O 3.22Å; R135-I148 WeakPolarHBondContact CA-O 3.37Å; R135-P150 HydrophobicContact CG-CG 3.73Å; R135-E251 IonicContact CZ-OE2 3.07Å; R135-E251 IonicContact NH2-OE2 2.65Å; R135-E251 PolarHBondContact NH2-OE2 3.1Å; R135-S254 WeakPolarHBondContact CD-O 3.08Å; R135-S254 VanDerWaalsContact CD-OG 3.29Å; R135-S254 WeakPolarHBondContact CD-OG 3.22Å; R135-S254 PolarHBondContact NE-OG 2.77Å; R135-A258 HydrophobicContact CB-CB 3.23Å; R135-A258 HydrophobicContact CG-CB 4.24Å; R135-F371 HydrophobicContact CB-CE1 4.05Å; R135-F371 HydrophobicContact CB-CZ 3.78Å; R135-F371 HydrophobicContact CG-CE1 4.44Å; R135-F371 HydrophobicContact CG-CE2 4.38Å; R135-F371 HydrophobicContact CG-CZ 3.69Å
136	G	88.7	Confident	81.4	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-171.6	-165.7	0	0	0	0	0	115.3	A126 I148 N262	A126-G136 CarbonylContact O-C 3.56Å; A126-G136 WeakPolarHBondContact O-CA 3.24Å; G136-I148 PolarHBondContact N-O 3.22Å; G136-I148 PolarHBondContact O-N 2.83Å; G136-N262 WeakPolarHBondContact CA-OD1 3.42Å; G136-N262 PolarHBondContact O-ND2 3.37Å
137	L	87.6	Confident	81	Confident	5 Å²	5	23.8 Å²	23.8	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.8	-169.7	-166.6	68.3	0	0	0	109.3	I125 A126 F145 L147 N262 L266 V374 F375	I125-L137 CarbonylContact C-O 3.58Å; I125-L137 VanDerWaalsContact CA-O 3.3Å; I125-L137 WeakPolarHBondContact CA-O 3.45Å; I125-L137 WeakPolarHBondContact CG1-O 3.46Å; A126-L137 HydrophobicContact CB-CB 4.47Å; A126-L137 PolarHBondContact N-O 3.15Å; A126-L137 PolarHBondContact O-N 3.03Å; L137-F145 HydrophobicContact CD1-CB 4.5Å; L137-F145 HydrophobicContact CD1-CD1 3.85Å; L137-F145 HydrophobicContact CD2-CD1 3.57Å; L137-F145 HydrophobicContact CD2-CE1 3.62Å; L137-F145 HydrophobicContact CG-CD1 3.57Å; L137-F145 HydrophobicContact CG-CE1 4.03Å; L137-L147 HydrophobicContact CD1-CD2 3.7Å; L137-N262 HydrophobicContact CB-CB 4.16Å; L137-N262 HydrophobicContact CD2-CB 4.13Å; L137-L266 HydrophobicContact CD2-CD2 4.24Å; L137-L266 HydrophobicContact CD2-CG 4.34Å; L137-V374 HydrophobicContact CD2-CG1 4.23Å; L137-F375 HydrophobicContact CD1-CE2 4.41Å; L137-F375 HydrophobicContact CD1-CZ 3.93Å
138	L	89.3	Confident	80.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.6	170.2	177.7	69.8	0	0	0	108.8	M68 F77 V123 I125 M140 F145 L146 I148 L172	M68-L138 HydrophobicContact CE-CD1 4.1Å; M68-L138 HydrophobicContact CE-CD2 3.44Å; M68-L138 VanDerWaalsContact CE-CD2 3.44Å; M68-L138 HydrophobicContact CE-CG 4.41Å; M68-L138 HydrophobicContact SD-CD2 4.13Å; F77-L138 HydrophobicContact CE1-CD1 3.91Å; F77-L138 HydrophobicContact CZ-CD1 3.63Å; V123-L138 HydrophobicContact CG1-CD1 4.2Å; I125-L138 HydrophobicContact CB-CD1 4.28Å; I125-L138 HydrophobicContact CD1-CD1 4.34Å; I125-L138 HydrophobicContact CG1-CD1 4.27Å; L138-M140 HydrophobicContact CD1-SD 4.39Å; L138-M140 HydrophobicContact CD2-SD 3.63Å; L138-M140 HydrophobicContact CG-SD 3.82Å; L138-F145 CarbonylContact O-C 3.54Å; L138-F145 VanDerWaalsContact O-CA 3.23Å; L138-F145 WeakPolarHBondContact O-CA 3.2Å; L138-L146 HydrophobicContact CB-CB 4.38Å; L138-L146 HydrophobicContact CD2-CD1 4.27Å; L138-L146 PolarHBondContact N-O 3.44Å; L138-L146 PolarHBondContact O-N 2.95Å; L138-I148 HydrophobicContact CB-CD1 4.22Å; L138-L172 HydrophobicContact CB-CD1 4.44Å; L138-L172 HydrophobicContact CD2-CD1 4.47Å; L138-L172 HydrophobicContact CD2-CD2 4.09Å
139	A	84.3	Confident	80.6	Confident	4 Å²	4	24.6 Å²	24.6	3%	0.033	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.7	169.7	0	0	0	0	0	109.8	V123 R124 F145	V123-A139 CarbonylContact C-O 3.43Å; V123-A139 VanDerWaalsContact CA-O 3.24Å; V123-A139 WeakPolarHBondContact CA-O 3.39Å; V123-A139 WeakPolarHBondContact CG1-O 3.19Å; R124-A139 HydrophobicContact CB-CB 3.84Å; R124-A139 PolarHBondContact N-O 2.81Å; R124-A139 WeakPolarHBondContact O-CB 3.38Å; R124-A139 PolarHBondContact O-N 2.91Å; A139-F145 VanDerWaalsContact CA-CE2 3.49Å; A139-F145 HydrophobicContact CB-CD1 4.23Å; A139-F145 HydrophobicContact CB-CD2 3.8Å; A139-F145 HydrophobicContact CB-CE1 3.69Å; A139-F145 HydrophobicContact CB-CE2 3.2Å; A139-F145 HydrophobicContact CB-CG 4.3Å; A139-F145 HydrophobicContact CB-CZ 3.16Å
140	M	84.1	Confident	80.5	Confident	24 Å²	24	25.4 Å²	25.4	12%	0.118	15%	0.148	C	C	.	.			trans	-105.5	155.2	174.8	-55.4	-64.4	-74.6	0	0	110.5	Y75 V123 L138 D142 G143 S144 L146	Y75-M140 WeakPolarHBondContact OH-CE 3.16Å; V123-M140 HydrophobicContact CG1-SD 4.37Å; L138-M140 HydrophobicContact CD1-SD 4.39Å; L138-M140 HydrophobicContact CD2-SD 3.63Å; L138-M140 HydrophobicContact CG-SD 3.82Å; M140-D142 WeakPolarHBondContact CB-OD1 3.27Å; M140-D142 PolarHBondContact O-N 3.05Å; M140-G143 WeakPolarHBondContact O-CA 3.43Å; M140-G143 PolarHBondContact O-N 2.77Å; M140-S144 WeakPolarHBondContact CB-O 2.96Å; M140-S144 WeakPolarHBondContact CB-OG 3.32Å; M140-S144 WeakPolarHBondContact CG-O 3.4Å; M140-S144 PolarHBondContact N-O 2.84Å; M140-L146 HydrophobicContact CG-CD1 4.41Å
141	A	77.5	Confident	80.2	Confident	57 Å²	57	25 Å²	25	47%	0.471	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.1	-175.8	0	0	0	0	0	114.7	D120 N122 V123 G143	D120-A141 WeakPolarHBondContact OD2-CB 3.37Å; N122-A141 HydrophobicContact CB-CB 3.91Å; V123-A141 HydrophobicContact CG2-CB 4.06Å; A141-G143 PolarHBondContact O-N 3Å
142	D	74.9	Confident	79.7	Confident	125 Å²	125	20.1 Å²	20.1	67%	0.668	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	4	169.1	67.7	-12.2	0	0	0	112.9	M140 S144	M140-D142 WeakPolarHBondContact CB-OD1 3.27Å; M140-D142 PolarHBondContact O-N 3.05Å; D142-S144 PolarHBondContact O-N 2.8Å; D142-S144 VanDerWaalsContact OD1-CB 3.23Å; D142-S144 WeakPolarHBondContact OD1-CB 3.16Å; D142-S144 PolarHBondContact OD1-N 2.68Å; D142-S144 PolarHBondContact OD1-OG 2.63Å; D142-S144 PolarHBondContact OD2-OG 3.49Å
143	G	68.3	Low	79.4	Confident	16 Å²	16	22.1 Å²	22.1	17%	0.165	14%	0.138	C	C	.	.	S	Bend	trans	81.8	-9.1	-174.4	0	0	0	0	0	114	M140 A141 F145 G409 T411	M140-G143 WeakPolarHBondContact O-CA 3.43Å; M140-G143 PolarHBondContact O-N 2.77Å; A141-G143 PolarHBondContact O-N 3Å; G143-F145 WeakPolarHBondContact O-CD2 3.29Å; G143-G409 CarbonylContact O-C 3.47Å; G143-G409 VanDerWaalsContact O-CA 3.24Å; G143-G409 WeakPolarHBondContact O-CA 3.46Å; G143-T411 WeakPolarHBondContact O-CG2 3.03Å; G143-T411 PolarHBondContact O-OG1 2.79Å
144	S	72.8	Confident	78.7	Confident	19 Å²	19	23.6 Å²	23.6	13%	0.133	14%	0.142	C	C	.	.			trans	-66.8	137.6	177.4	72.7	0	0	0	0	110.4	M140 D142	M140-S144 WeakPolarHBondContact CB-O 2.96Å; M140-S144 WeakPolarHBondContact CB-OG 3.32Å; M140-S144 WeakPolarHBondContact CG-O 3.4Å; M140-S144 PolarHBondContact N-O 2.84Å; D142-S144 PolarHBondContact O-N 2.8Å; D142-S144 VanDerWaalsContact OD1-CB 3.23Å; D142-S144 WeakPolarHBondContact OD1-CB 3.16Å; D142-S144 PolarHBondContact OD1-N 2.68Å; D142-S144 PolarHBondContact OD1-OG 2.63Å; D142-S144 PolarHBondContact OD2-OG 3.49Å
145	F	76.9	Confident	77.8	Confident	12 Å²	12	23.1 Å²	23.1	5%	0.053	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.2	179	-86.7	-138.1	0	0	0	110.4	L137 L138 A139 G143 L266 F375 T411	L137-F145 HydrophobicContact CD1-CB 4.5Å; L137-F145 HydrophobicContact CD1-CD1 3.85Å; L137-F145 HydrophobicContact CD2-CD1 3.57Å; L137-F145 HydrophobicContact CD2-CE1 3.62Å; L137-F145 HydrophobicContact CG-CD1 3.57Å; L137-F145 HydrophobicContact CG-CE1 4.03Å; L138-F145 CarbonylContact O-C 3.54Å; L138-F145 VanDerWaalsContact O-CA 3.23Å; L138-F145 WeakPolarHBondContact O-CA 3.2Å; A139-F145 VanDerWaalsContact CA-CE2 3.49Å; A139-F145 HydrophobicContact CB-CD1 4.23Å; A139-F145 HydrophobicContact CB-CD2 3.8Å; A139-F145 HydrophobicContact CB-CE1 3.69Å; A139-F145 HydrophobicContact CB-CE2 3.2Å; A139-F145 HydrophobicContact CB-CG 4.3Å; A139-F145 HydrophobicContact CB-CZ 3.16Å; G143-F145 WeakPolarHBondContact O-CD2 3.29Å; F145-L266 HydrophobicContact CD1-CD2 4.38Å; F145-L266 HydrophobicContact CE1-CD2 3.49Å; F145-L266 VanDerWaalsContact CE1-CD2 3.49Å; F145-L266 HydrophobicContact CZ-CD2 3.98Å; F145-F375 HydrophobicContact CB-CE1 4.21Å; F145-F375 HydrophobicContact CB-CZ 3.63Å; F145-F375 AromaticContact CD1-CE1 3.84Å; F145-F375 HydrophobicContact CD1-CE1 3.84Å; F145-F375 AromaticContact CD1-CZ 3.82Å; F145-F375 HydrophobicContact CD1-CZ 3.82Å; F145-F375 HydrophobicContact CE1-CE1 4.48Å; F145-F375 HydrophobicContact CG-CE1 4.22Å; F145-F375 HydrophobicContact CG-CZ 4.08Å; F145-T411 HydrophobicContact CB-CG2 3.89Å; F145-T411 HydrophobicContact CD1-CG2 4.11Å; F145-T411 HydrophobicContact CD2-CG2 3.39Å; F145-T411 VanDerWaalsContact CD2-OG1 3.28Å; F145-T411 WeakPolarHBondContact CD2-OG1 3.45Å; F145-T411 HydrophobicContact CE1-CG2 4.5Å; F145-T411 HydrophobicContact CE2-CG2 3.83Å; F145-T411 WeakPolarHBondContact CE2-OG1 2.73Å; F145-T411 HydrophobicContact CG-CG2 3.55Å; F145-T411 HydrophobicContact CZ-CG2 4.34Å
146	L	84.1	Confident	76.6	Confident	10 Å²	10	25.5 Å²	25.5	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.1	-173.2	-53.3	178.4	0	0	0	109.2	H70 L138 M140 L172 R173 K174	H70-L146 VanDerWaalsContact NE2-CD1 3.34Å; H70-L146 WeakPolarHBondContact NE2-CD1 3.45Å; L138-L146 HydrophobicContact CB-CB 4.38Å; L138-L146 HydrophobicContact CD2-CD1 4.27Å; L138-L146 PolarHBondContact N-O 3.44Å; L138-L146 PolarHBondContact O-N 2.95Å; M140-L146 HydrophobicContact CG-CD1 4.41Å; L146-L172 HydrophobicContact CB-CD1 3.38Å; L146-L172 HydrophobicContact CB-CD2 4.19Å; L146-L172 HydrophobicContact CB-CG 3.72Å; L146-L172 HydrophobicContact CD1-CD2 3.79Å; L146-L172 HydrophobicContact CD1-CG 4.13Å; L146-R173 CarbonylContact C-O 3.47Å; L146-R173 WeakPolarHBondContact CA-O 3.5Å; L146-K174 HydrophobicContact CD2-CB 4.02Å; L146-K174 HydrophobicContact CD2-CG 3.75Å
147	L	81.7	Confident	75.3	Confident	8 Å²	8	32 Å²	32	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.3	-172.8	-57.6	172.3	0	0	0	109.4	L137 L172 R173 F371 F375	L137-L147 HydrophobicContact CD1-CD2 3.7Å; L147-L172 WeakPolarHBondContact O-CA 3.42Å; L147-R173 HydrophobicContact CB-CB 4.33Å; L147-R173 PolarHBondContact N-O 3.43Å; L147-R173 PolarHBondContact O-N 3.19Å; L147-F371 HydrophobicContact CB-CB 4.47Å; L147-F371 HydrophobicContact CD1-CB 4.01Å; L147-F371 HydrophobicContact CD2-CB 3.93Å; L147-F371 HydrophobicContact CG-CB 4.35Å; L147-F375 HydrophobicContact CD2-CE2 4.2Å
148	I	88.2	Confident	73.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.9	176.6	-61.1	171.2	0	0	0	107.9	I52 I125 I127 R135 G136 L138 H170 T171 L172	I52-I148 HydrophobicContact CD1-CD1 4.37Å; I52-I148 HydrophobicContact CD1-CG1 3.97Å; I52-I148 HydrophobicContact CD1-CG2 4.22Å; I125-I148 HydrophobicContact CD1-CD1 3.72Å; I125-I148 HydrophobicContact CG1-CD1 3.87Å; I127-I148 HydrophobicContact CD1-CD1 3.55Å; I127-I148 HydrophobicContact CD1-CG2 4.27Å; R135-I148 CarbonylContact C-O 3.22Å; R135-I148 WeakPolarHBondContact CA-O 3.37Å; G136-I148 PolarHBondContact N-O 3.22Å; G136-I148 PolarHBondContact O-N 2.83Å; L138-I148 HydrophobicContact CB-CD1 4.22Å; I148-H170 HydrophobicContact CG2-CB 3.95Å; I148-T171 WeakPolarHBondContact CA-O 3.44Å; I148-L172 HydrophobicContact CG1-CD1 3.71Å
149	E	81.1	Confident	72.4	Confident	21 Å²	21	33.7 Å²	33.7	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.5	-176.2	-77.8	-179.5	141.9	0	0	111.8	K134 I151 H170 T171 R173 F371	K134-E149 CarbonylContact O-C 3.59Å; E149-I151 PolarHBondContact O-N 3.22Å; E149-H170 CarbonylContact O-C 3.45Å; E149-H170 VanDerWaalsContact O-CA 3.3Å; E149-H170 WeakPolarHBondContact O-CA 3.46Å; E149-H170 VanDerWaalsContact O-CB 3.23Å; E149-H170 WeakPolarHBondContact O-CB 3.43Å; E149-T171 WeakPolarHBondContact CB-OG1 3.27Å; E149-T171 PolarHBondContact N-O 2.73Å; E149-T171 PolarHBondContact O-N 3.19Å; E149-T171 PolarHBondContact O-OG1 3.2Å; E149-R173 VanDerWaalsContact CD-NH1 3.35Å; E149-R173 IonicContact OE1-NH1 3.4Å; E149-R173 PolarHBondContact OE1-NH1 3.18Å; E149-R173 WeakPolarHBondContact OE2-CD 3.45Å; E149-R173 WeakPolarHBondContact OE2-CG 3.3Å; E149-R173 IonicContact OE2-CZ 2.68Å; E149-R173 IonicContact OE2-NE 2.65Å; E149-R173 PolarHBondContact OE2-NE 3.37Å; E149-R173 IonicContact OE2-NH1 2.92Å; E149-R173 PolarHBondContact OE2-NH1 3.46Å; E149-F371 HydrophobicContact CG-CD2 3.72Å; E149-F371 HydrophobicContact CG-CE2 3.93Å
150	P	79.1	Confident	71.2	Confident	18 Å²	18	37.4 Å²	37.4	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.1	171.8	31.8	-31.6	0	0	0	108.4	K134 R135 S152	K134-P150 VanDerWaalsContact O-CD 3.25Å; K134-P150 WeakPolarHBondContact O-CD 3.49Å; R135-P150 HydrophobicContact CG-CG 3.73Å; P150-S152 PolarHBondContact O-N 2.83Å
151	I	72.6	Confident	69.5	Low	9 Å²	9	41.7 Å²	41.7	5%	0.046	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-55	123.8	171.6	-63	167.5	0	0	0	107.5	L51 E149 A155 R156 L159 L169	L51-I151 HydrophobicContact CD1-CD1 3.95Å; L51-I151 HydrophobicContact CD2-CD1 4Å; L51-I151 HydrophobicContact CD2-CG1 4.05Å; E149-I151 PolarHBondContact O-N 3.22Å; I151-A155 HydrophobicContact CG2-CB 3.52Å; I151-A155 WeakPolarHBondContact CG2-O 3.44Å; I151-R156 HydrophobicContact CB-CB 4.28Å; I151-R156 HydrophobicContact CG2-CB 3.79Å; I151-L159 HydrophobicContact CD1-CD1 3.74Å; I151-L159 HydrophobicContact CG2-CD1 3.94Å; I151-L169 HydrophobicContact CD1-CB 3.89Å; I151-L169 HydrophobicContact CD1-CD2 3.74Å; I151-L169 HydrophobicContact CD1-CG 3.65Å; I151-L169 WeakPolarHBondContact CD1-O 3.48Å
152	S	65.9	Low	68.3	Low	26 Å²	26	39 Å²	39	18%	0.182	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-56.3	154.3	-171.5	78.1	0	0	0	0	111.7	P150 I154 A155 R156	P150-S152 PolarHBondContact O-N 2.83Å; S152-I154 CarbonylContact O-C 3.58Å; S152-I154 PolarHBondContact O-N 2.83Å; S152-A155 CarbonylContact O-C 3.56Å; S152-A155 WeakPolarHBondContact O-CA 3.36Å; S152-A155 PolarHBondContact O-N 3.04Å; S152-A155 VanDerWaalsContact OG-CB 3.27Å; S152-A155 WeakPolarHBondContact OG-CB 3.29Å; S152-A155 PolarHBondContact OG-N 3.47Å; S152-A155 VanDerWaalsContact OG-N 3.12Å; S152-R156 WeakPolarHBondContact O-CB 3.48Å; S152-R156 PolarHBondContact O-N 3.23Å
153	P	63.4	Low	67	Low	56 Å²	56	33 Å²	33	36%	0.364	16%	0.163	S	C	.	.	H	α-helix	trans	-55.3	-30.7	-178.7	-28.6	36.2	0	0	0	114	R157 Y243	P153-R157 WeakPolarHBondContact O-CB 3.5Å; P153-R157 VanDerWaalsContact O-CG 3.32Å; P153-R157 WeakPolarHBondContact O-CG 2.95Å; P153-R157 PolarHBondContact O-N 2.04Å; P153-R157 PolarHBondContact O-NE 3Å; P153-Y243 HydrophobicContact CG-CD1 4.37Å; P153-Y243 HydrophobicContact CG-CE1 4.45Å
154	I	60.5	Low	66.2	Low	68 Å²	68	32.4 Å²	32.4	35%	0.349	16%	0.156	S	C	.	.	H	α-helix	trans	-68.7	-56.8	170.1	-62.7	168.6	0	0	0	109.9	S152 R156 R157 K158	S152-I154 CarbonylContact O-C 3.58Å; S152-I154 PolarHBondContact O-N 2.83Å; I154-R156 PolarHBondContact O-N 3.03Å; I154-R156 VanDerWaalsContact O-N 3.15Å; I154-R157 PolarHBondContact O-N 3.24Å; I154-K158 HydrophobicContact CG2-CD 4.17Å; I154-K158 WeakPolarHBondContact O-CB 3.29Å; I154-K158 VanDerWaalsContact O-CG 3.28Å; I154-K158 WeakPolarHBondContact O-CG 3.04Å; I154-K158 PolarHBondContact O-N 3.5Å
155	A	65.9	Low	65.4	Low	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-22.5	-179.4	0	0	0	0	0	113.5	L37 F38 I151 S152 K158 L159	L37-A155 HydrophobicContact CB-CB 4.33Å; L37-A155 HydrophobicContact CD2-CB 3.86Å; F38-A155 HydrophobicContact CD1-CB 4.07Å; F38-A155 HydrophobicContact CD2-CB 4.28Å; F38-A155 HydrophobicContact CE1-CB 3.7Å; F38-A155 HydrophobicContact CE2-CB 3.89Å; F38-A155 HydrophobicContact CG-CB 4.35Å; F38-A155 HydrophobicContact CZ-CB 3.58Å; I151-A155 HydrophobicContact CG2-CB 3.52Å; I151-A155 WeakPolarHBondContact CG2-O 3.44Å; S152-A155 CarbonylContact O-C 3.56Å; S152-A155 WeakPolarHBondContact O-CA 3.36Å; S152-A155 PolarHBondContact O-N 3.04Å; S152-A155 VanDerWaalsContact OG-CB 3.27Å; S152-A155 WeakPolarHBondContact OG-CB 3.29Å; S152-A155 PolarHBondContact OG-N 3.47Å; S152-A155 VanDerWaalsContact OG-N 3.12Å; A155-K158 CarbonylContact O-C 3.53Å; A155-K158 WeakPolarHBondContact O-CB 3.42Å; A155-L159 WeakPolarHBondContact O-CG 3.35Å; A155-L159 PolarHBondContact O-N 2.04Å
156	R	61.8	Low	64.5	Low	58 Å²	58	37.8 Å²	37.8	22%	0.219	17%	0.174	C	C	.	.	H	α-helix	trans	-94.5	-39.2	-176.7	-178.7	-174.7	165.2	156.7	6.7	112.7	S132 I151 S152 I154 K158 L159 Q160 V166	S132-R156 PolarHBondContact O-NH1 3.38Å; S132-R156 VanDerWaalsContact OG-CZ 3.24Å; S132-R156 PolarHBondContact OG-NH1 3.23Å; S132-R156 PolarHBondContact OG-NH2 2.76Å; I151-R156 HydrophobicContact CB-CB 4.28Å; I151-R156 HydrophobicContact CG2-CB 3.79Å; S152-R156 WeakPolarHBondContact O-CB 3.48Å; S152-R156 PolarHBondContact O-N 3.23Å; I154-R156 PolarHBondContact O-N 3.03Å; I154-R156 VanDerWaalsContact O-N 3.15Å; R156-K158 PolarHBondContact O-N 2.83Å; R156-L159 CarbonylContact O-C 3.45Å; R156-L159 WeakPolarHBondContact O-CA 3.44Å; R156-L159 PolarHBondContact O-N 3.3Å; R156-Q160 HydrophobicContact CG-CG 4.43Å; R156-Q160 WeakPolarHBondContact O-CB 3.03Å; R156-Q160 VanDerWaalsContact O-CG 3.25Å; R156-Q160 WeakPolarHBondContact O-CG 3.04Å; R156-Q160 PolarHBondContact O-N 3.45Å; R156-Q160 PolarHBondContact O-OE1 3.2Å; R156-V166 HydrophobicContact CG-CG2 4.39Å
157	R	61.3	Low	63.8	Low	135 Å²	135	41 Å²	41	51%	0.509	19%	0.192	S	C	.	.	H	α-helix	trans	-52.8	-48.8	159.7	-77.6	-173.9	-61	-98.4	5	108	P153 I154 L159 Q160 E161 L472	P153-R157 WeakPolarHBondContact O-CB 3.5Å; P153-R157 VanDerWaalsContact O-CG 3.32Å; P153-R157 WeakPolarHBondContact O-CG 2.95Å; P153-R157 PolarHBondContact O-N 2.04Å; P153-R157 PolarHBondContact O-NE 3Å; I154-R157 PolarHBondContact O-N 3.24Å; R157-L159 PolarHBondContact O-N 3.38Å; R157-Q160 PolarHBondContact O-N 3.42Å; R157-E161 VanDerWaalsContact C-OE1 3.28Å; R157-E161 PolarHBondContact O-N 2.91Å; R157-L472 WeakPolarHBondContact O-CD1 3.49Å
158	K	55.2	Low	63.3	Low	41 Å²	41	41 Å²	41	18%	0.178	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	11.7	167	-71.1	-176.5	179.4	175.1	0	116.8	H36 L37 I154 A155 R156 L472	H36-K158 PolarHBondContact O-NZ 3.08Å; L37-K158 HydrophobicContact CD2-CB 3.67Å; L37-K158 HydrophobicContact CD2-CD 3.96Å; L37-K158 PolarHBondContact O-NZ 3.06Å; I154-K158 HydrophobicContact CG2-CD 4.17Å; I154-K158 WeakPolarHBondContact O-CB 3.29Å; I154-K158 VanDerWaalsContact O-CG 3.28Å; I154-K158 WeakPolarHBondContact O-CG 3.04Å; I154-K158 PolarHBondContact O-N 3.5Å; A155-K158 CarbonylContact O-C 3.53Å; A155-K158 WeakPolarHBondContact O-CB 3.42Å; R156-K158 PolarHBondContact O-N 2.83Å; K158-L472 VanDerWaalsContact C-CB 3.46Å; K158-L472 HydrophobicContact CB-CB 4.14Å; K158-L472 WeakPolarHBondContact CB-O 3.47Å; K158-L472 VanDerWaalsContact CD-O 3.32Å; K158-L472 WeakPolarHBondContact CD-O 3.47Å; K158-L472 VanDerWaalsContact CG-O 3.25Å; K158-L472 WeakPolarHBondContact CG-O 3.49Å; K158-L472 CarbonylContact O-C 3.54Å; K158-L472 WeakPolarHBondContact O-CB 3.38Å
159	L	60.7	Low	62.8	Low	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-133.9	1	164.8	-76.3	174.6	0	0	0	113.7	F28 L51 I151 A155 R156 R157 F162 S164 V166 L169 V473	F28-L159 HydrophobicContact CE1-CD1 4.18Å; F28-L159 HydrophobicContact CE1-CD2 3.8Å; F28-L159 HydrophobicContact CZ-CD1 4.3Å; F28-L159 HydrophobicContact CZ-CD2 3.57Å; L51-L159 HydrophobicContact CD1-CD1 3.81Å; I151-L159 HydrophobicContact CD1-CD1 3.74Å; I151-L159 HydrophobicContact CG2-CD1 3.94Å; A155-L159 WeakPolarHBondContact O-CG 3.35Å; A155-L159 PolarHBondContact O-N 2.04Å; R156-L159 CarbonylContact O-C 3.45Å; R156-L159 WeakPolarHBondContact O-CA 3.44Å; R156-L159 PolarHBondContact O-N 3.3Å; R157-L159 PolarHBondContact O-N 3.38Å; L159-F162 HydrophobicContact CD2-CD2 3.41Å; L159-F162 VanDerWaalsContact CD2-CD2 3.41Å; L159-F162 HydrophobicContact CD2-CE2 3.4Å; L159-F162 VanDerWaalsContact CD2-CE2 3.4Å; L159-F162 HydrophobicContact CD2-CG 4.46Å; L159-F162 HydrophobicContact CD2-CZ 4.47Å; L159-S164 PolarHBondContact O-N 2.79Å; L159-V166 HydrophobicContact CB-CG1 3.58Å; L159-V166 WeakPolarHBondContact O-CG1 3.29Å; L159-L169 HydrophobicContact CD1-CD2 3.93Å; L159-V473 HydrophobicContact CD2-CG2 3.41Å; L159-V473 VanDerWaalsContact CD2-CG2 3.41Å; L159-V473 HydrophobicContact CG-CG2 4.31Å
160	Q	59.5	Low	63	Low	82 Å²	82	40.1 Å²	40.1	38%	0.383	19%	0.189	S	C	.	.	H	α-helix	trans	-104.1	-42.3	-177.5	-77.1	175.2	-61.7	0	0	114.1	R156 R157 F162 G163 V166	R156-Q160 HydrophobicContact CG-CG 4.43Å; R156-Q160 WeakPolarHBondContact O-CB 3.03Å; R156-Q160 VanDerWaalsContact O-CG 3.25Å; R156-Q160 WeakPolarHBondContact O-CG 3.04Å; R156-Q160 PolarHBondContact O-N 3.45Å; R156-Q160 PolarHBondContact O-OE1 3.2Å; R157-Q160 PolarHBondContact O-N 3.42Å; Q160-F162 PolarHBondContact O-N 2.78Å; Q160-G163 WeakPolarHBondContact O-CA 3.15Å; Q160-G163 PolarHBondContact O-N 2.86Å; Q160-V166 HydrophobicContact CG-CB 4.37Å; Q160-V166 HydrophobicContact CG-CG1 3.91Å; Q160-V166 HydrophobicContact CG-CG2 3.51Å
161	E	47.5	Very low	63.1	Low	115 Å²	115	39.3 Å²	39.3	54%	0.537	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	5.8	172.3	-22.8	138.9	-146	0	0	112.5	R157 L472	R157-E161 VanDerWaalsContact C-OE1 3.28Å; R157-E161 PolarHBondContact O-N 2.91Å; E161-L472 VanDerWaalsContact C-CD1 3.48Å; E161-L472 HydrophobicContact CB-CD1 3.8Å; E161-L472 HydrophobicContact CB-CD2 3.77Å; E161-L472 HydrophobicContact CB-CG 4.17Å; E161-L472 HydrophobicContact CG-CD1 4.21Å; E161-L472 HydrophobicContact CG-CD2 4.02Å; E161-L472 VanDerWaalsContact N-CD1 3.33Å; E161-L472 WeakPolarHBondContact OE2-CD2 3.34Å
162	F	52.1	Low	63.4	Low	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-19.2	-175.1	-129.9	28.8	0	0	0	112.4	L159 Q160 Y464 Q468 Q469 L472 V473 H508	L159-F162 HydrophobicContact CD2-CD2 3.41Å; L159-F162 VanDerWaalsContact CD2-CD2 3.41Å; L159-F162 HydrophobicContact CD2-CE2 3.4Å; L159-F162 VanDerWaalsContact CD2-CE2 3.4Å; L159-F162 HydrophobicContact CD2-CG 4.46Å; L159-F162 HydrophobicContact CD2-CZ 4.47Å; Q160-F162 PolarHBondContact O-N 2.78Å; F162-Y464 WeakPolarHBondContact O-CB 3.08Å; F162-Q468 WeakPolarHBondContact CD1-O 3.14Å; F162-Q468 VanDerWaalsContact CE1-O 3.3Å; F162-Q468 WeakPolarHBondContact CE1-O 3.21Å; F162-Q468 WeakPolarHBondContact O-CB 3.34Å; F162-Q469 WeakPolarHBondContact CE1-O 3.45Å; F162-Q469 WeakPolarHBondContact CZ-O 3.5Å; F162-L472 HydrophobicContact CB-CB 4.42Å; F162-L472 HydrophobicContact CB-CD1 3.45Å; F162-L472 VanDerWaalsContact CB-CD1 3.45Å; F162-L472 HydrophobicContact CB-CG 4.07Å; F162-L472 HydrophobicContact CD1-CB 3.23Å; F162-L472 HydrophobicContact CD1-CD1 3.8Å; F162-L472 HydrophobicContact CD1-CG 3.49Å; F162-L472 VanDerWaalsContact CD1-CG 3.49Å; F162-L472 HydrophobicContact CE1-CB 3.59Å; F162-L472 HydrophobicContact CE1-CG 4.29Å; F162-L472 HydrophobicContact CG-CB 3.86Å; F162-L472 HydrophobicContact CG-CD1 3.77Å; F162-L472 HydrophobicContact CG-CG 4Å; F162-L472 HydrophobicContact CZ-CB 4.43Å; F162-V473 HydrophobicContact CD2-CG2 4.3Å; F162-V473 HydrophobicContact CE1-CG2 4.18Å; F162-V473 HydrophobicContact CE2-CB 4.31Å; F162-V473 HydrophobicContact CE2-CG2 3.26Å; F162-V473 HydrophobicContact CZ-CB 3.79Å; F162-V473 HydrophobicContact CZ-CG2 3.22Å; F162-H508 AromaticContact CD2-NE2 3.92Å; F162-H508 AromaticContact CE2-CD2 3.69Å; F162-H508 AromaticContact CE2-NE2 2.98Å; F162-H508 WeakPolarHBondContact CE2-NE2 3.36Å; F162-H508 AromaticContact CZ-NE2 3.37Å; F162-H508 WeakPolarHBondContact CZ-NE2 3.45Å
163	G	47.3	Very low	63.8	Low	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn		-50.4	122.7	-85.6	0	0	0	0	0	117.9	Q160 Y464 L511	Q160-G163 WeakPolarHBondContact O-CA 3.15Å; Q160-G163 PolarHBondContact O-N 2.86Å; G163-Y464 VanDerWaalsContact N-CE1 3.34Å; G163-Y464 WeakPolarHBondContact O-CD2 3.45Å; G163-Y464 VanDerWaalsContact O-CE2 3.31Å; G163-Y464 WeakPolarHBondContact O-CE2 3.37Å; G163-Y464 VanDerWaalsContact O-CG 3.27Å; G163-L511 WeakPolarHBondContact O-CD1 3.18Å
164	S	53.3	Low	64	Low	3 Å²	3	41.4 Å²	41.4	2%	0.021	18%	0.183	C	C	.	.			trans	-65.7	142.9	138.8	-84	0	0	0	0	107.3	L159 V166	L159-S164 PolarHBondContact O-N 2.79Å; S164-V166 WeakPolarHBondContact O-CG1 2.93Å; S164-V166 PolarHBondContact O-N 3.08Å
165	R	54.9	Low	63.9	Low	134 Å²	134	40.1 Å²	40.1	51%	0.506	17%	0.173	S	C	.	.			trans	-66.7	89.1	162.9	-176.8	-177.8	178.5	-179.5	0.7	107.7	R53 D167 P460	R53-R165 VanDerWaalsContact CZ-O 3.26Å; R53-R165 PolarHBondContact NH1-O 3.31Å; R53-R165 PolarHBondContact NH2-O 2.87Å; R165-D167 HydrophobicContact CG-CB 4.15Å; R165-D167 IonicContact CZ-OD2 2.7Å; R165-D167 IonicContact NE-OD2 3.81Å; R165-D167 PolarHBondContact NE-OD2 3.36Å; R165-D167 IonicContact NH2-OD2 3.49Å; R165-D167 PolarHBondContact NH2-OD2 3.5Å; R165-D167 PolarHBondContact O-N 3.37Å; R165-D167 VanDerWaalsContact O-N 3.11Å; R165-P460 HydrophobicContact CB-CB 4.12Å; R165-P460 HydrophobicContact CB-CG 3.8Å
166	V	58.8	Low	63.2	Low	9 Å²	9	43.7 Å²	43.7	6%	0.055	19%	0.192	C	C	.	.			trans	-68.4	-6.3	-173.3	-60.8	0	0	0	0	114	R156 L159 Q160 S164 G168 L169	R156-V166 HydrophobicContact CG-CG2 4.39Å; L159-V166 HydrophobicContact CB-CG1 3.58Å; L159-V166 WeakPolarHBondContact O-CG1 3.29Å; Q160-V166 HydrophobicContact CG-CB 4.37Å; Q160-V166 HydrophobicContact CG-CG1 3.91Å; Q160-V166 HydrophobicContact CG-CG2 3.51Å; S164-V166 WeakPolarHBondContact O-CG1 2.93Å; S164-V166 PolarHBondContact O-N 3.08Å; V166-G168 PolarHBondContact O-N 3.35Å; V166-G168 VanDerWaalsContact O-N 3.1Å; V166-L169 HydrophobicContact CB-CB 4.44Å; V166-L169 HydrophobicContact CG1-CD2 4.36Å; V166-L169 WeakPolarHBondContact O-CB 3.32Å; V166-L169 PolarHBondContact O-N 3.4Å
167	D	68	Low	62.5	Low	78 Å²	78	42.8 Å²	42.8	42%	0.417	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	116.2	169.7	-56.8	-32.5	0	0	0	110.2	R53 R165 L169	R53-D167 PolarHBondContact NH1-O 3.31Å; R165-D167 HydrophobicContact CG-CB 4.15Å; R165-D167 IonicContact CZ-OD2 2.7Å; R165-D167 IonicContact NE-OD2 3.81Å; R165-D167 PolarHBondContact NE-OD2 3.36Å; R165-D167 IonicContact NH2-OD2 3.49Å; R165-D167 PolarHBondContact NH2-OD2 3.5Å; R165-D167 PolarHBondContact O-N 3.37Å; R165-D167 VanDerWaalsContact O-N 3.11Å; D167-L169 VanDerWaalsContact C-N 3.27Å; D167-L169 PolarHBondContact O-N 3.18Å
168	G	71.5	Confident	61.6	Low	7 Å²	7	37.5 Å²	37.5	7%	0.072	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-1.9	-176.8	0	0	0	0	0	115.4	R53 L54 V166 H170	R53-G168 CarbonylContact C-O 3.57Å; R53-G168 WeakPolarHBondContact CA-O 3.26Å; L54-G168 PolarHBondContact N-O 3.32Å; L54-G168 WeakPolarHBondContact O-CA 3.15Å; V166-G168 PolarHBondContact O-N 3.35Å; V166-G168 VanDerWaalsContact O-N 3.1Å; G168-H170 VanDerWaalsContact C-CE1 3.47Å; G168-H170 PolarHBondContact O-CE1 2.96Å; G168-H170 PolarHBondContact O-ND1 3.47Å
169	L	78.8	Confident	60.7	Low	3 Å²	3	40 Å²	40	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.2	179.1	-157.9	75.1	0	0	0	110.5	L51 I52 R53 I151 L159 V166 D167	L51-L169 HydrophobicContact CD1-CD1 4.34Å; L51-L169 HydrophobicContact CD1-CD2 3.77Å; L51-L169 HydrophobicContact CD1-CG 3.93Å; I52-L169 WeakPolarHBondContact O-CA 3.49Å; R53-L169 HydrophobicContact CB-CD1 4.28Å; I151-L169 HydrophobicContact CD1-CB 3.89Å; I151-L169 HydrophobicContact CD1-CD2 3.74Å; I151-L169 HydrophobicContact CD1-CG 3.65Å; I151-L169 WeakPolarHBondContact CD1-O 3.48Å; L159-L169 HydrophobicContact CD1-CD2 3.93Å; V166-L169 HydrophobicContact CB-CB 4.44Å; V166-L169 HydrophobicContact CG1-CD2 4.36Å; V166-L169 WeakPolarHBondContact O-CB 3.32Å; V166-L169 PolarHBondContact O-N 3.4Å; D167-L169 VanDerWaalsContact C-N 3.27Å; D167-L169 PolarHBondContact O-N 3.18Å
170	H	84.5	Confident	59.4	Low	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154	-173.3	-64.6	88.1	0	0	0	109.8	L51 I52 K134 I148 E149 G168	L51-H170 CarbonylContact C-O 3.55Å; L51-H170 WeakPolarHBondContact CA-O 3.23Å; L51-H170 WeakPolarHBondContact CD2-O 3.38Å; I52-H170 HydrophobicContact CD1-CB 4.32Å; I52-H170 HydrophobicContact CG1-CB 4.03Å; I52-H170 WeakPolarHBondContact CG1-O 3.38Å; I52-H170 PolarHBondContact N-O 3.04Å; I52-H170 PolarHBondContact O-N 3.03Å; K134-H170 WeakPolarHBondContact CB-NE2 3.25Å; K134-H170 WeakPolarHBondContact CG-NE2 3.32Å; K134-H170 PolarHBondContact N-NE2 3.12Å; K134-H170 PolarHBondContact O-CD2 3.43Å; K134-H170 VanDerWaalsContact O-CD2 3.24Å; I148-H170 HydrophobicContact CG2-CB 3.95Å; E149-H170 CarbonylContact O-C 3.45Å; E149-H170 VanDerWaalsContact O-CA 3.3Å; E149-H170 WeakPolarHBondContact O-CA 3.46Å; E149-H170 VanDerWaalsContact O-CB 3.23Å; E149-H170 WeakPolarHBondContact O-CB 3.43Å; G168-H170 VanDerWaalsContact C-CE1 3.47Å; G168-H170 PolarHBondContact O-CE1 2.96Å; G168-H170 PolarHBondContact O-ND1 3.47Å
171	T	82	Confident	58.3	Low	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	139.3	164.4	30.4	0	0	0	0	109.2	F38 F49 L51 I148 E149	F38-T171 HydrophobicContact CE2-CG2 4.31Å; F38-T171 HydrophobicContact CZ-CG2 3.88Å; F49-T171 HydrophobicContact CD2-CG2 3.59Å; F49-T171 HydrophobicContact CE2-CG2 3.64Å; F49-T171 HydrophobicContact CG-CG2 4.14Å; F49-T171 HydrophobicContact CZ-CG2 4.21Å; L51-T171 HydrophobicContact CD2-CG2 3.38Å; I148-T171 WeakPolarHBondContact CA-O 3.44Å; E149-T171 WeakPolarHBondContact CB-OG1 3.27Å; E149-T171 PolarHBondContact N-O 2.73Å; E149-T171 PolarHBondContact O-N 3.19Å; E149-T171 PolarHBondContact O-OG1 3.2Å
172	L	79.4	Confident	57.7	Low	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	103.6	168.6	-172.9	62.3	0	0	0	107.4	N50 I52 H70 L138 L146 L147 I148	N50-L172 HydrophobicContact CB-CB 4.39Å; N50-L172 PolarHBondContact N-O 3.33Å; N50-L172 PolarHBondContact O-N 2.9Å; N50-L172 PolarHBondContact OD1-O 3.11Å; I52-L172 HydrophobicContact CB-CB 4.39Å; I52-L172 HydrophobicContact CD1-CB 3.96Å; I52-L172 HydrophobicContact CD1-CD1 4.14Å; I52-L172 HydrophobicContact CD1-CD2 4.38Å; I52-L172 HydrophobicContact CD1-CG 4.41Å; I52-L172 HydrophobicContact CG1-CB 3.92Å; I52-L172 HydrophobicContact CG2-CB 3.69Å; I52-L172 HydrophobicContact CG2-CD2 3.51Å; I52-L172 HydrophobicContact CG2-CG 4.21Å; H70-L172 HydrophobicContact CB-CD2 4.17Å; L138-L172 HydrophobicContact CB-CD1 4.44Å; L138-L172 HydrophobicContact CD2-CD1 4.47Å; L138-L172 HydrophobicContact CD2-CD2 4.09Å; L146-L172 HydrophobicContact CB-CD1 3.38Å; L146-L172 HydrophobicContact CB-CD2 4.19Å; L146-L172 HydrophobicContact CB-CG 3.72Å; L146-L172 HydrophobicContact CD1-CD2 3.79Å; L146-L172 HydrophobicContact CD1-CG 4.13Å; L147-L172 WeakPolarHBondContact O-CA 3.42Å; I148-L172 HydrophobicContact CG1-CD1 3.71Å
173	R	73.8	Confident	57	Low	43 Å²	43	51.7 Å²	51.7	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.9	176.7	-53	-159.9	147.2	128.8	-1.5	109.7	F49 L146 L147 E149	F49-R173 HydrophobicContact CB-CB 4.38Å; F49-R173 HydrophobicContact CB-CG 3.79Å; L146-R173 CarbonylContact C-O 3.47Å; L146-R173 WeakPolarHBondContact CA-O 3.5Å; L147-R173 HydrophobicContact CB-CB 4.33Å; L147-R173 PolarHBondContact N-O 3.43Å; L147-R173 PolarHBondContact O-N 3.19Å; E149-R173 VanDerWaalsContact CD-NH1 3.35Å; E149-R173 IonicContact OE1-NH1 3.4Å; E149-R173 PolarHBondContact OE1-NH1 3.18Å; E149-R173 WeakPolarHBondContact OE2-CD 3.45Å; E149-R173 WeakPolarHBondContact OE2-CG 3.3Å; E149-R173 IonicContact OE2-CZ 2.68Å; E149-R173 IonicContact OE2-NE 2.65Å; E149-R173 PolarHBondContact OE2-NE 3.37Å; E149-R173 IonicContact OE2-NH1 2.92Å; E149-R173 PolarHBondContact OE2-NH1 3.46Å
174	K	67.6	Low	56.6	Low	93 Å²	93	56.1 Å²	56.1	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	153.6	154.1	-151.5	-175.6	-165.5	-167.2	0	108.3	L146 D176 D408	L146-K174 HydrophobicContact CD2-CB 4.02Å; L146-K174 HydrophobicContact CD2-CG 3.75Å; K174-D176 PolarHBondContact O-N 2.89Å; K174-D176 VanDerWaalsContact O-N 3.12Å; K174-D408 WeakPolarHBondContact CD-OD1 3.27Å; K174-D408 WeakPolarHBondContact CE-OD1 3.16Å; K174-D408 WeakPolarHBondContact CE-OD2 3.29Å; K174-D408 IonicContact NZ-OD1 2.63Å; K174-D408 PolarHBondContact NZ-OD1 3.29Å; K174-D408 IonicContact NZ-OD2 3.8Å; K174-D408 PolarHBondContact NZ-OD2 2.9Å
175	R	57.7	Low	55.7	Low	41 Å²	41	62.1 Å²	62.1	16%	0.155	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-57.3	117.8	162.2	178.7	-179	-174.6	174	4.7	107.2
176	D	51.8	Low	55	Low	74 Å²	74	59.2 Å²	59.2	40%	0.396	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72	139.8	165.9	-155.7	-14.2	0	0	0	108.4	A47 K174 G178	A47-D176 WeakPolarHBondContact CA-OD2 3.24Å; A47-D176 HydrophobicContact CB-CB 3.61Å; A47-D176 WeakPolarHBondContact CB-OD2 3.48Å; A47-D176 PolarHBondContact N-OD2 2.92Å; A47-D176 VanDerWaalsContact N-OD2 3.12Å; K174-D176 PolarHBondContact O-N 2.89Å; K174-D176 VanDerWaalsContact O-N 3.12Å; D176-G178 WeakPolarHBondContact OD1-CA 3.47Å; D176-G178 PolarHBondContact OD1-N 2.85Å
177	T	46.9	Very low	54.4	Low	40 Å²	40	63.9 Å²	63.9	25%	0.245	35%	0.352	C	S	.	.			trans	-112.9	-1.4	169.3	65.6	0	0	0	0	111.4	Y181 V406	T177-Y181 WeakPolarHBondContact O-CB 3.26Å; T177-Y181 WeakPolarHBondContact O-CD2 3.48Å; T177-V406 HydrophobicContact CG2-CG1 3.85Å
178	G	42.1	Very low	53.7	Low	23 Å²	23	61.9 Å²	61.9	24%	0.237	34%	0.344	C	S	.	.			trans	72.9	123.9	-175.3	0	0	0	0	0	111.9	D176 I180 Y181	D176-G178 WeakPolarHBondContact OD1-CA 3.47Å; D176-G178 PolarHBondContact OD1-N 2.85Å; G178-I180 PolarHBondContact O-N 3.14Å; G178-Y181 PolarHBondContact O-N 2.84Å
179	G	36.5	Very low	52.6	Low	95 Å²	95	64.2 Å²	64.2	98%	0.979	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	0.3	173.6	0	0	0	0	0	115.2
180	I	33.2	Very low	51.1	Low	146 Å²	146	65 Å²	65	75%	0.749	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-27.7	174.8	-61	170.4	0	0	0	111	G178 Q182	G178-I180 PolarHBondContact O-N 3.14Å; I180-Q182 PolarHBondContact O-N 3.5Å
181	Y	36.3	Very low	49.1	Very low	89 Å²	89	68.8 Å²	68.8	35%	0.349	38%	0.384	S	S	.	.			trans	-79.6	89.5	-178	-75.1	-105.7	0	0	0	110.8	T177 G178 P183 H186	T177-Y181 WeakPolarHBondContact O-CB 3.26Å; T177-Y181 WeakPolarHBondContact O-CD2 3.48Å; G178-Y181 PolarHBondContact O-N 2.84Å; Y181-P183 WeakPolarHBondContact O-CD 3.49Å; Y181-H186 HydrophobicContact CD1-CB 4.3Å; Y181-H186 AromaticContact CD1-CD2 3.56Å; Y181-H186 AromaticContact CE1-CD2 3.82Å
182	Q	35.7	Very low	47.3	Very low	108 Å²	108	70 Å²	70	51%	0.505	39%	0.389	S	S	.	.			trans	-65.2	125.3	166.6	-66.2	-163.4	27.5	0	0	109.7	I180 S184 E185	I180-Q182 PolarHBondContact O-N 3.5Å; Q182-S184 PolarHBondContact O-N 2.88Å; Q182-E185 HydrophobicContact CB-CB 4.4Å; Q182-E185 HydrophobicContact CB-CG 4.19Å; Q182-E185 PolarHBondContact O-N 3.08Å
183	P	37.5	Very low	45.2	Very low	98 Å²	98	75.1 Å²	75.1	64%	0.636	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.4	-177.6	-26.9	35.7	0	0	0	115.2	Y181 F405	Y181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-F405 VanDerWaalsContact O-CD1 3.29Å; P183-F405 WeakPolarHBondContact O-CD1 2.98Å
184	S	38.2	Very low	43.2	Very low	94 Å²	94	79 Å²	79	66%	0.657	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-23.1	177.4	40.4	0	0	0	0	114.8	Q182	Q182-S184 PolarHBondContact O-N 2.88Å
185	E	34.4	Very low	41.7	Very low	129 Å²	129	79 Å²	79	60%	0.603	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-17.4	-165.9	-63.3	-164.3	140.2	0	0	114.5	Q182	Q182-E185 HydrophobicContact CB-CB 4.4Å; Q182-E185 HydrophobicContact CB-CG 4.19Å; Q182-E185 PolarHBondContact O-N 3.08Å
186	H	41.3	Very low	40.2	Very low	72 Å²	72	85.1 Å²	85.1	33%	0.333	47%	0.473	S	S	.	.			trans	-121.9	84.1	-174.3	-63.2	-0.9	0	0	0	111.1	Y181	Y181-H186 HydrophobicContact CD1-CB 4.3Å; Y181-H186 AromaticContact CD1-CD2 3.56Å; Y181-H186 AromaticContact CE1-CD2 3.82Å
187	K	44.8	Very low	39.3	Very low	107 Å²	107	91.6 Å²	91.6	47%	0.465	49%	0.492	S	S	.	.			trans	-79.8	136.8	166.5	-171.1	-174.5	177.3	178.2	0	109.2	L189 D392 P404 F405	K187-L189 PolarHBondContact O-N 3.22Å; K187-D392 IonicContact NZ-OD1 3.51Å; K187-D392 IonicContact NZ-OD2 3.54Å; K187-D392 PolarHBondContact NZ-OD2 2.94Å; K187-P404 HydrophobicContact CG-CB 4.08Å; K187-F405 HydrophobicContact CB-CE1 4.08Å; K187-F405 HydrophobicContact CG-CE1 4.4Å
188	C	53.5	Low	38.6	Very low	37 Å²	37	99.3 Å²	99.3	25%	0.25	52%	0.522	C	S	.	.			trans	-50.9	131.6	169.5	-178.4	0	0	0	0	111.3	H190 H389 P404	C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.91Å; C188-H389 WeakPolarHBondContact CB-NE2 3.16Å; C188-H389 PolarHBondContact SG-NE2 3.08Å; C188-H389 VanDerWaalsContact SG-NE2 3.43Å; C188-P404 HydrophobicContact CB-CB 4.08Å; C188-P404 VanDerWaalsContact CB-O 3.31Å; C188-P404 WeakPolarHBondContact CB-O 3.25Å; C188-P404 PolarHBondContact N-O 2.95Å
189	L	48.6	Very low	38.2	Very low	56 Å²	56	104 Å²	104	29%	0.293	54%	0.542	S	S	.	.			trans	-82.3	8.4	-165.1	-81.8	161.1	0	0	0	115	K187 S191 L344 V347	K187-L189 PolarHBondContact O-N 3.22Å; L189-S191 PolarHBondContact O-N 3.2Å; L189-L344 HydrophobicContact CD1-CB 3.96Å; L189-L344 HydrophobicContact CD1-CD1 4.13Å; L189-L344 HydrophobicContact CD2-CD1 4.38Å; L189-V347 HydrophobicContact CB-CG2 4.26Å; L189-V347 HydrophobicContact CD1-CG2 3.76Å
190	H	46.8	Very low	38	Very low	20 Å²	20	104.6 Å²	104.6	9%	0.093	53%	0.53	C	S	.	.			trans	-60.2	103.6	172.3	-79.1	-60	0	0	0	111.9	C188 F192 F350 E380 H383	C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.91Å; H190-F192 HydrophobicContact CB-CD1 4.47Å; H190-F192 HydrophobicContact CB-CE1 3.86Å; H190-F192 HydrophobicContact CB-CZ 3.93Å; H190-F192 PolarHBondContact O-N 3.24Å; H190-F350 AromaticContact CE1-CD2 3.34Å; H190-F350 WeakPolarHBondContact CE1-CD2 3.24Å; H190-F350 AromaticContact CE1-CE2 3.2Å; H190-F350 WeakPolarHBondContact CE1-CE2 3.25Å; H190-F350 AromaticContact CE1-CZ 3.82Å; H190-F350 AromaticContact ND1-CD2 3.9Å; H190-F350 AromaticContact ND1-CE2 3.26Å; H190-F350 VanDerWaalsContact ND1-CE2 3.26Å; H190-F350 WeakPolarHBondContact ND1-CE2 3.41Å; H190-F350 AromaticContact ND1-CZ 3.75Å; H190-F350 AromaticContact NE2-CD2 3.86Å; H190-E380 IonicContact NE2-OE2 3.62Å; H190-H383 AromaticContact CD2-CD2 3.56Å; H190-H383 AromaticContact CD2-NE2 3.35Å; H190-H383 PolarHBondContact CD2-NE2 2.85Å; H190-H383 AromaticContact NE2-CD2 3.4Å; H190-H383 PolarHBondContact NE2-CD2 2.87Å; H190-H383 AromaticContact NE2-NE2 3.74Å
191	S	42.6	Very low	37.8	Very low	79 Å²	79	108.3 Å²	108.3	55%	0.552	54%	0.535	S	S	*	.			trans	-82	103.1	168.9	-176.3	0	0	0	0	110.4	L189 D193	L189-S191 PolarHBondContact O-N 3.2Å; S191-D193 PolarHBondContact O-N 2.96Å
192	F	44.6	Very low	37.8	Very low	26 Å²	26	108.9 Å²	108.9	11%	0.114	55%	0.55	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.2	178.9	-56.7	-59.4	0	0	0	114.4	H190 T194 L195 R196 V353 M388 H389 D392	H190-F192 HydrophobicContact CB-CD1 4.47Å; H190-F192 HydrophobicContact CB-CE1 3.86Å; H190-F192 HydrophobicContact CB-CZ 3.93Å; H190-F192 PolarHBondContact O-N 3.24Å; F192-T194 VanDerWaalsContact C-N 3.29Å; F192-T194 PolarHBondContact O-N 2.91Å; F192-L195 HydrophobicContact CD1-CD1 4.19Å; F192-L195 CarbonylContact O-C 3.59Å; F192-L195 WeakPolarHBondContact O-CA 3.49Å; F192-L195 PolarHBondContact O-N 3.07Å; F192-R196 PolarHBondContact O-N 3.1Å; F192-V353 HydrophobicContact CE1-CG2 4.15Å; F192-M388 HydrophobicContact CB-CE 4.13Å; F192-M388 HydrophobicContact CD1-CE 3.47Å; F192-M388 VanDerWaalsContact CD1-CE 3.47Å; F192-M388 HydrophobicContact CD1-SD 4.49Å; F192-M388 HydrophobicContact CD2-CE 3.71Å; F192-M388 HydrophobicContact CE1-CE 3.68Å; F192-M388 HydrophobicContact CE1-SD 4.41Å; F192-M388 HydrophobicContact CE2-CE 3.88Å; F192-M388 HydrophobicContact CG-CE 3.5Å; F192-M388 VanDerWaalsContact CG-CE 3.5Å; F192-M388 HydrophobicContact CZ-CE 3.89Å; F192-H389 HydrophobicContact CE2-CB 4.17Å; F192-H389 AromaticContact CE2-CE1 3.91Å; F192-H389 AromaticContact CE2-CG 3.79Å; F192-H389 AromaticContact CE2-ND1 3.24Å; F192-H389 WeakPolarHBondContact CE2-ND1 3.44Å; F192-H389 HydrophobicContact CZ-CB 4.33Å; F192-H389 AromaticContact CZ-CE1 3.76Å; F192-H389 AromaticContact CZ-CG 3.72Å; F192-H389 AromaticContact CZ-ND1 3.42Å; F192-H389 WeakPolarHBondContact CZ-ND1 3.45Å; F192-D392 HydrophobicContact CE2-CB 4.44Å
193	D	34.9	Very low	37.8	Very low	107 Å²	107	110.7 Å²	110.7	57%	0.572	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-27.2	-178.3	-80.8	-41.8	0	0	0	113	S191 L195 R196	S191-D193 PolarHBondContact O-N 2.96Å; D193-L195 VanDerWaalsContact C-N 3.32Å; D193-R196 IonicContact OD1-CZ 3.66Å; D193-R196 IonicContact OD1-NH1 2.83Å; D193-R196 PolarHBondContact OD1-NH1 3.05Å
194	T	32.9	Very low	37.9	Very low	125 Å²	125	116.7 Å²	116.7	77%	0.767	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-24.1	169.2	55.6	0	0	0	0	112.8	F192	F192-T194 VanDerWaalsContact C-N 3.29Å; F192-T194 PolarHBondContact O-N 2.91Å
195	L	34.8	Very low	38.3	Very low	94 Å²	94	114.7 Å²	114.7	49%	0.492	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.4	-5.4	178.8	-69.7	170.5	0	0	0	113.3	F192 D193 R197 V353	F192-L195 HydrophobicContact CD1-CD1 4.19Å; F192-L195 CarbonylContact O-C 3.59Å; F192-L195 WeakPolarHBondContact O-CA 3.49Å; F192-L195 PolarHBondContact O-N 3.07Å; D193-L195 VanDerWaalsContact C-N 3.32Å; L195-R197 PolarHBondContact O-N 3.02Å; L195-V353 HydrophobicContact CD1-CB 3.97Å; L195-V353 HydrophobicContact CD1-CG2 3.76Å
196	R	27.6	Very low	38.8	Very low	169 Å²	169	116.8 Å²	116.8	64%	0.638	56%	0.564	S	S	*	*			trans	-70.3	59.7	162.5	-80.2	179	162.8	165.3	-7.1	112	F192 D193 K198	F192-R196 PolarHBondContact O-N 3.1Å; D193-R196 IonicContact OD1-CZ 3.66Å; D193-R196 IonicContact OD1-NH1 2.83Å; D193-R196 PolarHBondContact OD1-NH1 3.05Å; R196-K198 PolarHBondContact O-N 2.76Å
197	R	32.6	Very low	39	Very low	210 Å²	210	119 Å²	119	79%	0.792	58%	0.583	S	S	*	*			trans	-51.5	125.8	154.1	-166.7	174.7	-174.8	165.2	4.5	106.4	L195 D199	L195-R197 PolarHBondContact O-N 3.02Å; R197-D199 PolarHBondContact O-N 3.26Å
198	K	31.3	Very low	39.3	Very low	201 Å²	201	116 Å²	116	87%	0.874	58%	0.582	S	S	*	*	S	Bend	trans	-61.1	-12.5	-161.6	-72.1	-179	175.7	176.6	0	115.3	R196 S200	R196-K198 PolarHBondContact O-N 2.76Å; K198-S200 PolarHBondContact O-N 3.3Å
199	D	34	Very low	39.5	Very low	123 Å²	123	120.2 Å²	120.2	66%	0.658	61%	0.609	S	S	*	*	S	Bend	trans	-80.6	104.6	-175.1	-51.6	-55.7	0	0	0	111.1	R197	R197-D199 PolarHBondContact O-N 3.26Å
200	S	32.3	Very low	40.1	Very low	106 Å²	106	119.3 Å²	119.3	74%	0.741	60%	0.604	S	S	*	*			trans	84.9	112.1	-171.6	-37.8	0	0	0	0	114.4	K198	K198-S200 PolarHBondContact O-N 3.3Å
201	R	29.4	Very low	41.4	Very low	225 Å²	225	124.2 Å²	124.2	85%	0.849	63%	0.625	S	S	*	*			trans	-52.9	154.8	144.4	-61.9	174.5	-178.4	169.5	0	108	N203	R201-N203 VanDerWaalsContact C-N 3.29Å; R201-N203 PolarHBondContact O-N 3.4Å
202	P	35.9	Very low	42.5	Very low	101 Å²	101	124.6 Å²	124.6	66%	0.656	63%	0.633	S	S	*	*			trans	-60.9	99.7	161.6	27.3	-32.7	0	0	0	108	R204	P202-R204 PolarHBondContact O-N 2.65Å
203	N	36.4	Very low	43.7	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	66%	0.659	S	S	*	*			trans	-51.9	115.5	147	-88.6	-4.3	0	0	0	104.2	R201 L205	R201-N203 VanDerWaalsContact C-N 3.29Å; R201-N203 PolarHBondContact O-N 3.4Å; N203-L205 PolarHBondContact O-N 3.29Å
204	R	39.8	Very low	45.6	Very low	223 Å²	223	128.5 Å²	128.5	84%	0.842	65%	0.648	S	S	*	*			trans	-48.3	111.3	164.7	-78	177.5	169.2	167	-5.4	105.6	P202 Q206	P202-R204 PolarHBondContact O-N 2.65Å; R204-Q206 PolarHBondContact O-N 3.18Å; R204-Q206 VanDerWaalsContact O-N 3.1Å
205	L	46.3	Very low	47.6	Very low	53 Å²	53	126 Å²	126	28%	0.277	63%	0.627	S	S	.	*			trans	-55	123.1	171.7	-76.4	127.9	0	0	0	105	N203 T207 A419 E420	N203-L205 PolarHBondContact O-N 3.29Å; L205-T207 WeakPolarHBondContact O-CG2 3.08Å; L205-T207 PolarHBondContact O-N 2.89Å; L205-A419 HydrophobicContact CD2-CB 3.78Å; L205-E420 HydrophobicContact CD1-CG 3.89Å
206	Q	43.6	Very low	49.6	Very low	172 Å²	172	122 Å²	122	80%	0.804	61%	0.608	S	S	*	*			trans	-59.4	117	-171.8	-68.3	-175.2	-2.9	0	0	106.6	R204 G208	R204-Q206 PolarHBondContact O-N 3.18Å; R204-Q206 VanDerWaalsContact O-N 3.1Å; Q206-G208 PolarHBondContact O-N 3.27Å
207	T	46.3	Very low	51.6	Low	120 Å²	120	117.8 Å²	117.8	74%	0.736	60%	0.604	S	S	*	*	S	Bend	trans	-74.9	25.2	-166.7	56.5	0	0	0	0	113.4	L205	L205-T207 WeakPolarHBondContact O-CG2 3.08Å; L205-T207 PolarHBondContact O-N 2.89Å
208	G	51.5	Low	53.1	Low	42 Å²	42	109.9 Å²	109.9	43%	0.433	58%	0.579	S	S	.	*	S	Bend	trans	-92.7	-174.9	163.8	0	0	0	0	0	111.1	Q206	Q206-G208 PolarHBondContact O-N 3.27Å
209	P	57.7	Low	54.4	Low	126 Å²	126	105.4 Å²	105.4	82%	0.818	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-66.5	143.9	174.4	28.9	-34.6	0	0	0	111.5
210	L	61.1	Low	55.3	Low	37 Å²	37	103.4 Å²	103.4	19%	0.194	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-53	137.4	167.2	-75.7	165.1	0	0	0	110.7	E214 F215 V418 A419	L210-E214 HydrophobicContact CB-CB 4.35Å; L210-E214 HydrophobicContact CD2-CB 3.63Å; L210-F215 HydrophobicContact CB-CD2 4.21Å; L210-F215 HydrophobicContact CB-CE1 4.37Å; L210-F215 HydrophobicContact CB-CE2 3.58Å; L210-F215 HydrophobicContact CB-CZ 3.67Å; L210-F215 HydrophobicContact CD1-CD1 4.19Å; L210-F215 HydrophobicContact CD1-CE1 3.68Å; L210-F215 HydrophobicContact CD1-CE2 4.39Å; L210-F215 HydrophobicContact CD1-CZ 3.8Å; L210-F215 HydrophobicContact CG-CZ 4.4Å; L210-V418 HydrophobicContact CD1-CG1 4.01Å; L210-A419 HydrophobicContact CD1-CB 4.2Å; L210-A419 HydrophobicContact CD2-CB 3.69Å; L210-A419 HydrophobicContact CG-CB 4.14Å
211	K	74	Confident	57.1	Low	123 Å²	123	100.5 Å²	100.5	54%	0.535	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-73.6	163.5	169.6	-54.4	177	-176.9	176.6	0	110.8	E213 E214 F215	K211-E213 WeakPolarHBondContact CB-OE2 3.33Å; K211-E213 PolarHBondContact O-N 2.76Å; K211-E214 HydrophobicContact CB-CG 4.16Å; K211-E214 WeakPolarHBondContact CG-OE2 3.43Å; K211-E214 PolarHBondContact N-OE2 3.13Å; K211-E214 WeakPolarHBondContact O-CA 3.47Å; K211-E214 WeakPolarHBondContact O-CB 3.24Å; K211-E214 PolarHBondContact O-N 2.73Å; K211-F215 WeakPolarHBondContact O-CD2 3.41Å
212	A	65.3	Low	59.5	Low	87 Å²	87	91.8 Å²	91.8	72%	0.719	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35.4	-178.4	0	0	0	0	0	112.8	E214	A212-E214 PolarHBondContact O-N 2.92Å
213	E	70.6	Confident	62.1	Low	142 Å²	142	87.1 Å²	87.1	66%	0.664	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-78.3	-9.1	178.7	-39.3	76.6	-169.9	0	0	112.7	K211	K211-E213 WeakPolarHBondContact CB-OE2 3.33Å; K211-E213 PolarHBondContact O-N 2.76Å
214	E	73.5	Confident	64.7	Low	74 Å²	74	80.2 Å²	80.2	35%	0.346	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-98.3	0.2	179	-58.4	-177.8	121.5	0	0	113.4	L210 K211 A212 N422 R426	L210-E214 HydrophobicContact CB-CB 4.35Å; L210-E214 HydrophobicContact CD2-CB 3.63Å; K211-E214 HydrophobicContact CB-CG 4.16Å; K211-E214 WeakPolarHBondContact CG-OE2 3.43Å; K211-E214 PolarHBondContact N-OE2 3.13Å; K211-E214 WeakPolarHBondContact O-CA 3.47Å; K211-E214 WeakPolarHBondContact O-CB 3.24Å; K211-E214 PolarHBondContact O-N 2.73Å; A212-E214 PolarHBondContact O-N 2.92Å; E214-N422 WeakPolarHBondContact O-CB 3.31Å; E214-R426 VanDerWaalsContact O-CZ 3.22Å; E214-R426 PolarHBondContact O-NH1 2.88Å; E214-R426 PolarHBondContact O-NH2 2.93Å
215	F	76.2	Confident	67.3	Low	73 Å²	73	69.6 Å²	69.6	32%	0.32	43%	0.434	S	S	.	.	S	Bend	trans	-85.4	150.6	162.6	-71.3	-81	0	0	0	111.1	L210 K211 V273 N422	L210-F215 HydrophobicContact CB-CD2 4.21Å; L210-F215 HydrophobicContact CB-CE1 4.37Å; L210-F215 HydrophobicContact CB-CE2 3.58Å; L210-F215 HydrophobicContact CB-CZ 3.67Å; L210-F215 HydrophobicContact CD1-CD1 4.19Å; L210-F215 HydrophobicContact CD1-CE1 3.68Å; L210-F215 HydrophobicContact CD1-CE2 4.39Å; L210-F215 HydrophobicContact CD1-CZ 3.8Å; L210-F215 HydrophobicContact CG-CZ 4.4Å; K211-F215 WeakPolarHBondContact O-CD2 3.41Å; F215-V273 HydrophobicContact CD1-CB 4.46Å; F215-V273 HydrophobicContact CD1-CG1 3.95Å; F215-V273 HydrophobicContact CE1-CB 4.02Å; F215-V273 HydrophobicContact CE1-CG1 3.84Å; F215-N422 VanDerWaalsContact CA-OD1 3.31Å; F215-N422 WeakPolarHBondContact CA-OD1 3.19Å
216	A	76.7	Confident	69.5	Low	10 Å²	10	67.4 Å²	67.4	8%	0.083	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-78.1	125.3	168.7	0	0	0	0	0	110	T218 P274 N422 L425 R426	A216-T218 PolarHBondContact O-N 3.44Å; A216-P274 HydrophobicContact CB-CG 4.49Å; A216-N422 PolarHBondContact N-OD1 3.22Å; A216-L425 HydrophobicContact CB-CB 3.52Å; A216-L425 HydrophobicContact CB-CD1 4.14Å; A216-L425 HydrophobicContact CB-CG 4.49Å; A216-R426 HydrophobicContact CB-CG 4.07Å
217	S	69.4	Low	71.9	Confident	80 Å²	80	59.2 Å²	59.2	56%	0.559	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-65.4	129.4	170.5	-179.8	0	0	0	0	109.7	S219	S217-S219 PolarHBondContact OG-N 3.04Å; S217-S219 VanDerWaalsContact OG-N 3.08Å; S217-S219 PolarHBondContact OG-OG 3.04Å; S217-S219 VanDerWaalsContact OG-OG 3.06Å
218	T	64.2	Low	74.2	Confident	43 Å²	43	53.5 Å²	53.5	26%	0.264	35%	0.349	S	S	.	.			trans	-91.4	-2.6	167	75.2	0	0	0	0	112.5	A216 G220 G221 L223 P274	A216-T218 PolarHBondContact O-N 3.44Å; T218-G220 PolarHBondContact O-N 2.9Å; T218-G221 VanDerWaalsContact CB-O 3.27Å; T218-G221 WeakPolarHBondContact CB-O 3.48Å; T218-G221 PolarHBondContact O-N 3.3Å; T218-G221 PolarHBondContact OG1-O 3.03Å; T218-L223 HydrophobicContact CG2-CD1 4.02Å; T218-L223 HydrophobicContact CG2-CG 3.95Å; T218-P274 HydrophobicContact CG2-CB 3.69Å; T218-P274 HydrophobicContact CG2-CG 4.31Å
219	S	57.2	Low	76.2	Confident	107 Å²	107	51.5 Å²	51.5	75%	0.748	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	27.3	176	-57.3	0	0	0	0	115.1	S217	S217-S219 PolarHBondContact OG-N 3.04Å; S217-S219 VanDerWaalsContact OG-N 3.08Å; S217-S219 PolarHBondContact OG-OG 3.04Å; S217-S219 VanDerWaalsContact OG-OG 3.06Å
220	G	54.8	Low	78	Confident	82 Å²	82	45.5 Å²	45.5	85%	0.845	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	-17.5	-178.3	0	0	0	0	0	115.1	T218	T218-G220 PolarHBondContact O-N 2.9Å
221	G	68.7	Low	79.6	Confident	44 Å²	44	43.8 Å²	43.8	45%	0.454	28%	0.281	S	S	.	.	S	Bend	trans	-79.4	163.4	176.1	0	0	0	0	0	113.9	T218	T218-G221 VanDerWaalsContact CB-O 3.27Å; T218-G221 WeakPolarHBondContact CB-O 3.48Å; T218-G221 PolarHBondContact O-N 3.3Å; T218-G221 PolarHBondContact OG1-O 3.03Å
222	S	79.9	Confident	80.6	Confident	43 Å²	43	38.7 Å²	38.7	30%	0.301	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-84.1	139	162.1	-175.1	0	0	0	0	109.3
223	L	90	Very high	82	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.8	165.3	-67.3	175.3	0	0	0	110	T218 P274 L276 R277 L425 L438 M439	T218-L223 HydrophobicContact CG2-CD1 4.02Å; T218-L223 HydrophobicContact CG2-CG 3.95Å; L223-P274 HydrophobicContact CD1-CB 3.91Å; L223-P274 HydrophobicContact CD1-CG 3.53Å; L223-L276 HydrophobicContact CB-CD2 3.52Å; L223-L276 HydrophobicContact CD1-CD2 3.48Å; L223-L276 VanDerWaalsContact CD1-CD2 3.48Å; L223-L276 HydrophobicContact CG-CD2 4.15Å; L223-R277 PolarHBondContact O-N 2.94Å; L223-L425 HydrophobicContact CD1-CD1 3.83Å; L223-L425 HydrophobicContact CD1-CD2 4.15Å; L223-L438 CarbonylContact C-O 3.47Å; L223-L438 WeakPolarHBondContact CA-O 3.45Å; L223-L438 HydrophobicContact CD2-CB 4.31Å; L223-L438 VanDerWaalsContact CD2-O 3.29Å; L223-L438 WeakPolarHBondContact CD2-O 3.36Å; L223-M439 HydrophobicContact CD2-CE 3.78Å; L223-M439 HydrophobicContact CD2-CG 3.71Å
224	V	91.3	Very high	83	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157	-179.4	-168.3	0	0	0	0	109.6	E226 R277 Q279 L438	V224-E226 HydrophobicContact CG1-CG 4.19Å; V224-R277 CarbonylContact C-O 3.35Å; V224-R277 VanDerWaalsContact C-O 3.31Å; V224-R277 WeakPolarHBondContact CA-O 3.28Å; V224-Q279 HydrophobicContact CG1-CB 4.13Å; V224-Q279 HydrophobicContact CG1-CG 3.84Å; V224-L438 PolarHBondContact N-O 3.41Å; V224-L438 VanDerWaalsContact O-CA 3.23Å; V224-L438 WeakPolarHBondContact O-CA 3.48Å; V224-L438 WeakPolarHBondContact O-CB 3.25Å; V224-L438 WeakPolarHBondContact O-CD2 3.35Å
225	I	94.3	Very high	83.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	100.5	162	-51.6	174.3	0	0	0	106.6	T227 L276 R277 Q279 D329 H330 M356 M381 L385 L438	I225-T227 PolarHBondContact O-N 2.95Å; I225-T227 PolarHBondContact O-OG1 2.76Å; I225-L276 HydrophobicContact CD1-CB 4.19Å; I225-L276 HydrophobicContact CD1-CD1 3.94Å; I225-L276 HydrophobicContact CG1-CB 4.39Å; I225-R277 PolarHBondContact N-O 3.22Å; I225-Q279 PolarHBondContact O-N 3.01Å; I225-D329 WeakPolarHBondContact CA-OD2 3.3Å; I225-D329 HydrophobicContact CG2-CB 4.41Å; I225-H330 HydrophobicContact CG2-CB 3.85Å; I225-M356 HydrophobicContact CD1-CE 4.22Å; I225-M356 HydrophobicContact CG2-CE 3.97Å; I225-M356 HydrophobicContact CG2-SD 3.89Å; I225-M381 HydrophobicContact CD1-CE 3.52Å; I225-M381 HydrophobicContact CG2-CE 4.14Å; I225-L385 HydrophobicContact CD1-CD1 4.46Å; I225-L438 HydrophobicContact CG1-CD2 4.26Å
226	E	92.9	Very high	84.6	Confident	6 Å²	6	27.3 Å²	27.3	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117	174.3	-57.7	-150	142.3	0	0	109.5	V224 K281 W328 D329 H330	V224-E226 HydrophobicContact CG1-CG 4.19Å; E226-K281 HydrophobicContact CB-CG 3.97Å; E226-K281 WeakPolarHBondContact OE1-CE 3.09Å; E226-K281 IonicContact OE1-NZ 3.75Å; E226-K281 PolarHBondContact OE1-NZ 3.25Å; E226-K281 WeakPolarHBondContact OE2-CE 3.48Å; E226-K281 IonicContact OE2-NZ 2.72Å; E226-K281 PolarHBondContact OE2-NZ 2.85Å; E226-W328 CarbonylContact O-C 2.92Å; E226-D329 HydrophobicContact CB-CB 4.34Å; E226-D329 PolarHBondContact N-OD2 3.28Å; E226-D329 WeakPolarHBondContact O-CA 3.22Å; E226-D329 WeakPolarHBondContact O-CB 3.46Å; E226-D329 PolarHBondContact O-N 2.81Å; E226-H330 PolarHBondContact O-N 3.37Å
227	T	94.6	Very high	85.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.8	-162	-49.8	0	0	0	0	112	I225 L229 M278 Q279 I280 K281 H330 I332	I225-T227 PolarHBondContact O-N 2.95Å; I225-T227 PolarHBondContact O-OG1 2.76Å; T227-L229 HydrophobicContact CG2-CD2 3.63Å; T227-L229 HydrophobicContact CG2-CG 4.49Å; T227-M278 HydrophobicContact CG2-CE 3.88Å; T227-Q279 WeakPolarHBondContact CA-O 3.5Å; T227-Q279 VanDerWaalsContact CB-O 3.3Å; T227-Q279 WeakPolarHBondContact CB-O 3.36Å; T227-Q279 PolarHBondContact N-O 3.12Å; T227-Q279 PolarHBondContact OG1-O 2.88Å; T227-I280 WeakPolarHBondContact O-CA 3.41Å; T227-K281 PolarHBondContact O-N 2.87Å; T227-H330 CarbonylContact C-O 3.54Å; T227-H330 WeakPolarHBondContact CA-O 2.99Å; T227-I332 HydrophobicContact CG2-CD1 3.61Å; T227-I332 HydrophobicContact CG2-CG1 3.78Å
228	A	94.2	Very high	85.8	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.1	167.2	0	0	0	0	0	111.7	F230 K282 W328 H330 A331 I332	A228-F230 HydrophobicContact CB-CD2 4.41Å; A228-F230 HydrophobicContact CB-CE2 3.69Å; A228-F230 HydrophobicContact CB-CZ 4.36Å; A228-K282 HydrophobicContact CB-CB 3.86Å; A228-K282 HydrophobicContact CB-CD 4.24Å; A228-K282 HydrophobicContact CB-CG 4.3Å; A228-W328 HydrophobicContact CB-CB 4.03Å; A228-W328 HydrophobicContact CB-CD2 3.41Å; A228-W328 VanDerWaalsContact CB-CD2 3.41Å; A228-W328 HydrophobicContact CB-CE3 3.99Å; A228-W328 HydrophobicContact CB-CG 3.44Å; A228-W328 VanDerWaalsContact CB-CG 3.44Å; A228-W328 HydrophobicContact CB-CZ2 4.21Å; A228-H330 PolarHBondContact N-O 2.98Å; A228-A331 CarbonylContact O-C 3.59Å; A228-A331 WeakPolarHBondContact O-CA 3.35Å; A228-I332 PolarHBondContact O-N 3.25Å
229	L	94.6	Very high	86.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.1	-175.2	-53.2	178	0	0	0	109.8	T227 V256 V260 I280 K282 Y283 E284 I332 F334	T227-L229 HydrophobicContact CG2-CD2 3.63Å; T227-L229 HydrophobicContact CG2-CG 4.49Å; L229-V256 HydrophobicContact CB-CG1 4.24Å; L229-V256 HydrophobicContact CD1-CG1 3.7Å; L229-V260 HydrophobicContact CD1-CB 4.45Å; L229-V260 HydrophobicContact CD1-CG2 3.8Å; L229-V260 HydrophobicContact CD2-CG2 3.69Å; L229-V260 HydrophobicContact CG-CG2 4.42Å; L229-I280 HydrophobicContact CD1-CB 4.44Å; L229-I280 HydrophobicContact CD1-CD1 3.82Å; L229-I280 HydrophobicContact CD1-CG1 3.92Å; L229-I280 HydrophobicContact CD1-CG2 3.67Å; L229-I280 HydrophobicContact CG-CG2 4.13Å; L229-K282 PolarHBondContact N-O 2.84Å; L229-Y283 HydrophobicContact CB-CD2 4.22Å; L229-Y283 CarbonylContact O-C 3.31Å; L229-Y283 WeakPolarHBondContact O-CA 3.42Å; L229-E284 PolarHBondContact O-N 2.92Å; L229-I332 HydrophobicContact CD2-CB 4.04Å; L229-I332 HydrophobicContact CD2-CD1 3.9Å; L229-I332 HydrophobicContact CD2-CG1 4.14Å; L229-F334 HydrophobicContact CD2-CE2 4.43Å
230	F	95.4	Very high	87.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.5	178.1	-64.5	-91	0	0	0	109.9	A228 K282 E284 F310 F313 Q314 W328 A331 I332 L333 F334	A228-F230 HydrophobicContact CB-CD2 4.41Å; A228-F230 HydrophobicContact CB-CE2 3.69Å; A228-F230 HydrophobicContact CB-CZ 4.36Å; F230-K282 HydrophobicContact CZ-CD 4.21Å; F230-E284 WeakPolarHBondContact CA-O 3.43Å; F230-E284 HydrophobicContact CD1-CB 4.02Å; F230-E284 HydrophobicContact CE1-CB 4.19Å; F230-F310 HydrophobicContact CB-CE2 3.91Å; F230-F310 HydrophobicContact CB-CZ 4.31Å; F230-F310 AromaticContact CD2-CE2 3.66Å; F230-F310 HydrophobicContact CD2-CE2 3.66Å; F230-F310 AromaticContact CD2-CZ 3.69Å; F230-F310 HydrophobicContact CD2-CZ 3.69Å; F230-F310 HydrophobicContact CE2-CE2 4.34Å; F230-F310 HydrophobicContact CE2-CZ 4.38Å; F230-F310 AromaticContact CG-CE2 3.86Å; F230-F310 HydrophobicContact CG-CE2 3.86Å; F230-F310 HydrophobicContact CG-CZ 4.27Å; F230-F313 HydrophobicContact CD1-CE1 4.06Å; F230-F313 HydrophobicContact CE1-CE1 4.04Å; F230-Q314 HydrophobicContact CE2-CB 4.01Å; F230-Q314 HydrophobicContact CZ-CB 4.3Å; F230-W328 HydrophobicContact CE2-CZ2 4.3Å; F230-W328 HydrophobicContact CZ-CH2 4.33Å; F230-W328 HydrophobicContact CZ-CZ2 4Å; F230-A331 HydrophobicContact CD2-CB 4.46Å; F230-A331 HydrophobicContact CE2-CB 4.2Å; F230-I332 PolarHBondContact N-O 2.95Å; F230-L333 HydrophobicContact CB-CD1 3.96Å; F230-L333 WeakPolarHBondContact O-CA 3.45Å; F230-F334 PolarHBondContact O-N 3.39Å
231	V	94.5	Very high	89	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.4	173.4	-172.9	0	0	0	0	109.3	T235 L252 V256 Y283 E284 V285 L286 F334	V231-T235 HydrophobicContact CG1-CG2 3.7Å; V231-L252 HydrophobicContact CB-CD2 4.25Å; V231-L252 HydrophobicContact CG1-CD1 3.97Å; V231-L252 HydrophobicContact CG1-CD2 3.85Å; V231-L252 HydrophobicContact CG1-CG 4.41Å; V231-L252 HydrophobicContact CG2-CD1 4.34Å; V231-L252 HydrophobicContact CG2-CD2 4.3Å; V231-L252 HydrophobicContact CG2-CG 4.42Å; V231-V256 HydrophobicContact CG2-CG2 3.88Å; V231-Y283 HydrophobicContact CG2-CE2 4.03Å; V231-E284 PolarHBondContact N-O 2.83Å; V231-V285 HydrophobicContact CB-CG1 4.47Å; V231-V285 HydrophobicContact CB-CG2 4.47Å; V231-L286 WeakPolarHBondContact O-CB 3.16Å; V231-L286 PolarHBondContact O-N 2.7Å; V231-F334 HydrophobicContact CG1-CB 4.33Å; V231-F334 HydrophobicContact CG2-CB 4.2Å
232	D	94.9	Very high	89.2	Confident	17 Å²	17	34.4 Å²	34.4	9%	0.091	16%	0.164	C	C	.	.			trans	-77	166.2	178.9	76.1	2.4	0	0	0	114.3	R234 T235 W236 L333 F334 T335 G336 H337	D232-R234 PolarHBondContact O-N 3.47Å; D232-R234 PolarHBondContact OD1-N 2.75Å; D232-T235 PolarHBondContact O-N 2.83Å; D232-T235 WeakPolarHBondContact OD1-CB 3.18Å; D232-T235 PolarHBondContact OD1-N 3.39Å; D232-T235 PolarHBondContact OD1-OG1 2.82Å; D232-W236 PolarHBondContact O-N 2.82Å; D232-W236 VanDerWaalsContact O-N 3.11Å; D232-L333 HydrophobicContact CB-CD1 4.46Å; D232-F334 PolarHBondContact N-O 3.4Å; D232-F334 VanDerWaalsContact N-O 3.09Å; D232-T335 VanDerWaalsContact OD2-CA 3.23Å; D232-T335 WeakPolarHBondContact OD2-CA 3.41Å; D232-T335 WeakPolarHBondContact OD2-CB 3.33Å; D232-T335 PolarHBondContact OD2-OG1 3.47Å; D232-G336 VanDerWaalsContact CG-N 3.26Å; D232-G336 PolarHBondContact OD1-N 2.89Å; D232-G336 PolarHBondContact OD2-N 2.99Å; D232-H337 IonicContact OD2-CD2 3.29Å; D232-H337 PolarHBondContact OD2-CD2 2.85Å
233	A	93.8	Very high	89	Confident	5 Å²	5	35.2 Å²	35.2	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-29.4	177.3	0	0	0	0	0	112.7	Q237 L286	A233-Q237 WeakPolarHBondContact O-CB 3.23Å; A233-Q237 WeakPolarHBondContact O-CG 3.29Å; A233-Q237 PolarHBondContact O-N 2.65Å; A233-L286 WeakPolarHBondContact CA-O 3.24Å; A233-L286 WeakPolarHBondContact CB-O 3.22Å; A233-L286 PolarHBondContact N-O 3.16Å
234	R	92	Very high	88.3	Confident	101 Å²	101	36.6 Å²	36.6	38%	0.381	18%	0.176	S	C	.	.	H	α-helix	trans	-79.7	-38.2	-172.2	-167.6	170.4	166	134.3	-5.1	112	D232 R238 G336 H337	D232-R234 PolarHBondContact O-N 3.47Å; D232-R234 PolarHBondContact OD1-N 2.75Å; R234-R238 PolarHBondContact O-N 2.92Å; R234-R238 VanDerWaalsContact O-N 3.12Å; R234-G336 VanDerWaalsContact CD-C 3.43Å; R234-G336 WeakPolarHBondContact CD-O 3.36Å; R234-G336 WeakPolarHBondContact CG-O 3.39Å; R234-G336 PolarHBondContact NE-O 3.03Å; R234-H337 WeakPolarHBondContact CD-NE2 3.43Å
235	T	91	Very high	87.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-47.3	168	-49.4	0	0	0	0	109.9	V231 D232 Q237 R238 F239 L252 F334 G336	V231-T235 HydrophobicContact CG1-CG2 3.7Å; D232-T235 PolarHBondContact O-N 2.83Å; D232-T235 WeakPolarHBondContact OD1-CB 3.18Å; D232-T235 PolarHBondContact OD1-N 3.39Å; D232-T235 PolarHBondContact OD1-OG1 2.82Å; T235-Q237 VanDerWaalsContact C-N 3.32Å; T235-Q237 PolarHBondContact O-N 3.23Å; T235-R238 WeakPolarHBondContact O-CA 3.09Å; T235-R238 WeakPolarHBondContact O-CB 3.29Å; T235-R238 PolarHBondContact O-N 3.35Å; T235-F239 HydrophobicContact CG2-CD2 4.31Å; T235-F239 HydrophobicContact CG2-CE2 4.28Å; T235-F239 WeakPolarHBondContact O-CD2 3.42Å; T235-F239 PolarHBondContact O-N 2.82Å; T235-L252 HydrophobicContact CG2-CD1 4.14Å; T235-F334 PolarHBondContact OG1-O 2.82Å; T235-G336 WeakPolarHBondContact OG1-CA 3.2Å; T235-G336 PolarHBondContact OG1-N 3.45Å
236	W	91.1	Very high	87	Confident	31 Å²	31	53.4 Å²	53.4	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-45	176.5	179.6	74.5	0	0	0	111.9	D232 R238 F239 V240 D249 L252 V285 K287	D232-W236 PolarHBondContact O-N 2.82Å; D232-W236 VanDerWaalsContact O-N 3.11Å; W236-R238 VanDerWaalsContact C-N 3.32Å; W236-R238 PolarHBondContact O-N 2.96Å; W236-F239 PolarHBondContact O-N 3.45Å; W236-F239 VanDerWaalsContact O-N 3.09Å; W236-V240 HydrophobicContact CD2-CG2 3.89Å; W236-V240 HydrophobicContact CE3-CG2 4.15Å; W236-V240 HydrophobicContact CH2-CG2 3.81Å; W236-V240 HydrophobicContact CZ2-CG2 3.54Å; W236-V240 HydrophobicContact CZ3-CG2 4.11Å; W236-V240 WeakPolarHBondContact O-CG2 3.42Å; W236-V240 PolarHBondContact O-N 3.31Å; W236-D249 PolarHBondContact NE1-OD1 3.11Å; W236-L252 HydrophobicContact CB-CD2 4.46Å; W236-V285 HydrophobicContact CB-CG1 3.86Å; W236-V285 HydrophobicContact CG-CG1 3.82Å; W236-K287 HydrophobicContact CD2-CB 4.45Å; W236-K287 HydrophobicContact CD2-CD 4.32Å; W236-K287 HydrophobicContact CD2-CG 3.94Å; W236-K287 HydrophobicContact CE3-CB 4.41Å; W236-K287 HydrophobicContact CE3-CG 4.38Å; W236-K287 HydrophobicContact CG-CG 4.21Å; W236-K287 HydrophobicContact CH2-CD 4.44Å; W236-K287 HydrophobicContact CZ2-CD 3.86Å; W236-K287 HydrophobicContact CZ2-CG 4.38Å
237	Q	90.1	Very high	86.2	Confident	92 Å²	92	55.9 Å²	55.9	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-32.8	174.1	-76.7	171.5	25.8	0	0	113.7	A233 T235 V240 K241	A233-Q237 WeakPolarHBondContact O-CB 3.23Å; A233-Q237 WeakPolarHBondContact O-CG 3.29Å; A233-Q237 PolarHBondContact O-N 2.65Å; T235-Q237 VanDerWaalsContact C-N 3.32Å; T235-Q237 PolarHBondContact O-N 3.23Å; Q237-V240 PolarHBondContact O-N 2.82Å; Q237-K241 VanDerWaalsContact O-CG 3.29Å; Q237-K241 WeakPolarHBondContact O-CG 3.41Å; Q237-K241 PolarHBondContact O-N 2.75Å
238	R	83	Confident	85.4	Confident	95 Å²	95	55.9 Å²	55.9	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-45.4	170.9	-75	172.3	167.1	158.5	-3.7	110.4	R234 T235 W236 K241 V242 G336	R234-R238 PolarHBondContact O-N 2.92Å; R234-R238 VanDerWaalsContact O-N 3.12Å; T235-R238 WeakPolarHBondContact O-CA 3.09Å; T235-R238 WeakPolarHBondContact O-CB 3.29Å; T235-R238 PolarHBondContact O-N 3.35Å; W236-R238 VanDerWaalsContact C-N 3.32Å; W236-R238 PolarHBondContact O-N 2.96Å; R238-K241 PolarHBondContact O-N 3Å; R238-V242 WeakPolarHBondContact O-CG2 3.21Å; R238-V242 PolarHBondContact O-N 3.15Å; R238-V242 VanDerWaalsContact O-N 3.16Å; R238-G336 VanDerWaalsContact CZ-O 3.23Å; R238-G336 VanDerWaalsContact NH1-CA 3.26Å; R238-G336 PolarHBondContact NH1-O 3.14Å; R238-G336 PolarHBondContact NH2-O 2.84Å
239	F	81.8	Confident	84.8	Confident	17 Å²	17	58.2 Å²	58.2	8%	0.075	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-38	176.1	-84	-106.4	0	0	0	112.9	T235 W236 K241 V242 Y243 A248 E251 L252 F255	T235-F239 HydrophobicContact CG2-CD2 4.31Å; T235-F239 HydrophobicContact CG2-CE2 4.28Å; T235-F239 WeakPolarHBondContact O-CD2 3.42Å; T235-F239 PolarHBondContact O-N 2.82Å; W236-F239 PolarHBondContact O-N 3.45Å; W236-F239 VanDerWaalsContact O-N 3.09Å; F239-K241 VanDerWaalsContact C-N 3.34Å; F239-K241 PolarHBondContact O-N 3.15Å; F239-V242 PolarHBondContact O-N 3.41Å; F239-Y243 HydrophobicContact CB-CD2 4.27Å; F239-Y243 AromaticContact CD1-CD2 3.59Å; F239-Y243 HydrophobicContact CD1-CD2 3.59Å; F239-Y243 AromaticContact CD1-CE2 3.44Å; F239-Y243 HydrophobicContact CD1-CE2 3.44Å; F239-Y243 VanDerWaalsContact CD1-CE2 3.44Å; F239-Y243 HydrophobicContact CE1-CD2 4.26Å; F239-Y243 AromaticContact CE1-CE2 3.63Å; F239-Y243 HydrophobicContact CE1-CE2 3.63Å; F239-Y243 HydrophobicContact CG-CD2 4.21Å; F239-Y243 HydrophobicContact CG-CE2 4.25Å; F239-Y243 WeakPolarHBondContact O-CB 3.23Å; F239-Y243 WeakPolarHBondContact O-CD2 3.21Å; F239-Y243 PolarHBondContact O-N 2.89Å; F239-A248 HydrophobicContact CB-CB 4.24Å; F239-E251 HydrophobicContact CD1-CB 4.16Å; F239-E251 HydrophobicContact CE1-CB 4.39Å; F239-E251 WeakPolarHBondContact CE1-O 3.46Å; F239-L252 HydrophobicContact CB-CB 4.44Å; F239-L252 HydrophobicContact CD1-CB 3.78Å; F239-L252 HydrophobicContact CD1-CD1 4.34Å; F239-L252 HydrophobicContact CD2-CD1 3.81Å; F239-L252 HydrophobicContact CE1-CB 4.19Å; F239-L252 HydrophobicContact CE1-CD1 4.33Å; F239-L252 HydrophobicContact CE2-CD1 3.79Å; F239-L252 HydrophobicContact CG-CB 4.01Å; F239-L252 HydrophobicContact CG-CD1 4.1Å; F239-L252 HydrophobicContact CZ-CD1 4.07Å; F239-F255 HydrophobicContact CE1-CB 3.89Å; F239-F255 HydrophobicContact CE1-CG 4.35Å; F239-F255 HydrophobicContact CE2-CD1 4.33Å; F239-F255 HydrophobicContact CZ-CB 3.69Å; F239-F255 AromaticContact CZ-CD1 3.81Å; F239-F255 HydrophobicContact CZ-CD1 3.81Å; F239-F255 HydrophobicContact CZ-CD2 4.21Å; F239-F255 AromaticContact CZ-CG 3.64Å; F239-F255 HydrophobicContact CZ-CG 3.64Å
240	V	83.3	Confident	84	Confident	38 Å²	38	61.2 Å²	61.2	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-41.3	172.4	173.3	0	0	0	0	111.8	W236 Q237 V242 G244 E245 A248	W236-V240 HydrophobicContact CD2-CG2 3.89Å; W236-V240 HydrophobicContact CE3-CG2 4.15Å; W236-V240 HydrophobicContact CH2-CG2 3.81Å; W236-V240 HydrophobicContact CZ2-CG2 3.54Å; W236-V240 HydrophobicContact CZ3-CG2 4.11Å; W236-V240 WeakPolarHBondContact O-CG2 3.42Å; W236-V240 PolarHBondContact O-N 3.31Å; Q237-V240 PolarHBondContact O-N 2.82Å; V240-V242 PolarHBondContact O-N 2.86Å; V240-G244 WeakPolarHBondContact O-CA 3.43Å; V240-G244 PolarHBondContact O-N 3.35Å; V240-E245 HydrophobicContact CG1-CB 4.26Å; V240-A248 HydrophobicContact CB-CB 4.29Å; V240-A248 HydrophobicContact CG2-CB 3.56Å
241	K	78.4	Confident	83.2	Confident	171 Å²	171	63.1 Å²	63.1	74%	0.743	30%	0.304	S	S	*	.	H	α-helix	trans	-66.9	-33.1	177.7	-72.6	168.8	-177	178.7	0	113.5	Q237 R238 F239	Q237-K241 VanDerWaalsContact O-CG 3.29Å; Q237-K241 WeakPolarHBondContact O-CG 3.41Å; Q237-K241 PolarHBondContact O-N 2.75Å; R238-K241 PolarHBondContact O-N 3Å; F239-K241 VanDerWaalsContact C-N 3.34Å; F239-K241 PolarHBondContact O-N 3.15Å
242	V	72.6	Confident	82.6	Confident	102 Å²	102	63.1 Å²	63.1	62%	0.618	30%	0.304	S	S	*	.	H	α-helix	trans	-88.8	-40.9	-176.8	175.3	0	0	0	0	112.8	R238 F239 V240	R238-V242 WeakPolarHBondContact O-CG2 3.21Å; R238-V242 PolarHBondContact O-N 3.15Å; R238-V242 VanDerWaalsContact O-N 3.16Å; F239-V242 PolarHBondContact O-N 3.41Å; V240-V242 PolarHBondContact O-N 2.86Å
243	Y	74.6	Confident	82	Confident	59 Å²	59	62.7 Å²	62.7	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-110.9	-10.9	-171.1	-58.6	-75.1	0	0	0	114.1	P153 F239 E251	P153-Y243 HydrophobicContact CG-CD1 4.37Å; P153-Y243 HydrophobicContact CG-CE1 4.45Å; F239-Y243 HydrophobicContact CB-CD2 4.27Å; F239-Y243 AromaticContact CD1-CD2 3.59Å; F239-Y243 HydrophobicContact CD1-CD2 3.59Å; F239-Y243 AromaticContact CD1-CE2 3.44Å; F239-Y243 HydrophobicContact CD1-CE2 3.44Å; F239-Y243 VanDerWaalsContact CD1-CE2 3.44Å; F239-Y243 HydrophobicContact CE1-CD2 4.26Å; F239-Y243 AromaticContact CE1-CE2 3.63Å; F239-Y243 HydrophobicContact CE1-CE2 3.63Å; F239-Y243 HydrophobicContact CG-CD2 4.21Å; F239-Y243 HydrophobicContact CG-CE2 4.25Å; F239-Y243 WeakPolarHBondContact O-CB 3.23Å; F239-Y243 WeakPolarHBondContact O-CD2 3.21Å; F239-Y243 PolarHBondContact O-N 2.89Å; Y243-E251 HydrophobicContact CD1-CB 4.1Å; Y243-E251 HydrophobicContact CD1-CG 3.7Å; Y243-E251 HydrophobicContact CD2-CB 3.79Å; Y243-E251 HydrophobicContact CD2-CG 4.31Å; Y243-E251 HydrophobicContact CE1-CB 4.22Å; Y243-E251 HydrophobicContact CE1-CG 3.97Å; Y243-E251 HydrophobicContact CE2-CB 3.94Å; Y243-E251 HydrophobicContact CG-CB 3.87Å; Y243-E251 HydrophobicContact CG-CG 3.87Å
244	G	75.3	Confident	81.4	Confident	33 Å²	33	62.7 Å²	62.7	34%	0.34	30%	0.301	S	S	.	.			trans	79.9	150.4	-172.5	0	0	0	0	0	112.7	V240 K246 S247 A248	V240-G244 WeakPolarHBondContact O-CA 3.43Å; V240-G244 PolarHBondContact O-N 3.35Å; G244-K246 PolarHBondContact O-N 2.9Å; G244-K246 VanDerWaalsContact O-N 3.12Å; G244-S247 PolarHBondContact O-N 2.91Å; G244-A248 PolarHBondContact O-N 3Å
245	E	82.6	Confident	80.8	Confident	141 Å²	141	58.1 Å²	58.1	66%	0.659	28%	0.284	S	S	*	.	H	α-helix	trans	-53.4	-37.5	-173.4	-171.8	174.6	-155.7	0	0	113.8	V240 S247	V240-E245 HydrophobicContact CG1-CB 4.26Å; E245-S247 VanDerWaalsContact C-N 3.27Å; E245-S247 PolarHBondContact O-N 3.32Å
246	K	76.7	Confident	80.6	Confident	212 Å²	212	58.1 Å²	58.1	92%	0.922	28%	0.284	S	S	*	.	H	α-helix	trans	-69.1	-16.2	179.5	-65.3	-174.1	177.8	-177.4	0	115.2	G244	G244-K246 PolarHBondContact O-N 2.9Å; G244-K246 VanDerWaalsContact O-N 3.12Å
247	S	75.7	Confident	80.3	Confident	58 Å²	58	56.7 Å²	56.7	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-123.8	-13.1	-176.5	-57.7	0	0	0	0	113.4	G244 E245 D249 K250 E251	G244-S247 PolarHBondContact O-N 2.91Å; E245-S247 VanDerWaalsContact C-N 3.27Å; E245-S247 PolarHBondContact O-N 3.32Å; S247-D249 VanDerWaalsContact C-N 3.34Å; S247-D249 PolarHBondContact O-N 2.79Å; S247-K250 PolarHBondContact O-N 2.74Å; S247-E251 PolarHBondContact O-N 3.28Å
248	A	78.2	Confident	79.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-52.7	-47.9	-177.2	0	0	0	0	0	112.8	F239 V240 G244 K250 E251 L252	F239-A248 HydrophobicContact CB-CB 4.24Å; V240-A248 HydrophobicContact CB-CB 4.29Å; V240-A248 HydrophobicContact CG2-CB 3.56Å; G244-A248 PolarHBondContact O-N 3Å; A248-K250 PolarHBondContact O-N 2.82Å; A248-E251 PolarHBondContact O-N 2.86Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 3.24Å
249	D	82.1	Confident	80	Confident	50 Å²	50	47.8 Å²	47.8	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-40	-177.8	-60	-40.3	0	0	0	112.5	W236 S247 L253 K287	W236-D249 PolarHBondContact NE1-OD1 3.11Å; S247-D249 VanDerWaalsContact C-N 3.34Å; S247-D249 PolarHBondContact O-N 2.79Å; D249-L253 WeakPolarHBondContact O-CB 3.43Å; D249-L253 PolarHBondContact O-N 3.08Å; D249-K287 WeakPolarHBondContact OD1-CE 3.41Å; D249-K287 IonicContact OD1-NZ 2.68Å; D249-K287 PolarHBondContact OD1-NZ 3.37Å; D249-K287 IonicContact OD2-NZ 2.65Å; D249-K287 PolarHBondContact OD2-NZ 2.89Å
250	K	78	Confident	80.5	Confident	64 Å²	64	47 Å²	47	28%	0.278	24%	0.238	S	C	.	.	H	α-helix	trans	-69.6	-44.4	179.4	-174.6	174.1	-169.8	161.2	0	111.9	F104 D107 F108 S247 A248 L252 S254	F104-K250 HydrophobicContact CB-CG 4.38Å; F104-K250 HydrophobicContact CD1-CD 3.57Å; F104-K250 HydrophobicContact CD1-CG 4.02Å; F104-K250 HydrophobicContact CD2-CB 4.06Å; F104-K250 HydrophobicContact CD2-CG 4.22Å; F104-K250 HydrophobicContact CE1-CD 3.73Å; F104-K250 HydrophobicContact CE1-CG 4.4Å; F104-K250 HydrophobicContact CE2-CB 4.11Å; F104-K250 HydrophobicContact CG-CB 4.28Å; F104-K250 HydrophobicContact CG-CD 4.02Å; F104-K250 HydrophobicContact CG-CG 3.92Å; F104-K250 HydrophobicContact CZ-CB 4.37Å; F104-K250 HydrophobicContact CZ-CD 4.29Å; D107-K250 WeakPolarHBondContact OD2-CE 3.44Å; D107-K250 IonicContact OD2-NZ 2.86Å; D107-K250 PolarHBondContact OD2-NZ 3.02Å; F108-K250 HydrophobicContact CE2-CG 4.44Å; F108-K250 HydrophobicContact CZ-CG 4.3Å; S247-K250 PolarHBondContact O-N 2.74Å; A248-K250 PolarHBondContact O-N 2.82Å; K250-L252 VanDerWaalsContact C-N 3.34Å; K250-S254 VanDerWaalsContact O-CB 3.27Å; K250-S254 WeakPolarHBondContact O-CB 3.35Å; K250-S254 PolarHBondContact O-N 3.06Å
251	E	77.5	Confident	80.7	Confident	40 Å²	40	45.2 Å²	45.2	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-71.4	-31.2	178.3	-70.7	-65.7	163.3	0	0	111.9	R135 F239 Y243 S247 A248 S254 F255	R135-E251 IonicContact CZ-OE2 3.07Å; R135-E251 IonicContact NH2-OE2 2.65Å; R135-E251 PolarHBondContact NH2-OE2 3.1Å; F239-E251 HydrophobicContact CD1-CB 4.16Å; F239-E251 HydrophobicContact CE1-CB 4.39Å; F239-E251 WeakPolarHBondContact CE1-O 3.46Å; Y243-E251 HydrophobicContact CD1-CB 4.1Å; Y243-E251 HydrophobicContact CD1-CG 3.7Å; Y243-E251 HydrophobicContact CD2-CB 3.79Å; Y243-E251 HydrophobicContact CD2-CG 4.31Å; Y243-E251 HydrophobicContact CE1-CB 4.22Å; Y243-E251 HydrophobicContact CE1-CG 3.97Å; Y243-E251 HydrophobicContact CE2-CB 3.94Å; Y243-E251 HydrophobicContact CG-CB 3.87Å; Y243-E251 HydrophobicContact CG-CG 3.87Å; S247-E251 PolarHBondContact O-N 3.28Å; A248-E251 PolarHBondContact O-N 2.86Å; E251-S254 WeakPolarHBondContact O-CB 3.36Å; E251-S254 PolarHBondContact O-N 3.15Å; E251-F255 WeakPolarHBondContact O-CB 3.07Å; E251-F255 PolarHBondContact O-N 3.13Å
252	L	82	Confident	81.1	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-46.5	172.6	178.4	63.2	0	0	0	111.8	V231 T235 W236 F239 A248 K250 S254 F255 V256 V285	V231-L252 HydrophobicContact CB-CD2 4.25Å; V231-L252 HydrophobicContact CG1-CD1 3.97Å; V231-L252 HydrophobicContact CG1-CD2 3.85Å; V231-L252 HydrophobicContact CG1-CG 4.41Å; V231-L252 HydrophobicContact CG2-CD1 4.34Å; V231-L252 HydrophobicContact CG2-CD2 4.3Å; V231-L252 HydrophobicContact CG2-CG 4.42Å; T235-L252 HydrophobicContact CG2-CD1 4.14Å; W236-L252 HydrophobicContact CB-CD2 4.46Å; F239-L252 HydrophobicContact CB-CB 4.44Å; F239-L252 HydrophobicContact CD1-CB 3.78Å; F239-L252 HydrophobicContact CD1-CD1 4.34Å; F239-L252 HydrophobicContact CD2-CD1 3.81Å; F239-L252 HydrophobicContact CE1-CB 4.19Å; F239-L252 HydrophobicContact CE1-CD1 4.33Å; F239-L252 HydrophobicContact CE2-CD1 3.79Å; F239-L252 HydrophobicContact CG-CB 4.01Å; F239-L252 HydrophobicContact CG-CD1 4.1Å; F239-L252 HydrophobicContact CZ-CD1 4.07Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 3.24Å; K250-L252 VanDerWaalsContact C-N 3.34Å; L252-S254 VanDerWaalsContact C-N 3.3Å; L252-S254 PolarHBondContact O-N 3.27Å; L252-F255 WeakPolarHBondContact O-CB 3.34Å; L252-F255 PolarHBondContact O-N 2.95Å; L252-V256 HydrophobicContact CD1-CG2 4.12Å; L252-V256 WeakPolarHBondContact O-CG2 3.41Å; L252-V256 PolarHBondContact O-N 3.25Å; L252-V285 HydrophobicContact CD2-CG1 3.93Å; L252-V285 HydrophobicContact CD2-CG2 3.83Å
253	L	83.1	Confident	82.1	Confident	7 Å²	7	32.2 Å²	32.2	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-43.2	173.1	179.2	64.2	0	0	0	110.6	F104 F108 D249 F255 V256 V257 Y283	F104-L253 HydrophobicContact CB-CD2 4.12Å; F108-L253 HydrophobicContact CD2-CD2 3.89Å; F108-L253 HydrophobicContact CD2-CG 4.04Å; F108-L253 HydrophobicContact CE2-CB 4.42Å; F108-L253 HydrophobicContact CE2-CD2 3.96Å; F108-L253 HydrophobicContact CE2-CG 4.06Å; D249-L253 WeakPolarHBondContact O-CB 3.43Å; D249-L253 PolarHBondContact O-N 3.08Å; L253-F255 VanDerWaalsContact C-N 3.31Å; L253-F255 PolarHBondContact O-N 2.87Å; L253-V256 PolarHBondContact O-N 3.29Å; L253-V257 HydrophobicContact CD1-CG2 3.63Å; L253-V257 HydrophobicContact CG-CG2 4.14Å; L253-V257 VanDerWaalsContact O-CB 3.31Å; L253-V257 WeakPolarHBondContact O-CB 3.31Å; L253-V257 WeakPolarHBondContact O-CG2 3.1Å; L253-V257 PolarHBondContact O-N 3.46Å; L253-Y283 HydrophobicContact CB-CE1 4.25Å; L253-Y283 HydrophobicContact CD1-CD1 3.85Å; L253-Y283 HydrophobicContact CD1-CD2 4.26Å; L253-Y283 HydrophobicContact CD1-CE1 3.72Å; L253-Y283 HydrophobicContact CD1-CE2 4.15Å; L253-Y283 HydrophobicContact CD1-CG 4.11Å; L253-Y283 HydrophobicContact CG-CE1 4.48Å; L253-Y283 PolarHBondContact N-OH 3.07Å
254	S	80.3	Confident	82.9	Confident	5 Å²	5	29.4 Å²	29.4	4%	0.035	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-41.4	174.9	-170	0	0	0	0	112.7	F108 R135 K250 E251 L252 A258	F108-S254 WeakPolarHBondContact CE1-OG 3.49Å; F108-S254 VanDerWaalsContact CZ-CB 3.49Å; R135-S254 WeakPolarHBondContact CD-O 3.08Å; R135-S254 VanDerWaalsContact CD-OG 3.29Å; R135-S254 WeakPolarHBondContact CD-OG 3.22Å; R135-S254 PolarHBondContact NE-OG 2.77Å; K250-S254 VanDerWaalsContact O-CB 3.27Å; K250-S254 WeakPolarHBondContact O-CB 3.35Å; K250-S254 PolarHBondContact O-N 3.06Å; E251-S254 WeakPolarHBondContact O-CB 3.36Å; E251-S254 PolarHBondContact O-N 3.15Å; L252-S254 VanDerWaalsContact C-N 3.3Å; L252-S254 PolarHBondContact O-N 3.27Å; S254-A258 VanDerWaalsContact O-CB 3.27Å; S254-A258 WeakPolarHBondContact O-CB 3.16Å; S254-A258 PolarHBondContact O-N 3.26Å
255	F	79	Confident	83.6	Confident	5 Å²	5	28.7 Å²	28.7	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-56.1	175.5	172.3	-101	0	0	0	111.7	F239 E251 L252 L253 V257 A258 V259 F334 F371	F239-F255 HydrophobicContact CE1-CB 3.89Å; F239-F255 HydrophobicContact CE1-CG 4.35Å; F239-F255 HydrophobicContact CE2-CD1 4.33Å; F239-F255 HydrophobicContact CZ-CB 3.69Å; F239-F255 AromaticContact CZ-CD1 3.81Å; F239-F255 HydrophobicContact CZ-CD1 3.81Å; F239-F255 HydrophobicContact CZ-CD2 4.21Å; F239-F255 AromaticContact CZ-CG 3.64Å; F239-F255 HydrophobicContact CZ-CG 3.64Å; E251-F255 WeakPolarHBondContact O-CB 3.07Å; E251-F255 PolarHBondContact O-N 3.13Å; L252-F255 WeakPolarHBondContact O-CB 3.34Å; L252-F255 PolarHBondContact O-N 2.95Å; L253-F255 VanDerWaalsContact C-N 3.31Å; L253-F255 PolarHBondContact O-N 2.87Å; F255-V257 PolarHBondContact O-N 2.94Å; F255-A258 PolarHBondContact O-N 2.89Å; F255-A258 VanDerWaalsContact O-N 3.16Å; F255-V259 HydrophobicContact CD2-CG2 4.37Å; F255-V259 HydrophobicContact CE1-CG2 4.17Å; F255-V259 HydrophobicContact CE2-CG2 4Å; F255-V259 HydrophobicContact CZ-CG2 3.9Å; F255-V259 WeakPolarHBondContact O-CG2 3.44Å; F255-V259 PolarHBondContact O-N 2.96Å; F255-F334 HydrophobicContact CE1-CD1 4.12Å; F255-F334 HydrophobicContact CE1-CE1 4.22Å; F255-F371 HydrophobicContact CD2-CD1 4.39Å; F255-F371 HydrophobicContact CD2-CD2 4.25Å; F255-F371 AromaticContact CD2-CE1 3.8Å; F255-F371 HydrophobicContact CD2-CE1 3.8Å; F255-F371 AromaticContact CD2-CE2 3.65Å; F255-F371 HydrophobicContact CD2-CE2 3.65Å; F255-F371 AromaticContact CD2-CZ 3.38Å; F255-F371 HydrophobicContact CD2-CZ 3.38Å; F255-F371 HydrophobicContact CE2-CD1 4.19Å; F255-F371 HydrophobicContact CE2-CD2 4.04Å; F255-F371 HydrophobicContact CE2-CE1 4.06Å; F255-F371 AromaticContact CE2-CE2 3.91Å; F255-F371 HydrophobicContact CE2-CE2 3.91Å; F255-F371 HydrophobicContact CE2-CG 4.16Å; F255-F371 AromaticContact CE2-CZ 3.91Å; F255-F371 HydrophobicContact CE2-CZ 3.91Å; F255-F371 HydrophobicContact CG-CZ 4.36Å
256	V	87.4	Confident	83.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-46.7	-175.5	168.2	0	0	0	0	111.9	L229 V231 L252 L253 A258 V259 V260 Y283 F334	L229-V256 HydrophobicContact CB-CG1 4.24Å; L229-V256 HydrophobicContact CD1-CG1 3.7Å; V231-V256 HydrophobicContact CG2-CG2 3.88Å; L252-V256 HydrophobicContact CD1-CG2 4.12Å; L252-V256 WeakPolarHBondContact O-CG2 3.41Å; L252-V256 PolarHBondContact O-N 3.25Å; L253-V256 PolarHBondContact O-N 3.29Å; V256-A258 VanDerWaalsContact C-N 3.27Å; V256-A258 PolarHBondContact O-N 3.43Å; V256-V259 PolarHBondContact O-N 3.2Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 2.82Å; V256-Y283 HydrophobicContact CB-CE2 4.16Å; V256-Y283 HydrophobicContact CG1-CD2 4.17Å; V256-Y283 HydrophobicContact CG1-CE2 3.99Å; V256-Y283 HydrophobicContact CG2-CE2 4.29Å; V256-F334 HydrophobicContact CG1-CD2 4.4Å; V256-F334 HydrophobicContact CG1-CE2 3.84Å; V256-F334 HydrophobicContact CG1-CZ 4.07Å; V256-F334 HydrophobicContact CG2-CD1 4.28Å; V256-F334 HydrophobicContact CG2-CD2 4.26Å; V256-F334 HydrophobicContact CG2-CE1 4.29Å; V256-F334 HydrophobicContact CG2-CE2 4.29Å; V256-F334 HydrophobicContact CG2-CG 4.27Å; V256-F334 HydrophobicContact CG2-CZ 4.31Å
257	V	85.2	Confident	84.7	Confident	2 Å²	2	12 Å²	12	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-61.2	-38.1	177.8	171.6	0	0	0	0	111.2	L85 F86 L112 L253 F255 H261	L85-V257 HydrophobicContact CD2-CG1 4.42Å; F86-V257 HydrophobicContact CE1-CG2 4.07Å; F86-V257 HydrophobicContact CE2-CG1 4.06Å; F86-V257 HydrophobicContact CZ-CB 4.36Å; F86-V257 HydrophobicContact CZ-CG1 3.74Å; F86-V257 HydrophobicContact CZ-CG2 3.6Å; L112-V257 HydrophobicContact CD2-CG1 3.94Å; L253-V257 HydrophobicContact CD1-CG2 3.63Å; L253-V257 HydrophobicContact CG-CG2 4.14Å; L253-V257 VanDerWaalsContact O-CB 3.31Å; L253-V257 WeakPolarHBondContact O-CB 3.31Å; L253-V257 WeakPolarHBondContact O-CG2 3.1Å; L253-V257 PolarHBondContact O-N 3.46Å; F255-V257 PolarHBondContact O-N 2.94Å; V257-H261 VanDerWaalsContact O-CB 3.29Å; V257-H261 WeakPolarHBondContact O-CB 3.41Å; V257-H261 PolarHBondContact O-N 2.83Å
258	A	81.7	Confident	85.3	Confident	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-73.2	-37.7	178.4	0	0	0	0	0	113.2	A128 R135 S254 F255 V256 N262 F371	A128-A258 HydrophobicContact CB-CB 3.77Å; R135-A258 HydrophobicContact CB-CB 3.23Å; R135-A258 HydrophobicContact CG-CB 4.24Å; S254-A258 VanDerWaalsContact O-CB 3.27Å; S254-A258 WeakPolarHBondContact O-CB 3.16Å; S254-A258 PolarHBondContact O-N 3.26Å; F255-A258 PolarHBondContact O-N 2.89Å; F255-A258 VanDerWaalsContact O-N 3.16Å; V256-A258 VanDerWaalsContact C-N 3.27Å; V256-A258 PolarHBondContact O-N 3.43Å; A258-N262 WeakPolarHBondContact O-CB 3.36Å; A258-N262 PolarHBondContact O-N 3.5Å; A258-N262 PolarHBondContact O-ND2 2.86Å; A258-F371 HydrophobicContact CB-CE1 3.97Å
259	V	85.3	Confident	85.7	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.7	-50.6	171.1	169.8	0	0	0	0	109.9	F255 V256 H261 N262 V263 F334 F371 V374 I377	F255-V259 HydrophobicContact CD2-CG2 4.37Å; F255-V259 HydrophobicContact CE1-CG2 4.17Å; F255-V259 HydrophobicContact CE2-CG2 4Å; F255-V259 HydrophobicContact CZ-CG2 3.9Å; F255-V259 WeakPolarHBondContact O-CG2 3.44Å; F255-V259 PolarHBondContact O-N 2.96Å; V256-V259 PolarHBondContact O-N 3.2Å; V259-H261 PolarHBondContact O-N 3.15Å; V259-N262 WeakPolarHBondContact O-CB 3.36Å; V259-N262 PolarHBondContact O-N 3.43Å; V259-N262 VanDerWaalsContact O-N 3.14Å; V259-V263 HydrophobicContact CG1-CG2 4.44Å; V259-V263 WeakPolarHBondContact O-CG2 3.29Å; V259-V263 PolarHBondContact O-N 3.34Å; V259-F334 HydrophobicContact CB-CE1 4.15Å; V259-F334 HydrophobicContact CB-CZ 4.25Å; V259-F334 HydrophobicContact CG1-CE1 3.84Å; V259-F334 HydrophobicContact CG1-CZ 3.9Å; V259-F334 HydrophobicContact CG2-CE1 4.38Å; V259-F371 HydrophobicContact CG2-CD1 3.69Å; V259-F371 HydrophobicContact CG2-CE1 3.82Å; V259-V374 HydrophobicContact CB-CG2 4.2Å; V259-V374 HydrophobicContact CG1-CG2 3.88Å; V259-V374 HydrophobicContact CG2-CG2 4.17Å; V259-I377 HydrophobicContact CG1-CD1 3.45Å; V259-I377 VanDerWaalsContact CG1-CD1 3.45Å
260	V	90.9	Very high	85.8	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.2	-35.9	-177.7	175	0	0	0	0	112.4	L85 L229 V256 N262 V263 N264 M278 I280 F334	L85-V260 HydrophobicContact CD1-CG1 4.42Å; L229-V260 HydrophobicContact CD1-CB 4.45Å; L229-V260 HydrophobicContact CD1-CG2 3.8Å; L229-V260 HydrophobicContact CD2-CG2 3.69Å; L229-V260 HydrophobicContact CG-CG2 4.42Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 2.82Å; V260-N262 VanDerWaalsContact C-N 3.31Å; V260-N262 PolarHBondContact O-N 3.35Å; V260-V263 PolarHBondContact O-N 3.32Å; V260-N264 WeakPolarHBondContact O-CB 3.27Å; V260-N264 PolarHBondContact O-N 2.83Å; V260-M278 HydrophobicContact CG1-CE 3.77Å; V260-M278 HydrophobicContact CG1-SD 4.13Å; V260-I280 HydrophobicContact CB-CD1 4.38Å; V260-I280 HydrophobicContact CG1-CD1 3.99Å; V260-I280 HydrophobicContact CG1-CG1 3.96Å; V260-F334 HydrophobicContact CG2-CZ 4.31Å
261	H	88.4	Confident	86.2	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.2	-39.4	170.8	-175.4	63.9	0	0	0	112.4	L85 L112 Y113 I127 A128 V257 V259 N264 A265	L85-H261 HydrophobicContact CD2-CB 3.68Å; L112-H261 HydrophobicContact CD2-CB 4.43Å; Y113-H261 PolarHBondContact O-NE2 2.82Å; I127-H261 PolarHBondContact O-NE2 2.65Å; A128-H261 HydrophobicContact CB-CB 4.16Å; V257-H261 VanDerWaalsContact O-CB 3.29Å; V257-H261 WeakPolarHBondContact O-CB 3.41Å; V257-H261 PolarHBondContact O-N 2.83Å; V259-H261 PolarHBondContact O-N 3.15Å; H261-N264 WeakPolarHBondContact O-CB 3.08Å; H261-N264 PolarHBondContact O-N 3.21Å; H261-A265 PolarHBondContact O-N 3.3Å
262	N	87.6	Confident	86.8	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-69.5	-39	176.7	-71	-18.4	0	0	0	112.1	G136 L137 A258 V259 V260 A265 L266 V374	G136-N262 WeakPolarHBondContact CA-OD1 3.42Å; G136-N262 PolarHBondContact O-ND2 3.37Å; L137-N262 HydrophobicContact CB-CB 4.16Å; L137-N262 HydrophobicContact CD2-CB 4.13Å; A258-N262 WeakPolarHBondContact O-CB 3.36Å; A258-N262 PolarHBondContact O-N 3.5Å; A258-N262 PolarHBondContact O-ND2 2.86Å; V259-N262 WeakPolarHBondContact O-CB 3.36Å; V259-N262 PolarHBondContact O-N 3.43Å; V259-N262 VanDerWaalsContact O-N 3.14Å; V260-N262 VanDerWaalsContact C-N 3.31Å; V260-N262 PolarHBondContact O-N 3.35Å; N262-A265 WeakPolarHBondContact O-CB 3.41Å; N262-A265 PolarHBondContact O-N 2.82Å; N262-L266 PolarHBondContact O-N 2.99Å; N262-L266 VanDerWaalsContact O-N 3.13Å; N262-V374 HydrophobicContact CB-CG1 3.75Å; N262-V374 HydrophobicContact CB-CG2 3.84Å
263	V	92	Very high	87.1	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.8	-43.6	172.6	177.4	0	0	0	0	110.9	V259 V260 A265 L266 F267 M278 V374 I377 A378 M381	V259-V263 HydrophobicContact CG1-CG2 4.44Å; V259-V263 WeakPolarHBondContact O-CG2 3.29Å; V259-V263 PolarHBondContact O-N 3.34Å; V260-V263 PolarHBondContact O-N 3.32Å; V263-A265 PolarHBondContact O-N 2.78Å; V263-L266 WeakPolarHBondContact O-CB 3.26Å; V263-L266 PolarHBondContact O-N 3.48Å; V263-F267 HydrophobicContact CG1-CD2 3.79Å; V263-F267 HydrophobicContact CG1-CE2 3.67Å; V263-F267 WeakPolarHBondContact O-CD2 3.28Å; V263-F267 PolarHBondContact O-N 2.89Å; V263-M278 HydrophobicContact CB-SD 3.95Å; V263-M278 HydrophobicContact CG1-SD 3.55Å; V263-M278 VanDerWaalsContact CG1-SD 3.55Å; V263-V374 HydrophobicContact CG2-CG1 4.17Å; V263-V374 WeakPolarHBondContact CG2-O 3.32Å; V263-I377 HydrophobicContact CG1-CG2 4.1Å; V263-I377 HydrophobicContact CG2-CB 3.98Å; V263-I377 HydrophobicContact CG2-CG2 3.86Å; V263-A378 HydrophobicContact CG1-CB 4.44Å; V263-M381 HydrophobicContact CG1-SD 3.91Å
264	N	92.6	Very high	87.4	Confident	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-56.9	-37.9	172.6	-171.2	28	0	0	0	111.8	L85 V260 H261 F267 R268 R277 M278	L85-N264 HydrophobicContact CD1-CB 3.96Å; L85-N264 WeakPolarHBondContact CD1-ND2 3.11Å; V260-N264 WeakPolarHBondContact O-CB 3.27Å; V260-N264 PolarHBondContact O-N 2.83Å; H261-N264 WeakPolarHBondContact O-CB 3.08Å; H261-N264 PolarHBondContact O-N 3.21Å; N264-F267 PolarHBondContact O-N 3.46Å; N264-R268 WeakPolarHBondContact O-CB 3.08Å; N264-R268 VanDerWaalsContact O-CG 3.24Å; N264-R268 WeakPolarHBondContact O-CG 3.48Å; N264-R268 PolarHBondContact O-N 3.01Å; N264-R268 VanDerWaalsContact O-N 3.15Å; N264-R277 WeakPolarHBondContact OD1-CA 3Å; N264-M278 HydrophobicContact CB-CB 4.13Å; N264-M278 HydrophobicContact CB-CG 4.28Å; N264-M278 HydrophobicContact CB-SD 4.41Å; N264-M278 PolarHBondContact OD1-N 3.47Å
265	A	89	Confident	87.9	Confident	17 Å²	17	18 Å²	18	14%	0.14	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-33.6	175.3	0	0	0	0	0	113.3	A126 H261 N262 V263 R268 H269	A126-A265 HydrophobicContact CB-CB 3.5Å; H261-A265 PolarHBondContact O-N 3.3Å; N262-A265 WeakPolarHBondContact O-CB 3.41Å; N262-A265 PolarHBondContact O-N 2.82Å; V263-A265 PolarHBondContact O-N 2.78Å; A265-R268 CarbonylContact O-C 3.55Å; A265-R268 PolarHBondContact O-N 2.88Å; A265-H269 PolarHBondContact O-N 2.94Å
266	L	90	Very high	88.5	Confident	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-67.7	-42.1	172.9	-66.6	176.6	0	0	0	111.9	L137 F145 N262 V263 R268 H269 V374 F375 A378 I401 W413	L137-L266 HydrophobicContact CD2-CD2 4.24Å; L137-L266 HydrophobicContact CD2-CG 4.34Å; F145-L266 HydrophobicContact CD1-CD2 4.38Å; F145-L266 HydrophobicContact CE1-CD2 3.49Å; F145-L266 VanDerWaalsContact CE1-CD2 3.49Å; F145-L266 HydrophobicContact CZ-CD2 3.98Å; N262-L266 PolarHBondContact O-N 2.99Å; N262-L266 VanDerWaalsContact O-N 3.13Å; V263-L266 WeakPolarHBondContact O-CB 3.26Å; V263-L266 PolarHBondContact O-N 3.48Å; L266-R268 PolarHBondContact O-N 3.21Å; L266-H269 WeakPolarHBondContact O-CB 3.43Å; L266-H269 PolarHBondContact O-N 2.91Å; L266-V374 HydrophobicContact CD1-CG1 3.9Å; L266-F375 HydrophobicContact CD1-CD1 4.14Å; L266-F375 HydrophobicContact CD1-CE1 4.32Å; L266-A378 HydrophobicContact CD1-CB 3.67Å; L266-I401 HydrophobicContact CB-CD1 4.31Å; L266-I401 HydrophobicContact CD1-CD1 4.27Å; L266-I401 HydrophobicContact CD2-CD1 4.22Å; L266-W413 PolarHBondContact O-NE1 3.44Å
267	F	92.7	Very high	88.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.5	-9.7	174.6	-76.6	-67.8	0	0	0	114.5	V263 N264 I272 L276 M381 L385 M387 W413	V263-F267 HydrophobicContact CG1-CD2 3.79Å; V263-F267 HydrophobicContact CG1-CE2 3.67Å; V263-F267 WeakPolarHBondContact O-CD2 3.28Å; V263-F267 PolarHBondContact O-N 2.89Å; N264-F267 PolarHBondContact O-N 3.46Å; F267-I272 HydrophobicContact CD1-CD1 4.05Å; F267-I272 HydrophobicContact CE1-CD1 4.49Å; F267-I272 WeakPolarHBondContact O-CG2 3.16Å; F267-L276 HydrophobicContact CB-CB 4.23Å; F267-L276 HydrophobicContact CD1-CD1 4.12Å; F267-L276 PolarHBondContact O-N 3.16Å; F267-M381 HydrophobicContact CE2-CB 3.81Å; F267-M381 HydrophobicContact CE2-CE 3.96Å; F267-M381 HydrophobicContact CE2-SD 4Å; F267-M381 HydrophobicContact CZ-CB 3.61Å; F267-L385 HydrophobicContact CD1-CD1 4.2Å; F267-L385 HydrophobicContact CE1-CD1 3.47Å; F267-L385 VanDerWaalsContact CE1-CD1 3.47Å; F267-L385 HydrophobicContact CZ-CD1 3.95Å; F267-M387 HydrophobicContact CE1-CE 4.48Å; F267-W413 HydrophobicContact CD1-CH2 4.18Å; F267-W413 AromaticContact CD1-CZ2 3.67Å; F267-W413 HydrophobicContact CD1-CZ2 3.67Å; F267-W413 AromaticContact CE1-CH2 3.4Å; F267-W413 HydrophobicContact CE1-CH2 3.4Å; F267-W413 VanDerWaalsContact CE1-CH2 3.4Å; F267-W413 AromaticContact CE1-CZ2 3.37Å; F267-W413 HydrophobicContact CE1-CZ2 3.37Å; F267-W413 HydrophobicContact CE1-CZ3 4.44Å; F267-W413 HydrophobicContact CE2-CZ2 4.39Å; F267-W413 HydrophobicContact CG-CZ2 4.28Å; F267-W413 AromaticContact CZ-CH2 3.61Å; F267-W413 HydrophobicContact CZ-CH2 3.61Å; F267-W413 AromaticContact CZ-CZ2 3.76Å; F267-W413 HydrophobicContact CZ-CZ2 3.76Å
268	R	88.6	Confident	88.9	Confident	38 Å²	38	18.3 Å²	18.3	14%	0.143	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	6.1	172.4	-63.3	173.5	109.6	161.6	10.3	113.5	D84 N264 A265 L266 K275 L276	D84-R268 IonicContact OD2-CZ 2.84Å; D84-R268 IonicContact OD2-NH1 3.58Å; D84-R268 PolarHBondContact OD2-NH1 2.87Å; D84-R268 IonicContact OD2-NH2 2.67Å; D84-R268 PolarHBondContact OD2-NH2 3.45Å; D84-R268 VanDerWaalsContact OD2-NH2 3.1Å; N264-R268 WeakPolarHBondContact O-CB 3.08Å; N264-R268 VanDerWaalsContact O-CG 3.24Å; N264-R268 WeakPolarHBondContact O-CG 3.48Å; N264-R268 PolarHBondContact O-N 3.01Å; N264-R268 VanDerWaalsContact O-N 3.15Å; A265-R268 CarbonylContact O-C 3.55Å; A265-R268 PolarHBondContact O-N 2.88Å; L266-R268 PolarHBondContact O-N 3.21Å; R268-K275 WeakPolarHBondContact O-CD 3.35Å; R268-K275 WeakPolarHBondContact O-CE 3.43Å; R268-K275 PolarHBondContact O-NZ 2.99Å; R268-K275 VanDerWaalsContact O-NZ 3.1Å; R268-L276 VanDerWaalsContact CG-O 3.26Å; R268-L276 WeakPolarHBondContact CG-O 3.42Å
269	H	86.2	Confident	89.3	Confident	22 Å²	22	19.4 Å²	19.4	10%	0.102	11%	0.105	C	C	.	.	S	Bend	trans	-59	151.1	-179.7	-163.9	-110.3	0	0	0	112.1	A265 L266 T271 I272 K275	A265-H269 PolarHBondContact O-N 2.94Å; L266-H269 WeakPolarHBondContact O-CB 3.43Å; L266-H269 PolarHBondContact O-N 2.91Å; H269-T271 PolarHBondContact ND1-OG1 3.15Å; H269-T271 PolarHBondContact O-N 2.03Å; H269-I272 HydrophobicContact CB-CG2 4.18Å; H269-I272 VanDerWaalsContact O-CG2 3.31Å; H269-I272 WeakPolarHBondContact O-CG2 3.42Å; H269-I272 PolarHBondContact O-N 3.3Å; H269-K275 WeakPolarHBondContact O-CE 3.05Å
270	P	83.5	Confident	89.5	Confident	60 Å²	60	19.4 Å²	19.4	39%	0.39	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.3	179.8	-26.1	36.9	0	0	0	114.5	I272	P270-I272 VanDerWaalsContact C-N 3.28Å; P270-I272 PolarHBondContact O-N 3.13Å
271	T	88.2	Confident	89.2	Confident	56 Å²	56	20.1 Å²	20.1	34%	0.344	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.9	-179.5	65.3	0	0	0	0	114.1	H269 W413 V418	H269-T271 PolarHBondContact ND1-OG1 3.15Å; H269-T271 PolarHBondContact O-N 2.03Å; T271-W413 PolarHBondContact OG1-N 2.9Å; T271-V418 WeakPolarHBondContact O-CG2 3.22Å
272	I	89.6	Confident	89.1	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-123.6	127.6	178.8	-173	159.4	0	0	0	110.6	F267 H269 P270 K275 M387 W413 M421	F267-I272 HydrophobicContact CD1-CD1 4.05Å; F267-I272 HydrophobicContact CE1-CD1 4.49Å; F267-I272 WeakPolarHBondContact O-CG2 3.16Å; H269-I272 HydrophobicContact CB-CG2 4.18Å; H269-I272 VanDerWaalsContact O-CG2 3.31Å; H269-I272 WeakPolarHBondContact O-CG2 3.42Å; H269-I272 PolarHBondContact O-N 3.3Å; P270-I272 VanDerWaalsContact C-N 3.28Å; P270-I272 PolarHBondContact O-N 3.13Å; I272-K275 VanDerWaalsContact O-CG 3.25Å; I272-K275 WeakPolarHBondContact O-CG 3.37Å; I272-M387 HydrophobicContact CD1-CE 4.02Å; I272-W413 HydrophobicContact CB-CB 4.28Å; I272-W413 VanDerWaalsContact CB-CD1 3.48Å; I272-W413 HydrophobicContact CB-CG 3.91Å; I272-W413 HydrophobicContact CD1-CD2 3.73Å; I272-W413 HydrophobicContact CD1-CE3 4.39Å; I272-W413 HydrophobicContact CD1-CG 3.82Å; I272-W413 HydrophobicContact CD1-CZ2 4.19Å; I272-W413 HydrophobicContact CG1-CG 4.38Å; I272-W413 HydrophobicContact CG2-CG 4.46Å; I272-M421 HydrophobicContact CD1-CE 4.21Å; I272-M421 HydrophobicContact CD1-SD 3.7Å; I272-M421 HydrophobicContact CG1-CE 3.79Å; I272-M421 HydrophobicContact CG1-SD 3.98Å
273	V	87.3	Confident	89.2	Confident	68 Å²	68	20.9 Å²	20.9	41%	0.412	11%	0.111	S	C	.	.	S	Bend	trans	-146.1	130.5	-173.5	179.6	0	0	0	0	107.9	F215 N422	F215-V273 HydrophobicContact CD1-CB 4.46Å; F215-V273 HydrophobicContact CD1-CG1 3.95Å; F215-V273 HydrophobicContact CE1-CB 4.02Å; F215-V273 HydrophobicContact CE1-CG1 3.84Å; V273-N422 PolarHBondContact O-ND2 2.98Å
274	P	89.8	Confident	89.1	Confident	14 Å²	14	22.4 Å²	22.4	9%	0.091	12%	0.118	C	C	.	.	S	Bend	cis	-59.6	160.3	-12.7	29.6	-37	0	0	0	111.3	A216 T218 L223 M421 N422 L425	A216-P274 HydrophobicContact CB-CG 4.49Å; T218-P274 HydrophobicContact CG2-CB 3.69Å; T218-P274 HydrophobicContact CG2-CG 4.31Å; L223-P274 HydrophobicContact CD1-CB 3.91Å; L223-P274 HydrophobicContact CD1-CG 3.53Å; P274-M421 HydrophobicContact CG-CE 4.3Å; P274-M421 WeakPolarHBondContact O-CE 3.24Å; P274-N422 WeakPolarHBondContact CD-OD1 3.3Å; P274-L425 HydrophobicContact CG-CD1 3.66Å
275	K	90.1	Very high	89	Confident	93 Å²	93	23.7 Å²	23.7	40%	0.404	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-86.9	138.4	176.7	-68.4	178.1	-179.6	-166.8	0	109.4	R268 H269 I272	R268-K275 WeakPolarHBondContact O-CD 3.35Å; R268-K275 WeakPolarHBondContact O-CE 3.43Å; R268-K275 PolarHBondContact O-NZ 2.99Å; R268-K275 VanDerWaalsContact O-NZ 3.1Å; H269-K275 WeakPolarHBondContact O-CE 3.05Å; I272-K275 VanDerWaalsContact O-CG 3.25Å; I272-K275 WeakPolarHBondContact O-CG 3.37Å
276	L	91.9	Very high	89.2	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146	175.1	-45.6	179	0	0	0	108.8	L223 I225 F267 R268 L385 M421 L425	L223-L276 HydrophobicContact CB-CD2 3.52Å; L223-L276 HydrophobicContact CD1-CD2 3.48Å; L223-L276 VanDerWaalsContact CD1-CD2 3.48Å; L223-L276 HydrophobicContact CG-CD2 4.15Å; I225-L276 HydrophobicContact CD1-CB 4.19Å; I225-L276 HydrophobicContact CD1-CD1 3.94Å; I225-L276 HydrophobicContact CG1-CB 4.39Å; F267-L276 HydrophobicContact CB-CB 4.23Å; F267-L276 HydrophobicContact CD1-CD1 4.12Å; F267-L276 PolarHBondContact O-N 3.16Å; R268-L276 VanDerWaalsContact CG-O 3.26Å; R268-L276 WeakPolarHBondContact CG-O 3.42Å; L276-L385 HydrophobicContact CD1-CD1 3.4Å; L276-L385 VanDerWaalsContact CD1-CD1 3.4Å; L276-L385 HydrophobicContact CD1-CD2 3.75Å; L276-L385 HydrophobicContact CD1-CG 4.24Å; L276-M421 HydrophobicContact CD1-SD 3.97Å; L276-M421 HydrophobicContact CG-SD 4.35Å; L276-L425 HydrophobicContact CD2-CD1 4.46Å
277	R	90	Very high	89.2	Confident	13 Å²	13	27.6 Å²	27.6	5%	0.049	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.9	171	167.4	-177.2	57.9	178.6	-9.5	108.6	L223 V224 I225 N264 D442	L223-R277 PolarHBondContact O-N 2.94Å; V224-R277 CarbonylContact C-O 3.35Å; V224-R277 VanDerWaalsContact C-O 3.31Å; V224-R277 WeakPolarHBondContact CA-O 3.28Å; I225-R277 PolarHBondContact N-O 3.22Å; N264-R277 WeakPolarHBondContact OD1-CA 3Å; R277-D442 IonicContact CZ-OD1 2.77Å; R277-D442 IonicContact CZ-OD2 3.97Å; R277-D442 IonicContact NH1-OD1 3.1Å; R277-D442 PolarHBondContact NH1-OD1 3.12Å; R277-D442 IonicContact NH1-OD2 2.89Å; R277-D442 IonicContact NH2-OD1 3.51Å; R277-D442 PolarHBondContact NH2-OD1 2.74Å; R277-D442 IonicContact NH2-OD2 3.48Å; R277-D442 PolarHBondContact NH2-OD2 2.89Å
278	M	92	Very high	89.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	141.8	166.7	-60.9	-177.6	73.2	0	0	110.9	T227 V260 V263 N264 I332 M381	T227-M278 HydrophobicContact CG2-CE 3.88Å; V260-M278 HydrophobicContact CG1-CE 3.77Å; V260-M278 HydrophobicContact CG1-SD 4.13Å; V263-M278 HydrophobicContact CB-SD 3.95Å; V263-M278 HydrophobicContact CG1-SD 3.55Å; V263-M278 VanDerWaalsContact CG1-SD 3.55Å; N264-M278 HydrophobicContact CB-CB 4.13Å; N264-M278 HydrophobicContact CB-CG 4.28Å; N264-M278 HydrophobicContact CB-SD 4.41Å; N264-M278 PolarHBondContact OD1-N 3.47Å; M278-I332 HydrophobicContact CE-CD1 3.87Å; M278-M381 HydrophobicContact CE-CE 3.72Å; M278-M381 HydrophobicContact CE-SD 3.72Å; M278-M381 HydrophobicContact CG-CE 4.33Å; M278-M381 HydrophobicContact SD-CE 4.01Å; M278-M381 HydrophobicContact SD-SD 4.1Å
279	Q	89.4	Confident	89.3	Confident	22 Å²	22	39.7 Å²	39.7	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.4	163	-75	-173.2	10.9	0	0	109.8	L85 V224 I225 T227	L85-Q279 CarbonylContact O-C 3.6Å; L85-Q279 WeakPolarHBondContact O-CA 3.42Å; V224-Q279 HydrophobicContact CG1-CB 4.13Å; V224-Q279 HydrophobicContact CG1-CG 3.84Å; I225-Q279 PolarHBondContact O-N 3.01Å; T227-Q279 WeakPolarHBondContact CA-O 3.5Å; T227-Q279 VanDerWaalsContact CB-O 3.3Å; T227-Q279 WeakPolarHBondContact CB-O 3.36Å; T227-Q279 PolarHBondContact N-O 3.12Å; T227-Q279 PolarHBondContact OG1-O 2.88Å
280	I	89.1	Confident	89.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.4	177	-55.3	171.8	0	0	0	107.6	L85 F86 D87 F90 T227 L229 V260	L85-I280 HydrophobicContact CD2-CD1 4.18Å; L85-I280 HydrophobicContact CG-CD1 4.06Å; L85-I280 HydrophobicContact CG-CG1 4.36Å; L85-I280 WeakPolarHBondContact O-CG1 3.45Å; L85-I280 PolarHBondContact O-N 3.26Å; F86-I280 HydrophobicContact CD1-CB 3.98Å; F86-I280 HydrophobicContact CD1-CD1 4.15Å; F86-I280 HydrophobicContact CD1-CG2 4.26Å; F86-I280 HydrophobicContact CE1-CD1 3.96Å; F86-I280 HydrophobicContact CZ-CD1 4.36Å; D87-I280 PolarHBondContact N-O 2.92Å; F90-I280 HydrophobicContact CD2-CG2 3.91Å; F90-I280 WeakPolarHBondContact CD2-O 3.44Å; F90-I280 HydrophobicContact CE2-CG2 3.69Å; T227-I280 WeakPolarHBondContact O-CA 3.41Å; L229-I280 HydrophobicContact CD1-CB 4.44Å; L229-I280 HydrophobicContact CD1-CD1 3.82Å; L229-I280 HydrophobicContact CD1-CG1 3.92Å; L229-I280 HydrophobicContact CD1-CG2 3.67Å; L229-I280 HydrophobicContact CG-CG2 4.13Å; V260-I280 HydrophobicContact CB-CD1 4.38Å; V260-I280 HydrophobicContact CG1-CD1 3.99Å; V260-I280 HydrophobicContact CG1-CG1 3.96Å
281	K	85.1	Confident	90.2	Very high	15 Å²	15	41.9 Å²	41.9	7%	0.065	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-35.6	172.7	-75.9	-80.5	169	123	0	112	D87 F90 H91 E226 T227 P325 H327 W328	D87-K281 HydrophobicContact CB-CD 3.68Å; D87-K281 HydrophobicContact CB-CG 4.33Å; D87-K281 WeakPolarHBondContact OD1-CE 3.27Å; D87-K281 IonicContact OD1-NZ 3.22Å; F90-K281 WeakPolarHBondContact CA-O 3.47Å; H91-K281 PolarHBondContact N-O 3.34Å; E226-K281 HydrophobicContact CB-CG 3.97Å; E226-K281 WeakPolarHBondContact OE1-CE 3.09Å; E226-K281 IonicContact OE1-NZ 3.75Å; E226-K281 PolarHBondContact OE1-NZ 3.25Å; E226-K281 WeakPolarHBondContact OE2-CE 3.48Å; E226-K281 IonicContact OE2-NZ 2.72Å; E226-K281 PolarHBondContact OE2-NZ 2.85Å; T227-K281 PolarHBondContact O-N 2.87Å; K281-P325 PolarHBondContact NZ-O 3.07Å; K281-H327 VanDerWaalsContact CG-O 3.29Å; K281-H327 WeakPolarHBondContact CG-O 3.31Å; K281-W328 HydrophobicContact CB-CB 4.43Å
282	K	87.4	Confident	90.4	Very high	12 Å²	12	42.3 Å²	42.3	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.9	-168.1	176.6	172.3	173.7	56	0	111.8	A228 L229 F230 E284 W328	A228-K282 HydrophobicContact CB-CB 3.86Å; A228-K282 HydrophobicContact CB-CD 4.24Å; A228-K282 HydrophobicContact CB-CG 4.3Å; L229-K282 PolarHBondContact N-O 2.84Å; F230-K282 HydrophobicContact CZ-CD 4.21Å; K282-E284 VanDerWaalsContact CE-OE2 3.32Å; K282-E284 WeakPolarHBondContact CE-OE2 3.48Å; K282-E284 IonicContact NZ-OE2 3.81Å; K282-E284 PolarHBondContact NZ-OE2 3.47Å; K282-W328 HydrophobicContact CD-CE3 4.01Å; K282-W328 HydrophobicContact CD-CH2 3.62Å; K282-W328 HydrophobicContact CD-CZ2 4.45Å; K282-W328 HydrophobicContact CD-CZ3 3.39Å
283	Y	88.7	Confident	90.7	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.9	167.4	173.7	-108.6	0	0	0	108.5	E92 L229 V231 L253 V256 V285	E92-Y283 HydrophobicContact CG-CD1 4.36Å; L229-Y283 HydrophobicContact CB-CD2 4.22Å; L229-Y283 CarbonylContact O-C 3.31Å; L229-Y283 WeakPolarHBondContact O-CA 3.42Å; V231-Y283 HydrophobicContact CG2-CE2 4.03Å; L253-Y283 HydrophobicContact CB-CE1 4.25Å; L253-Y283 HydrophobicContact CD1-CD1 3.85Å; L253-Y283 HydrophobicContact CD1-CD2 4.26Å; L253-Y283 HydrophobicContact CD1-CE1 3.72Å; L253-Y283 HydrophobicContact CD1-CE2 4.15Å; L253-Y283 HydrophobicContact CD1-CG 4.11Å; L253-Y283 HydrophobicContact CG-CE1 4.48Å; L253-Y283 PolarHBondContact N-OH 3.07Å; V256-Y283 HydrophobicContact CB-CE2 4.16Å; V256-Y283 HydrophobicContact CG1-CD2 4.17Å; V256-Y283 HydrophobicContact CG1-CE2 3.99Å; V256-Y283 HydrophobicContact CG2-CE2 4.29Å; Y283-V285 HydrophobicContact CE1-CG2 3.73Å; Y283-V285 HydrophobicContact CE2-CG2 4.28Å; Y283-V285 VanDerWaalsContact OH-CG2 3.29Å; Y283-V285 WeakPolarHBondContact OH-CG2 3.42Å
284	E	89.5	Confident	91	Very high	32 Å²	32	40.5 Å²	40.5	15%	0.15	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	121.7	177.4	-164.7	-179.8	137.6	0	0	112.2	L229 F230 V231 K282 L286 K317	L229-E284 PolarHBondContact O-N 2.92Å; F230-E284 WeakPolarHBondContact CA-O 3.43Å; F230-E284 HydrophobicContact CD1-CB 4.02Å; F230-E284 HydrophobicContact CE1-CB 4.19Å; V231-E284 PolarHBondContact N-O 2.83Å; K282-E284 VanDerWaalsContact CE-OE2 3.32Å; K282-E284 WeakPolarHBondContact CE-OE2 3.48Å; K282-E284 IonicContact NZ-OE2 3.81Å; K282-E284 PolarHBondContact NZ-OE2 3.47Å; E284-L286 HydrophobicContact CG-CD2 4.24Å; E284-L286 VanDerWaalsContact OE1-CD2 3.27Å; E284-L286 WeakPolarHBondContact OE1-CD2 3.4Å; E284-K317 IonicContact OE1-NZ 3.43Å; E284-K317 PolarHBondContact OE1-NZ 3.21Å; E284-K317 IonicContact OE2-NZ 3.95Å; E284-K317 PolarHBondContact OE2-NZ 3.06Å
285	V	91	Very high	91.2	Very high	28 Å²	28	42.2 Å²	42.2	17%	0.17	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.7	174	-173.7	0	0	0	0	109.6	V231 W236 L252 Y283 K287	V231-V285 HydrophobicContact CB-CG1 4.47Å; V231-V285 HydrophobicContact CB-CG2 4.47Å; W236-V285 HydrophobicContact CB-CG1 3.86Å; W236-V285 HydrophobicContact CG-CG1 3.82Å; L252-V285 HydrophobicContact CD2-CG1 3.93Å; L252-V285 HydrophobicContact CD2-CG2 3.83Å; Y283-V285 HydrophobicContact CE1-CG2 3.73Å; Y283-V285 HydrophobicContact CE2-CG2 4.28Å; Y283-V285 VanDerWaalsContact OH-CG2 3.29Å; Y283-V285 WeakPolarHBondContact OH-CG2 3.42Å; V285-K287 HydrophobicContact CB-CG 4.36Å; V285-K287 HydrophobicContact CG1-CG 3.78Å; V285-K287 PolarHBondContact O-N 2.92Å
286	L	93.1	Very high	91.4	Very high	11 Å²	11	45 Å²	45	6%	0.058	22%	0.221	C	C	.	.			trans	-77.5	60.5	-179.5	-54.5	176.8	0	0	0	111.1	V231 A233 E284 R288 P290 L293 F313	V231-L286 WeakPolarHBondContact O-CB 3.16Å; V231-L286 PolarHBondContact O-N 2.7Å; A233-L286 WeakPolarHBondContact CA-O 3.24Å; A233-L286 WeakPolarHBondContact CB-O 3.22Å; A233-L286 PolarHBondContact N-O 3.16Å; E284-L286 HydrophobicContact CG-CD2 4.24Å; E284-L286 VanDerWaalsContact OE1-CD2 3.27Å; E284-L286 WeakPolarHBondContact OE1-CD2 3.4Å; L286-R288 CarbonylContact O-C 3.57Å; L286-R288 PolarHBondContact O-N 2.88Å; L286-P290 HydrophobicContact CD1-CG 4.49Å; L286-L293 HydrophobicContact CD1-CD1 3.75Å; L286-F313 HydrophobicContact CD1-CE1 3.87Å; L286-F313 HydrophobicContact CD1-CZ 4.17Å; L286-F313 HydrophobicContact CD2-CE1 4.09Å; L286-F313 HydrophobicContact CD2-CZ 3.81Å
287	K	90.5	Very high	91.5	Very high	90 Å²	90	48 Å²	48	39%	0.391	24%	0.239	S	C	.	.	S	Bend	trans	-54.1	-20.5	-177.6	-61.8	-170.8	179.8	-168.7	0	114.5	W236 D249 V285	W236-K287 HydrophobicContact CD2-CB 4.45Å; W236-K287 HydrophobicContact CD2-CD 4.32Å; W236-K287 HydrophobicContact CD2-CG 3.94Å; W236-K287 HydrophobicContact CE3-CB 4.41Å; W236-K287 HydrophobicContact CE3-CG 4.38Å; W236-K287 HydrophobicContact CG-CG 4.21Å; W236-K287 HydrophobicContact CH2-CD 4.44Å; W236-K287 HydrophobicContact CZ2-CD 3.86Å; W236-K287 HydrophobicContact CZ2-CG 4.38Å; D249-K287 WeakPolarHBondContact OD1-CE 3.41Å; D249-K287 IonicContact OD1-NZ 2.68Å; D249-K287 PolarHBondContact OD1-NZ 3.37Å; D249-K287 IonicContact OD2-NZ 2.65Å; D249-K287 PolarHBondContact OD2-NZ 2.89Å; V285-K287 HydrophobicContact CB-CG 4.36Å; V285-K287 HydrophobicContact CG1-CG 3.78Å; V285-K287 PolarHBondContact O-N 2.92Å
288	R	90.6	Very high	91.6	Very high	224 Å²	224	47.5 Å²	47.5	85%	0.845	24%	0.238	S	C	*	.	S	Bend	trans	-122.4	126	162.8	-61.9	-173.8	-176.1	-166.1	1	107.7	L286	L286-R288 CarbonylContact O-C 3.57Å; L286-R288 PolarHBondContact O-N 2.88Å
289	T	93.2	Very high	91.5	Very high	69 Å²	69	49.2 Å²	49.2	42%	0.423	25%	0.252	S	S	.	.			trans	-59.1	124.4	177.3	-47.1	0	0	0	0	110.4	L293	T289-L293 VanDerWaalsContact CG2-C 3.48Å; T289-L293 HydrophobicContact CG2-CB 4.18Å; T289-L293 WeakPolarHBondContact CG2-O 3.29Å
290	P	94.1	Very high	91.6	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.143	27%	0.273	C	S	.	.			trans	-72.3	155.9	174.5	30.8	-34.5	0	0	0	110.7	L286 E292 L293 A294 F313	L286-P290 HydrophobicContact CD1-CG 4.49Å; P290-E292 VanDerWaalsContact C-N 3.25Å; P290-E292 PolarHBondContact O-N 2.68Å; P290-L293 HydrophobicContact CG-CB 3.93Å; P290-L293 HydrophobicContact CG-CD1 3.96Å; P290-L293 HydrophobicContact CG-CG 4.01Å; P290-L293 CarbonylContact O-C 3.57Å; P290-L293 PolarHBondContact O-N 2.65Å; P290-A294 PolarHBondContact O-N 2.94Å; P290-A294 VanDerWaalsContact O-N 3.12Å; P290-F313 HydrophobicContact CB-CD2 4.32Å; P290-F313 HydrophobicContact CB-CE2 3.73Å; P290-F313 HydrophobicContact CB-CZ 4.41Å; P290-F313 HydrophobicContact CG-CD2 3.96Å; P290-F313 HydrophobicContact CG-CE2 3.47Å; P290-F313 VanDerWaalsContact CG-CE2 3.47Å; P290-F313 HydrophobicContact CG-CZ 3.83Å
291	P	93.9	Very high	91.4	Very high	105 Å²	105	53.8 Å²	53.8	68%	0.682	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-55.5	-37.1	-178.5	-26.3	35.8	0	0	0	113.9	L293 A294	P291-L293 PolarHBondContact O-N 2.76Å; P291-A294 WeakPolarHBondContact O-CB 3.31Å; P291-A294 PolarHBondContact O-N 2.9Å
292	E	92.5	Very high	91.5	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.6	175.8	-68.6	92	157.9	0	0	114.2	P290 T297 F313 K316	P290-E292 VanDerWaalsContact C-N 3.25Å; P290-E292 PolarHBondContact O-N 2.68Å; E292-T297 WeakPolarHBondContact O-CG2 3.29Å; E292-F313 HydrophobicContact CB-CB 4.24Å; E292-F313 HydrophobicContact CB-CD2 4.16Å; E292-K316 IonicContact OE1-NZ 2.63Å; E292-K316 PolarHBondContact OE1-NZ 3.23Å
293	L	94.4	Very high	91.3	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.058	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-113.7	17.5	179.1	-59.6	179	0	0	0	112.2	L286 T289 P290 P291 H298 A309 F310 F313	L286-L293 HydrophobicContact CD1-CD1 3.75Å; T289-L293 VanDerWaalsContact CG2-C 3.48Å; T289-L293 HydrophobicContact CG2-CB 4.18Å; T289-L293 WeakPolarHBondContact CG2-O 3.29Å; P290-L293 HydrophobicContact CG-CB 3.93Å; P290-L293 HydrophobicContact CG-CD1 3.96Å; P290-L293 HydrophobicContact CG-CG 4.01Å; P290-L293 CarbonylContact O-C 3.57Å; P290-L293 PolarHBondContact O-N 2.65Å; P291-L293 PolarHBondContact O-N 2.76Å; L293-H298 PolarHBondContact O-NE2 2.77Å; L293-A309 HydrophobicContact CD2-CB 3.9Å; L293-F310 HydrophobicContact CD2-CB 4.27Å; L293-F313 HydrophobicContact CD1-CB 4.42Å; L293-F313 HydrophobicContact CD1-CD1 3.78Å; L293-F313 HydrophobicContact CD1-CE1 4.14Å; L293-F313 HydrophobicContact CD1-CG 3.99Å; L293-F313 HydrophobicContact CD2-CB 4.29Å; L293-F313 HydrophobicContact CG-CB 4.24Å; L293-F313 HydrophobicContact CG-CD1 4.45Å; L293-F313 HydrophobicContact CG-CG 4.17Å
294	A	94.7	Very high	91	Very high	18 Å²	18	59.6 Å²	59.6	15%	0.149	30%	0.3	C	S	.	.			trans	-63.4	137.6	175	0	0	0	0	0	110.2	P290 P291 H296 T297 H298	P290-A294 PolarHBondContact O-N 2.94Å; P290-A294 VanDerWaalsContact O-N 3.12Å; P291-A294 WeakPolarHBondContact O-CB 3.31Å; P291-A294 PolarHBondContact O-N 2.9Å; A294-H296 PolarHBondContact O-N 3.14Å; A294-T297 VanDerWaalsContact O-CB 3.23Å; A294-T297 WeakPolarHBondContact O-CB 3.37Å; A294-T297 PolarHBondContact O-N 3.48Å; A294-T297 PolarHBondContact O-OG1 2.9Å; A294-H298 PolarHBondContact O-CD2 2.79Å
295	D	93.1	Very high	90.9	Very high	50 Å²	50	61.6 Å²	61.6	27%	0.267	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-36.4	-46.4	-176.8	-84.5	68	0	0	0	115.4	T297 H298 A299 H300 H337	D295-T297 VanDerWaalsContact C-N 3.34Å; D295-T297 PolarHBondContact O-N 3.44Å; D295-H298 CarbonylContact O-C 3.57Å; D295-H298 PolarHBondContact O-N 3.19Å; D295-A299 PolarHBondContact O-N 3.08Å; D295-A299 VanDerWaalsContact O-N 3.12Å; D295-H300 WeakPolarHBondContact CB-ND1 3.46Å; D295-H300 PolarHBondContact O-N 3.05Å; D295-H300 IonicContact OD2-CE1 3.36Å; D295-H300 IonicContact OD2-CG 3.67Å; D295-H300 IonicContact OD2-ND1 3.58Å; D295-H300 PolarHBondContact OD2-ND1 2.96Å; D295-H337 IonicContact OD2-CE1 3.58Å
296	H	94.3	Very high	91	Very high	153 Å²	153	60.5 Å²	60.5	71%	0.708	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-68.8	-29	-176.7	59.9	-93.9	0	0	0	113.6	A294 H298 A299	A294-H296 PolarHBondContact O-N 3.14Å; H296-H298 PolarHBondContact O-N 3.01Å; H296-A299 PolarHBondContact O-N 3.44Å
297	T	94	Very high	90.8	Very high	63 Å²	63	60.5 Å²	60.5	39%	0.387	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-64.1	-24.4	177.7	-53.1	0	0	0	0	112	E292 A294 D295 A309	E292-T297 WeakPolarHBondContact O-CG2 3.29Å; A294-T297 VanDerWaalsContact O-CB 3.23Å; A294-T297 WeakPolarHBondContact O-CB 3.37Å; A294-T297 PolarHBondContact O-N 3.48Å; A294-T297 PolarHBondContact O-OG1 2.9Å; D295-T297 VanDerWaalsContact C-N 3.34Å; D295-T297 PolarHBondContact O-N 3.44Å; T297-A309 HydrophobicContact CG2-CB 4.44Å
298	H	92.9	Very high	90.6	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.014	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-130.7	28.5	-179.2	66	90.8	0	0	0	113.7	L293 A294 D295 H296 H300 G301 E302 L305 L306 H337	L293-H298 PolarHBondContact O-NE2 2.77Å; A294-H298 PolarHBondContact O-CD2 2.79Å; D295-H298 CarbonylContact O-C 3.57Å; D295-H298 PolarHBondContact O-N 3.19Å; H296-H298 PolarHBondContact O-N 3.01Å; H298-H300 PolarHBondContact O-N 2.71Å; H298-H300 VanDerWaalsContact O-N 3.1Å; H298-G301 PolarHBondContact ND1-N 3.14Å; H298-G301 PolarHBondContact O-N 3.14Å; H298-E302 PolarHBondContact O-N 2.8Å; H298-L305 HydrophobicContact CB-CB 4.04Å; H298-L306 HydrophobicContact CB-CB 3.9Å; H298-L306 HydrophobicContact CB-CD1 4.39Å; H298-H337 AromaticContact CE1-CE1 3.76Å; H298-H337 AromaticContact CE1-ND1 3.91Å
299	A	90.9	Very high	90.8	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	40.9	176.9	0	0	0	0	0	114.4	D295 H296 G301 E302 L305 Y340	D295-A299 PolarHBondContact O-N 3.08Å; D295-A299 VanDerWaalsContact O-N 3.12Å; H296-A299 PolarHBondContact O-N 3.44Å; A299-G301 PolarHBondContact O-N 2.92Å; A299-E302 HydrophobicContact CB-CB 4.2Å; A299-L305 HydrophobicContact CB-CD1 4.24Å; A299-Y340 PolarHBondContact O-OH 2.88Å
300	H	89.7	Confident	90.9	Very high	117 Å²	117	49.2 Å²	49.2	54%	0.542	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	11.5	-178	-54.7	-87.9	0	0	0	116.3	D295 H298 H337	D295-H300 WeakPolarHBondContact CB-ND1 3.46Å; D295-H300 PolarHBondContact O-N 3.05Å; D295-H300 IonicContact OD2-CE1 3.36Å; D295-H300 IonicContact OD2-CG 3.67Å; D295-H300 IonicContact OD2-ND1 3.58Å; D295-H300 PolarHBondContact OD2-ND1 2.96Å; H298-H300 PolarHBondContact O-N 2.71Å; H298-H300 VanDerWaalsContact O-N 3.1Å; H300-H337 PolarHBondContact O-ND1 2.82Å
301	G	86.3	Confident	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	145.5	16.4	175.3	0	0	0	0	0	116.3	H298 A299 A303 I339 Y340	H298-G301 PolarHBondContact ND1-N 3.14Å; H298-G301 PolarHBondContact O-N 3.14Å; A299-G301 PolarHBondContact O-N 2.92Å; G301-A303 PolarHBondContact O-N 2.82Å; G301-I339 WeakPolarHBondContact O-CA 3.34Å; G301-Y340 WeakPolarHBondContact O-CD1 3.32Å; G301-Y340 PolarHBondContact O-N 3.18Å
302	E	86.2	Confident	90.5	Very high	28 Å²	28	46.8 Å²	46.8	13%	0.131	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-68.2	131.2	177	-159.1	-64.7	129.8	0	0	109.8	H298 A299 E304 L305 L306 Y340 S341	H298-E302 PolarHBondContact O-N 2.8Å; A299-E302 HydrophobicContact CB-CB 4.2Å; E302-E304 WeakPolarHBondContact OE2-CA 3.46Å; E302-E304 WeakPolarHBondContact OE2-CB 3.27Å; E302-E304 PolarHBondContact OE2-N 3.02Å; E302-L305 HydrophobicContact CB-CB 4.4Å; E302-L305 HydrophobicContact CB-CD1 4.27Å; E302-L305 HydrophobicContact CB-CG 4.46Å; E302-L305 PolarHBondContact O-N 2.86Å; E302-L305 PolarHBondContact OE2-N 2.93Å; E302-L306 WeakPolarHBondContact O-CB 3.42Å; E302-L306 PolarHBondContact O-N 2.8Å; E302-Y340 CarbonylContact C-O 3.35Å; E302-Y340 WeakPolarHBondContact CA-O 3.27Å; E302-Y340 HydrophobicContact CB-CE1 4.22Å; E302-Y340 HydrophobicContact CB-CE2 4.03Å; E302-Y340 HydrophobicContact CG-CD2 4.42Å; E302-Y340 HydrophobicContact CG-CE2 3.87Å; E302-S341 PolarHBondContact OE1-OG 2.79Å
303	A	83.3	Confident	90.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-45.8	-166.9	0	0	0	0	0	114.2	G301 L307 I339 Y340 V347 F350	G301-A303 PolarHBondContact O-N 2.82Å; A303-L307 WeakPolarHBondContact O-CB 3.48Å; A303-L307 PolarHBondContact O-N 3.2Å; A303-I339 HydrophobicContact CB-CG2 3.82Å; A303-Y340 PolarHBondContact N-O 2.53Å; A303-V347 HydrophobicContact CB-CG1 4.11Å; A303-F350 HydrophobicContact CB-CB 4.31Å; A303-F350 HydrophobicContact CB-CD1 4.14Å; A303-F350 HydrophobicContact CB-CD2 4.33Å; A303-F350 HydrophobicContact CB-CG 4.04Å
304	E	82.4	Confident	90.6	Very high	125 Å²	125	43.8 Å²	43.8	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-69.3	-42.2	179.5	-60.9	-158.1	165.5	0	0	111.2	E302 K308 F350	E302-E304 WeakPolarHBondContact OE2-CA 3.46Å; E302-E304 WeakPolarHBondContact OE2-CB 3.27Å; E302-E304 PolarHBondContact OE2-N 3.02Å; E304-K308 WeakPolarHBondContact O-CB 3.27Å; E304-K308 PolarHBondContact O-N 2.86Å; E304-F350 HydrophobicContact CG-CE1 3.85Å; E304-F350 HydrophobicContact CG-CZ 4.14Å
305	L	88.7	Confident	90.3	Very high	75 Å²	75	45.8 Å²	45.8	39%	0.393	23%	0.23	S	C	.	.	H	α-helix	trans	-69	-42.6	179.8	-61.3	179.2	0	0	0	112.2	H298 A299 E302 K308 A309	H298-L305 HydrophobicContact CB-CB 4.04Å; A299-L305 HydrophobicContact CB-CD1 4.24Å; E302-L305 HydrophobicContact CB-CB 4.4Å; E302-L305 HydrophobicContact CB-CD1 4.27Å; E302-L305 HydrophobicContact CB-CG 4.46Å; E302-L305 PolarHBondContact O-N 2.86Å; E302-L305 PolarHBondContact OE2-N 2.93Å; L305-K308 PolarHBondContact O-N 3.24Å; L305-A309 WeakPolarHBondContact O-CB 3.32Å; L305-A309 PolarHBondContact O-N 3.49Å
306	L	92.1	Very high	90.3	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-42.7	178.2	178.2	53.9	0	0	0	111	H298 E302 A309 F310 L333 T335 I339 I365	H298-L306 HydrophobicContact CB-CB 3.9Å; H298-L306 HydrophobicContact CB-CD1 4.39Å; E302-L306 WeakPolarHBondContact O-CB 3.42Å; E302-L306 PolarHBondContact O-N 2.8Å; L306-A309 PolarHBondContact O-N 3.46Å; L306-F310 WeakPolarHBondContact O-CB 3.38Å; L306-F310 PolarHBondContact O-N 3.46Å; L306-L333 HydrophobicContact CD1-CD2 4.17Å; L306-T335 HydrophobicContact CD2-CG2 4.12Å; L306-I339 HydrophobicContact CD2-CG1 4.5Å; L306-I365 HydrophobicContact CB-CD1 3.98Å; L306-I365 HydrophobicContact CD2-CD1 4.04Å; L306-I365 HydrophobicContact CG-CD1 3.86Å
307	L	89.7	Confident	90.1	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-52.1	174.8	177.2	61.4	0	0	0	110	A303 A309 F310 C311 F350 P352 C363 I365	A303-L307 WeakPolarHBondContact O-CB 3.48Å; A303-L307 PolarHBondContact O-N 3.2Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 2.82Å; L307-F310 PolarHBondContact O-N 3.01Å; L307-F310 VanDerWaalsContact O-N 3.14Å; L307-C311 VanDerWaalsContact CD1-SG 3.54Å; L307-C311 WeakPolarHBondContact O-CB 3.44Å; L307-C311 PolarHBondContact O-N 3.17Å; L307-C311 PolarHBondContact O-SG 2.9Å; L307-F350 HydrophobicContact CB-CD1 4.15Å; L307-F350 HydrophobicContact CD2-CD1 3.47Å; L307-F350 VanDerWaalsContact CD2-CD1 3.47Å; L307-F350 HydrophobicContact CD2-CE1 4.09Å; L307-F350 HydrophobicContact CD2-CG 4.35Å; L307-F350 HydrophobicContact CG-CD1 4.45Å; L307-P352 HydrophobicContact CD2-CG 4.04Å; L307-C363 HydrophobicContact CD1-CB 4.31Å; L307-I365 HydrophobicContact CB-CD1 4Å; L307-I365 HydrophobicContact CB-CG1 4.22Å; L307-I365 HydrophobicContact CB-CG2 4.41Å; L307-I365 HydrophobicContact CD1-CG1 4.39Å; L307-I365 HydrophobicContact CD1-CG2 3.99Å
308	K	85.3	Confident	90	Very high	135 Å²	135	43.5 Å²	43.5	59%	0.587	21%	0.211	S	C	*	.	H	α-helix	trans	-57.8	-42.2	178.3	-177.8	179.4	179.4	-177.9	0	112.5	E304 L305 N312	E304-K308 WeakPolarHBondContact O-CB 3.27Å; E304-K308 PolarHBondContact O-N 2.86Å; L305-K308 PolarHBondContact O-N 3.24Å; K308-N312 WeakPolarHBondContact O-CB 3.42Å; K308-N312 PolarHBondContact O-N 2.79Å; K308-N312 PolarHBondContact O-ND2 3.48Å
309	A	94.2	Very high	89.7	Confident	10 Å²	10	44.6 Å²	44.6	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-44.6	176.3	0	0	0	0	0	111.5	L293 T297 L305 L306 L307 F313	L293-A309 HydrophobicContact CD2-CB 3.9Å; T297-A309 HydrophobicContact CG2-CB 4.44Å; L305-A309 WeakPolarHBondContact O-CB 3.32Å; L305-A309 PolarHBondContact O-N 3.49Å; L306-A309 PolarHBondContact O-N 3.46Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 2.82Å; A309-F313 WeakPolarHBondContact O-CB 3.33Å; A309-F313 PolarHBondContact O-N 2.99Å
310	F	96.5	Very high	89.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-46.8	177.2	177.4	-119.3	0	0	0	113.4	F230 L293 L306 L307 N312 F313 Q314 A331 L333 C363 T364 I365	F230-F310 HydrophobicContact CB-CE2 3.91Å; F230-F310 HydrophobicContact CB-CZ 4.31Å; F230-F310 AromaticContact CD2-CE2 3.66Å; F230-F310 HydrophobicContact CD2-CE2 3.66Å; F230-F310 AromaticContact CD2-CZ 3.69Å; F230-F310 HydrophobicContact CD2-CZ 3.69Å; F230-F310 HydrophobicContact CE2-CE2 4.34Å; F230-F310 HydrophobicContact CE2-CZ 4.38Å; F230-F310 AromaticContact CG-CE2 3.86Å; F230-F310 HydrophobicContact CG-CE2 3.86Å; F230-F310 HydrophobicContact CG-CZ 4.27Å; L293-F310 HydrophobicContact CD2-CB 4.27Å; L306-F310 WeakPolarHBondContact O-CB 3.38Å; L306-F310 PolarHBondContact O-N 3.46Å; L307-F310 PolarHBondContact O-N 3.01Å; L307-F310 VanDerWaalsContact O-N 3.14Å; F310-N312 VanDerWaalsContact C-N 3.27Å; F310-N312 PolarHBondContact O-N 3.4Å; F310-F313 HydrophobicContact CD2-CD1 4.39Å; F310-F313 PolarHBondContact O-N 2.93Å; F310-Q314 HydrophobicContact CE2-CB 4.11Å; F310-Q314 HydrophobicContact CE2-CG 4.5Å; F310-Q314 HydrophobicContact CZ-CB 4.27Å; F310-Q314 HydrophobicContact CZ-CG 4.35Å; F310-Q314 WeakPolarHBondContact O-CG 3.37Å; F310-Q314 PolarHBondContact O-N 3.32Å; F310-A331 HydrophobicContact CE1-CB 3.98Å; F310-A331 HydrophobicContact CZ-CB 3.72Å; F310-L333 HydrophobicContact CB-CD2 4.03Å; F310-L333 HydrophobicContact CD1-CB 3.75Å; F310-L333 HydrophobicContact CD2-CB 3.86Å; F310-L333 HydrophobicContact CD2-CD1 4.29Å; F310-L333 HydrophobicContact CD2-CD2 3.95Å; F310-L333 HydrophobicContact CD2-CG 4.25Å; F310-L333 HydrophobicContact CE1-CB 3.65Å; F310-L333 HydrophobicContact CE2-CB 3.79Å; F310-L333 HydrophobicContact CE2-CD1 4.27Å; F310-L333 HydrophobicContact CE2-CG 4.44Å; F310-L333 HydrophobicContact CG-CB 3.85Å; F310-L333 HydrophobicContact CG-CD2 3.9Å; F310-L333 HydrophobicContact CG-CG 4.42Å; F310-L333 HydrophobicContact CZ-CB 3.67Å; F310-C363 HydrophobicContact CD1-CB 4.09Å; F310-C363 HydrophobicContact CE1-CB 4.17Å; F310-T364 WeakPolarHBondContact CE1-O 3.4Å; F310-I365 HydrophobicContact CB-CG2 4Å; F310-I365 HydrophobicContact CD1-CG2 3.77Å; F310-I365 HydrophobicContact CG-CG2 4.17Å
311	C	88.9	Confident	88.8	Confident	7 Å²	7	50.2 Å²	50.2	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-44	176.4	-60	0	0	0	0	111.6	L307 Q314 E315 C363	L307-C311 VanDerWaalsContact CD1-SG 3.54Å; L307-C311 WeakPolarHBondContact O-CB 3.44Å; L307-C311 PolarHBondContact O-N 3.17Å; L307-C311 PolarHBondContact O-SG 2.9Å; C311-Q314 WeakPolarHBondContact O-CG 3.28Å; C311-Q314 PolarHBondContact O-NE2 3.19Å; C311-E315 WeakPolarHBondContact O-CB 3.39Å; C311-E315 PolarHBondContact O-N 3.07Å; C311-E315 VanDerWaalsContact O-N 3.11Å; C311-C363 HydrophobicContact CB-CB 3.94Å; C311-C363 WeakPolarHBondContact CB-SG 3.45Å; C311-C363 WeakPolarHBondContact SG-CB 2.78Å; C311-C363 CovalentContact SG-SG 2.02Å; C311-C363 PolarHBondContact SG-SG 3.43Å
312	N	89.8	Confident	88.7	Confident	70 Å²	70	52.9 Å²	52.9	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-71.3	-30.2	176.1	-67.7	-33.1	0	0	0	113.4	K308 F310 K316	K308-N312 WeakPolarHBondContact O-CB 3.42Å; K308-N312 PolarHBondContact O-N 2.79Å; K308-N312 PolarHBondContact O-ND2 3.48Å; F310-N312 VanDerWaalsContact C-N 3.27Å; F310-N312 PolarHBondContact O-N 3.4Å; N312-K316 WeakPolarHBondContact O-CD 3.25Å; N312-K316 VanDerWaalsContact O-CG 3.27Å; N312-K316 WeakPolarHBondContact O-CG 3.43Å
313	F	95.7	Very high	88.3	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.053	28%	0.283	C	S	.	.	H	α-helix	trans	-74.9	-42.5	177.7	170	-99.8	0	0	0	112.2	F230 L286 P290 E292 L293 A309 F310 K317	F230-F313 HydrophobicContact CD1-CE1 4.06Å; F230-F313 HydrophobicContact CE1-CE1 4.04Å; L286-F313 HydrophobicContact CD1-CE1 3.87Å; L286-F313 HydrophobicContact CD1-CZ 4.17Å; L286-F313 HydrophobicContact CD2-CE1 4.09Å; L286-F313 HydrophobicContact CD2-CZ 3.81Å; P290-F313 HydrophobicContact CB-CD2 4.32Å; P290-F313 HydrophobicContact CB-CE2 3.73Å; P290-F313 HydrophobicContact CB-CZ 4.41Å; P290-F313 HydrophobicContact CG-CD2 3.96Å; P290-F313 HydrophobicContact CG-CE2 3.47Å; P290-F313 VanDerWaalsContact CG-CE2 3.47Å; P290-F313 HydrophobicContact CG-CZ 3.83Å; E292-F313 HydrophobicContact CB-CB 4.24Å; E292-F313 HydrophobicContact CB-CD2 4.16Å; L293-F313 HydrophobicContact CD1-CB 4.42Å; L293-F313 HydrophobicContact CD1-CD1 3.78Å; L293-F313 HydrophobicContact CD1-CE1 4.14Å; L293-F313 HydrophobicContact CD1-CG 3.99Å; L293-F313 HydrophobicContact CD2-CB 4.29Å; L293-F313 HydrophobicContact CG-CB 4.24Å; L293-F313 HydrophobicContact CG-CD1 4.45Å; L293-F313 HydrophobicContact CG-CG 4.17Å; A309-F313 WeakPolarHBondContact O-CB 3.33Å; A309-F313 PolarHBondContact O-N 2.99Å; F310-F313 HydrophobicContact CD2-CD1 4.39Å; F310-F313 PolarHBondContact O-N 2.93Å; F313-K317 HydrophobicContact CD1-CD 4.5Å; F313-K317 HydrophobicContact CD2-CD 4.34Å; F313-K317 HydrophobicContact CE1-CD 3.92Å; F313-K317 HydrophobicContact CE2-CD 3.73Å; F313-K317 HydrophobicContact CZ-CD 3.51Å; F313-K317 WeakPolarHBondContact O-CG 2.94Å
314	Q	93.9	Very high	88.1	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-72.6	-37	178.8	68.7	79.4	39.3	0	0	111.7	F230 F310 C311 K317 N318 W328 A331 P359	F230-Q314 HydrophobicContact CE2-CB 4.01Å; F230-Q314 HydrophobicContact CZ-CB 4.3Å; F310-Q314 HydrophobicContact CE2-CB 4.11Å; F310-Q314 HydrophobicContact CE2-CG 4.5Å; F310-Q314 HydrophobicContact CZ-CB 4.27Å; F310-Q314 HydrophobicContact CZ-CG 4.35Å; F310-Q314 WeakPolarHBondContact O-CG 3.37Å; F310-Q314 PolarHBondContact O-N 3.32Å; C311-Q314 WeakPolarHBondContact O-CG 3.28Å; C311-Q314 PolarHBondContact O-NE2 3.19Å; Q314-K317 CarbonylContact O-C 3.05Å; Q314-K317 WeakPolarHBondContact O-CA 3.01Å; Q314-K317 PolarHBondContact O-N 3.1Å; Q314-N318 PolarHBondContact O-N 2.75Å; Q314-W328 WeakPolarHBondContact O-CZ2 3.46Å; Q314-A331 HydrophobicContact CB-CB 3.85Å; Q314-A331 HydrophobicContact CG-CB 3.57Å; Q314-P359 PolarHBondContact NE2-O 3.12Å
315	E	89.3	Confident	88	Confident	59 Å²	59	56.1 Å²	56.1	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-51.9	-179.8	179.7	-88.2	166.4	0	0	111.4	C311 K317 N318 P359 F360	C311-E315 WeakPolarHBondContact O-CB 3.39Å; C311-E315 PolarHBondContact O-N 3.07Å; C311-E315 VanDerWaalsContact O-N 3.11Å; E315-K317 PolarHBondContact O-N 2.04Å; E315-N318 PolarHBondContact O-N 3.21Å; E315-P359 WeakPolarHBondContact CB-O 3.37Å; E315-P359 HydrophobicContact CG-CB 4.19Å; E315-F360 HydrophobicContact CG-CD1 3.78Å; E315-F360 HydrophobicContact CG-CE1 3.86Å; E315-F360 VanDerWaalsContact OE1-CE1 3.27Å; E315-F360 WeakPolarHBondContact OE1-CE1 3.12Å
316	K	91.8	Very high	87.6	Confident	127 Å²	127	59 Å²	59	55%	0.552	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.1	172.8	-71.3	171.8	175.5	177.7	0	115.3	E292 N312	E292-K316 IonicContact OE1-NZ 2.63Å; E292-K316 PolarHBondContact OE1-NZ 3.23Å; N312-K316 WeakPolarHBondContact O-CD 3.25Å; N312-K316 VanDerWaalsContact O-CG 3.27Å; N312-K316 WeakPolarHBondContact O-CG 3.43Å
317	K	91.5	Very high	87.4	Confident	71 Å²	71	59.5 Å²	59.5	31%	0.309	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-15.2	-178.5	-68.4	-175.6	63	166.2	0	113	E284 F313 Q314 E315 W328	E284-K317 IonicContact OE1-NZ 3.43Å; E284-K317 PolarHBondContact OE1-NZ 3.21Å; E284-K317 IonicContact OE2-NZ 3.95Å; E284-K317 PolarHBondContact OE2-NZ 3.06Å; F313-K317 HydrophobicContact CD1-CD 4.5Å; F313-K317 HydrophobicContact CD2-CD 4.34Å; F313-K317 HydrophobicContact CE1-CD 3.92Å; F313-K317 HydrophobicContact CE2-CD 3.73Å; F313-K317 HydrophobicContact CZ-CD 3.51Å; F313-K317 WeakPolarHBondContact O-CG 2.94Å; Q314-K317 CarbonylContact O-C 3.05Å; Q314-K317 WeakPolarHBondContact O-CA 3.01Å; Q314-K317 PolarHBondContact O-N 3.1Å; E315-K317 PolarHBondContact O-N 2.04Å; K317-W328 VanDerWaalsContact C-CH2 3.44Å; K317-W328 HydrophobicContact CB-CH2 4.17Å; K317-W328 HydrophobicContact CB-CZ2 4.48Å; K317-W328 VanDerWaalsContact O-CH2 3.23Å; K317-W328 WeakPolarHBondContact O-CH2 3.27Å
318	N	90.5	Very high	87.5	Confident	20 Å²	20	59.4 Å²	59.4	11%	0.107	29%	0.289	C	S	.	.	S	Bend	trans	-76.3	154.2	173.5	-158.9	-6.9	0	0	0	109.4	Q314 E315 H327 W328	Q314-N318 PolarHBondContact O-N 2.75Å; E315-N318 PolarHBondContact O-N 3.21Å; N318-H327 PolarHBondContact ND2-CE1 3.39Å; N318-H327 PolarHBondContact OD1-ND1 2.9Å; N318-H327 VanDerWaalsContact OD1-ND1 3.11Å; N318-W328 VanDerWaalsContact CA-CH2 3.49Å; N318-W328 HydrophobicContact CB-CD2 4.2Å; N318-W328 HydrophobicContact CB-CH2 3.99Å; N318-W328 HydrophobicContact CB-CZ2 3.58Å; N318-W328 HydrophobicContact CB-CZ3 4.4Å; N318-W328 PolarHBondContact ND2-NE1 2.89Å; N318-W328 PolarHBondContact ND2-O 2.78Å; N318-W328 PolarHBondContact OD1-N 3.27Å
319	V	86.3	Confident	87.9	Confident	26 Å²	26	53.1 Å²	53.1	16%	0.158	26%	0.262	C	S	.	.			trans	-83.2	137	167.7	-73.2	0	0	0	0	108.3	Y321 D324 R326 H327	V319-Y321 PolarHBondContact O-N 3.2Å; V319-Y321 VanDerWaalsContact O-N 3.17Å; V319-D324 HydrophobicContact CB-CB 4.25Å; V319-D324 HydrophobicContact CG2-CB 3.68Å; V319-R326 HydrophobicContact CG2-CB 4.22Å; V319-H327 VanDerWaalsContact CG2-CA 3.45Å; V319-H327 HydrophobicContact CG2-CB 3.84Å; V319-H327 VanDerWaalsContact CG2-N 3.32Å; V319-H327 PolarHBondContact O-CE1 2.89Å; V319-H327 PolarHBondContact O-ND1 3.39Å
320	P	79.9	Confident	88	Confident	110 Å²	110	52.7 Å²	52.7	71%	0.714	26%	0.258	S	S	*	.	S	Bend	trans	-76.7	-2	-170.2	31.3	-37.4	0	0	0	114.3
321	Y	81.9	Confident	88	Confident	161 Å²	161	52.7 Å²	52.7	63%	0.631	26%	0.258	S	S	*	.			trans	-111.9	118	-178	-59.2	-65.9	0	0	0	110.5	V319 N323 D324	V319-Y321 PolarHBondContact O-N 3.2Å; V319-Y321 VanDerWaalsContact O-N 3.17Å; Y321-N323 PolarHBondContact O-N 3Å; Y321-N323 VanDerWaalsContact O-N 3.16Å; Y321-D324 WeakPolarHBondContact O-CB 3.2Å; Y321-D324 PolarHBondContact O-N 2.88Å
322	D	84	Confident	88.4	Confident	56 Å²	56	52.3 Å²	52.3	30%	0.299	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-40.5	176.1	-155.8	62.7	0	0	0	112.7	C437	D322-C437 VanDerWaalsContact OD1-CA 3.27Å; D322-C437 WeakPolarHBondContact OD1-CA 3.49Å; D322-C437 VanDerWaalsContact OD1-CB 3.31Å; D322-C437 WeakPolarHBondContact OD1-CB 3.21Å; D322-C437 PolarHBondContact OD1-N 3.43Å; D322-C437 PolarHBondContact OD2-N 2.91Å
323	N	79.3	Confident	88.8	Confident	128 Å²	128	49.1 Å²	49.1	68%	0.684	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.9	-176.1	70.7	-30.7	0	0	0	115.2	Y321	Y321-N323 PolarHBondContact O-N 3Å; Y321-N323 VanDerWaalsContact O-N 3.16Å
324	D	79.2	Confident	88.8	Confident	33 Å²	33	48.5 Å²	48.5	18%	0.176	24%	0.236	C	C	.	.	S	Bend	trans	-78	128.4	170.5	-173.3	-56.5	0	0	0	108.8	V319 Y321 R326 H327	V319-D324 HydrophobicContact CB-CB 4.25Å; V319-D324 HydrophobicContact CG2-CB 3.68Å; Y321-D324 WeakPolarHBondContact O-CB 3.2Å; Y321-D324 PolarHBondContact O-N 2.88Å; D324-R326 PolarHBondContact O-N 2.79Å; D324-R326 WeakPolarHBondContact OD1-CB 3.36Å; D324-R326 WeakPolarHBondContact OD1-CG 3.32Å; D324-R326 IonicContact OD1-CZ 3.49Å; D324-R326 PolarHBondContact OD1-N 3.11Å; D324-R326 IonicContact OD1-NE 3.93Å; D324-R326 PolarHBondContact OD1-NE 3.38Å; D324-R326 IonicContact OD1-NH2 2.7Å; D324-R326 IonicContact OD2-CZ 2.68Å; D324-R326 IonicContact OD2-NE 3.78Å; D324-R326 IonicContact OD2-NH2 2.83Å; D324-R326 PolarHBondContact OD2-NH2 3.31Å; D324-H327 VanDerWaalsContact O-CB 3.27Å; D324-H327 WeakPolarHBondContact O-CB 3.23Å; D324-H327 PolarHBondContact O-N 2.97Å
325	P	78.9	Confident	88.7	Confident	61 Å²	61	48.5 Å²	48.5	40%	0.396	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-18.8	-178.7	-31.3	37.5	0	0	0	116	H89 K281	H89-P325 HydrophobicContact CB-CB 4.23Å; K281-P325 PolarHBondContact NZ-O 3.07Å
326	R	80.2	Confident	88.7	Confident	136 Å²	136	45.7 Å²	45.7	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.2	-179.1	-52.2	166.6	-66.8	169.8	0.7	113.5	V319 D324	V319-R326 HydrophobicContact CG2-CB 4.22Å; D324-R326 PolarHBondContact O-N 2.79Å; D324-R326 WeakPolarHBondContact OD1-CB 3.36Å; D324-R326 WeakPolarHBondContact OD1-CG 3.32Å; D324-R326 IonicContact OD1-CZ 3.49Å; D324-R326 PolarHBondContact OD1-N 3.11Å; D324-R326 IonicContact OD1-NE 3.93Å; D324-R326 PolarHBondContact OD1-NE 3.38Å; D324-R326 IonicContact OD1-NH2 2.7Å; D324-R326 IonicContact OD2-CZ 2.68Å; D324-R326 IonicContact OD2-NE 3.78Å; D324-R326 IonicContact OD2-NH2 2.83Å; D324-R326 PolarHBondContact OD2-NH2 3.31Å
327	H	88.3	Confident	88.5	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.065	20%	0.199	C	C	.	.			trans	-64.6	168.5	176.9	-165.9	63.5	0	0	0	111.8	K281 N318 V319 D324	K281-H327 VanDerWaalsContact CG-O 3.29Å; K281-H327 WeakPolarHBondContact CG-O 3.31Å; N318-H327 PolarHBondContact ND2-CE1 3.39Å; N318-H327 PolarHBondContact OD1-ND1 2.9Å; N318-H327 VanDerWaalsContact OD1-ND1 3.11Å; V319-H327 VanDerWaalsContact CG2-CA 3.45Å; V319-H327 HydrophobicContact CG2-CB 3.84Å; V319-H327 VanDerWaalsContact CG2-N 3.32Å; V319-H327 PolarHBondContact O-CE1 2.89Å; V319-H327 PolarHBondContact O-ND1 3.39Å; D324-H327 VanDerWaalsContact O-CB 3.27Å; D324-H327 WeakPolarHBondContact O-CB 3.23Å; D324-H327 PolarHBondContact O-N 2.97Å
328	W	92.6	Very high	87.9	Confident	9 Å²	9	39.7 Å²	39.7	3%	0.034	20%	0.2	C	C	.	.			trans	-151.4	133.1	162.4	57.6	84.2	0	0	0	110.3	E226 A228 F230 K281 K282 Q314 K317 N318 H330	E226-W328 CarbonylContact O-C 2.92Å; A228-W328 HydrophobicContact CB-CB 4.03Å; A228-W328 HydrophobicContact CB-CD2 3.41Å; A228-W328 VanDerWaalsContact CB-CD2 3.41Å; A228-W328 HydrophobicContact CB-CE3 3.99Å; A228-W328 HydrophobicContact CB-CG 3.44Å; A228-W328 VanDerWaalsContact CB-CG 3.44Å; A228-W328 HydrophobicContact CB-CZ2 4.21Å; F230-W328 HydrophobicContact CE2-CZ2 4.3Å; F230-W328 HydrophobicContact CZ-CH2 4.33Å; F230-W328 HydrophobicContact CZ-CZ2 4Å; K281-W328 HydrophobicContact CB-CB 4.43Å; K282-W328 HydrophobicContact CD-CE3 4.01Å; K282-W328 HydrophobicContact CD-CH2 3.62Å; K282-W328 HydrophobicContact CD-CZ2 4.45Å; K282-W328 HydrophobicContact CD-CZ3 3.39Å; Q314-W328 WeakPolarHBondContact O-CZ2 3.46Å; K317-W328 VanDerWaalsContact C-CH2 3.44Å; K317-W328 HydrophobicContact CB-CH2 4.17Å; K317-W328 HydrophobicContact CB-CZ2 4.48Å; K317-W328 VanDerWaalsContact O-CH2 3.23Å; K317-W328 WeakPolarHBondContact O-CH2 3.27Å; N318-W328 VanDerWaalsContact CA-CH2 3.49Å; N318-W328 HydrophobicContact CB-CD2 4.2Å; N318-W328 HydrophobicContact CB-CH2 3.99Å; N318-W328 HydrophobicContact CB-CZ2 3.58Å; N318-W328 HydrophobicContact CB-CZ3 4.4Å; N318-W328 PolarHBondContact ND2-NE1 2.89Å; N318-W328 PolarHBondContact ND2-O 2.78Å; N318-W328 PolarHBondContact OD1-N 3.27Å; W328-H330 PolarHBondContact O-N 2.98Å
329	D	93.3	Very high	87.3	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-58.2	-38.2	172.3	-56	-28.5	0	0	0	111.7	I225 E226 M356 S362 C437 L438	I225-D329 WeakPolarHBondContact CA-OD2 3.3Å; I225-D329 HydrophobicContact CG2-CB 4.41Å; E226-D329 HydrophobicContact CB-CB 4.34Å; E226-D329 PolarHBondContact N-OD2 3.28Å; E226-D329 WeakPolarHBondContact O-CA 3.22Å; E226-D329 WeakPolarHBondContact O-CB 3.46Å; E226-D329 PolarHBondContact O-N 2.81Å; D329-M356 HydrophobicContact CB-SD 4.43Å; D329-S362 WeakPolarHBondContact O-CB 3.35Å; D329-S362 PolarHBondContact O-OG 3.15Å; D329-C437 VanDerWaalsContact OD1-CB 3.23Å; D329-C437 WeakPolarHBondContact OD1-CB 3.21Å; D329-L438 HydrophobicContact CB-CD2 4.18Å; D329-L438 WeakPolarHBondContact OD2-CD2 3.46Å
330	H	96.1	Very high	86.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.6	-163.8	-162.7	70.3	0	0	0	113.6	I225 E226 T227 A228 W328 M356 S362 T364 S384	I225-H330 HydrophobicContact CG2-CB 3.85Å; E226-H330 PolarHBondContact O-N 3.37Å; T227-H330 CarbonylContact C-O 3.54Å; T227-H330 WeakPolarHBondContact CA-O 2.99Å; A228-H330 PolarHBondContact N-O 2.98Å; W328-H330 PolarHBondContact O-N 2.98Å; H330-M356 HydrophobicContact CB-CE 4.17Å; H330-M356 HydrophobicContact CB-SD 3.78Å; H330-S362 WeakPolarHBondContact CA-O 3.36Å; H330-S362 WeakPolarHBondContact CA-OG 3.31Å; H330-S362 VanDerWaalsContact ND1-C 3.32Å; H330-S362 PolarHBondContact ND1-O 3.36Å; H330-S362 PolarHBondContact ND1-OG 3.24Å; H330-T364 WeakPolarHBondContact NE2-CG2 3.43Å; H330-T364 PolarHBondContact NE2-OG1 2.84Å; H330-T364 VanDerWaalsContact NE2-OG1 3.15Å; H330-S384 PolarHBondContact CE1-OG 2.82Å
331	A	96.7	Very high	86.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	178.1	0	0	0	0	0	112.3	A228 F230 F310 Q314 S362 C363 T364	A228-A331 CarbonylContact O-C 3.59Å; A228-A331 WeakPolarHBondContact O-CA 3.35Å; F230-A331 HydrophobicContact CD2-CB 4.46Å; F230-A331 HydrophobicContact CE2-CB 4.2Å; F310-A331 HydrophobicContact CE1-CB 3.98Å; F310-A331 HydrophobicContact CZ-CB 3.72Å; Q314-A331 HydrophobicContact CB-CB 3.85Å; Q314-A331 HydrophobicContact CG-CB 3.57Å; A331-S362 PolarHBondContact N-O 3.04Å; A331-C363 CarbonylContact O-C 3.54Å; A331-C363 VanDerWaalsContact O-CA 3.31Å; A331-C363 WeakPolarHBondContact O-CA 3.31Å; A331-T364 PolarHBondContact O-N 2.91Å; A331-T364 PolarHBondContact O-OG1 2.89Å
332	I	97.9	Very high	86	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.7	-179.9	-48.6	-176.5	0	0	0	109.3	T227 A228 L229 F230 M278 F334 T364 N366 I377 M381	T227-I332 HydrophobicContact CG2-CD1 3.61Å; T227-I332 HydrophobicContact CG2-CG1 3.78Å; A228-I332 PolarHBondContact O-N 3.25Å; L229-I332 HydrophobicContact CD2-CB 4.04Å; L229-I332 HydrophobicContact CD2-CD1 3.9Å; L229-I332 HydrophobicContact CD2-CG1 4.14Å; F230-I332 PolarHBondContact N-O 2.95Å; M278-I332 HydrophobicContact CE-CD1 3.87Å; I332-F334 HydrophobicContact CG2-CD2 4.34Å; I332-F334 HydrophobicContact CG2-CE2 3.97Å; I332-T364 WeakPolarHBondContact CG1-OG1 3.34Å; I332-N366 WeakPolarHBondContact CG2-OD1 3.43Å; I332-I377 HydrophobicContact CD1-CG2 3.9Å; I332-I377 HydrophobicContact CG2-CD1 4.38Å; I332-I377 HydrophobicContact CG2-CG1 4.32Å; I332-I377 HydrophobicContact CG2-CG2 4.39Å; I332-M381 HydrophobicContact CD1-SD 4.04Å
333	L	97.3	Very high	84.9	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.9	173.2	-179	64	0	0	0	111.6	F230 D232 L306 F310 T335 T364 I365 N366	F230-L333 HydrophobicContact CB-CD1 3.96Å; F230-L333 WeakPolarHBondContact O-CA 3.45Å; D232-L333 HydrophobicContact CB-CD1 4.46Å; L306-L333 HydrophobicContact CD1-CD2 4.17Å; F310-L333 HydrophobicContact CB-CD2 4.03Å; F310-L333 HydrophobicContact CD1-CB 3.75Å; F310-L333 HydrophobicContact CD2-CB 3.86Å; F310-L333 HydrophobicContact CD2-CD1 4.29Å; F310-L333 HydrophobicContact CD2-CD2 3.95Å; F310-L333 HydrophobicContact CD2-CG 4.25Å; F310-L333 HydrophobicContact CE1-CB 3.65Å; F310-L333 HydrophobicContact CE2-CB 3.79Å; F310-L333 HydrophobicContact CE2-CD1 4.27Å; F310-L333 HydrophobicContact CE2-CG 4.44Å; F310-L333 HydrophobicContact CG-CB 3.85Å; F310-L333 HydrophobicContact CG-CD2 3.9Å; F310-L333 HydrophobicContact CG-CG 4.42Å; F310-L333 HydrophobicContact CZ-CB 3.67Å; L333-T335 PolarHBondContact O-N 3.05Å; L333-T364 PolarHBondContact N-O 2.63Å; L333-I365 HydrophobicContact CB-CG2 4.09Å; L333-I365 HydrophobicContact CD2-CG2 4.11Å; L333-N366 PolarHBondContact O-N 3.21Å; L333-N366 VanDerWaalsContact O-O 3.07Å; L333-N366 PolarHBondContact O-OD1 3.27Å
334	F	95.4	Very high	84	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	104.1	162.7	-66.5	-100.2	0	0	0	108.6	L229 F230 V231 D232 T235 F255 V256 V259 V260 I332 I377	L229-F334 HydrophobicContact CD2-CE2 4.43Å; F230-F334 PolarHBondContact O-N 3.39Å; V231-F334 HydrophobicContact CG1-CB 4.33Å; V231-F334 HydrophobicContact CG2-CB 4.2Å; D232-F334 PolarHBondContact N-O 3.4Å; D232-F334 VanDerWaalsContact N-O 3.09Å; T235-F334 PolarHBondContact OG1-O 2.82Å; F255-F334 HydrophobicContact CE1-CD1 4.12Å; F255-F334 HydrophobicContact CE1-CE1 4.22Å; V256-F334 HydrophobicContact CG1-CD2 4.4Å; V256-F334 HydrophobicContact CG1-CE2 3.84Å; V256-F334 HydrophobicContact CG1-CZ 4.07Å; V256-F334 HydrophobicContact CG2-CD1 4.28Å; V256-F334 HydrophobicContact CG2-CD2 4.26Å; V256-F334 HydrophobicContact CG2-CE1 4.29Å; V256-F334 HydrophobicContact CG2-CE2 4.29Å; V256-F334 HydrophobicContact CG2-CG 4.27Å; V256-F334 HydrophobicContact CG2-CZ 4.31Å; V259-F334 HydrophobicContact CB-CE1 4.15Å; V259-F334 HydrophobicContact CB-CZ 4.25Å; V259-F334 HydrophobicContact CG1-CE1 3.84Å; V259-F334 HydrophobicContact CG1-CZ 3.9Å; V259-F334 HydrophobicContact CG2-CE1 4.38Å; V260-F334 HydrophobicContact CG2-CZ 4.31Å; I332-F334 HydrophobicContact CG2-CD2 4.34Å; I332-F334 HydrophobicContact CG2-CE2 3.97Å; F334-I377 HydrophobicContact CE1-CD1 3.87Å; F334-I377 HydrophobicContact CZ-CD1 3.78Å
335	T	93.2	Very high	83	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145	178.9	-177	0	0	0	0	113.5	D232 L306 L333 H337 I339 N366 G368	D232-T335 VanDerWaalsContact OD2-CA 3.23Å; D232-T335 WeakPolarHBondContact OD2-CA 3.41Å; D232-T335 WeakPolarHBondContact OD2-CB 3.33Å; D232-T335 PolarHBondContact OD2-OG1 3.47Å; L306-T335 HydrophobicContact CD2-CG2 4.12Å; L333-T335 PolarHBondContact O-N 3.05Å; T335-H337 VanDerWaalsContact C-N 3.34Å; T335-H337 WeakPolarHBondContact OG1-CB 3.29Å; T335-H337 PolarHBondContact OG1-CD2 3.1Å; T335-H337 PolarHBondContact OG1-N 3.04Å; T335-H337 VanDerWaalsContact OG1-N 3.14Å; T335-I339 HydrophobicContact CG2-CD1 3.6Å; T335-I339 HydrophobicContact CG2-CG1 3.98Å; T335-N366 VanDerWaalsContact CG2-O 3.3Å; T335-N366 WeakPolarHBondContact CG2-O 3.41Å; T335-N366 PolarHBondContact N-O 2.69Å; T335-G368 PolarHBondContact O-N 3.16Å
336	G	89.4	Confident	82.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.			trans	-92.9	1.7	174.8	0	0	0	0	0	112.9	D232 R234 T235 R238	D232-G336 VanDerWaalsContact CG-N 3.26Å; D232-G336 PolarHBondContact OD1-N 2.89Å; D232-G336 PolarHBondContact OD2-N 2.99Å; R234-G336 VanDerWaalsContact CD-C 3.43Å; R234-G336 WeakPolarHBondContact CD-O 3.36Å; R234-G336 WeakPolarHBondContact CG-O 3.39Å; R234-G336 PolarHBondContact NE-O 3.03Å; T235-G336 WeakPolarHBondContact OG1-CA 3.2Å; T235-G336 PolarHBondContact OG1-N 3.45Å; R238-G336 VanDerWaalsContact CZ-O 3.23Å; R238-G336 VanDerWaalsContact NH1-CA 3.26Å; R238-G336 PolarHBondContact NH1-O 3.14Å; R238-G336 PolarHBondContact NH2-O 2.84Å
337	H	86.9	Confident	81.2	Confident	11 Å²	11	30.5 Å²	30.5	5%	0.051	17%	0.171	C	C	.	.	S	Bend	trans	-68.4	174.4	171.5	-73.5	-97.3	0	0	0	110.9	D232 R234 D295 H298 H300 T335	D232-H337 IonicContact OD2-CD2 3.29Å; D232-H337 PolarHBondContact OD2-CD2 2.85Å; R234-H337 WeakPolarHBondContact CD-NE2 3.43Å; D295-H337 IonicContact OD2-CE1 3.58Å; H298-H337 AromaticContact CE1-CE1 3.76Å; H298-H337 AromaticContact CE1-ND1 3.91Å; H300-H337 PolarHBondContact O-ND1 2.82Å; T335-H337 VanDerWaalsContact C-N 3.34Å; T335-H337 WeakPolarHBondContact OG1-CB 3.29Å; T335-H337 PolarHBondContact OG1-CD2 3.1Å; T335-H337 PolarHBondContact OG1-N 3.04Å; T335-H337 VanDerWaalsContact OG1-N 3.14Å
338	D	79.1	Confident	80.6	Confident	62 Å²	62	32 Å²	32	33%	0.332	19%	0.187	S	C	.	.			trans	-118.6	94.3	-179.7	168.2	-15.7	0	0	0	102.6	K345 E367	D338-K345 VanDerWaalsContact CG-NZ 3.28Å; D338-K345 WeakPolarHBondContact OD1-CD 3.42Å; D338-K345 VanDerWaalsContact OD1-CE 3.26Å; D338-K345 WeakPolarHBondContact OD1-CE 3.47Å; D338-K345 WeakPolarHBondContact OD1-CG 3.23Å; D338-K345 IonicContact OD1-NZ 2.83Å; D338-K345 PolarHBondContact OD1-NZ 2.88Å; D338-K345 WeakPolarHBondContact OD2-CE 3.3Å; D338-K345 IonicContact OD2-NZ 2.94Å; D338-K345 PolarHBondContact OD2-NZ 3.15Å; D338-E367 WeakPolarHBondContact CA-OE1 3.2Å
339	I	78.7	Confident	80.1	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.187	C	C	.	.			trans	-78.8	133.2	-161.1	-60.3	172.2	0	0	0	109.1	G301 A303 L306 T335 V347 I365 E367	G301-I339 WeakPolarHBondContact O-CA 3.34Å; A303-I339 HydrophobicContact CB-CG2 3.82Å; L306-I339 HydrophobicContact CD2-CG1 4.5Å; T335-I339 HydrophobicContact CG2-CD1 3.6Å; T335-I339 HydrophobicContact CG2-CG1 3.98Å; I339-V347 WeakPolarHBondContact CB-O 3.33Å; I339-V347 HydrophobicContact CG2-CB 4.17Å; I339-V347 HydrophobicContact CG2-CG1 3.96Å; I339-V347 WeakPolarHBondContact CG2-O 3.24Å; I339-I365 HydrophobicContact CD1-CD1 4.33Å; I339-E367 HydrophobicContact CB-CG 4.44Å; I339-E367 HydrophobicContact CD1-CG 3.78Å; I339-E367 HydrophobicContact CG1-CG 3.92Å; I339-E367 PolarHBondContact N-OE1 3.44Å
340	Y	77.2	Confident	79.7	Confident	58 Å²	58	32.7 Å²	32.7	23%	0.227	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-137.7	154.5	-176.3	75	-90.1	0	0	0	112.2	A299 G301 E302 A303 L344	A299-Y340 PolarHBondContact O-OH 2.88Å; G301-Y340 WeakPolarHBondContact O-CD1 3.32Å; G301-Y340 PolarHBondContact O-N 3.18Å; E302-Y340 CarbonylContact C-O 3.35Å; E302-Y340 WeakPolarHBondContact CA-O 3.27Å; E302-Y340 HydrophobicContact CB-CE1 4.22Å; E302-Y340 HydrophobicContact CB-CE2 4.03Å; E302-Y340 HydrophobicContact CG-CD2 4.42Å; E302-Y340 HydrophobicContact CG-CE2 3.87Å; A303-Y340 PolarHBondContact N-O 2.53Å; Y340-L344 VanDerWaalsContact CA-O 3.27Å; Y340-L344 WeakPolarHBondContact CA-O 3.45Å; Y340-L344 WeakPolarHBondContact CB-O 3.4Å
341	S	72.6	Confident	79.2	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.042	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-138.9	140.6	168.4	-172.2	0	0	0	0	109.7	E302 G343 L344	E302-S341 PolarHBondContact OE1-OG 2.79Å; S341-G343 PolarHBondContact O-N 3.06Å; S341-L344 PolarHBondContact N-O 3.16Å; S341-L344 VanDerWaalsContact N-O 3.12Å; S341-L344 PolarHBondContact O-N 3.15Å
342	N	69	Low	78.2	Confident	142 Å²	142	34.1 Å²	34.1	76%	0.759	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.1	-174.7	-62.9	-64.9	0	0	0	114.2	L344	N342-L344 VanDerWaalsContact C-N 3.3Å; N342-L344 PolarHBondContact O-N 2.83Å
343	G	62	Low	77.2	Confident	60 Å²	60	35.8 Å²	35.8	62%	0.619	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	-4.5	-176.3	0	0	0	0	0	115.7	S341	S341-G343 PolarHBondContact O-N 3.06Å
344	L	59.7	Low	76.3	Confident	97 Å²	97	37.1 Å²	37.1	51%	0.508	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-93	119	179.8	-63.1	176.3	0	0	0	111.5	L189 Y340 S341 N342 A346	L189-L344 HydrophobicContact CD1-CB 3.96Å; L189-L344 HydrophobicContact CD1-CD1 4.13Å; L189-L344 HydrophobicContact CD2-CD1 4.38Å; Y340-L344 VanDerWaalsContact CA-O 3.27Å; Y340-L344 WeakPolarHBondContact CA-O 3.45Å; Y340-L344 WeakPolarHBondContact CB-O 3.4Å; S341-L344 PolarHBondContact N-O 3.16Å; S341-L344 VanDerWaalsContact N-O 3.12Å; S341-L344 PolarHBondContact O-N 3.15Å; N342-L344 VanDerWaalsContact C-N 3.3Å; N342-L344 PolarHBondContact O-N 2.83Å; L344-A346 VanDerWaalsContact C-N 3.28Å; L344-A346 PolarHBondContact O-N 3.29Å; L344-A346 VanDerWaalsContact O-N 3.15Å
345	K	58.8	Low	75.4	Confident	125 Å²	125	37.1 Å²	37.1	54%	0.543	23%	0.225	S	C	.	.			trans	-86.2	63.4	175.9	-70.8	176.6	159.3	-158.6	0	111.5	D338	D338-K345 VanDerWaalsContact CG-NZ 3.28Å; D338-K345 WeakPolarHBondContact OD1-CD 3.42Å; D338-K345 VanDerWaalsContact OD1-CE 3.26Å; D338-K345 WeakPolarHBondContact OD1-CE 3.47Å; D338-K345 WeakPolarHBondContact OD1-CG 3.23Å; D338-K345 IonicContact OD1-NZ 2.83Å; D338-K345 PolarHBondContact OD1-NZ 2.88Å; D338-K345 WeakPolarHBondContact OD2-CE 3.3Å; D338-K345 IonicContact OD2-NZ 2.94Å; D338-K345 PolarHBondContact OD2-NZ 3.15Å
346	A	59.2	Low	75.2	Confident	37 Å²	37	37.3 Å²	37.3	31%	0.306	23%	0.226	S	C	.	.			trans	-133.4	15.6	-177.3	0	0	0	0	0	112.3	L344	L344-A346 VanDerWaalsContact C-N 3.28Å; L344-A346 PolarHBondContact O-N 3.29Å; L344-A346 VanDerWaalsContact O-N 3.15Å
347	V	62.6	Low	74.9	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.067	24%	0.236	C	C	.	.			trans	-112.9	93.7	-172.5	180	0	0	0	0	108.3	L189 A303 I339 G349 F350	L189-V347 HydrophobicContact CB-CG2 4.26Å; L189-V347 HydrophobicContact CD1-CG2 3.76Å; A303-V347 HydrophobicContact CB-CG1 4.11Å; I339-V347 WeakPolarHBondContact CB-O 3.33Å; I339-V347 HydrophobicContact CG2-CB 4.17Å; I339-V347 HydrophobicContact CG2-CG1 3.96Å; I339-V347 WeakPolarHBondContact CG2-O 3.24Å; V347-G349 WeakPolarHBondContact CG1-O 3.43Å; V347-G349 PolarHBondContact O-N 3.4Å; V347-F350 HydrophobicContact CG1-CD2 4.22Å
348	A	74.8	Confident	74.6	Confident	47 Å²	47	41.3 Å²	41.3	39%	0.388	25%	0.25	S	C	.	.	S	Bend	trans	-74.9	-13.2	-176.6	0	0	0	0	0	114.2	N366 E367 V376	A348-N366 WeakPolarHBondContact O-CA 3.3Å; A348-E367 PolarHBondContact O-N 2.83Å; A348-V376 HydrophobicContact CB-CG1 4.23Å; A348-V376 HydrophobicContact CB-CG2 3.77Å
349	G	82.8	Confident	74.4	Confident	5 Å²	5	41 Å²	41	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	172.4	178.8	0	0	0	0	0	111.4	V347 I365	V347-G349 WeakPolarHBondContact CG1-O 3.43Å; V347-G349 PolarHBondContact O-N 3.4Å; G349-I365 CarbonylContact C-O 3.59Å; G349-I365 WeakPolarHBondContact CA-O 2.99Å
350	F	84.7	Confident	74.1	Confident	21 Å²	21	46.7 Å²	46.7	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	139.7	-177.1	-151.5	-120.1	0	0	0	111.9	H190 A303 E304 L307 V347 I365 E380	H190-F350 AromaticContact CE1-CD2 3.34Å; H190-F350 WeakPolarHBondContact CE1-CD2 3.24Å; H190-F350 AromaticContact CE1-CE2 3.2Å; H190-F350 WeakPolarHBondContact CE1-CE2 3.25Å; H190-F350 AromaticContact CE1-CZ 3.82Å; H190-F350 AromaticContact ND1-CD2 3.9Å; H190-F350 AromaticContact ND1-CE2 3.26Å; H190-F350 VanDerWaalsContact ND1-CE2 3.26Å; H190-F350 WeakPolarHBondContact ND1-CE2 3.41Å; H190-F350 AromaticContact ND1-CZ 3.75Å; H190-F350 AromaticContact NE2-CD2 3.86Å; A303-F350 HydrophobicContact CB-CB 4.31Å; A303-F350 HydrophobicContact CB-CD1 4.14Å; A303-F350 HydrophobicContact CB-CD2 4.33Å; A303-F350 HydrophobicContact CB-CG 4.04Å; E304-F350 HydrophobicContact CG-CE1 3.85Å; E304-F350 HydrophobicContact CG-CZ 4.14Å; L307-F350 HydrophobicContact CB-CD1 4.15Å; L307-F350 HydrophobicContact CD2-CD1 3.47Å; L307-F350 VanDerWaalsContact CD2-CD1 3.47Å; L307-F350 HydrophobicContact CD2-CE1 4.09Å; L307-F350 HydrophobicContact CD2-CG 4.35Å; L307-F350 HydrophobicContact CG-CD1 4.45Å; V347-F350 HydrophobicContact CG1-CD2 4.22Å; F350-I365 HydrophobicContact CB-CD1 4.05Å; F350-I365 HydrophobicContact CB-CG1 3.76Å; F350-I365 PolarHBondContact N-O 2.97Å; F350-I365 WeakPolarHBondContact O-CG1 3.08Å; F350-I365 PolarHBondContact O-N 3.36Å; F350-E380 WeakPolarHBondContact CA-OE2 3.22Å; F350-E380 PolarHBondContact N-OE2 3.47Å
351	A	85.6	Confident	74.2	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.025	29%	0.289	C	S	.	.			trans	-151.6	161.6	173.8	0	0	0	0	0	115.4	T364 E380	A351-T364 HydrophobicContact CB-CG2 3.62Å; A351-E380 HydrophobicContact CB-CB 3.83Å; A351-E380 WeakPolarHBondContact CB-O 3.3Å; A351-E380 PolarHBondContact N-OE2 3.44Å
352	P	75.1	Confident	74.9	Confident	27 Å²	27	49.1 Å²	49.1	18%	0.175	29%	0.287	C	S	.	.			trans	-78.2	125.1	175.3	-14.3	32.6	0	0	0	112	L307 G354 G355 K361 C363	L307-P352 HydrophobicContact CD2-CG 4.04Å; P352-G354 PolarHBondContact O-N 3.37Å; P352-G355 PolarHBondContact O-N 2.87Å; P352-K361 HydrophobicContact CB-CB 4.05Å; P352-K361 HydrophobicContact CB-CD 4.46Å; P352-K361 HydrophobicContact CB-CG 4.47Å; P352-K361 WeakPolarHBondContact CD-O 3.49Å; P352-K361 HydrophobicContact CG-CB 4.1Å; P352-K361 VanDerWaalsContact CG-O 3.31Å; P352-K361 WeakPolarHBondContact CG-O 3.41Å; P352-C363 WeakPolarHBondContact CD-O 3.15Å
353	V	77.1	Confident	75.9	Confident	35 Å²	35	42.3 Å²	42.3	21%	0.212	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	126.7	175.9	-174.3	0	0	0	0	110.9	F192 L195 G355 H383 M388	F192-V353 HydrophobicContact CE1-CG2 4.15Å; L195-V353 HydrophobicContact CD1-CB 3.97Å; L195-V353 HydrophobicContact CD1-CG2 3.76Å; V353-G355 VanDerWaalsContact C-N 3.28Å; V353-G355 PolarHBondContact O-N 2.91Å; V353-H383 CarbonylContact C-O 3.57Å; V353-H383 VanDerWaalsContact CA-O 3.27Å; V353-H383 WeakPolarHBondContact CA-O 3.33Å; V353-H383 HydrophobicContact CG2-CB 4.25Å; V353-M388 HydrophobicContact CG1-SD 4.08Å
354	G	78.7	Confident	77.5	Confident	31 Å²	31	39.5 Å²	39.5	32%	0.32	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	24	-176	0	0	0	0	0	114	P352 H383 S384	P352-G354 PolarHBondContact O-N 3.37Å; G354-H383 PolarHBondContact N-O 3.19Å; G354-S384 CarbonylContact C-O 3.33Å; G354-S384 VanDerWaalsContact C-O 3.27Å; G354-S384 VanDerWaalsContact CA-O 3.27Å; G354-S384 WeakPolarHBondContact CA-O 3.32Å
355	G	77.1	Confident	79.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.			trans	-76.6	-14.7	-179.3	0	0	0	0	0	116	P352 V353 N358 K361 S362 S384	P352-G355 PolarHBondContact O-N 2.87Å; V353-G355 VanDerWaalsContact C-N 3.28Å; V353-G355 PolarHBondContact O-N 2.91Å; G355-N358 WeakPolarHBondContact O-CB 3.43Å; G355-N358 PolarHBondContact O-N 3.03Å; G355-K361 WeakPolarHBondContact CA-O 3.44Å; G355-K361 CarbonylContact O-C 3.59Å; G355-S362 WeakPolarHBondContact O-CA 3.21Å; G355-S362 VanDerWaalsContact O-CB 3.24Å; G355-S362 WeakPolarHBondContact O-CB 3.38Å; G355-S362 PolarHBondContact O-N 3.41Å; G355-S362 VanDerWaalsContact O-N 3.15Å; G355-S384 PolarHBondContact N-O 3.39Å; G355-S384 VanDerWaalsContact N-O 3.1Å
356	M	87.9	Confident	80.6	Confident	5 Å²	5	29 Å²	29	3%	0.025	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	137.7	-174.4	-171.4	62	70.1	0	0	112.4	I225 D329 H330 N358 S362 M381 S384 L385 F424 L438	I225-M356 HydrophobicContact CD1-CE 4.22Å; I225-M356 HydrophobicContact CG2-CE 3.97Å; I225-M356 HydrophobicContact CG2-SD 3.89Å; D329-M356 HydrophobicContact CB-SD 4.43Å; H330-M356 HydrophobicContact CB-CE 4.17Å; H330-M356 HydrophobicContact CB-SD 3.78Å; M356-N358 PolarHBondContact O-N 3.16Å; M356-N358 VanDerWaalsContact O-N 3.13Å; M356-S362 WeakPolarHBondContact CA-OG 3.48Å; M356-M381 HydrophobicContact CE-CE 4.34Å; M356-S384 VanDerWaalsContact CB-O 3.25Å; M356-S384 WeakPolarHBondContact CB-O 3.46Å; M356-S384 PolarHBondContact N-O 2.89Å; M356-L385 HydrophobicContact CB-CD2 4.3Å; M356-L385 HydrophobicContact CE-CD2 4.25Å; M356-L385 HydrophobicContact CE-CG 4.16Å; M356-L385 HydrophobicContact CG-CD2 3.97Å; M356-F424 HydrophobicContact CB-CE1 3.92Å; M356-F424 HydrophobicContact CB-CZ 3.8Å; M356-F424 HydrophobicContact CG-CE1 4.47Å; M356-L438 HydrophobicContact CG-CD1 4.24Å; M356-L438 HydrophobicContact CG-CD2 3.97Å; M356-L438 HydrophobicContact SD-CD2 4.25Å
357	C	84.3	Confident	81.8	Confident	31 Å²	31	29.1 Å²	29.1	21%	0.209	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	7.3	-172.2	-48.1	0	0	0	0	117.1	P359 S362 L428 C437 L438	C357-P359 WeakPolarHBondContact O-CD 3.37Å; C357-S362 PolarHBondContact N-OG 3.14Å; C357-L428 HydrophobicContact CB-CD1 4.34Å; C357-C437 HydrophobicContact CB-CB 3.73Å; C357-C437 WeakPolarHBondContact CB-SG 3.36Å; C357-C437 WeakPolarHBondContact SG-CB 2.98Å; C357-C437 CovalentContact SG-SG 2.03Å; C357-C437 PolarHBondContact SG-SG 3.34Å; C357-L438 WeakPolarHBondContact SG-CD2 3.27Å
358	N	79.1	Confident	82.5	Confident	64 Å²	64	28.7 Å²	28.7	34%	0.342	16%	0.164	S	C	.	.			trans	-92.2	116.7	170.2	-174.5	-76.8	0	0	0	108.8	G355 M356 F360 K361 S362	G355-N358 WeakPolarHBondContact O-CB 3.43Å; G355-N358 PolarHBondContact O-N 3.03Å; M356-N358 PolarHBondContact O-N 3.16Å; M356-N358 VanDerWaalsContact O-N 3.13Å; N358-F360 PolarHBondContact O-N 2.73Å; N358-F360 PolarHBondContact OD1-N 3.22Å; N358-K361 HydrophobicContact CB-CB 4.07Å; N358-K361 CarbonylContact O-C 3.57Å; N358-K361 PolarHBondContact O-N 3.26Å; N358-K361 PolarHBondContact OD1-N 3.22Å; N358-S362 VanDerWaalsContact O-CB 3.3Å; N358-S362 WeakPolarHBondContact O-CB 3.19Å; N358-S362 PolarHBondContact O-N 3.24Å
359	P	75	Confident	82.2	Confident	56 Å²	56	29.5 Å²	29.5	36%	0.364	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.6	-174.1	-30.8	36.8	0	0	0	114.5	Q314 E315 C357	Q314-P359 PolarHBondContact NE2-O 3.12Å; E315-P359 WeakPolarHBondContact CB-O 3.37Å; E315-P359 HydrophobicContact CG-CB 4.19Å; C357-P359 WeakPolarHBondContact O-CD 3.37Å
360	F	73.4	Confident	81.6	Confident	120 Å²	120	33 Å²	33	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.2	-179.6	-48.6	-76.7	0	0	0	114.6	E315 N358	E315-F360 HydrophobicContact CG-CD1 3.78Å; E315-F360 HydrophobicContact CG-CE1 3.86Å; E315-F360 VanDerWaalsContact OE1-CE1 3.27Å; E315-F360 WeakPolarHBondContact OE1-CE1 3.12Å; N358-F360 PolarHBondContact O-N 2.73Å; N358-F360 PolarHBondContact OD1-N 3.22Å
361	K	78.2	Confident	80.9	Confident	112 Å²	112	32.1 Å²	32.1	49%	0.487	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-5.2	-172.7	-61.2	-173.8	177.2	-171.3	0	115.4	P352 G355 N358 C363	P352-K361 HydrophobicContact CB-CB 4.05Å; P352-K361 HydrophobicContact CB-CD 4.46Å; P352-K361 HydrophobicContact CB-CG 4.47Å; P352-K361 WeakPolarHBondContact CD-O 3.49Å; P352-K361 HydrophobicContact CG-CB 4.1Å; P352-K361 VanDerWaalsContact CG-O 3.31Å; P352-K361 WeakPolarHBondContact CG-O 3.41Å; G355-K361 WeakPolarHBondContact CA-O 3.44Å; G355-K361 CarbonylContact O-C 3.59Å; N358-K361 HydrophobicContact CB-CB 4.07Å; N358-K361 CarbonylContact O-C 3.57Å; N358-K361 PolarHBondContact O-N 3.26Å; N358-K361 PolarHBondContact OD1-N 3.22Å; K361-C363 VanDerWaalsContact CA-SG 3.57Å; K361-C363 PolarHBondContact O-N 3.1Å; K361-C363 PolarHBondContact O-SG 2.74Å; K361-C363 VanDerWaalsContact O-SG 3.39Å
362	S	88.3	Confident	80.2	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.014	18%	0.182	C	C	.	.			trans	-85	65.6	178.7	-158.4	0	0	0	0	110.2	D329 H330 A331 G355 M356 C357 N358	D329-S362 WeakPolarHBondContact O-CB 3.35Å; D329-S362 PolarHBondContact O-OG 3.15Å; H330-S362 WeakPolarHBondContact CA-O 3.36Å; H330-S362 WeakPolarHBondContact CA-OG 3.31Å; H330-S362 VanDerWaalsContact ND1-C 3.32Å; H330-S362 PolarHBondContact ND1-O 3.36Å; H330-S362 PolarHBondContact ND1-OG 3.24Å; A331-S362 PolarHBondContact N-O 3.04Å; G355-S362 WeakPolarHBondContact O-CA 3.21Å; G355-S362 VanDerWaalsContact O-CB 3.24Å; G355-S362 WeakPolarHBondContact O-CB 3.38Å; G355-S362 PolarHBondContact O-N 3.41Å; G355-S362 VanDerWaalsContact O-N 3.15Å; M356-S362 WeakPolarHBondContact CA-OG 3.48Å; C357-S362 PolarHBondContact N-OG 3.14Å; N358-S362 VanDerWaalsContact O-CB 3.3Å; N358-S362 WeakPolarHBondContact O-CB 3.19Å; N358-S362 PolarHBondContact O-N 3.24Å
363	C	90.3	Very high	80.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	132.4	-168.9	38.7	0	0	0	0	109.1	L307 F310 C311 A331 P352 K361	L307-C363 HydrophobicContact CD1-CB 4.31Å; F310-C363 HydrophobicContact CD1-CB 4.09Å; F310-C363 HydrophobicContact CE1-CB 4.17Å; C311-C363 HydrophobicContact CB-CB 3.94Å; C311-C363 WeakPolarHBondContact CB-SG 3.45Å; C311-C363 WeakPolarHBondContact SG-CB 2.78Å; C311-C363 CovalentContact SG-SG 2.02Å; C311-C363 PolarHBondContact SG-SG 3.43Å; A331-C363 CarbonylContact O-C 3.54Å; A331-C363 VanDerWaalsContact O-CA 3.31Å; A331-C363 WeakPolarHBondContact O-CA 3.31Å; P352-C363 WeakPolarHBondContact CD-O 3.15Å; K361-C363 VanDerWaalsContact CA-SG 3.57Å; K361-C363 PolarHBondContact O-N 3.1Å; K361-C363 PolarHBondContact O-SG 2.74Å; K361-C363 VanDerWaalsContact O-SG 3.39Å
364	T	94.4	Very high	80.8	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.1	172.6	47.8	0	0	0	0	108.7	F310 H330 A331 I332 L333 A351 E380 M381	F310-T364 WeakPolarHBondContact CE1-O 3.4Å; H330-T364 WeakPolarHBondContact NE2-CG2 3.43Å; H330-T364 PolarHBondContact NE2-OG1 2.84Å; H330-T364 VanDerWaalsContact NE2-OG1 3.15Å; A331-T364 PolarHBondContact O-N 2.91Å; A331-T364 PolarHBondContact O-OG1 2.89Å; I332-T364 WeakPolarHBondContact CG1-OG1 3.34Å; L333-T364 PolarHBondContact N-O 2.63Å; A351-T364 HydrophobicContact CB-CG2 3.62Å; T364-E380 HydrophobicContact CG2-CB 3.7Å; T364-M381 HydrophobicContact CG2-CG 4.12Å
365	I	93.1	Very high	81	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.5	166.5	64.2	165.9	0	0	0	109.2	L306 L307 F310 L333 I339 G349 F350	L306-I365 HydrophobicContact CB-CD1 3.98Å; L306-I365 HydrophobicContact CD2-CD1 4.04Å; L306-I365 HydrophobicContact CG-CD1 3.86Å; L307-I365 HydrophobicContact CB-CD1 4Å; L307-I365 HydrophobicContact CB-CG1 4.22Å; L307-I365 HydrophobicContact CB-CG2 4.41Å; L307-I365 HydrophobicContact CD1-CG1 4.39Å; L307-I365 HydrophobicContact CD1-CG2 3.99Å; F310-I365 HydrophobicContact CB-CG2 4Å; F310-I365 HydrophobicContact CD1-CG2 3.77Å; F310-I365 HydrophobicContact CG-CG2 4.17Å; L333-I365 HydrophobicContact CB-CG2 4.09Å; L333-I365 HydrophobicContact CD2-CG2 4.11Å; I339-I365 HydrophobicContact CD1-CD1 4.33Å; G349-I365 CarbonylContact C-O 3.59Å; G349-I365 WeakPolarHBondContact CA-O 2.99Å; F350-I365 HydrophobicContact CB-CD1 4.05Å; F350-I365 HydrophobicContact CB-CG1 3.76Å; F350-I365 PolarHBondContact N-O 2.97Å; F350-I365 WeakPolarHBondContact O-CG1 3.08Å; F350-I365 PolarHBondContact O-N 3.36Å
366	N	91.4	Very high	81.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.9	175.4	69.3	-91.9	0	0	0	111.4	I332 L333 T335 A348 G368 V376 I377	I332-N366 WeakPolarHBondContact CG2-OD1 3.43Å; L333-N366 PolarHBondContact O-N 3.21Å; L333-N366 VanDerWaalsContact O-O 3.07Å; L333-N366 PolarHBondContact O-OD1 3.27Å; T335-N366 VanDerWaalsContact CG2-O 3.3Å; T335-N366 WeakPolarHBondContact CG2-O 3.41Å; T335-N366 PolarHBondContact N-O 2.69Å; A348-N366 WeakPolarHBondContact O-CA 3.3Å; N366-G368 PolarHBondContact O-N 2.91Å; N366-V376 HydrophobicContact CB-CG1 4.17Å; N366-I377 HydrophobicContact CB-CG1 3.92Å; N366-I377 VanDerWaalsContact CG-CG1 3.45Å; N366-I377 VanDerWaalsContact OD1-CG1 3.3Å; N366-I377 WeakPolarHBondContact OD1-CG1 3.36Å
367	E	84.4	Confident	81.6	Confident	40 Å²	40	29.3 Å²	29.3	19%	0.187	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126.7	166.9	-63.9	-162	173.5	0	0	110.2	D338 I339 A348 V369 C373	D338-E367 WeakPolarHBondContact CA-OE1 3.2Å; I339-E367 HydrophobicContact CB-CG 4.44Å; I339-E367 HydrophobicContact CD1-CG 3.78Å; I339-E367 HydrophobicContact CG1-CG 3.92Å; I339-E367 PolarHBondContact N-OE1 3.44Å; A348-E367 PolarHBondContact O-N 2.83Å; E367-V369 VanDerWaalsContact C-N 3.3Å; E367-V369 HydrophobicContact CB-CG1 4.41Å; E367-V369 HydrophobicContact CB-CG2 4.13Å; E367-V369 PolarHBondContact O-N 3.46Å; E367-C373 WeakPolarHBondContact O-CB 3.26Å
368	G	77.1	Confident	82	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.01	15%	0.146	C	C	.	.			trans	-92.8	34.8	-179.8	0	0	0	0	0	113.4	T335 N366	T335-G368 PolarHBondContact O-N 3.16Å; N366-G368 PolarHBondContact O-N 2.91Å
369	V	67.7	Low	82.6	Confident	64 Å²	64	25.7 Å²	25.7	39%	0.388	13%	0.134	S	C	.	.	S	Bend	trans	-81.5	-46.3	-167.8	-73.8	0	0	0	0	114.5	E367	E367-V369 VanDerWaalsContact C-N 3.3Å; E367-V369 HydrophobicContact CB-CG1 4.41Å; E367-V369 HydrophobicContact CB-CG2 4.13Å; E367-V369 PolarHBondContact O-N 3.46Å
370	D	70.8	Confident	83.4	Confident	79 Å²	79	23.4 Å²	23.4	42%	0.422	12%	0.118	S	C	.	.	S	Bend	trans	-155.5	179.7	-175.5	64.2	62	0	0	0	110.7	G372 C373	D370-G372 PolarHBondContact O-N 3.41Å; D370-G372 WeakPolarHBondContact OD1-CA 3.34Å; D370-G372 PolarHBondContact OD1-N 3.35Å; D370-C373 PolarHBondContact O-N 3.09Å; D370-C373 PolarHBondContact O-SG 2.97Å
371	F	70.7	Confident	84.5	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.013	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.4	-176.5	-72	-81.6	0	0	0	115.3	R135 L147 E149 F255 A258 V259 C373 V374	R135-F371 HydrophobicContact CB-CE1 4.05Å; R135-F371 HydrophobicContact CB-CZ 3.78Å; R135-F371 HydrophobicContact CG-CE1 4.44Å; R135-F371 HydrophobicContact CG-CE2 4.38Å; R135-F371 HydrophobicContact CG-CZ 3.69Å; L147-F371 HydrophobicContact CB-CB 4.47Å; L147-F371 HydrophobicContact CD1-CB 4.01Å; L147-F371 HydrophobicContact CD2-CB 3.93Å; L147-F371 HydrophobicContact CG-CB 4.35Å; E149-F371 HydrophobicContact CG-CD2 3.72Å; E149-F371 HydrophobicContact CG-CE2 3.93Å; F255-F371 HydrophobicContact CD2-CD1 4.39Å; F255-F371 HydrophobicContact CD2-CD2 4.25Å; F255-F371 AromaticContact CD2-CE1 3.8Å; F255-F371 HydrophobicContact CD2-CE1 3.8Å; F255-F371 AromaticContact CD2-CE2 3.65Å; F255-F371 HydrophobicContact CD2-CE2 3.65Å; F255-F371 AromaticContact CD2-CZ 3.38Å; F255-F371 HydrophobicContact CD2-CZ 3.38Å; F255-F371 HydrophobicContact CE2-CD1 4.19Å; F255-F371 HydrophobicContact CE2-CD2 4.04Å; F255-F371 HydrophobicContact CE2-CE1 4.06Å; F255-F371 AromaticContact CE2-CE2 3.91Å; F255-F371 HydrophobicContact CE2-CE2 3.91Å; F255-F371 HydrophobicContact CE2-CG 4.16Å; F255-F371 AromaticContact CE2-CZ 3.91Å; F255-F371 HydrophobicContact CE2-CZ 3.91Å; F255-F371 HydrophobicContact CG-CZ 4.36Å; A258-F371 HydrophobicContact CB-CE1 3.97Å; V259-F371 HydrophobicContact CG2-CD1 3.69Å; V259-F371 HydrophobicContact CG2-CE1 3.82Å; F371-C373 PolarHBondContact O-N 3.2Å; F371-V374 VanDerWaalsContact O-CB 3.3Å; F371-V374 WeakPolarHBondContact O-CB 3.44Å; F371-V374 VanDerWaalsContact O-CG2 3.22Å; F371-V374 WeakPolarHBondContact O-CG2 3.35Å; F371-V374 PolarHBondContact O-N 2.99Å; F371-V374 VanDerWaalsContact O-N 3.14Å
372	G	70.5	Confident	85.2	Confident	11 Å²	11	12.3 Å²	12.3	11%	0.113	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.6	167.4	0	0	0	0	0	112.6	D370 V374 F375	D370-G372 PolarHBondContact O-N 3.41Å; D370-G372 WeakPolarHBondContact OD1-CA 3.34Å; D370-G372 PolarHBondContact OD1-N 3.35Å; G372-V374 PolarHBondContact O-N 2.84Å; G372-V374 VanDerWaalsContact O-N 3.15Å; G372-F375 PolarHBondContact O-N 2.86Å; G372-F375 VanDerWaalsContact O-N 3.15Å
373	C	80.2	Confident	85.2	Confident	6 Å²	6	12.2 Å²	12.2	4%	0.041	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-18.7	174.9	77.7	0	0	0	0	113.7	E367 D370 F371 F375 V376 I377	E367-C373 WeakPolarHBondContact O-CB 3.26Å; D370-C373 PolarHBondContact O-N 3.09Å; D370-C373 PolarHBondContact O-SG 2.97Å; F371-C373 PolarHBondContact O-N 3.2Å; C373-F375 PolarHBondContact O-N 3.23Å; C373-V376 PolarHBondContact O-N 3.38Å; C373-V376 VanDerWaalsContact O-N 3.16Å; C373-I377 HydrophobicContact CB-CD1 4.48Å; C373-I377 WeakPolarHBondContact O-CB 3.18Å; C373-I377 VanDerWaalsContact O-CG1 3.31Å; C373-I377 WeakPolarHBondContact O-CG1 3.39Å; C373-I377 PolarHBondContact O-N 3.03Å
374	V	84.6	Confident	85.2	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-52.8	-44.2	171.2	169.6	0	0	0	0	111.3	L137 V259 N262 V263 L266 F371 G372 A378	L137-V374 HydrophobicContact CD2-CG1 4.23Å; V259-V374 HydrophobicContact CB-CG2 4.2Å; V259-V374 HydrophobicContact CG1-CG2 3.88Å; V259-V374 HydrophobicContact CG2-CG2 4.17Å; N262-V374 HydrophobicContact CB-CG1 3.75Å; N262-V374 HydrophobicContact CB-CG2 3.84Å; V263-V374 HydrophobicContact CG2-CG1 4.17Å; V263-V374 WeakPolarHBondContact CG2-O 3.32Å; L266-V374 HydrophobicContact CD1-CG1 3.9Å; F371-V374 VanDerWaalsContact O-CB 3.3Å; F371-V374 WeakPolarHBondContact O-CB 3.44Å; F371-V374 VanDerWaalsContact O-CG2 3.22Å; F371-V374 WeakPolarHBondContact O-CG2 3.35Å; F371-V374 PolarHBondContact O-N 2.99Å; F371-V374 VanDerWaalsContact O-N 3.14Å; G372-V374 PolarHBondContact O-N 2.84Å; G372-V374 VanDerWaalsContact O-N 3.15Å; V374-A378 WeakPolarHBondContact O-CB 3.14Å; V374-A378 PolarHBondContact O-N 2.94Å; V374-A378 VanDerWaalsContact O-N 3.12Å
375	F	83	Confident	85.2	Confident	6 Å²	6	12.2 Å²	12.2	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-77	-31.5	-179.1	-60.1	-73.9	0	0	0	112.4	L137 F145 L147 L266 G372 C373 H379 T411	L137-F375 HydrophobicContact CD1-CE2 4.41Å; L137-F375 HydrophobicContact CD1-CZ 3.93Å; F145-F375 HydrophobicContact CB-CE1 4.21Å; F145-F375 HydrophobicContact CB-CZ 3.63Å; F145-F375 AromaticContact CD1-CE1 3.84Å; F145-F375 HydrophobicContact CD1-CE1 3.84Å; F145-F375 AromaticContact CD1-CZ 3.82Å; F145-F375 HydrophobicContact CD1-CZ 3.82Å; F145-F375 HydrophobicContact CE1-CE1 4.48Å; F145-F375 HydrophobicContact CG-CE1 4.22Å; F145-F375 HydrophobicContact CG-CZ 4.08Å; L147-F375 HydrophobicContact CD2-CE2 4.2Å; L266-F375 HydrophobicContact CD1-CD1 4.14Å; L266-F375 HydrophobicContact CD1-CE1 4.32Å; G372-F375 PolarHBondContact O-N 2.86Å; G372-F375 VanDerWaalsContact O-N 3.15Å; C373-F375 PolarHBondContact O-N 3.23Å; F375-H379 WeakPolarHBondContact O-CB 3.46Å; F375-H379 PolarHBondContact O-N 3.3Å; F375-T411 HydrophobicContact CD1-CG2 4.31Å; F375-T411 HydrophobicContact CE1-CG2 3.63Å; F375-T411 HydrophobicContact CZ-CG2 4.28Å
376	V	85.2	Confident	84.9	Confident	18 Å²	18	13 Å²	13	11%	0.109	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-55.3	174.9	-179	0	0	0	0	109.3	A348 N366 C373 A378 H379 E380	A348-V376 HydrophobicContact CB-CG1 4.23Å; A348-V376 HydrophobicContact CB-CG2 3.77Å; N366-V376 HydrophobicContact CB-CG1 4.17Å; C373-V376 PolarHBondContact O-N 3.38Å; C373-V376 VanDerWaalsContact O-N 3.16Å; V376-A378 VanDerWaalsContact C-N 3.25Å; V376-A378 PolarHBondContact O-N 3.04Å; V376-H379 CarbonylContact O-C 3.54Å; V376-H379 WeakPolarHBondContact O-CA 3.41Å; V376-H379 VanDerWaalsContact O-CB 3.32Å; V376-H379 WeakPolarHBondContact O-CB 3.24Å; V376-H379 PolarHBondContact O-N 3.14Å; V376-E380 HydrophobicContact CG1-CG 4.07Å; V376-E380 WeakPolarHBondContact O-CG 2.97Å; V376-E380 PolarHBondContact O-N 3.39Å
377	I	92.5	Very high	84.9	Confident	1 Å²	1	13 Å²	13	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-56	-41.1	177.7	-64.9	161.3	0	0	0	110.9	V259 V263 I332 F334 N366 C373 M381	V259-I377 HydrophobicContact CG1-CD1 3.45Å; V259-I377 VanDerWaalsContact CG1-CD1 3.45Å; V263-I377 HydrophobicContact CG1-CG2 4.1Å; V263-I377 HydrophobicContact CG2-CB 3.98Å; V263-I377 HydrophobicContact CG2-CG2 3.86Å; I332-I377 HydrophobicContact CD1-CG2 3.9Å; I332-I377 HydrophobicContact CG2-CD1 4.38Å; I332-I377 HydrophobicContact CG2-CG1 4.32Å; I332-I377 HydrophobicContact CG2-CG2 4.39Å; F334-I377 HydrophobicContact CE1-CD1 3.87Å; F334-I377 HydrophobicContact CZ-CD1 3.78Å; N366-I377 HydrophobicContact CB-CG1 3.92Å; N366-I377 VanDerWaalsContact CG-CG1 3.45Å; N366-I377 VanDerWaalsContact OD1-CG1 3.3Å; N366-I377 WeakPolarHBondContact OD1-CG1 3.36Å; C373-I377 HydrophobicContact CB-CD1 4.48Å; C373-I377 WeakPolarHBondContact O-CB 3.18Å; C373-I377 VanDerWaalsContact O-CG1 3.31Å; C373-I377 WeakPolarHBondContact O-CG1 3.39Å; C373-I377 PolarHBondContact O-N 3.03Å; I377-M381 HydrophobicContact CG2-CG 4.2Å; I377-M381 HydrophobicContact CG2-SD 3.82Å; I377-M381 WeakPolarHBondContact O-CB 3.49Å; I377-M381 VanDerWaalsContact O-CG 3.22Å; I377-M381 WeakPolarHBondContact O-CG 3.22Å; I377-M381 PolarHBondContact O-N 3.01Å
378	A	92.9	Very high	84.7	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-40.8	174.3	0	0	0	0	0	113.1	V263 L266 V374 V376 G382 I401 W413	V263-A378 HydrophobicContact CG1-CB 4.44Å; L266-A378 HydrophobicContact CD1-CB 3.67Å; V374-A378 WeakPolarHBondContact O-CB 3.14Å; V374-A378 PolarHBondContact O-N 2.94Å; V374-A378 VanDerWaalsContact O-N 3.12Å; V376-A378 VanDerWaalsContact C-N 3.25Å; V376-A378 PolarHBondContact O-N 3.04Å; A378-G382 PolarHBondContact O-N 3.24Å; A378-I401 HydrophobicContact CB-CG2 4.18Å; A378-W413 HydrophobicContact CB-CH2 4.5Å; A378-W413 WeakPolarHBondContact O-CH2 2.38Å
379	H	90.6	Very high	85	Confident	19 Å²	19	13.3 Å²	13.3	9%	0.088	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-50.5	175	-170.3	102.5	0	0	0	111.8	F375 V376 M381 G382 H383 H389 I401 S403	F375-H379 WeakPolarHBondContact O-CB 3.46Å; F375-H379 PolarHBondContact O-N 3.3Å; V376-H379 CarbonylContact O-C 3.54Å; V376-H379 WeakPolarHBondContact O-CA 3.41Å; V376-H379 VanDerWaalsContact O-CB 3.32Å; V376-H379 WeakPolarHBondContact O-CB 3.24Å; V376-H379 PolarHBondContact O-N 3.14Å; H379-M381 PolarHBondContact O-N 2.96Å; H379-G382 CarbonylContact O-C 3.56Å; H379-G382 WeakPolarHBondContact O-CA 3.48Å; H379-G382 PolarHBondContact O-N 2.9Å; H379-H383 AromaticContact CD2-CD2 3.91Å; H379-H383 AromaticContact CD2-NE2 3.96Å; H379-H383 AromaticContact NE2-NE2 3.57Å; H379-H383 PolarHBondContact O-N 3.02Å; H379-H389 AromaticContact CE1-CD2 3.95Å; H379-H389 AromaticContact NE2-CD2 3.74Å; H379-H389 AromaticContact NE2-NE2 3.82Å; H379-I401 HydrophobicContact CB-CG2 4.33Å; H379-I401 PolarHBondContact ND1-O 2.95Å; H379-S403 PolarHBondContact CE1-O 2.99Å
380	E	92.9	Very high	85.5	Confident	7 Å²	7	10.2 Å²	10.2	3%	0.033	6%	0.06	C	C	.	.	H	α-helix	trans	-66.1	-36.3	-179.7	-56.9	-43.2	133.5	0	0	112.4	H190 F350 A351 T364 V376 H383 S384	H190-E380 IonicContact NE2-OE2 3.62Å; F350-E380 WeakPolarHBondContact CA-OE2 3.22Å; F350-E380 PolarHBondContact N-OE2 3.47Å; A351-E380 HydrophobicContact CB-CB 3.83Å; A351-E380 WeakPolarHBondContact CB-O 3.3Å; A351-E380 PolarHBondContact N-OE2 3.44Å; T364-E380 HydrophobicContact CG2-CB 3.7Å; V376-E380 HydrophobicContact CG1-CG 4.07Å; V376-E380 WeakPolarHBondContact O-CG 2.97Å; V376-E380 PolarHBondContact O-N 3.39Å; E380-H383 PolarHBondContact O-N 2.03Å; E380-S384 PolarHBondContact O-N 3.02Å; E380-S384 PolarHBondContact O-OG 3.18Å
381	M	95.5	Very high	85.8	Confident	0 Å²	0	8 Å²	8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.2	-33.2	169.6	-73.3	-176.9	68.4	0	0	111.9	I225 V263 F267 M278 I332 M356 T364 I377 H379 S384 L385	I225-M381 HydrophobicContact CD1-CE 3.52Å; I225-M381 HydrophobicContact CG2-CE 4.14Å; V263-M381 HydrophobicContact CG1-SD 3.91Å; F267-M381 HydrophobicContact CE2-CB 3.81Å; F267-M381 HydrophobicContact CE2-CE 3.96Å; F267-M381 HydrophobicContact CE2-SD 4Å; F267-M381 HydrophobicContact CZ-CB 3.61Å; M278-M381 HydrophobicContact CE-CE 3.72Å; M278-M381 HydrophobicContact CE-SD 3.72Å; M278-M381 HydrophobicContact CG-CE 4.33Å; M278-M381 HydrophobicContact SD-CE 4.01Å; M278-M381 HydrophobicContact SD-SD 4.1Å; I332-M381 HydrophobicContact CD1-SD 4.04Å; M356-M381 HydrophobicContact CE-CE 4.34Å; T364-M381 HydrophobicContact CG2-CG 4.12Å; I377-M381 HydrophobicContact CG2-CG 4.2Å; I377-M381 HydrophobicContact CG2-SD 3.82Å; I377-M381 WeakPolarHBondContact O-CB 3.49Å; I377-M381 VanDerWaalsContact O-CG 3.22Å; I377-M381 WeakPolarHBondContact O-CG 3.22Å; I377-M381 PolarHBondContact O-N 3.01Å; H379-M381 PolarHBondContact O-N 2.96Å; M381-S384 CarbonylContact O-C 3.57Å; M381-S384 WeakPolarHBondContact O-CB 3.45Å; M381-S384 PolarHBondContact O-N 2.86Å; M381-L385 WeakPolarHBondContact O-CB 3.3Å; M381-L385 WeakPolarHBondContact O-CD1 3.48Å; M381-L385 VanDerWaalsContact O-CG 3.28Å; M381-L385 WeakPolarHBondContact O-CG 3.31Å; M381-L385 PolarHBondContact O-N 2.88Å
382	G	94.3	Very high	86.2	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.4	-47	170.6	0	0	0	0	0	111.9	A378 H379 S384 L385 G386 M387	A378-G382 PolarHBondContact O-N 3.24Å; H379-G382 CarbonylContact O-C 3.56Å; H379-G382 WeakPolarHBondContact O-CA 3.48Å; H379-G382 PolarHBondContact O-N 2.9Å; G382-S384 PolarHBondContact O-N 2.83Å; G382-L385 CarbonylContact O-C 3.5Å; G382-L385 PolarHBondContact O-N 2.92Å; G382-L385 VanDerWaalsContact O-N 3.16Å; G382-G386 PolarHBondContact O-N 3.47Å; G382-M387 VanDerWaalsContact O-CB 3.25Å; G382-M387 WeakPolarHBondContact O-CB 3.38Å; G382-M387 VanDerWaalsContact O-CG 3.24Å; G382-M387 WeakPolarHBondContact O-CG 3.37Å; G382-M387 PolarHBondContact O-N 3.03Å
383	H	87.5	Confident	86.6	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.8	-46.2	169.1	-81.6	-31.4	0	0	0	111.7	H190 V353 G354 H379 E380 L385 G386 M387 H389 M402	H190-H383 AromaticContact CD2-CD2 3.56Å; H190-H383 AromaticContact CD2-NE2 3.35Å; H190-H383 PolarHBondContact CD2-NE2 2.85Å; H190-H383 AromaticContact NE2-CD2 3.4Å; H190-H383 PolarHBondContact NE2-CD2 2.87Å; H190-H383 AromaticContact NE2-NE2 3.74Å; V353-H383 CarbonylContact C-O 3.57Å; V353-H383 VanDerWaalsContact CA-O 3.27Å; V353-H383 WeakPolarHBondContact CA-O 3.33Å; V353-H383 HydrophobicContact CG2-CB 4.25Å; G354-H383 PolarHBondContact N-O 3.19Å; H379-H383 AromaticContact CD2-CD2 3.91Å; H379-H383 AromaticContact CD2-NE2 3.96Å; H379-H383 AromaticContact NE2-NE2 3.57Å; H379-H383 PolarHBondContact O-N 3.02Å; E380-H383 PolarHBondContact O-N 2.03Å; H383-L385 PolarHBondContact O-N 2.92Å; H383-G386 WeakPolarHBondContact O-CA 3.48Å; H383-G386 PolarHBondContact O-N 3.3Å; H383-M387 PolarHBondContact ND1-O 2.98Å; H383-H389 AromaticContact CE1-CD2 3.78Å; H383-H389 AromaticContact NE2-CD2 3.62Å; H383-H389 AromaticContact NE2-NE2 3.68Å; H383-M402 VanDerWaalsContact CE1-CE 3.46Å; H383-M402 WeakPolarHBondContact CE1-CE 3.37Å; H383-M402 WeakPolarHBondContact ND1-CE 3.48Å
384	S	91.2	Very high	86.6	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.6	-35.5	176	-57.6	0	0	0	0	112.6	H330 G354 G355 M356 E380 M381 G382 G386	H330-S384 PolarHBondContact CE1-OG 2.82Å; G354-S384 CarbonylContact C-O 3.33Å; G354-S384 VanDerWaalsContact C-O 3.27Å; G354-S384 VanDerWaalsContact CA-O 3.27Å; G354-S384 WeakPolarHBondContact CA-O 3.32Å; G355-S384 PolarHBondContact N-O 3.39Å; G355-S384 VanDerWaalsContact N-O 3.1Å; M356-S384 VanDerWaalsContact CB-O 3.25Å; M356-S384 WeakPolarHBondContact CB-O 3.46Å; M356-S384 PolarHBondContact N-O 2.89Å; E380-S384 PolarHBondContact O-N 3.02Å; E380-S384 PolarHBondContact O-OG 3.18Å; M381-S384 CarbonylContact O-C 3.57Å; M381-S384 WeakPolarHBondContact O-CB 3.45Å; M381-S384 PolarHBondContact O-N 2.86Å; G382-S384 PolarHBondContact O-N 2.83Å; S384-G386 PolarHBondContact O-N 3.28Å
385	L	93.5	Very high	86.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	13.4	174.1	-68.9	161.6	0	0	0	114	I225 F267 L276 M356 M381 G382 H383 M387 M421 F424 L438	I225-L385 HydrophobicContact CD1-CD1 4.46Å; F267-L385 HydrophobicContact CD1-CD1 4.2Å; F267-L385 HydrophobicContact CE1-CD1 3.47Å; F267-L385 VanDerWaalsContact CE1-CD1 3.47Å; F267-L385 HydrophobicContact CZ-CD1 3.95Å; L276-L385 HydrophobicContact CD1-CD1 3.4Å; L276-L385 VanDerWaalsContact CD1-CD1 3.4Å; L276-L385 HydrophobicContact CD1-CD2 3.75Å; L276-L385 HydrophobicContact CD1-CG 4.24Å; M356-L385 HydrophobicContact CB-CD2 4.3Å; M356-L385 HydrophobicContact CE-CD2 4.25Å; M356-L385 HydrophobicContact CE-CG 4.16Å; M356-L385 HydrophobicContact CG-CD2 3.97Å; M381-L385 WeakPolarHBondContact O-CB 3.3Å; M381-L385 WeakPolarHBondContact O-CD1 3.48Å; M381-L385 VanDerWaalsContact O-CG 3.28Å; M381-L385 WeakPolarHBondContact O-CG 3.31Å; M381-L385 PolarHBondContact O-N 2.88Å; G382-L385 CarbonylContact O-C 3.5Å; G382-L385 PolarHBondContact O-N 2.92Å; G382-L385 VanDerWaalsContact O-N 3.16Å; H383-L385 PolarHBondContact O-N 2.92Å; L385-M387 HydrophobicContact CB-CE 4.47Å; L385-M387 HydrophobicContact CD1-CE 4.47Å; L385-M387 PolarHBondContact O-N 3.42Å; L385-M421 HydrophobicContact CB-CG 4.35Å; L385-F424 HydrophobicContact CD2-CE1 4.45Å; L385-F424 WeakPolarHBondContact O-CB 2.25Å; L385-F424 VanDerWaalsContact O-CG 3.24Å; L385-F424 WeakPolarHBondContact O-CG 3.41Å; L385-L438 HydrophobicContact CD2-CD1 4.34Å
386	G	86.2	Confident	86.4	Confident	18 Å²	18	19.1 Å²	19.1	19%	0.186	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	12	173.5	0	0	0	0	0	115.6	G382 H383 S384	G382-G386 PolarHBondContact O-N 3.47Å; H383-G386 WeakPolarHBondContact O-CA 3.48Å; H383-G386 PolarHBondContact O-N 3.3Å; S384-G386 PolarHBondContact O-N 3.28Å
387	M	91.2	Very high	86	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-74.1	144.2	172.3	-50.9	178.8	-166.5	0	0	110.7	F267 I272 G382 H383 L385 M402 W413 S417 M421	F267-M387 HydrophobicContact CE1-CE 4.48Å; I272-M387 HydrophobicContact CD1-CE 4.02Å; G382-M387 VanDerWaalsContact O-CB 3.25Å; G382-M387 WeakPolarHBondContact O-CB 3.38Å; G382-M387 VanDerWaalsContact O-CG 3.24Å; G382-M387 WeakPolarHBondContact O-CG 3.37Å; G382-M387 PolarHBondContact O-N 3.03Å; H383-M387 PolarHBondContact ND1-O 2.98Å; L385-M387 HydrophobicContact CB-CE 4.47Å; L385-M387 HydrophobicContact CD1-CE 4.47Å; L385-M387 PolarHBondContact O-N 3.42Å; M387-M402 HydrophobicContact CB-CE 4.22Å; M387-M402 HydrophobicContact CB-CG 4.1Å; M387-M402 HydrophobicContact CB-SD 4.29Å; M387-M402 HydrophobicContact SD-CG 3.9Å; M387-M402 HydrophobicContact SD-SD 4.08Å; M387-W413 HydrophobicContact CE-CE3 3.85Å; M387-W413 HydrophobicContact CE-CH2 4.19Å; M387-W413 HydrophobicContact CE-CZ3 3.65Å; M387-W413 HydrophobicContact SD-CE3 3.6Å; M387-W413 HydrophobicContact SD-CH2 4.35Å; M387-W413 HydrophobicContact SD-CZ3 3.36Å; M387-W413 WeakPolarHBondContact SD-CZ3 2.71Å; M387-S417 WeakPolarHBondContact CG-O 2.27Å; M387-S417 VanDerWaalsContact SD-CB 3.54Å; M387-M421 HydrophobicContact CE-CB 3.69Å; M387-M421 HydrophobicContact CE-CG 4.01Å; M387-M421 HydrophobicContact CE-SD 3.86Å; M387-M421 HydrophobicContact CG-CB 4.23Å
388	M	81.3	Confident	85.2	Confident	47 Å²	47	26.3 Å²	26.3	23%	0.232	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-97.5	173.8	171.6	-61.1	-65.2	-64.7	0	0	110.3	F192 V353 D390 N393 M402 E420	F192-M388 HydrophobicContact CB-CE 4.13Å; F192-M388 HydrophobicContact CD1-CE 3.47Å; F192-M388 VanDerWaalsContact CD1-CE 3.47Å; F192-M388 HydrophobicContact CD1-SD 4.49Å; F192-M388 HydrophobicContact CD2-CE 3.71Å; F192-M388 HydrophobicContact CE1-CE 3.68Å; F192-M388 HydrophobicContact CE1-SD 4.41Å; F192-M388 HydrophobicContact CE2-CE 3.88Å; F192-M388 HydrophobicContact CG-CE 3.5Å; F192-M388 VanDerWaalsContact CG-CE 3.5Å; F192-M388 HydrophobicContact CZ-CE 3.89Å; V353-M388 HydrophobicContact CG1-SD 4.08Å; M388-D390 PolarHBondContact O-N 3Å; M388-N393 HydrophobicContact CB-CB 4.28Å; M388-M402 WeakPolarHBondContact O-CB 3.44Å; M388-E420 WeakPolarHBondContact CB-OE1 3.43Å; M388-E420 VanDerWaalsContact CG-OE1 3.27Å; M388-E420 WeakPolarHBondContact CG-OE1 3.5Å; M388-E420 PolarHBondContact N-OE2 3.35Å
389	H	82.6	Confident	84.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-59.8	136	168.2	-72	153.6	0	0	0	110.9	C188 F192 H379 H383 G391 D392 N393 M402 P404	C188-H389 WeakPolarHBondContact CB-NE2 3.16Å; C188-H389 PolarHBondContact SG-NE2 3.08Å; C188-H389 VanDerWaalsContact SG-NE2 3.43Å; F192-H389 HydrophobicContact CE2-CB 4.17Å; F192-H389 AromaticContact CE2-CE1 3.91Å; F192-H389 AromaticContact CE2-CG 3.79Å; F192-H389 AromaticContact CE2-ND1 3.24Å; F192-H389 WeakPolarHBondContact CE2-ND1 3.44Å; F192-H389 HydrophobicContact CZ-CB 4.33Å; F192-H389 AromaticContact CZ-CE1 3.76Å; F192-H389 AromaticContact CZ-CG 3.72Å; F192-H389 AromaticContact CZ-ND1 3.42Å; F192-H389 WeakPolarHBondContact CZ-ND1 3.45Å; H379-H389 AromaticContact CE1-CD2 3.95Å; H379-H389 AromaticContact NE2-CD2 3.74Å; H379-H389 AromaticContact NE2-NE2 3.82Å; H383-H389 AromaticContact CE1-CD2 3.78Å; H383-H389 AromaticContact NE2-CD2 3.62Å; H383-H389 AromaticContact NE2-NE2 3.68Å; H389-G391 PolarHBondContact O-N 2.92Å; H389-D392 HydrophobicContact CB-CB 4.26Å; H389-D392 IonicContact CG-OD2 2.82Å; H389-D392 IonicContact ND1-OD2 3.6Å; H389-D392 PolarHBondContact ND1-OD2 3.33Å; H389-D392 PolarHBondContact O-N 3.02Å; H389-N393 VanDerWaalsContact O-CG 3.31Å; H389-N393 PolarHBondContact O-N 2.63Å; H389-N393 PolarHBondContact O-ND2 3.37Å; H389-M402 CarbonylContact C-O 3.26Å; H389-M402 VanDerWaalsContact CA-O 3.29Å; H389-M402 WeakPolarHBondContact CA-O 3.44Å; H389-P404 HydrophobicContact CB-CB 4.28Å; H389-P404 HydrophobicContact CB-CG 4.37Å
390	D	79.3	Confident	84	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	133.2	164.5	-70.8	-40.4	0	0	0	109.2	M388 N393 C395 A397 C400 M402 P404 S414 S417	M388-D390 PolarHBondContact O-N 3Å; D390-N393 WeakPolarHBondContact CA-OD1 3.29Å; D390-N393 PolarHBondContact OD1-ND2 2.03Å; D390-C395 HydrophobicContact CB-CB 4.29Å; D390-A397 WeakPolarHBondContact O-CA 3.33Å; D390-C400 WeakPolarHBondContact OD2-CB 3.3Å; D390-M402 PolarHBondContact N-O 3.48Å; D390-P404 WeakPolarHBondContact O-CD 3.2Å; D390-S414 VanDerWaalsContact OD1-CB 3.31Å; D390-S414 WeakPolarHBondContact OD1-CB 2.4Å; D390-S414 PolarHBondContact OD1-OG 3.34Å; D390-S414 WeakPolarHBondContact OD2-CB 3.48Å; D390-S414 PolarHBondContact OD2-OG 3.17Å; D390-S417 PolarHBondContact OD1-OG 2.68Å; D390-S417 PolarHBondContact OD2-OG 2.82Å
391	G	77.4	Confident	83.7	Confident	32 Å²	32	27.9 Å²	27.9	33%	0.33	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.9	-55.3	-166.9	0	0	0	0	0	112.3	H389 N393 G394 C395	H389-G391 PolarHBondContact O-N 2.92Å; G391-N393 VanDerWaalsContact C-N 3.3Å; G391-N393 PolarHBondContact N-OD1 3.06Å; G391-N393 PolarHBondContact O-N 3.39Å; G391-G394 PolarHBondContact O-N 2.85Å; G391-C395 WeakPolarHBondContact CA-O 3.1Å; G391-C395 PolarHBondContact N-O 3.23Å
392	D	77.4	Confident	83.4	Confident	75 Å²	75	27.9 Å²	27.9	40%	0.401	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.8	177.6	-67	-42.9	0	0	0	111	K187 F192 H389	K187-D392 IonicContact NZ-OD1 3.51Å; K187-D392 IonicContact NZ-OD2 3.54Å; K187-D392 PolarHBondContact NZ-OD2 2.94Å; F192-D392 HydrophobicContact CE2-CB 4.44Å; H389-D392 HydrophobicContact CB-CB 4.26Å; H389-D392 IonicContact CG-OD2 2.82Å; H389-D392 IonicContact ND1-OD2 3.6Å; H389-D392 PolarHBondContact ND1-OD2 3.33Å; H389-D392 PolarHBondContact O-N 3.02Å
393	N	80.6	Confident	82.7	Confident	13 Å²	13	28.2 Å²	28.2	7%	0.07	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.4	171.4	63.9	16.9	0	0	0	115.1	M388 H389 D390 G391 C395 C416 E420	M388-N393 HydrophobicContact CB-CB 4.28Å; H389-N393 VanDerWaalsContact O-CG 3.31Å; H389-N393 PolarHBondContact O-N 2.63Å; H389-N393 PolarHBondContact O-ND2 3.37Å; D390-N393 WeakPolarHBondContact CA-OD1 3.29Å; D390-N393 PolarHBondContact OD1-ND2 2.03Å; G391-N393 VanDerWaalsContact C-N 3.3Å; G391-N393 PolarHBondContact N-OD1 3.06Å; G391-N393 PolarHBondContact O-N 3.39Å; N393-C395 WeakPolarHBondContact OD1-CB 3.27Å; N393-C395 PolarHBondContact OD1-N 3.37Å; N393-C416 HydrophobicContact CB-CB 4.11Å; N393-C416 WeakPolarHBondContact ND2-CB 3.47Å; N393-E420 VanDerWaalsContact CB-OE1 3.32Å; N393-E420 WeakPolarHBondContact CB-OE1 3.46Å; N393-E420 PolarHBondContact ND2-OE2 3.29Å; N393-E420 VanDerWaalsContact ND2-OE2 3.12Å
394	G	79.2	Confident	81.8	Confident	48 Å²	48	28.7 Å²	28.7	50%	0.495	18%	0.181	S	C	.	.	S	Bend	trans	98.5	-4.8	-178.1	0	0	0	0	0	116.4	G391	G391-G394 PolarHBondContact O-N 2.85Å
395	C	84.5	Confident	80.7	Confident	25 Å²	25	31.1 Å²	31.1	17%	0.169	19%	0.192	C	C	.	.	S	Bend	trans	-77	174.3	166.7	-84	0	0	0	0	111.7	D390 G391 N393 A397 S414 C416	D390-C395 HydrophobicContact CB-CB 4.29Å; G391-C395 WeakPolarHBondContact CA-O 3.1Å; G391-C395 PolarHBondContact N-O 3.23Å; N393-C395 WeakPolarHBondContact OD1-CB 3.27Å; N393-C395 PolarHBondContact OD1-N 3.37Å; C395-A397 PolarHBondContact O-N 3.35Å; C395-S414 PolarHBondContact SG-OG 3.44Å; C395-C416 HydrophobicContact CB-CB 3.77Å; C395-C416 WeakPolarHBondContact CB-SG 3.11Å; C395-C416 PolarHBondContact N-SG 2.89Å; C395-C416 VanDerWaalsContact N-SG 3.36Å; C395-C416 WeakPolarHBondContact SG-CB 3.43Å; C395-C416 PolarHBondContact SG-N 3.28Å; C395-C416 CovalentContact SG-SG 2.04Å; C395-C416 PolarHBondContact SG-SG 2.86Å
396	N	79.3	Confident	79.1	Confident	99 Å²	99	34.3 Å²	34.3	53%	0.529	21%	0.211	S	C	.	.			trans	-70.2	117.9	179.7	177.8	6.2	0	0	0	111.3	Q398 C399	N396-Q398 PolarHBondContact O-N 2.91Å; N396-Q398 PolarHBondContact OD1-N 2.87Å; N396-C399 HydrophobicContact CB-CB 4.12Å; N396-C399 PolarHBondContact O-N 3.01Å
397	A	76.5	Confident	77.5	Confident	29 Å²	29	34 Å²	34	24%	0.24	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.4	177.8	0	0	0	0	0	115.3	D390 C395 S403 F405	D390-A397 WeakPolarHBondContact O-CA 3.33Å; C395-A397 PolarHBondContact O-N 3.35Å; A397-S403 VanDerWaalsContact O-CB 3.26Å; A397-S403 WeakPolarHBondContact O-CB 3.47Å; A397-S403 PolarHBondContact O-OG 3.39Å; A397-F405 HydrophobicContact CB-CE2 4.16Å; A397-F405 WeakPolarHBondContact O-CD2 3.21Å
398	Q	75.2	Confident	75.8	Confident	141 Å²	141	37.3 Å²	37.3	66%	0.659	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-8.3	172.8	-64.9	-176	-12.3	0	0	113.7	N396 K410	N396-Q398 PolarHBondContact O-N 2.91Å; N396-Q398 PolarHBondContact OD1-N 2.87Å; Q398-K410 WeakPolarHBondContact O-CE 3.19Å
399	C	76.3	Confident	74.9	Confident	43 Å²	43	36.3 Å²	36.3	29%	0.291	23%	0.228	S	C	.	.	S	Bend	trans	-86.7	158	176.8	-171.5	0	0	0	0	112.2	N396 S403	N396-C399 HydrophobicContact CB-CB 4.12Å; N396-C399 PolarHBondContact O-N 3.01Å; C399-S403 WeakPolarHBondContact O-CB 3.23Å
400	C	82.4	Confident	74.5	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.041	23%	0.232	C	C	.	.	S	Bend	trans	71.8	166	143.6	-54.1	0	0	0	0	114.8	D390 M402 S403 K410 S412 S414	D390-C400 WeakPolarHBondContact OD2-CB 3.3Å; C400-M402 VanDerWaalsContact C-N 3.27Å; C400-M402 PolarHBondContact O-N 2.02Å; C400-S403 WeakPolarHBondContact O-CB 3.36Å; C400-S403 PolarHBondContact O-N 2.78Å; C400-K410 WeakPolarHBondContact O-CB 3.22Å; C400-S412 CarbonylContact C-O 3.5Å; C400-S412 WeakPolarHBondContact CA-O 2.92Å; C400-S412 VanDerWaalsContact CB-O 3.28Å; C400-S412 WeakPolarHBondContact CB-O 3.46Å; C400-S414 VanDerWaalsContact SG-CB 3.52Å
401	I	87.2	Confident	74.4	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.051	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.8	-174	-71.3	168.3	0	0	0	112.1	L266 A378 H379 S403 T411 S412 W413	L266-I401 HydrophobicContact CB-CD1 4.31Å; L266-I401 HydrophobicContact CD1-CD1 4.27Å; L266-I401 HydrophobicContact CD2-CD1 4.22Å; A378-I401 HydrophobicContact CB-CG2 4.18Å; H379-I401 HydrophobicContact CB-CG2 4.33Å; H379-I401 PolarHBondContact ND1-O 2.95Å; I401-S403 VanDerWaalsContact C-N 3.28Å; I401-S403 PolarHBondContact O-N 2.89Å; I401-T411 WeakPolarHBondContact CD1-O 3.35Å; I401-S412 PolarHBondContact N-O 2.88Å; I401-W413 HydrophobicContact CB-CD2 4.41Å; I401-W413 HydrophobicContact CB-CE3 4.06Å; I401-W413 HydrophobicContact CB-CH2 4.43Å; I401-W413 HydrophobicContact CB-CZ3 4.06Å; I401-W413 HydrophobicContact CD1-CD2 3.9Å; I401-W413 HydrophobicContact CD1-CE3 4.35Å; I401-W413 HydrophobicContact CD1-CG 4.4Å; I401-W413 HydrophobicContact CD1-CH2 4.2Å; I401-W413 HydrophobicContact CD1-CZ2 3.72Å; I401-W413 HydrophobicContact CD1-CZ3 4.47Å; I401-W413 HydrophobicContact CG2-CE3 4.28Å; I401-W413 HydrophobicContact CG2-CH2 3.87Å; I401-W413 HydrophobicContact CG2-CZ2 4.45Å; I401-W413 HydrophobicContact CG2-CZ3 3.74Å
402	M	88	Confident	74.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	9.7	-177	-60.1	-51.8	-55.4	0	0	114.4	H383 M387 M388 H389 D390 C400 W413	H383-M402 VanDerWaalsContact CE1-CE 3.46Å; H383-M402 WeakPolarHBondContact CE1-CE 3.37Å; H383-M402 WeakPolarHBondContact ND1-CE 3.48Å; M387-M402 HydrophobicContact CB-CE 4.22Å; M387-M402 HydrophobicContact CB-CG 4.1Å; M387-M402 HydrophobicContact CB-SD 4.29Å; M387-M402 HydrophobicContact SD-CG 3.9Å; M387-M402 HydrophobicContact SD-SD 4.08Å; M388-M402 WeakPolarHBondContact O-CB 3.44Å; H389-M402 CarbonylContact C-O 3.26Å; H389-M402 VanDerWaalsContact CA-O 3.29Å; H389-M402 WeakPolarHBondContact CA-O 3.44Å; D390-M402 PolarHBondContact N-O 3.48Å; C400-M402 VanDerWaalsContact C-N 3.27Å; C400-M402 PolarHBondContact O-N 2.02Å; M402-W413 HydrophobicContact CG-CE3 4.31Å; M402-W413 HydrophobicContact CG-CZ3 4.12Å; M402-W413 HydrophobicContact SD-CZ3 3.92Å
403	S	80.6	Confident	75.5	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.049	21%	0.21	C	C	.	.			trans	-62	133.4	173.3	132.6	0	0	0	0	111.3	H379 A397 C399 C400 I401 F405 K410	H379-S403 PolarHBondContact CE1-O 2.99Å; A397-S403 VanDerWaalsContact O-CB 3.26Å; A397-S403 WeakPolarHBondContact O-CB 3.47Å; A397-S403 PolarHBondContact O-OG 3.39Å; C399-S403 WeakPolarHBondContact O-CB 3.23Å; C400-S403 WeakPolarHBondContact O-CB 3.36Å; C400-S403 PolarHBondContact O-N 2.78Å; I401-S403 VanDerWaalsContact C-N 3.28Å; I401-S403 PolarHBondContact O-N 2.89Å; S403-F405 PolarHBondContact O-N 3.12Å; S403-F405 VanDerWaalsContact O-N 3.15Å; S403-F405 PolarHBondContact OG-N 2.9Å; S403-F405 PolarHBondContact OG-O 2.87Å; S403-K410 WeakPolarHBondContact OG-CD 3.2Å; S403-K410 PolarHBondContact OG-NZ 2.99Å
404	P	69	Low	75.9	Confident	9 Å²	9	33.8 Å²	33.8	6%	0.058	21%	0.208	C	C	.	.	S	Bend	trans	-72.3	-4	178.6	30.6	-36.5	0	0	0	114.1	K187 C188 H389 D390	K187-P404 HydrophobicContact CG-CB 4.08Å; C188-P404 HydrophobicContact CB-CB 4.08Å; C188-P404 VanDerWaalsContact CB-O 3.31Å; C188-P404 WeakPolarHBondContact CB-O 3.25Å; C188-P404 PolarHBondContact N-O 2.95Å; H389-P404 HydrophobicContact CB-CB 4.28Å; H389-P404 HydrophobicContact CB-CG 4.37Å; D390-P404 WeakPolarHBondContact O-CD 3.2Å
405	F	66.6	Low	76.5	Confident	52 Å²	52	36 Å²	36	23%	0.228	21%	0.213	C	C	.	.	S	Bend	trans	-108.7	134.3	176.8	-54.1	-75.8	0	0	0	110.4	P183 K187 A397 S403 K410	P183-F405 VanDerWaalsContact O-CD1 3.29Å; P183-F405 WeakPolarHBondContact O-CD1 2.98Å; K187-F405 HydrophobicContact CB-CE1 4.08Å; K187-F405 HydrophobicContact CG-CE1 4.4Å; A397-F405 HydrophobicContact CB-CE2 4.16Å; A397-F405 WeakPolarHBondContact O-CD2 3.21Å; S403-F405 PolarHBondContact O-N 3.12Å; S403-F405 VanDerWaalsContact O-N 3.15Å; S403-F405 PolarHBondContact OG-N 2.9Å; S403-F405 PolarHBondContact OG-O 2.87Å; F405-K410 PolarHBondContact O-NZ 3.31Å
406	V	60.1	Low	76.9	Confident	66 Å²	66	35 Å²	35	40%	0.4	21%	0.207	S	C	.	.			trans	-60.4	146.8	167.8	-174	0	0	0	0	109.4	T177	T177-V406 HydrophobicContact CG2-CG1 3.85Å
407	G	53.7	Low	77.6	Confident	12 Å²	12	30.3 Å²	30.3	12%	0.124	18%	0.181	C	C	.	.			trans	174	160.4	179.4	0	0	0	0	0	114.4
408	D	54.9	Low	78.4	Confident	69 Å²	69	29.5 Å²	29.5	37%	0.369	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	153.7	168.2	-77.2	-49.7	0	0	0	112.4	K174 K410	K174-D408 WeakPolarHBondContact CD-OD1 3.27Å; K174-D408 WeakPolarHBondContact CE-OD1 3.16Å; K174-D408 WeakPolarHBondContact CE-OD2 3.29Å; K174-D408 IonicContact NZ-OD1 2.63Å; K174-D408 PolarHBondContact NZ-OD1 3.29Å; K174-D408 IonicContact NZ-OD2 3.8Å; K174-D408 PolarHBondContact NZ-OD2 2.9Å; D408-K410 VanDerWaalsContact C-N 3.27Å; D408-K410 WeakPolarHBondContact O-CG 3.31Å; D408-K410 PolarHBondContact O-N 2.92Å
409	G	62.9	Low	79.2	Confident	27 Å²	27	23.1 Å²	23.1	28%	0.278	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-8.1	170.9	0	0	0	0	0	116.1	G143 T411	G143-G409 CarbonylContact O-C 3.47Å; G143-G409 VanDerWaalsContact O-CA 3.24Å; G143-G409 WeakPolarHBondContact O-CA 3.46Å; G409-T411 PolarHBondContact O-N 3.31Å; G409-T411 VanDerWaalsContact O-N 3.11Å; G409-T411 PolarHBondContact O-OG1 2.97Å
410	K	74.4	Confident	79.9	Confident	23 Å²	23	21.9 Å²	21.9	10%	0.1	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	72.4	-166.9	-61.6	-168.3	-174.1	-171	0	113.7	Q398 C400 S403 F405 D408	Q398-K410 WeakPolarHBondContact O-CE 3.19Å; C400-K410 WeakPolarHBondContact O-CB 3.22Å; S403-K410 WeakPolarHBondContact OG-CD 3.2Å; S403-K410 PolarHBondContact OG-NZ 2.99Å; F405-K410 PolarHBondContact O-NZ 3.31Å; D408-K410 VanDerWaalsContact C-N 3.27Å; D408-K410 WeakPolarHBondContact O-CG 3.31Å; D408-K410 PolarHBondContact O-N 2.92Å
411	T	77	Confident	80.5	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	-17	-158.6	62.3	0	0	0	0	114.8	G143 F145 F375 I401 G409	G143-T411 WeakPolarHBondContact O-CG2 3.03Å; G143-T411 PolarHBondContact O-OG1 2.79Å; F145-T411 HydrophobicContact CB-CG2 3.89Å; F145-T411 HydrophobicContact CD1-CG2 4.11Å; F145-T411 HydrophobicContact CD2-CG2 3.39Å; F145-T411 VanDerWaalsContact CD2-OG1 3.28Å; F145-T411 WeakPolarHBondContact CD2-OG1 3.45Å; F145-T411 HydrophobicContact CE1-CG2 4.5Å; F145-T411 HydrophobicContact CE2-CG2 3.83Å; F145-T411 WeakPolarHBondContact CE2-OG1 2.73Å; F145-T411 HydrophobicContact CG-CG2 3.55Å; F145-T411 HydrophobicContact CZ-CG2 4.34Å; F375-T411 HydrophobicContact CD1-CG2 4.31Å; F375-T411 HydrophobicContact CE1-CG2 3.63Å; F375-T411 HydrophobicContact CZ-CG2 4.28Å; I401-T411 WeakPolarHBondContact CD1-O 3.35Å; G409-T411 PolarHBondContact O-N 3.31Å; G409-T411 VanDerWaalsContact O-N 3.11Å; G409-T411 PolarHBondContact O-OG1 2.97Å
412	S	86.2	Confident	80.7	Confident	31 Å²	31	21.1 Å²	21.1	22%	0.217	13%	0.131	C	C	.	.	S	Bend	trans	-73.5	160.8	158.1	50.6	0	0	0	0	110.8	C400 I401	C400-S412 CarbonylContact C-O 3.5Å; C400-S412 WeakPolarHBondContact CA-O 2.92Å; C400-S412 VanDerWaalsContact CB-O 3.28Å; C400-S412 WeakPolarHBondContact CB-O 3.46Å; I401-S412 PolarHBondContact N-O 2.88Å
413	W	90.4	Very high	80.7	Confident	6 Å²	6	26.1 Å²	26.1	2%	0.023	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-93.8	141.2	165.9	-60.7	93.8	0	0	0	108.9	L266 F267 T271 I272 A378 M387 I401 M402 V418	L266-W413 PolarHBondContact O-NE1 3.44Å; F267-W413 HydrophobicContact CD1-CH2 4.18Å; F267-W413 AromaticContact CD1-CZ2 3.67Å; F267-W413 HydrophobicContact CD1-CZ2 3.67Å; F267-W413 AromaticContact CE1-CH2 3.4Å; F267-W413 HydrophobicContact CE1-CH2 3.4Å; F267-W413 VanDerWaalsContact CE1-CH2 3.4Å; F267-W413 AromaticContact CE1-CZ2 3.37Å; F267-W413 HydrophobicContact CE1-CZ2 3.37Å; F267-W413 HydrophobicContact CE1-CZ3 4.44Å; F267-W413 HydrophobicContact CE2-CZ2 4.39Å; F267-W413 HydrophobicContact CG-CZ2 4.28Å; F267-W413 AromaticContact CZ-CH2 3.61Å; F267-W413 HydrophobicContact CZ-CH2 3.61Å; F267-W413 AromaticContact CZ-CZ2 3.76Å; F267-W413 HydrophobicContact CZ-CZ2 3.76Å; T271-W413 PolarHBondContact OG1-N 2.9Å; I272-W413 HydrophobicContact CB-CB 4.28Å; I272-W413 VanDerWaalsContact CB-CD1 3.48Å; I272-W413 HydrophobicContact CB-CG 3.91Å; I272-W413 HydrophobicContact CD1-CD2 3.73Å; I272-W413 HydrophobicContact CD1-CE3 4.39Å; I272-W413 HydrophobicContact CD1-CG 3.82Å; I272-W413 HydrophobicContact CD1-CZ2 4.19Å; I272-W413 HydrophobicContact CG1-CG 4.38Å; I272-W413 HydrophobicContact CG2-CG 4.46Å; A378-W413 HydrophobicContact CB-CH2 4.5Å; A378-W413 WeakPolarHBondContact O-CH2 2.38Å; M387-W413 HydrophobicContact CE-CE3 3.85Å; M387-W413 HydrophobicContact CE-CH2 4.19Å; M387-W413 HydrophobicContact CE-CZ3 3.65Å; M387-W413 HydrophobicContact SD-CE3 3.6Å; M387-W413 HydrophobicContact SD-CH2 4.35Å; M387-W413 HydrophobicContact SD-CZ3 3.36Å; M387-W413 WeakPolarHBondContact SD-CZ3 2.71Å; I401-W413 HydrophobicContact CB-CD2 4.41Å; I401-W413 HydrophobicContact CB-CE3 4.06Å; I401-W413 HydrophobicContact CB-CH2 4.43Å; I401-W413 HydrophobicContact CB-CZ3 4.06Å; I401-W413 HydrophobicContact CD1-CD2 3.9Å; I401-W413 HydrophobicContact CD1-CE3 4.35Å; I401-W413 HydrophobicContact CD1-CG 4.4Å; I401-W413 HydrophobicContact CD1-CH2 4.2Å; I401-W413 HydrophobicContact CD1-CZ2 3.72Å; I401-W413 HydrophobicContact CD1-CZ3 4.47Å; I401-W413 HydrophobicContact CG2-CE3 4.28Å; I401-W413 HydrophobicContact CG2-CH2 3.87Å; I401-W413 HydrophobicContact CG2-CZ2 4.45Å; I401-W413 HydrophobicContact CG2-CZ3 3.74Å; M402-W413 HydrophobicContact CG-CE3 4.31Å; M402-W413 HydrophobicContact CG-CZ3 4.12Å; M402-W413 HydrophobicContact SD-CZ3 3.92Å; W413-V418 HydrophobicContact CB-CG2 4.01Å
414	S	90.7	Very high	81.1	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-79.3	156.9	179.8	95.8	0	0	0	0	110.9	D390 C395 C400 C416 S417 V418	D390-S414 VanDerWaalsContact OD1-CB 3.31Å; D390-S414 WeakPolarHBondContact OD1-CB 2.4Å; D390-S414 PolarHBondContact OD1-OG 3.34Å; D390-S414 WeakPolarHBondContact OD2-CB 3.48Å; D390-S414 PolarHBondContact OD2-OG 3.17Å; C395-S414 PolarHBondContact SG-OG 3.44Å; C400-S414 VanDerWaalsContact SG-CB 3.52Å; S414-C416 PolarHBondContact O-N 3.4Å; S414-C416 VanDerWaalsContact O-N 3.15Å; S414-C416 WeakPolarHBondContact OG-CB 3.04Å; S414-C416 PolarHBondContact OG-N 2.86Å; S414-C416 VanDerWaalsContact OG-N 3.09Å; S414-S417 WeakPolarHBondContact CB-OG 2.94Å; S414-S417 PolarHBondContact N-OG 2.99Å; S414-S417 PolarHBondContact O-N 3.11Å; S414-S417 VanDerWaalsContact O-N 3.16Å; S414-S417 PolarHBondContact OG-N 2.8Å; S414-S417 PolarHBondContact OG-OG 2.97Å; S414-V418 VanDerWaalsContact O-CG2 3.3Å; S414-V418 WeakPolarHBondContact O-CG2 2.7Å; S414-V418 PolarHBondContact O-N 2.81Å
415	P	91.3	Very high	82.2	Confident	93 Å²	93	26.9 Å²	26.9	60%	0.604	15%	0.154	S	C	*	.	H	α-helix	trans	-54.4	-31.4	171.3	-25.8	35.4	0	0	0	112.8	A419	P415-A419 VanDerWaalsContact O-CB 3.25Å; P415-A419 WeakPolarHBondContact O-CB 3.41Å; P415-A419 PolarHBondContact O-N 3.41Å
416	C	92	Very high	83.2	Confident	5 Å²	5	27.6 Å²	27.6	3%	0.034	16%	0.155	C	C	.	.	H	α-helix	trans	-71.7	-48.7	176.5	-52.1	0	0	0	0	111.5	N393 C395 S414 V418 A419 E420	N393-C416 HydrophobicContact CB-CB 4.11Å; N393-C416 WeakPolarHBondContact ND2-CB 3.47Å; C395-C416 HydrophobicContact CB-CB 3.77Å; C395-C416 WeakPolarHBondContact CB-SG 3.11Å; C395-C416 PolarHBondContact N-SG 2.89Å; C395-C416 VanDerWaalsContact N-SG 3.36Å; C395-C416 WeakPolarHBondContact SG-CB 3.43Å; C395-C416 PolarHBondContact SG-N 3.28Å; C395-C416 CovalentContact SG-SG 2.04Å; C395-C416 PolarHBondContact SG-SG 2.86Å; S414-C416 PolarHBondContact O-N 3.4Å; S414-C416 VanDerWaalsContact O-N 3.15Å; S414-C416 WeakPolarHBondContact OG-CB 3.04Å; S414-C416 PolarHBondContact OG-N 2.86Å; S414-C416 VanDerWaalsContact OG-N 3.09Å; C416-V418 VanDerWaalsContact C-N 3.28Å; C416-V418 PolarHBondContact O-N 2.94Å; C416-A419 PolarHBondContact O-N 2.89Å; C416-A419 VanDerWaalsContact O-N 3.1Å; C416-E420 WeakPolarHBondContact O-CB 3.46Å; C416-E420 VanDerWaalsContact O-CG 3.3Å; C416-E420 WeakPolarHBondContact O-CG 3.46Å; C416-E420 PolarHBondContact O-N 3.21Å
417	S	93.8	Very high	84.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-38.7	177.2	-5.5	0	0	0	0	111.5	M387 D390 S414 E420 M421	M387-S417 WeakPolarHBondContact CG-O 2.27Å; M387-S417 VanDerWaalsContact SD-CB 3.54Å; D390-S417 PolarHBondContact OD1-OG 2.68Å; D390-S417 PolarHBondContact OD2-OG 2.82Å; S414-S417 WeakPolarHBondContact CB-OG 2.94Å; S414-S417 PolarHBondContact N-OG 2.99Å; S414-S417 PolarHBondContact O-N 3.11Å; S414-S417 VanDerWaalsContact O-N 3.16Å; S414-S417 PolarHBondContact OG-N 2.8Å; S414-S417 PolarHBondContact OG-OG 2.97Å; S417-E420 PolarHBondContact O-N 2.86Å; S417-M421 WeakPolarHBondContact O-CB 2.26Å; S417-M421 PolarHBondContact O-N 2.84Å
418	V	94.2	Very high	85.7	Confident	12 Å²	12	28.8 Å²	28.8	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-44.7	173.8	176.3	0	0	0	0	111.4	L210 T271 W413 S414 C416 M421 N422	L210-V418 HydrophobicContact CD1-CG1 4.01Å; T271-V418 WeakPolarHBondContact O-CG2 3.22Å; W413-V418 HydrophobicContact CB-CG2 4.01Å; S414-V418 VanDerWaalsContact O-CG2 3.3Å; S414-V418 WeakPolarHBondContact O-CG2 2.7Å; S414-V418 PolarHBondContact O-N 2.81Å; C416-V418 VanDerWaalsContact C-N 3.28Å; C416-V418 PolarHBondContact O-N 2.94Å; V418-M421 PolarHBondContact O-N 2.89Å; V418-N422 WeakPolarHBondContact O-CB 3.07Å; V418-N422 PolarHBondContact O-N 3.31Å; V418-N422 PolarHBondContact O-ND2 2.87Å
419	A	91.1	Very high	87	Confident	7 Å²	7	27.2 Å²	27.2	6%	0.058	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-37.8	177.3	0	0	0	0	0	112.8	L205 L210 P415 C416 K423	L205-A419 HydrophobicContact CD2-CB 3.78Å; L210-A419 HydrophobicContact CD1-CB 4.2Å; L210-A419 HydrophobicContact CD2-CB 3.69Å; L210-A419 HydrophobicContact CG-CB 4.14Å; P415-A419 VanDerWaalsContact O-CB 3.25Å; P415-A419 WeakPolarHBondContact O-CB 3.41Å; P415-A419 PolarHBondContact O-N 3.41Å; C416-A419 PolarHBondContact O-N 2.89Å; C416-A419 VanDerWaalsContact O-N 3.1Å; A419-K423 VanDerWaalsContact O-CB 3.27Å; A419-K423 WeakPolarHBondContact O-CB 3.02Å; A419-K423 PolarHBondContact O-N 3Å
420	E	91.7	Very high	87.8	Confident	18 Å²	18	33.5 Å²	33.5	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-42.9	176.7	-70.6	177.1	140.6	0	0	111.8	L205 M388 N393 C416 S417 K423 F424	L205-E420 HydrophobicContact CD1-CG 3.89Å; M388-E420 WeakPolarHBondContact CB-OE1 3.43Å; M388-E420 VanDerWaalsContact CG-OE1 3.27Å; M388-E420 WeakPolarHBondContact CG-OE1 3.5Å; M388-E420 PolarHBondContact N-OE2 3.35Å; N393-E420 VanDerWaalsContact CB-OE1 3.32Å; N393-E420 WeakPolarHBondContact CB-OE1 3.46Å; N393-E420 PolarHBondContact ND2-OE2 3.29Å; N393-E420 VanDerWaalsContact ND2-OE2 3.12Å; C416-E420 WeakPolarHBondContact O-CB 3.46Å; C416-E420 VanDerWaalsContact O-CG 3.3Å; C416-E420 WeakPolarHBondContact O-CG 3.46Å; C416-E420 PolarHBondContact O-N 3.21Å; S417-E420 PolarHBondContact O-N 2.86Å; E420-K423 WeakPolarHBondContact O-CB 3.39Å; E420-K423 PolarHBondContact O-N 2.7Å; E420-F424 PolarHBondContact O-N 2.94Å
421	M	94.2	Very high	87.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-45.7	171.7	-178.4	-165.7	77.4	0	0	112	I272 P274 L276 L385 M387 S417 V418 K423 F424 L425	I272-M421 HydrophobicContact CD1-CE 4.21Å; I272-M421 HydrophobicContact CD1-SD 3.7Å; I272-M421 HydrophobicContact CG1-CE 3.79Å; I272-M421 HydrophobicContact CG1-SD 3.98Å; P274-M421 HydrophobicContact CG-CE 4.3Å; P274-M421 WeakPolarHBondContact O-CE 3.24Å; L276-M421 HydrophobicContact CD1-SD 3.97Å; L276-M421 HydrophobicContact CG-SD 4.35Å; L385-M421 HydrophobicContact CB-CG 4.35Å; M387-M421 HydrophobicContact CE-CB 3.69Å; M387-M421 HydrophobicContact CE-CG 4.01Å; M387-M421 HydrophobicContact CE-SD 3.86Å; M387-M421 HydrophobicContact CG-CB 4.23Å; S417-M421 WeakPolarHBondContact O-CB 2.26Å; S417-M421 PolarHBondContact O-N 2.84Å; V418-M421 PolarHBondContact O-N 2.89Å; M421-K423 PolarHBondContact O-N 3.2Å; M421-F424 WeakPolarHBondContact O-CB 2.94Å; M421-F424 PolarHBondContact O-N 3.42Å; M421-F424 VanDerWaalsContact O-N 3.14Å; M421-L425 HydrophobicContact CE-CD1 4.07Å; M421-L425 HydrophobicContact CG-CD1 3.98Å; M421-L425 HydrophobicContact CG-CG 4.35Å; M421-L425 WeakPolarHBondContact O-CB 3.03Å; M421-L425 WeakPolarHBondContact O-CG 3.32Å; M421-L425 PolarHBondContact O-N 3.14Å; M421-L425 HydrophobicContact SD-CD1 4.42Å
422	N	92.6	Very high	87.2	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-38.1	175.6	-83.9	-80.3	0	0	0	111.4	E214 F215 A216 V273 P274 V418 R426	E214-N422 WeakPolarHBondContact O-CB 3.31Å; F215-N422 VanDerWaalsContact CA-OD1 3.31Å; F215-N422 WeakPolarHBondContact CA-OD1 3.19Å; A216-N422 PolarHBondContact N-OD1 3.22Å; V273-N422 PolarHBondContact O-ND2 2.98Å; P274-N422 WeakPolarHBondContact CD-OD1 3.3Å; V418-N422 WeakPolarHBondContact O-CB 3.07Å; V418-N422 PolarHBondContact O-N 3.31Å; V418-N422 PolarHBondContact O-ND2 2.87Å; N422-R426 WeakPolarHBondContact O-CB 3.48Å; N422-R426 WeakPolarHBondContact O-CG 3.05Å; N422-R426 PolarHBondContact O-N 3.45Å; N422-R426 PolarHBondContact O-NH1 3.36Å
423	K	88.3	Confident	86	Confident	104 Å²	104	49.4 Å²	49.4	45%	0.452	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-47.3	173.3	176.5	-170.8	172.9	-167.1	0	110.3	A419 E420 M421 R426 H427	A419-K423 VanDerWaalsContact O-CB 3.27Å; A419-K423 WeakPolarHBondContact O-CB 3.02Å; A419-K423 PolarHBondContact O-N 3Å; E420-K423 WeakPolarHBondContact O-CB 3.39Å; E420-K423 PolarHBondContact O-N 2.7Å; M421-K423 PolarHBondContact O-N 3.2Å; K423-R426 PolarHBondContact O-N 3.48Å; K423-H427 PolarHBondContact O-N 3.49Å; K423-H427 VanDerWaalsContact O-N 3.08Å; K423-H427 PolarHBondContact O-ND1 3.47Å
424	F	88.8	Confident	84.5	Confident	32 Å²	32	57 Å²	57	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-52.4	176.5	175.7	-95.4	0	0	0	111.7	M356 L385 E420 M421 R426 H427 L428	M356-F424 HydrophobicContact CB-CE1 3.92Å; M356-F424 HydrophobicContact CB-CZ 3.8Å; M356-F424 HydrophobicContact CG-CE1 4.47Å; L385-F424 HydrophobicContact CD2-CE1 4.45Å; L385-F424 WeakPolarHBondContact O-CB 2.25Å; L385-F424 VanDerWaalsContact O-CG 3.24Å; L385-F424 WeakPolarHBondContact O-CG 3.41Å; E420-F424 PolarHBondContact O-N 2.94Å; M421-F424 WeakPolarHBondContact O-CB 2.94Å; M421-F424 PolarHBondContact O-N 3.42Å; M421-F424 VanDerWaalsContact O-N 3.14Å; F424-R426 VanDerWaalsContact C-N 3.33Å; F424-R426 PolarHBondContact O-N 2.92Å; F424-H427 CarbonylContact O-C 3.43Å; F424-H427 WeakPolarHBondContact O-CA 3.33Å; F424-H427 WeakPolarHBondContact O-CB 3.45Å; F424-H427 PolarHBondContact O-N 3.21Å; F424-L428 HydrophobicContact CE1-CD2 4.33Å; F424-L428 PolarHBondContact O-N 2.9Å
425	L	91.2	Very high	83.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-55.8	-45.1	176.7	-68.3	169.8	0	0	0	111.4	A216 L223 P274 L276 M421 H427 L428 S429 L438	A216-L425 HydrophobicContact CB-CB 3.52Å; A216-L425 HydrophobicContact CB-CD1 4.14Å; A216-L425 HydrophobicContact CB-CG 4.49Å; L223-L425 HydrophobicContact CD1-CD1 3.83Å; L223-L425 HydrophobicContact CD1-CD2 4.15Å; P274-L425 HydrophobicContact CG-CD1 3.66Å; L276-L425 HydrophobicContact CD2-CD1 4.46Å; M421-L425 HydrophobicContact CE-CD1 4.07Å; M421-L425 HydrophobicContact CG-CD1 3.98Å; M421-L425 HydrophobicContact CG-CG 4.35Å; M421-L425 WeakPolarHBondContact O-CB 3.03Å; M421-L425 WeakPolarHBondContact O-CG 3.32Å; M421-L425 PolarHBondContact O-N 3.14Å; M421-L425 HydrophobicContact SD-CD1 4.42Å; L425-H427 PolarHBondContact O-N 3.19Å; L425-L428 WeakPolarHBondContact O-CB 3.29Å; L425-L428 PolarHBondContact O-N 2.93Å; L425-L428 VanDerWaalsContact O-N 3.1Å; L425-S429 PolarHBondContact O-N 2.88Å; L425-S429 PolarHBondContact O-OG 3.38Å; L425-L438 HydrophobicContact CD2-CD1 3.74Å
426	R	87	Confident	83	Confident	67 Å²	67	55.9 Å²	55.9	25%	0.253	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-18.8	173.8	-73	-161.6	-47.9	-70	24.4	114.5	E214 A216 N422 K423 F424 K430	E214-R426 VanDerWaalsContact O-CZ 3.22Å; E214-R426 PolarHBondContact O-NH1 2.88Å; E214-R426 PolarHBondContact O-NH2 2.93Å; A216-R426 HydrophobicContact CB-CG 4.07Å; N422-R426 WeakPolarHBondContact O-CB 3.48Å; N422-R426 WeakPolarHBondContact O-CG 3.05Å; N422-R426 PolarHBondContact O-N 3.45Å; N422-R426 PolarHBondContact O-NH1 3.36Å; K423-R426 PolarHBondContact O-N 3.48Å; F424-R426 VanDerWaalsContact C-N 3.33Å; F424-R426 PolarHBondContact O-N 2.92Å; R426-K430 WeakPolarHBondContact O-CB 3.45Å; R426-K430 VanDerWaalsContact O-CD 3.29Å; R426-K430 WeakPolarHBondContact O-CD 3.22Å; R426-K430 WeakPolarHBondContact O-CG 3.03Å
427	H	82.3	Confident	82.8	Confident	92 Å²	92	55.9 Å²	55.9	43%	0.426	27%	0.267	S	S	.	.	H	α-helix	trans	-85.2	-35.9	169.9	-73.8	77.8	0	0	0	111.5	K423 F424 L425 K430 Q431	K423-H427 PolarHBondContact O-N 3.49Å; K423-H427 VanDerWaalsContact O-N 3.08Å; K423-H427 PolarHBondContact O-ND1 3.47Å; F424-H427 CarbonylContact O-C 3.43Å; F424-H427 WeakPolarHBondContact O-CA 3.33Å; F424-H427 WeakPolarHBondContact O-CB 3.45Å; F424-H427 PolarHBondContact O-N 3.21Å; L425-H427 PolarHBondContact O-N 3.19Å; H427-K430 PolarHBondContact O-N 3.03Å; H427-Q431 WeakPolarHBondContact O-CG 3.28Å; H427-Q431 PolarHBondContact O-N 2.98Å; H427-Q431 PolarHBondContact O-NE2 2.91Å
428	L	84.3	Confident	82.7	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-51.6	174.8	-170.4	67.2	0	0	0	110.8	C357 F424 L425 K430 Q431 W432 H436 L438	C357-L428 HydrophobicContact CB-CD1 4.34Å; F424-L428 HydrophobicContact CE1-CD2 4.33Å; F424-L428 PolarHBondContact O-N 2.9Å; L425-L428 WeakPolarHBondContact O-CB 3.29Å; L425-L428 PolarHBondContact O-N 2.93Å; L425-L428 VanDerWaalsContact O-N 3.1Å; L428-K430 PolarHBondContact O-N 2.71Å; L428-Q431 PolarHBondContact O-N 3.32Å; L428-W432 PolarHBondContact O-N 2.79Å; L428-H436 HydrophobicContact CD1-CB 4.47Å; L428-H436 HydrophobicContact CD2-CB 4.28Å; L428-H436 HydrophobicContact CG-CB 3.98Å; L428-L438 HydrophobicContact CD2-CD1 3.85Å; L428-L438 HydrophobicContact CD2-CG 3.99Å
429	S	83.3	Confident	82.2	Confident	36 Å²	36	57.3 Å²	57.3	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-68.7	-12	175.1	-31.5	0	0	0	0	114	L425 P433 H436	L425-S429 PolarHBondContact O-N 2.88Å; L425-S429 PolarHBondContact O-OG 3.38Å; S429-P433 VanDerWaalsContact O-CA 3.31Å; S429-P433 WeakPolarHBondContact O-CA 3.19Å; S429-H436 PolarHBondContact OG-NE2 3.12Å
430	K	78.1	Confident	81.3	Confident	158 Å²	158	58.5 Å²	58.5	69%	0.687	28%	0.278	S	S	*	.	H	α-helix	trans	-85.1	-29.7	168.8	-82.7	176.1	-176.4	-175.6	0	113.1	R426 H427 L428	R426-K430 WeakPolarHBondContact O-CB 3.45Å; R426-K430 VanDerWaalsContact O-CD 3.29Å; R426-K430 WeakPolarHBondContact O-CD 3.22Å; R426-K430 WeakPolarHBondContact O-CG 3.03Å; H427-K430 PolarHBondContact O-N 3.03Å; L428-K430 PolarHBondContact O-N 2.71Å
431	Q	71.9	Confident	79.9	Confident	137 Å²	137	65.6 Å²	65.6	64%	0.64	31%	0.312	S	S	*	.	H	α-helix	trans	-77.2	-33	173.9	-70.4	169.1	47.4	0	0	111.1	H427 L428	H427-Q431 WeakPolarHBondContact O-CG 3.28Å; H427-Q431 PolarHBondContact O-N 2.98Å; H427-Q431 PolarHBondContact O-NE2 2.91Å; L428-Q431 PolarHBondContact O-N 3.32Å
432	W	68.7	Low	77.9	Confident	155 Å²	155	68.9 Å²	68.9	59%	0.587	33%	0.329	S	S	*	.	S	Bend	trans	-132.3	81.2	-176	-60.2	94.1	0	0	0	110.3	L428 N434 H436	L428-W432 PolarHBondContact O-N 2.79Å; W432-N434 VanDerWaalsContact C-N 3.34Å; W432-N434 PolarHBondContact O-N 3.02Å; W432-H436 HydrophobicContact CB-CB 3.82Å; W432-H436 HydrophobicContact CG-CB 4.29Å
433	P	59.4	Low	75.8	Confident	102 Å²	102	74.2 Å²	74.2	66%	0.662	36%	0.358	S	S	*	.	S	Bend	trans	-68.5	-22.9	-167.2	-25.2	36.8	0	0	0	116.9	S429	S429-P433 VanDerWaalsContact O-CA 3.31Å; S429-P433 WeakPolarHBondContact O-CA 3.19Å
434	N	59.6	Low	73.4	Confident	164 Å²	164	79.1 Å²	79.1	88%	0.877	38%	0.375	S	S	*	.	S	Bend	trans	-101.1	-38.8	-171.2	-60.7	-13.1	0	0	0	112.6	W432	W432-N434 VanDerWaalsContact C-N 3.34Å; W432-N434 PolarHBondContact O-N 3.02Å
435	K	68.9	Low	71.1	Confident	71 Å²	71	84.2 Å²	84.2	31%	0.309	40%	0.404	S	S	.	.			trans	-162.9	136.2	176.3	-169.5	-177.1	-179.3	-166.1	0	107.7	M439 D440	K435-M439 WeakPolarHBondContact CE-O 3.03Å; K435-M439 HydrophobicContact CG-CB 4.38Å; K435-D440 VanDerWaalsContact CE-OD1 3.29Å; K435-D440 WeakPolarHBondContact CE-OD1 3.3Å; K435-D440 IonicContact NZ-OD1 2.7Å; K435-D440 PolarHBondContact NZ-OD1 3.34Å
436	H	81.5	Confident	68.2	Low	2 Å²	2	90.9 Å²	90.9	1%	0.009	44%	0.439	C	S	.	.			trans	-124.2	143.9	164.1	52.5	59.7	0	0	0	108.3	L428 S429 W432 L438 M439	L428-H436 HydrophobicContact CD1-CB 4.47Å; L428-H436 HydrophobicContact CD2-CB 4.28Å; L428-H436 HydrophobicContact CG-CB 3.98Å; S429-H436 PolarHBondContact OG-NE2 3.12Å; W432-H436 HydrophobicContact CB-CB 3.82Å; W432-H436 HydrophobicContact CG-CB 4.29Å; H436-L438 VanDerWaalsContact C-N 3.31Å; H436-L438 CarbonylContact O-C 3.49Å; H436-L438 PolarHBondContact O-N 2.84Å; H436-M439 VanDerWaalsContact CE1-CG 3.48Å; H436-M439 WeakPolarHBondContact CE1-CG 2.79Å; H436-M439 WeakPolarHBondContact O-CB 3.49Å; H436-M439 PolarHBondContact O-N 3.38Å
437	C	87.7	Confident	65.5	Low	4 Å²	4	95.6 Å²	95.6	3%	0.027	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	11.5	-79.2	154.3	54.3	0	0	0	0	115.2	D322 D329 C357 M439 D440	D322-C437 VanDerWaalsContact OD1-CA 3.27Å; D322-C437 WeakPolarHBondContact OD1-CA 3.49Å; D322-C437 VanDerWaalsContact OD1-CB 3.31Å; D322-C437 WeakPolarHBondContact OD1-CB 3.21Å; D322-C437 PolarHBondContact OD1-N 3.43Å; D322-C437 PolarHBondContact OD2-N 2.91Å; D329-C437 VanDerWaalsContact OD1-CB 3.23Å; D329-C437 WeakPolarHBondContact OD1-CB 3.21Å; C357-C437 HydrophobicContact CB-CB 3.73Å; C357-C437 WeakPolarHBondContact CB-SG 3.36Å; C357-C437 WeakPolarHBondContact SG-CB 2.98Å; C357-C437 CovalentContact SG-SG 2.03Å; C357-C437 PolarHBondContact SG-SG 3.34Å; C437-M439 PolarHBondContact O-N 3.26Å; C437-D440 VanDerWaalsContact O-OD2 3.11Å
438	L	91	Very high	63.1	Low	0 Å²	0	97.3 Å²	97.3	0%	0	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-61.7	10.9	-179.7	-42.5	-174.3	0	0	0	116.7	L223 V224 I225 D329 M356 C357 L385 L425 L428 H436	L223-L438 CarbonylContact C-O 3.47Å; L223-L438 WeakPolarHBondContact CA-O 3.45Å; L223-L438 HydrophobicContact CD2-CB 4.31Å; L223-L438 VanDerWaalsContact CD2-O 3.29Å; L223-L438 WeakPolarHBondContact CD2-O 3.36Å; V224-L438 PolarHBondContact N-O 3.41Å; V224-L438 VanDerWaalsContact O-CA 3.23Å; V224-L438 WeakPolarHBondContact O-CA 3.48Å; V224-L438 WeakPolarHBondContact O-CB 3.25Å; V224-L438 WeakPolarHBondContact O-CD2 3.35Å; I225-L438 HydrophobicContact CG1-CD2 4.26Å; D329-L438 HydrophobicContact CB-CD2 4.18Å; D329-L438 WeakPolarHBondContact OD2-CD2 3.46Å; M356-L438 HydrophobicContact CG-CD1 4.24Å; M356-L438 HydrophobicContact CG-CD2 3.97Å; M356-L438 HydrophobicContact SD-CD2 4.25Å; C357-L438 WeakPolarHBondContact SG-CD2 3.27Å; L385-L438 HydrophobicContact CD2-CD1 4.34Å; L425-L438 HydrophobicContact CD2-CD1 3.74Å; L428-L438 HydrophobicContact CD2-CD1 3.85Å; L428-L438 HydrophobicContact CD2-CG 3.99Å; H436-L438 VanDerWaalsContact C-N 3.31Å; H436-L438 CarbonylContact O-C 3.49Å; H436-L438 PolarHBondContact O-N 2.84Å
439	M	83.8	Confident	60.3	Low	42 Å²	42	101.9 Å²	101.9	21%	0.207	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-131.4	43.6	-178.1	-74.4	179.9	174.2	0	0	112.2	L223 K435 H436 C437	L223-M439 HydrophobicContact CD2-CE 3.78Å; L223-M439 HydrophobicContact CD2-CG 3.71Å; K435-M439 WeakPolarHBondContact CE-O 3.03Å; K435-M439 HydrophobicContact CG-CB 4.38Å; H436-M439 VanDerWaalsContact CE1-CG 3.48Å; H436-M439 WeakPolarHBondContact CE1-CG 2.79Å; H436-M439 WeakPolarHBondContact O-CB 3.49Å; H436-M439 PolarHBondContact O-N 3.38Å; C437-M439 PolarHBondContact O-N 3.26Å
440	D	73.1	Confident	57.5	Low	32 Å²	32	109.6 Å²	109.6	17%	0.171	53%	0.531	C	S	.	.			trans	-68.9	161.1	173.6	-88.1	-58	0	0	0	115.5	K435 C437	K435-D440 VanDerWaalsContact CE-OD1 3.29Å; K435-D440 WeakPolarHBondContact CE-OD1 3.3Å; K435-D440 IonicContact NZ-OD1 2.7Å; K435-D440 PolarHBondContact NZ-OD1 3.34Å; C437-D440 VanDerWaalsContact O-OD2 3.11Å
441	E	62.2	Low	54.8	Low	168 Å²	168	110.1 Å²	110.1	79%	0.785	53%	0.533	S	S	*	.			trans	-82.4	120.4	-174.3	-66.4	-179.1	167.3	0	0	111.6	D443	E441-D443 PolarHBondContact O-N 2.71Å; E441-D443 VanDerWaalsContact O-N 3.16Å
442	D	53.2	Low	52.5	Low	68 Å²	68	111.7 Å²	111.7	36%	0.364	55%	0.545	S	S	.	.			trans	-72.4	99.9	169.7	-88.5	-59.3	0	0	0	110.4	R277 Y444	R277-D442 IonicContact CZ-OD1 2.77Å; R277-D442 IonicContact CZ-OD2 3.97Å; R277-D442 IonicContact NH1-OD1 3.1Å; R277-D442 PolarHBondContact NH1-OD1 3.12Å; R277-D442 IonicContact NH1-OD2 2.89Å; R277-D442 IonicContact NH2-OD1 3.51Å; R277-D442 PolarHBondContact NH2-OD1 2.74Å; R277-D442 IonicContact NH2-OD2 3.48Å; R277-D442 PolarHBondContact NH2-OD2 2.89Å; D442-Y444 HydrophobicContact CB-CD2 4.18Å; D442-Y444 HydrophobicContact CB-CE2 4.06Å; D442-Y444 WeakPolarHBondContact O-CD2 3.39Å; D442-Y444 PolarHBondContact O-N 3.35Å
443	D	47.2	Very low	50.5	Low	112 Å²	112	111.7 Å²	111.7	60%	0.599	55%	0.551	S	S	*	*			trans	-78.4	109.1	172	-142.6	-26.2	0	0	0	109.6	R88 E441	R88-D443 IonicContact CZ-OD2 2.68Å; R88-D443 IonicContact NH1-OD2 3.53Å; R88-D443 PolarHBondContact NH1-OD2 3.41Å; R88-D443 IonicContact NH2-OD2 3.67Å; R88-D443 PolarHBondContact NH2-OD2 3Å; E441-D443 PolarHBondContact O-N 2.71Å; E441-D443 VanDerWaalsContact O-N 3.16Å
444	Y	39.4	Very low	49.2	Very low	207 Å²	207	111.6 Å²	111.6	81%	0.812	56%	0.559	S	S	*	*			trans	-85.9	147.7	-168.5	-98.4	-103.3	0	0	0	113.4	D442	D442-Y444 HydrophobicContact CB-CD2 4.18Å; D442-Y444 HydrophobicContact CB-CE2 4.06Å; D442-Y444 WeakPolarHBondContact O-CD2 3.39Å; D442-Y444 PolarHBondContact O-N 3.35Å
445	D	38.9	Very low	47.9	Very low	140 Å²	140	109.1 Å²	109.1	75%	0.749	56%	0.555	S	S	*	*			trans	-126.8	146.3	172.8	-179.7	31	0	0	0	111.6
446	D	31.1	Very low	46.3	Very low	140 Å²	140	112 Å²	112	75%	0.749	58%	0.578	S	S	*	*			trans	-131.2	75.8	-174.1	178.9	33.7	0	0	0	113
447	H	30.3	Very low	45	Very low	167 Å²	167	118.7 Å²	118.7	77%	0.773	61%	0.614	S	S	*	*			trans	-142.1	97.7	168.9	-86.1	-17.4	0	0	0	113.5
448	M	30.9	Very low	43.5	Very low	128 Å²	128	125.9 Å²	125.9	63%	0.631	65%	0.645	S	S	*	*			trans	-112.7	120.2	171.3	-70	-124.2	78.9	0	0	112.5	Q62	Q62-M448 HydrophobicContact CB-CE 4.45Å; Q62-M448 HydrophobicContact CB-SD 4.2Å
449	V	26.8	Very low	42.6	Very low	107 Å²	107	127.5 Å²	127.5	65%	0.648	65%	0.653	S	S	*	*			trans	-124.1	108.6	-173.9	-179.1	0	0	0	0	114.8
450	K	23.6	Very low	41.8	Very low	197 Å²	197	126.3 Å²	126.3	86%	0.857	65%	0.649	S	S	*	*			trans	54	152.9	151.4	-74.1	-176.8	175.3	176.6	0	122.3
451	K	22.5	Very low	41.7	Very low	170 Å²	170	124.8 Å²	124.8	74%	0.739	64%	0.64	S	S	*	*			trans	-102.7	149.3	-173.7	177	-165.8	174	-145.7	0	111	E453	K451-E453 WeakPolarHBondContact CE-OE1 3.37Å; K451-E453 IonicContact NZ-OE1 3.21Å; K451-E453 PolarHBondContact NZ-OE1 3.48Å
452	L	23.6	Very low	42.4	Very low	169 Å²	169	118.1 Å²	118.1	89%	0.885	61%	0.609	S	S	*	*			trans	-152.1	164.6	168.3	-164.1	57.9	0	0	0	111.2
453	E	25.9	Very low	43.2	Very low	156 Å²	156	119.2 Å²	119.2	73%	0.729	61%	0.613	S	S	*	*			trans	-117.5	-162.7	-161.9	-63.4	176.4	164.7	0	0	113.4	K451	K451-E453 WeakPolarHBondContact CE-OE1 3.37Å; K451-E453 IonicContact NZ-OE1 3.21Å; K451-E453 PolarHBondContact NZ-OE1 3.48Å
454	A	31.6	Very low	44.2	Very low	100 Å²	100	116.9 Å²	116.9	83%	0.826	60%	0.596	S	S	*	*			trans	-124	170.3	-147.7	0	0	0	0	0	117.8
455	S	32.3	Very low	46.2	Very low	112 Å²	112	107.3 Å²	107.3	78%	0.783	56%	0.56	S	S	*	*			trans	-165.1	126.6	165.8	46.1	0	0	0	0	116.2
456	V	36.4	Very low	48.3	Very low	131 Å²	131	101.7 Å²	101.7	79%	0.794	53%	0.531	S	S	*	.			trans	46.9	149	135.2	-167.3	0	0	0	0	121.4
457	D	54.6	Low	50.6	Low	143 Å²	143	96.6 Å²	96.6	77%	0.765	50%	0.503	S	S	*	.				-173.4	111.4	-61.9	-92.5	-40.5	0	0	0	110
458	K	56.5	Low	53	Low	155 Å²	155	90.6 Å²	90.6	67%	0.674	48%	0.475	S	S	*	.			trans	-153.4	145.1	165.2	-75.9	-165.2	178.6	-179	0	109.7	M463	K458-M463 HydrophobicContact CB-CG 4.42Å; K458-M463 HydrophobicContact CB-SD 4.32Å
459	L	70.1	Confident	55.2	Low	33 Å²	33	84.5 Å²	84.5	17%	0.173	45%	0.445	C	S	.	.			trans	-91.4	148.6	177.2	-59.6	-169	0	0	0	112.1	T21 G461 Q462 E512 L523 W530	T21-L459 HydrophobicContact CG2-CD2 4.33Å; L459-G461 VanDerWaalsContact C-N 3.32Å; L459-G461 PolarHBondContact O-N 3.4Å; L459-Q462 HydrophobicContact CB-CG 4.43Å; L459-Q462 WeakPolarHBondContact O-CB 3.49Å; L459-Q462 PolarHBondContact O-N 2.97Å; L459-Q462 VanDerWaalsContact O-N 3.15Å; L459-E512 WeakPolarHBondContact CB-O 3.27Å; L459-E512 HydrophobicContact CD1-CG 3.91Å; L459-L523 HydrophobicContact CD1-CD2 4.46Å; L459-W530 HydrophobicContact CD1-CH2 3.67Å; L459-W530 HydrophobicContact CD1-CZ3 4.12Å; L459-W530 HydrophobicContact CG-CH2 4.15Å
460	P	67.5	Low	57.4	Low	18 Å²	18	79.4 Å²	79.4	12%	0.117	41%	0.414	C	S	.	.	H	α-helix	trans	-56	-40.4	-173.1	-28.9	37.9	0	0	0	114.5	R165 Q462 M463 Y464 L511	R165-P460 HydrophobicContact CB-CB 4.12Å; R165-P460 HydrophobicContact CB-CG 3.8Å; P460-Q462 PolarHBondContact O-N 2.96Å; P460-M463 WeakPolarHBondContact O-CB 3.42Å; P460-M463 PolarHBondContact O-N 3.31Å; P460-M463 VanDerWaalsContact O-N 3.08Å; P460-Y464 WeakPolarHBondContact O-CD2 3.31Å; P460-Y464 PolarHBondContact O-N 3.08Å; P460-L511 HydrophobicContact CB-CD1 4.39Å; P460-L511 HydrophobicContact CB-CD2 3.73Å; P460-L511 HydrophobicContact CB-CG 4.46Å
461	G	71.9	Confident	59.8	Low	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-72.4	-15.9	-176.2	0	0	0	0	0	114.8	L459 Y464 E512 G513 T514	L459-G461 VanDerWaalsContact C-N 3.32Å; L459-G461 PolarHBondContact O-N 3.4Å; G461-Y464 VanDerWaalsContact O-O 3.07Å; G461-E512 WeakPolarHBondContact CA-O 3.32Å; G461-E512 PolarHBondContact N-O 3.17Å; G461-G513 VanDerWaalsContact C-C 3.42Å; G461-G513 CarbonylContact C-O 3.59Å; G461-T514 WeakPolarHBondContact CA-OG1 3.48Å; G461-T514 WeakPolarHBondContact O-CA 3.37Å; G461-T514 PolarHBondContact O-OG1 2.96Å; G461-T514 VanDerWaalsContact O-OG1 3.11Å
462	Q	76.5	Confident	61.5	Low	27 Å²	27	63 Å²	63	13%	0.126	34%	0.343	C	S	.	.	H	α-helix	trans	-82.2	-23.9	172.5	-57.4	177.8	-42.4	0	0	111.8	L459 P460 G513 W530 P536 N578 N579	L459-Q462 HydrophobicContact CB-CG 4.43Å; L459-Q462 WeakPolarHBondContact O-CB 3.49Å; L459-Q462 PolarHBondContact O-N 2.97Å; L459-Q462 VanDerWaalsContact O-N 3.15Å; P460-Q462 PolarHBondContact O-N 2.96Å; Q462-G513 VanDerWaalsContact CG-O 3.28Å; Q462-G513 WeakPolarHBondContact CG-O 3.41Å; Q462-G513 PolarHBondContact N-O 2.7Å; Q462-W530 HydrophobicContact CG-CH2 4.44Å; Q462-P536 HydrophobicContact CG-CB 4.18Å; Q462-N578 PolarHBondContact O-ND2 2.88Å; Q462-N578 VanDerWaalsContact O-ND2 3.13Å; Q462-N579 WeakPolarHBondContact CA-OD1 3.42Å; Q462-N579 PolarHBondContact O-ND2 3.21Å
463	M	69.9	Low	62.6	Low	92 Å²	92	54.9 Å²	54.9	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-82.8	-28	179.4	-65.6	176	60.1	0	0	111.3	K458 P460	K458-M463 HydrophobicContact CB-CG 4.42Å; K458-M463 HydrophobicContact CB-SD 4.32Å; P460-M463 WeakPolarHBondContact O-CB 3.42Å; P460-M463 PolarHBondContact O-N 3.31Å; P460-M463 VanDerWaalsContact O-N 3.08Å
464	Y	69	Low	64.1	Low	62 Å²	62	48.5 Å²	48.5	24%	0.243	27%	0.271	C	S	.	.	S	Bend	trans	-144.2	135.1	-173.1	-47.2	-90.1	0	0	0	113.8	F162 G163 P460 G461 Q468 Q469	F162-Y464 WeakPolarHBondContact O-CB 3.08Å; G163-Y464 VanDerWaalsContact N-CE1 3.34Å; G163-Y464 WeakPolarHBondContact O-CD2 3.45Å; G163-Y464 VanDerWaalsContact O-CE2 3.31Å; G163-Y464 WeakPolarHBondContact O-CE2 3.37Å; G163-Y464 VanDerWaalsContact O-CG 3.27Å; P460-Y464 WeakPolarHBondContact O-CD2 3.31Å; P460-Y464 PolarHBondContact O-N 3.08Å; G461-Y464 VanDerWaalsContact O-O 3.07Å; Y464-Q468 VanDerWaalsContact CA-OE1 3.26Å; Y464-Q469 PolarHBondContact O-NE2 3.3Å
465	T	81.1	Confident	65.2	Low	6 Å²	6	44.6 Å²	44.6	4%	0.037	24%	0.241	C	C	.	.			trans	-74	166.8	-168.7	87.5	0	0	0	0	113.1	D467 Q468 Q469 P576 A577 N578	T465-D467 PolarHBondContact O-N 3.47Å; T465-D467 WeakPolarHBondContact OG1-CB 3.49Å; T465-D467 PolarHBondContact OG1-N 2.64Å; T465-Q468 HydrophobicContact CG2-CG 4.2Å; T465-Q468 VanDerWaalsContact N-OE1 3.08Å; T465-Q468 PolarHBondContact O-N 3.45Å; T465-Q468 PolarHBondContact OG1-N 3.15Å; T465-Q469 WeakPolarHBondContact O-CB 3.39Å; T465-Q469 VanDerWaalsContact O-CG 3.31Å; T465-Q469 WeakPolarHBondContact O-CG 3.07Å; T465-Q469 PolarHBondContact O-N 3.28Å; T465-Q469 PolarHBondContact O-NE2 3.19Å; T465-P576 HydrophobicContact CG2-CB 3.79Å; T465-P576 HydrophobicContact CG2-CG 3.88Å; T465-A577 WeakPolarHBondContact CB-O 3.13Å; T465-A577 WeakPolarHBondContact CG2-O 3.04Å; T465-N578 HydrophobicContact CG2-CB 3.7Å
466	V	82	Confident	66.7	Low	23 Å²	23	45 Å²	45	14%	0.139	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.6	170.6	-158.4	0	0	0	0	111.1	Q469 C470 H480 V491 V495 T514	V466-Q469 CarbonylContact O-C 3.57Å; V466-Q469 VanDerWaalsContact O-C 3.29Å; V466-Q469 WeakPolarHBondContact O-CA 3.31Å; V466-Q469 WeakPolarHBondContact O-CB 3.07Å; V466-Q469 PolarHBondContact O-N 3.45Å; V466-C470 PolarHBondContact O-N 3.06Å; V466-H480 HydrophobicContact CB-CB 4.07Å; V466-H480 HydrophobicContact CG1-CB 3.77Å; V466-V491 HydrophobicContact CG1-CG2 3.62Å; V466-V491 HydrophobicContact CG2-CG2 4.44Å; V466-V495 HydrophobicContact CG1-CG1 3.91Å; V466-V495 HydrophobicContact CG1-CG2 4.1Å; V466-T514 HydrophobicContact CB-CG2 4.48Å; V466-T514 HydrophobicContact CG2-CG2 3.5Å; V466-T514 VanDerWaalsContact CG2-CG2 3.5Å
467	D	80.5	Confident	68	Low	33 Å²	33	41 Å²	41	18%	0.176	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-37.8	-176.6	-151.6	55.8	0	0	0	111.5	T465 Q469 C470 K471 S479 H480	T465-D467 PolarHBondContact O-N 3.47Å; T465-D467 WeakPolarHBondContact OG1-CB 3.49Å; T465-D467 PolarHBondContact OG1-N 2.64Å; D467-Q469 VanDerWaalsContact C-N 3.28Å; D467-Q469 PolarHBondContact O-N 2.98Å; D467-C470 PolarHBondContact O-N 3.13Å; D467-C470 VanDerWaalsContact O-N 3.08Å; D467-K471 WeakPolarHBondContact O-CG 3.31Å; D467-K471 PolarHBondContact O-N 2.89Å; D467-K471 WeakPolarHBondContact OD2-CE 3.1Å; D467-K471 IonicContact OD2-NZ 2.9Å; D467-K471 PolarHBondContact OD2-NZ 2.89Å; D467-S479 WeakPolarHBondContact OD1-CA 3.36Å; D467-S479 WeakPolarHBondContact OD1-CB 3.09Å; D467-H480 PolarHBondContact OD1-N 3.46Å
468	Q	79.6	Confident	68.9	Low	40 Å²	40	35.3 Å²	35.3	19%	0.187	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.2	-46	163.5	-71.6	-175.9	-67.9	0	0	109.6	F162 Y464 T465 C470 K471 P576	F162-Q468 WeakPolarHBondContact CD1-O 3.14Å; F162-Q468 VanDerWaalsContact CE1-O 3.3Å; F162-Q468 WeakPolarHBondContact CE1-O 3.21Å; F162-Q468 WeakPolarHBondContact O-CB 3.34Å; Y464-Q468 VanDerWaalsContact CA-OE1 3.26Å; T465-Q468 HydrophobicContact CG2-CG 4.2Å; T465-Q468 VanDerWaalsContact N-OE1 3.08Å; T465-Q468 PolarHBondContact O-N 3.45Å; T465-Q468 PolarHBondContact OG1-N 3.15Å; Q468-C470 PolarHBondContact O-N 3.01Å; Q468-K471 PolarHBondContact O-N 2.85Å; Q468-P576 HydrophobicContact CG-CB 4.46Å; Q468-P576 HydrophobicContact CG-CG 4.32Å
469	Q	77.5	Confident	69.9	Low	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-62.4	4.5	172	-77.6	168.4	78.7	0	0	116.4	F162 Y464 T465 V466 D467 H508 L511 T514	F162-Q469 WeakPolarHBondContact CE1-O 3.45Å; F162-Q469 WeakPolarHBondContact CZ-O 3.5Å; Y464-Q469 PolarHBondContact O-NE2 3.3Å; T465-Q469 WeakPolarHBondContact O-CB 3.39Å; T465-Q469 VanDerWaalsContact O-CG 3.31Å; T465-Q469 WeakPolarHBondContact O-CG 3.07Å; T465-Q469 PolarHBondContact O-N 3.28Å; T465-Q469 PolarHBondContact O-NE2 3.19Å; V466-Q469 CarbonylContact O-C 3.57Å; V466-Q469 VanDerWaalsContact O-C 3.29Å; V466-Q469 WeakPolarHBondContact O-CA 3.31Å; V466-Q469 WeakPolarHBondContact O-CB 3.07Å; V466-Q469 PolarHBondContact O-N 3.45Å; D467-Q469 VanDerWaalsContact C-N 3.28Å; D467-Q469 PolarHBondContact O-N 2.98Å; Q469-H508 PolarHBondContact O-NE2 2.99Å; Q469-H508 PolarHBondContact OE1-CE1 3.09Å; Q469-L511 VanDerWaalsContact CD-CD1 3.41Å; Q469-L511 VanDerWaalsContact CD-CG 3.49Å; Q469-L511 HydrophobicContact CG-CD1 3.57Å; Q469-L511 HydrophobicContact CG-CG 4.04Å; Q469-T514 PolarHBondContact NE2-OG1 2.92Å
470	C	73.2	Confident	70.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-111.1	-28.4	165.7	-72.1	0	0	0	0	113.1	V466 D467 Q468 L472 W478 S479 H480 C497	V466-C470 PolarHBondContact O-N 3.06Å; D467-C470 PolarHBondContact O-N 3.13Å; D467-C470 VanDerWaalsContact O-N 3.08Å; Q468-C470 PolarHBondContact O-N 3.01Å; C470-L472 PolarHBondContact O-N 3.3Å; C470-W478 CarbonylContact C-O 3.41Å; C470-W478 VanDerWaalsContact C-O 3.26Å; C470-W478 HydrophobicContact CB-CB 4.48Å; C470-W478 VanDerWaalsContact CB-O 3.28Å; C470-W478 WeakPolarHBondContact CB-O 3.1Å; C470-W478 WeakPolarHBondContact O-CB 3.45Å; C470-S479 VanDerWaalsContact CB-C 3.46Å; C470-S479 VanDerWaalsContact SG-C 3.52Å; C470-S479 PolarHBondContact SG-O 2.89Å; C470-H480 WeakPolarHBondContact SG-CA 3.11Å; C470-H480 PolarHBondContact SG-N 2.95Å; C470-H480 VanDerWaalsContact SG-N 3.42Å; C470-C497 WeakPolarHBondContact CA-SG 3.28Å; C470-C497 HydrophobicContact CB-CB 3.69Å; C470-C497 WeakPolarHBondContact CB-SG 3Å; C470-C497 WeakPolarHBondContact SG-CB 3.33Å; C470-C497 CovalentContact SG-SG 2.03Å; C470-C497 PolarHBondContact SG-SG 3.01Å
471	K	73.7	Confident	71	Confident	17 Å²	17	32.2 Å²	32.2	7%	0.074	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	10.7	-168.8	-75.4	176.2	170.2	154.2	0	117.2	D467 Q468 G475 K476 W478	D467-K471 WeakPolarHBondContact O-CG 3.31Å; D467-K471 PolarHBondContact O-N 2.89Å; D467-K471 WeakPolarHBondContact OD2-CE 3.1Å; D467-K471 IonicContact OD2-NZ 2.9Å; D467-K471 PolarHBondContact OD2-NZ 2.89Å; Q468-K471 PolarHBondContact O-N 2.85Å; K471-G475 VanDerWaalsContact C-C 3.44Å; K471-G475 CarbonylContact C-O 3.51Å; K471-G475 CarbonylContact O-C 3.47Å; K471-G475 WeakPolarHBondContact O-CA 3.36Å; K471-K476 PolarHBondContact O-N 2.94Å; K471-K476 VanDerWaalsContact O-N 3.13Å; K471-W478 WeakPolarHBondContact CA-O 3.44Å; K471-W478 WeakPolarHBondContact CG-O 3.38Å; K471-W478 PolarHBondContact N-O 3.04Å
472	L	57.7	Low	71.1	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-47.6	-178.7	-65.3	-171.6	0	0	0	120	R157 K158 E161 F162 C470 H474 G475	R157-L472 WeakPolarHBondContact O-CD1 3.49Å; K158-L472 VanDerWaalsContact C-CB 3.46Å; K158-L472 HydrophobicContact CB-CB 4.14Å; K158-L472 WeakPolarHBondContact CB-O 3.47Å; K158-L472 VanDerWaalsContact CD-O 3.32Å; K158-L472 WeakPolarHBondContact CD-O 3.47Å; K158-L472 VanDerWaalsContact CG-O 3.25Å; K158-L472 WeakPolarHBondContact CG-O 3.49Å; K158-L472 CarbonylContact O-C 3.54Å; K158-L472 WeakPolarHBondContact O-CB 3.38Å; E161-L472 VanDerWaalsContact C-CD1 3.48Å; E161-L472 HydrophobicContact CB-CD1 3.8Å; E161-L472 HydrophobicContact CB-CD2 3.77Å; E161-L472 HydrophobicContact CB-CG 4.17Å; E161-L472 HydrophobicContact CG-CD1 4.21Å; E161-L472 HydrophobicContact CG-CD2 4.02Å; E161-L472 VanDerWaalsContact N-CD1 3.33Å; E161-L472 WeakPolarHBondContact OE2-CD2 3.34Å; F162-L472 HydrophobicContact CB-CB 4.42Å; F162-L472 HydrophobicContact CB-CD1 3.45Å; F162-L472 VanDerWaalsContact CB-CD1 3.45Å; F162-L472 HydrophobicContact CB-CG 4.07Å; F162-L472 HydrophobicContact CD1-CB 3.23Å; F162-L472 HydrophobicContact CD1-CD1 3.8Å; F162-L472 HydrophobicContact CD1-CG 3.49Å; F162-L472 VanDerWaalsContact CD1-CG 3.49Å; F162-L472 HydrophobicContact CE1-CB 3.59Å; F162-L472 HydrophobicContact CE1-CG 4.29Å; F162-L472 HydrophobicContact CG-CB 3.86Å; F162-L472 HydrophobicContact CG-CD1 3.77Å; F162-L472 HydrophobicContact CG-CG 4Å; F162-L472 HydrophobicContact CZ-CB 4.43Å; C470-L472 PolarHBondContact O-N 3.3Å; L472-H474 PolarHBondContact O-N 3.45Å; L472-G475 VanDerWaalsContact C-N 3.25Å; L472-G475 PolarHBondContact O-N 3.07Å
473	V	47.9	Very low	70.6	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.7	176.3	177.4	0	0	0	0	107.8	F28 F33 L37 L159 F162	F28-V473 HydrophobicContact CE1-CG1 4.37Å; F28-V473 HydrophobicContact CE1-CG2 3.65Å; F28-V473 HydrophobicContact CZ-CG2 4.17Å; F33-V473 HydrophobicContact CB-CG1 4.42Å; F33-V473 HydrophobicContact CD1-CB 4.26Å; F33-V473 HydrophobicContact CD1-CG1 3.19Å; F33-V473 HydrophobicContact CE1-CB 3.98Å; F33-V473 HydrophobicContact CE1-CG1 3.49Å; F33-V473 VanDerWaalsContact CE1-CG1 3.49Å; F33-V473 WeakPolarHBondContact CE1-O 3.15Å; F33-V473 HydrophobicContact CG-CG1 3.9Å; L37-V473 HydrophobicContact CD1-CB 4.5Å; L37-V473 HydrophobicContact CD1-CG1 3.7Å; L37-V473 HydrophobicContact CD1-CG2 4.35Å; L37-V473 HydrophobicContact CD2-CB 4.26Å; L37-V473 HydrophobicContact CD2-CG1 4.2Å; L37-V473 HydrophobicContact CD2-CG2 4.23Å; L37-V473 HydrophobicContact CG-CB 4.16Å; L37-V473 HydrophobicContact CG-CG1 3.56Å; L37-V473 HydrophobicContact CG-CG2 4.38Å; L159-V473 HydrophobicContact CD2-CG2 3.41Å; L159-V473 VanDerWaalsContact CD2-CG2 3.41Å; L159-V473 HydrophobicContact CG-CG2 4.31Å; F162-V473 HydrophobicContact CD2-CG2 4.3Å; F162-V473 HydrophobicContact CE1-CG2 4.18Å; F162-V473 HydrophobicContact CE2-CB 4.31Å; F162-V473 HydrophobicContact CE2-CG2 3.26Å; F162-V473 HydrophobicContact CZ-CB 3.79Å; F162-V473 HydrophobicContact CZ-CG2 3.22Å
474	H	56.8	Low	70.5	Confident	22 Å²	22	38.9 Å²	38.9	10%	0.102	21%	0.212	C	C	.	.	S	Bend	trans	-108.1	-11.8	175.7	-54.5	-95.3	0	0	0	114.5	F33 L472 W478 R505	F33-H474 WeakPolarHBondContact CB-NE2 3.44Å; F33-H474 AromaticContact CD1-CD2 3.46Å; F33-H474 VanDerWaalsContact CD1-CD2 3.46Å; F33-H474 WeakPolarHBondContact CD1-CD2 3.31Å; F33-H474 AromaticContact CD1-CG 3.82Å; F33-H474 AromaticContact CD1-ND1 3.41Å; F33-H474 WeakPolarHBondContact CD1-ND1 2.88Å; F33-H474 AromaticContact CD1-NE2 2.71Å; F33-H474 WeakPolarHBondContact CD1-NE2 3.41Å; F33-H474 AromaticContact CD2-NE2 2.38Å; F33-H474 WeakPolarHBondContact CD2-NE2 3.34Å; F33-H474 VanDerWaalsContact CE1-CA 3.41Å; F33-H474 HydrophobicContact CE1-CB 3.31Å; F33-H474 AromaticContact CE1-CD2 2.26Å; F33-H474 WeakPolarHBondContact CE1-CD2 3.47Å; F33-H474 AromaticContact CE1-CE1 3.11Å; F33-H474 WeakPolarHBondContact CE1-CE1 3.31Å; F33-H474 AromaticContact CE1-CG 2.28Å; F33-H474 VanDerWaalsContact CE1-N 3.27Å; F33-H474 AromaticContact CE1-ND1 2.27Å; F33-H474 WeakPolarHBondContact CE1-ND1 3.41Å; F33-H474 AromaticContact CE1-NE2 2.92Å; F33-H474 WeakPolarHBondContact CE1-NE2 3.4Å; F33-H474 AromaticContact CE2-CD2 3.46Å; F33-H474 VanDerWaalsContact CE2-CD2 3.46Å; F33-H474 WeakPolarHBondContact CE2-CD2 3.19Å; F33-H474 AromaticContact CE2-CG 3.86Å; F33-H474 AromaticContact CE2-ND1 3.43Å; F33-H474 WeakPolarHBondContact CE2-ND1 3.27Å; F33-H474 AromaticContact CE2-NE2 2.73Å; F33-H474 WeakPolarHBondContact CE2-NE2 3.27Å; F33-H474 AromaticContact CG-NE2 2.4Å; F33-H474 WeakPolarHBondContact CG-NE2 3.17Å; F33-H474 HydrophobicContact CZ-CB 3.75Å; F33-H474 AromaticContact CZ-CD2 2.25Å; F33-H474 WeakPolarHBondContact CZ-CD2 3.3Å; F33-H474 AromaticContact CZ-CE1 3.09Å; F33-H474 WeakPolarHBondContact CZ-CE1 3.45Å; F33-H474 AromaticContact CZ-CG 2.3Å; F33-H474 AromaticContact CZ-ND1 2.27Å; F33-H474 WeakPolarHBondContact CZ-ND1 3.39Å; F33-H474 AromaticContact CZ-NE2 2.94Å; F33-H474 WeakPolarHBondContact CZ-NE2 3.37Å; L472-H474 PolarHBondContact O-N 3.45Å; H474-W478 HydrophobicContact CB-CB 3.86Å; H474-W478 HydrophobicContact CB-CD2 3.26Å; H474-W478 HydrophobicContact CB-CE3 3.88Å; H474-W478 HydrophobicContact CB-CG 3.24Å; H474-W478 HydrophobicContact CB-CZ2 4.11Å; H474-W478 AromaticContact CE1-CD2 3.69Å; H474-W478 AromaticContact CE1-CE2 3.26Å; H474-W478 AromaticContact CE1-CE3 3.59Å; H474-W478 AromaticContact CE1-CH2 2.61Å; H474-W478 WeakPolarHBondContact CE1-CH2 2.61Å; H474-W478 AromaticContact CE1-CZ2 2.71Å; H474-W478 WeakPolarHBondContact CE1-CZ2 3.46Å; H474-W478 AromaticContact CE1-CZ3 3.11Å; H474-W478 WeakPolarHBondContact CE1-CZ3 3.33Å; H474-W478 AromaticContact CG-CD2 3.64Å; H474-W478 AromaticContact CG-CE2 3.91Å; H474-W478 AromaticContact CG-CE3 3.71Å; H474-W478 AromaticContact ND1-CD2 3.99Å; H474-W478 AromaticContact ND1-CE2 3.87Å; H474-W478 AromaticContact ND1-CE3 3.79Å; H474-W478 AromaticContact ND1-CH2 3.36Å; H474-W478 WeakPolarHBondContact ND1-CH2 3.47Å; H474-W478 AromaticContact ND1-CZ2 3.56Å; H474-W478 AromaticContact ND1-CZ3 3.49Å; H474-W478 WeakPolarHBondContact ND1-CZ3 3.35Å; H474-W478 PolarHBondContact O-NE1 2.86Å; H474-R505 VanDerWaalsContact CE1-CD 3.47Å; H474-R505 WeakPolarHBondContact CE1-CD 3Å; H474-R505 WeakPolarHBondContact NE2-CB 3.34Å; H474-R505 WeakPolarHBondContact NE2-CD 3.46Å
475	G	54.9	Low	70.6	Confident	18 Å²	18	40.3 Å²	40.3	19%	0.186	25%	0.245	C	C	.	.			trans	88.2	173.7	-178	0	0	0	0	0	114.5	K471 L472 A477 W478	K471-G475 VanDerWaalsContact C-C 3.44Å; K471-G475 CarbonylContact C-O 3.51Å; K471-G475 CarbonylContact O-C 3.47Å; K471-G475 WeakPolarHBondContact O-CA 3.36Å; L472-G475 VanDerWaalsContact C-N 3.25Å; L472-G475 PolarHBondContact O-N 3.07Å; G475-A477 PolarHBondContact O-N 2.88Å; G475-W478 PolarHBondContact O-N 3.15Å
476	K	62.8	Low	70.1	Confident	121 Å²	121	42.6 Å²	42.6	53%	0.526	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-33.5	-166.3	-72.5	-175.4	167.3	-168	0	116.4	K471 W478 E547	K471-K476 PolarHBondContact O-N 2.94Å; K471-K476 VanDerWaalsContact O-N 3.13Å; K476-W478 PolarHBondContact O-N 3.12Å; K476-E547 IonicContact NZ-OE1 3.82Å; K476-E547 PolarHBondContact NZ-OE1 3.48Å
477	A	63.7	Low	69.9	Low	45 Å²	45	44.1 Å²	44.1	37%	0.372	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.9	-171.9	0	0	0	0	0	114.7	G475	G475-A477 PolarHBondContact O-N 2.88Å
478	W	73.4	Confident	69.8	Low	25 Å²	25	46.2 Å²	46.2	10%	0.095	28%	0.282	C	S	.	.			trans	-107.5	126.8	-172.6	-67.9	69.2	0	0	0	112.4	F33 C470 K471 H474 G475 K476 C497 S498 A499 V503 R505	F33-W478 AromaticContact CZ-CE3 3.89Å; F33-W478 HydrophobicContact CZ-CE3 3.89Å; F33-W478 HydrophobicContact CZ-CH2 4.44Å; F33-W478 AromaticContact CZ-CZ3 3.81Å; F33-W478 HydrophobicContact CZ-CZ3 3.81Å; C470-W478 CarbonylContact C-O 3.41Å; C470-W478 VanDerWaalsContact C-O 3.26Å; C470-W478 HydrophobicContact CB-CB 4.48Å; C470-W478 VanDerWaalsContact CB-O 3.28Å; C470-W478 WeakPolarHBondContact CB-O 3.1Å; C470-W478 WeakPolarHBondContact O-CB 3.45Å; K471-W478 WeakPolarHBondContact CA-O 3.44Å; K471-W478 WeakPolarHBondContact CG-O 3.38Å; K471-W478 PolarHBondContact N-O 3.04Å; H474-W478 HydrophobicContact CB-CB 3.86Å; H474-W478 HydrophobicContact CB-CD2 3.26Å; H474-W478 HydrophobicContact CB-CE3 3.88Å; H474-W478 HydrophobicContact CB-CG 3.24Å; H474-W478 HydrophobicContact CB-CZ2 4.11Å; H474-W478 AromaticContact CE1-CD2 3.69Å; H474-W478 AromaticContact CE1-CE2 3.26Å; H474-W478 AromaticContact CE1-CE3 3.59Å; H474-W478 AromaticContact CE1-CH2 2.61Å; H474-W478 WeakPolarHBondContact CE1-CH2 2.61Å; H474-W478 AromaticContact CE1-CZ2 2.71Å; H474-W478 WeakPolarHBondContact CE1-CZ2 3.46Å; H474-W478 AromaticContact CE1-CZ3 3.11Å; H474-W478 WeakPolarHBondContact CE1-CZ3 3.33Å; H474-W478 AromaticContact CG-CD2 3.64Å; H474-W478 AromaticContact CG-CE2 3.91Å; H474-W478 AromaticContact CG-CE3 3.71Å; H474-W478 AromaticContact ND1-CD2 3.99Å; H474-W478 AromaticContact ND1-CE2 3.87Å; H474-W478 AromaticContact ND1-CE3 3.79Å; H474-W478 AromaticContact ND1-CH2 3.36Å; H474-W478 WeakPolarHBondContact ND1-CH2 3.47Å; H474-W478 AromaticContact ND1-CZ2 3.56Å; H474-W478 AromaticContact ND1-CZ3 3.49Å; H474-W478 WeakPolarHBondContact ND1-CZ3 3.35Å; H474-W478 PolarHBondContact O-NE1 2.86Å; G475-W478 PolarHBondContact O-N 3.15Å; K476-W478 PolarHBondContact O-N 3.12Å; W478-C497 HydrophobicContact CE3-CB 4.16Å; W478-S498 CarbonylContact C-O 3.53Å; W478-S498 VanDerWaalsContact CA-O 3.28Å; W478-S498 WeakPolarHBondContact CA-O 3.13Å; W478-S498 VanDerWaalsContact CE3-C 3.5Å; W478-A499 HydrophobicContact CD2-CB 3.76Å; W478-A499 HydrophobicContact CE3-CB 4.32Å; W478-A499 HydrophobicContact CG-CB 4.11Å; W478-A499 HydrophobicContact CZ2-CB 3.98Å; W478-V503 HydrophobicContact CH2-CG1 3.53Å; W478-V503 HydrophobicContact CZ2-CG1 4.11Å; W478-V503 HydrophobicContact CZ3-CG1 4.26Å; W478-R505 HydrophobicContact CH2-CB 4.45Å; W478-R505 HydrophobicContact CH2-CG 4.06Å; W478-R505 HydrophobicContact CZ3-CB 4.07Å; W478-R505 HydrophobicContact CZ3-CG 4.15Å
479	S	78.5	Confident	69.9	Low	23 Å²	23	45 Å²	45	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	167.5	177.2	43.2	0	0	0	0	111.6	D467 C470 C497 S498	D467-S479 WeakPolarHBondContact OD1-CA 3.36Å; D467-S479 WeakPolarHBondContact OD1-CB 3.09Å; C470-S479 VanDerWaalsContact CB-C 3.46Å; C470-S479 VanDerWaalsContact SG-C 3.52Å; C470-S479 PolarHBondContact SG-O 2.89Å; S479-C497 CarbonylContact O-C 3.56Å; S479-C497 VanDerWaalsContact O-CA 3.3Å; S479-C497 WeakPolarHBondContact O-CA 3.4Å; S479-S498 PolarHBondContact N-O 3.11Å; S479-S498 PolarHBondContact O-N 2.95Å
480	H	81.9	Confident	70	Confident	51 Å²	51	46.9 Å²	46.9	24%	0.236	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.7	175.4	175.5	46.5	0	0	0	111	V466 D467 C470 V491 W496	V466-H480 HydrophobicContact CB-CB 4.07Å; V466-H480 HydrophobicContact CG1-CB 3.77Å; D467-H480 PolarHBondContact OD1-N 3.46Å; C470-H480 WeakPolarHBondContact SG-CA 3.11Å; C470-H480 PolarHBondContact SG-N 2.95Å; C470-H480 VanDerWaalsContact SG-N 3.42Å; H480-V491 VanDerWaalsContact CE1-CG2 3.42Å; H480-V491 WeakPolarHBondContact CE1-CG2 3.49Å; H480-W496 PolarHBondContact ND1-O 2.95Å
481	M	79.2	Confident	70.5	Confident	67 Å²	67	47 Å²	47	33%	0.33	29%	0.291	S	S	.	.			trans	-137.1	142	175	-176.9	172.7	-72.7	0	0	109.8	W496 I504	M481-W496 PolarHBondContact N-O 3.02Å; M481-W496 VanDerWaalsContact N-O 3.07Å; M481-W496 WeakPolarHBondContact O-CB 3.32Å; M481-I504 HydrophobicContact SD-CD1 3.82Å; M481-I504 HydrophobicContact SD-CG1 3.92Å
482	L	72.6	Confident	70.5	Confident	60 Å²	60	46.2 Å²	46.2	31%	0.314	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-94.7	137	163.6	-64.5	173	0	0	0	108.7	Q486 S487 P488	L482-Q486 HydrophobicContact CB-CB 4.35Å; L482-Q486 HydrophobicContact CD2-CB 4.45Å; L482-S487 WeakPolarHBondContact CD2-O 2.27Å; L482-P488 HydrophobicContact CD1-CB 4.37Å; L482-P488 HydrophobicContact CD1-CG 3.93Å
483	Q	66.9	Low	71.4	Confident	66 Å²	66	52.1 Å²	52.1	31%	0.308	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-74	161.8	173.1	-57.2	-176.2	-27.5	0	0	111	G485 Q486 W496	Q483-G485 PolarHBondContact O-N 3.02Å; Q483-G485 VanDerWaalsContact O-N 3.14Å; Q483-Q486 HydrophobicContact CB-CG 4.12Å; Q483-Q486 WeakPolarHBondContact O-CB 2.71Å; Q483-Q486 PolarHBondContact O-N 3.48Å; Q483-Q486 VanDerWaalsContact OE1-NE2 3.08Å; Q483-W496 HydrophobicContact CG-CD2 4.11Å; Q483-W496 HydrophobicContact CG-CG 4.08Å; Q483-W496 VanDerWaalsContact NE2-CD2 3.27Å; Q483-W496 VanDerWaalsContact NE2-CE2 3.34Å; Q483-W496 VanDerWaalsContact NE2-CH2 3.28Å
484	S	68.5	Low	72.7	Confident	133 Å²	133	54.3 Å²	54.3	93%	0.93	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	119.1	176.1	-57.7	0	0	0	0	111.6
485	G	69.9	Low	73.4	Confident	91 Å²	91	53.2 Å²	53.2	94%	0.938	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-5.8	-178.7	0	0	0	0	0	115.8	Q483	Q483-G485 PolarHBondContact O-N 3.02Å; Q483-G485 VanDerWaalsContact O-N 3.14Å
486	Q	70.1	Confident	74.5	Confident	54 Å²	54	54.5 Å²	54.5	25%	0.252	32%	0.319	S	S	.	.			trans	-79.1	146.7	173.4	-70.5	176.3	-8.2	0	0	111.9	L482 Q483 D490 W496	L482-Q486 HydrophobicContact CB-CB 4.35Å; L482-Q486 HydrophobicContact CD2-CB 4.45Å; Q483-Q486 HydrophobicContact CB-CG 4.12Å; Q483-Q486 WeakPolarHBondContact O-CB 2.71Å; Q483-Q486 PolarHBondContact O-N 3.48Å; Q483-Q486 VanDerWaalsContact OE1-NE2 3.08Å; Q486-D490 HydrophobicContact CB-CB 4.39Å; Q486-W496 VanDerWaalsContact OE1-CD1 3.26Å
487	S	78.4	Confident	75.2	Confident	55 Å²	55	48.7 Å²	48.7	39%	0.385	29%	0.294	S	S	.	.			trans	-92.5	159.6	170.3	75.4	0	0	0	0	111.1	L482 G489 D490	L482-S487 WeakPolarHBondContact CD2-O 2.27Å; S487-G489 PolarHBondContact O-N 3.49Å; S487-G489 PolarHBondContact OG-N 3.06Å; S487-D490 WeakPolarHBondContact CA-OD2 3.2Å; S487-D490 WeakPolarHBondContact CB-OD2 3.44Å; S487-D490 PolarHBondContact N-OD2 3.14Å; S487-D490 WeakPolarHBondContact O-CB 3.49Å; S487-D490 PolarHBondContact O-N 2.89Å; S487-D490 PolarHBondContact OG-N 3.04Å; S487-D490 PolarHBondContact OG-OD2 3.18Å
488	P	78.8	Confident	75.6	Confident	77 Å²	77	46.6 Å²	46.6	50%	0.5	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-54.1	-23.2	168.9	-27.2	36.1	0	0	0	114	L482 V491 C516	L482-P488 HydrophobicContact CD1-CB 4.37Å; L482-P488 HydrophobicContact CD1-CG 3.93Å; P488-V491 WeakPolarHBondContact O-CB 3.27Å; P488-V491 WeakPolarHBondContact O-CG1 3.29Å; P488-C516 CarbonylContact C-O 3.56Å; P488-C516 WeakPolarHBondContact CB-O 3.47Å; P488-C516 VanDerWaalsContact O-O 3.12Å
489	G	82.1	Confident	75.4	Confident	16 Å²	16	46.4 Å²	46.4	17%	0.165	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-76.7	-18.4	177.6	0	0	0	0	0	114.7	S487 V491 C516 C527	S487-G489 PolarHBondContact O-N 3.49Å; S487-G489 PolarHBondContact OG-N 3.06Å; G489-V491 PolarHBondContact O-N 3.38Å; G489-C516 PolarHBondContact N-O 2.83Å; G489-C527 VanDerWaalsContact CA-CB 3.48Å; G489-C527 VanDerWaalsContact CA-SG 3.56Å; G489-C527 WeakPolarHBondContact O-CB 3.39Å
490	D	79.4	Confident	74.4	Confident	38 Å²	38	46.4 Å²	46.4	20%	0.203	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-72.8	-17.3	177.1	-65.2	-69.1	0	0	0	112.2	Q486 S487 C492 K493 M494	Q486-D490 HydrophobicContact CB-CB 4.39Å; S487-D490 WeakPolarHBondContact CA-OD2 3.2Å; S487-D490 WeakPolarHBondContact CB-OD2 3.44Å; S487-D490 PolarHBondContact N-OD2 3.14Å; S487-D490 WeakPolarHBondContact O-CB 3.49Å; S487-D490 PolarHBondContact O-N 2.89Å; S487-D490 PolarHBondContact OG-N 3.04Å; S487-D490 PolarHBondContact OG-OD2 3.18Å; D490-C492 PolarHBondContact O-N 2.81Å; D490-C492 VanDerWaalsContact O-N 3.15Å; D490-K493 WeakPolarHBondContact O-CA 3.25Å; D490-K493 WeakPolarHBondContact O-CB 3.36Å; D490-K493 PolarHBondContact O-N 3.11Å; D490-K493 WeakPolarHBondContact OD1-CE 3.27Å; D490-K493 IonicContact OD1-NZ 3.52Å; D490-K493 PolarHBondContact OD1-NZ 2.85Å; D490-M494 PolarHBondContact O-N 3.03Å
491	V	82.9	Confident	73.2	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.018	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55.7	-30.8	175.1	85.7	0	0	0	0	112.8	V466 H480 P488 G489 K493 M494 V495 A510 C516	V466-V491 HydrophobicContact CG1-CG2 3.62Å; V466-V491 HydrophobicContact CG2-CG2 4.44Å; H480-V491 VanDerWaalsContact CE1-CG2 3.42Å; H480-V491 WeakPolarHBondContact CE1-CG2 3.49Å; P488-V491 WeakPolarHBondContact O-CB 3.27Å; P488-V491 WeakPolarHBondContact O-CG1 3.29Å; G489-V491 PolarHBondContact O-N 3.38Å; V491-K493 VanDerWaalsContact C-N 3.34Å; V491-M494 CarbonylContact O-C 3.58Å; V491-M494 PolarHBondContact O-N 3.34Å; V491-V495 HydrophobicContact CG2-CG2 3.94Å; V491-V495 PolarHBondContact O-N 2.63Å; V491-A510 HydrophobicContact CB-CB 4.45Å; V491-A510 HydrophobicContact CG1-CB 3.93Å; V491-A510 HydrophobicContact CG2-CB 4.12Å; V491-A510 VanDerWaalsContact O-CB 3.29Å; V491-A510 WeakPolarHBondContact O-CB 3.35Å; V491-A510 PolarHBondContact O-N 3.34Å; V491-A510 VanDerWaalsContact O-N 3.15Å; V491-C516 HydrophobicContact CG1-CB 3.69Å
492	C	75	Confident	71.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-70.1	-32	177.2	-52.7	0	0	0	0	112.9	D490 P509 C516 C522 G525 C527	D490-C492 PolarHBondContact O-N 2.81Å; D490-C492 VanDerWaalsContact O-N 3.15Å; C492-P509 WeakPolarHBondContact O-CB 3.35Å; C492-C516 WeakPolarHBondContact SG-CB 3.32Å; C492-C516 PolarHBondContact SG-SG 3.31Å; C492-C522 WeakPolarHBondContact CA-SG 3.44Å; C492-C522 HydrophobicContact CB-CB 3.6Å; C492-C522 WeakPolarHBondContact CB-SG 3.49Å; C492-C522 WeakPolarHBondContact SG-CA 3.34Å; C492-C522 WeakPolarHBondContact SG-CB 3.49Å; C492-C522 CovalentContact SG-SG 2.04Å; C492-C522 PolarHBondContact SG-SG 3.25Å; C492-G525 CarbonylContact C-O 3.54Å; C492-G525 VanDerWaalsContact C-O 3.22Å; C492-C527 VanDerWaalsContact SG-CA 3.55Å; C492-C527 VanDerWaalsContact SG-CB 3.6Å
493	K	74.7	Confident	71.2	Confident	128 Å²	128	45.5 Å²	45.5	56%	0.557	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.8	173.2	-52.5	169.7	-174.6	165.1	0	110.4	L27 D490 V491 G525	L27-K493 WeakPolarHBondContact CD1-O 3.01Å; D490-K493 WeakPolarHBondContact O-CA 3.25Å; D490-K493 WeakPolarHBondContact O-CB 3.36Å; D490-K493 PolarHBondContact O-N 3.11Å; D490-K493 WeakPolarHBondContact OD1-CE 3.27Å; D490-K493 IonicContact OD1-NZ 3.52Å; D490-K493 PolarHBondContact OD1-NZ 2.85Å; V491-K493 VanDerWaalsContact C-N 3.34Å; K493-G525 PolarHBondContact N-O 3.15Å
494	M	75.6	Confident	70.6	Confident	46 Å²	46	45.4 Å²	45.4	23%	0.227	29%	0.292	C	S	.	.			trans	-161.2	113.3	-172.7	-173.8	155.9	-62.9	0	0	111.8	L27 Q30 D490 V491 W496 N506	L27-M494 HydrophobicContact CD2-CB 3.73Å; L27-M494 HydrophobicContact CD2-CE 3.48Å; L27-M494 VanDerWaalsContact CD2-CE 3.48Å; L27-M494 HydrophobicContact CD2-CG 3.38Å; L27-M494 HydrophobicContact CD2-SD 4.08Å; L27-M494 HydrophobicContact CG-CE 4.15Å; Q30-M494 VanDerWaalsContact OE1-CE 3.32Å; D490-M494 PolarHBondContact O-N 3.03Å; V491-M494 CarbonylContact O-C 3.58Å; V491-M494 PolarHBondContact O-N 3.34Å; M494-W496 HydrophobicContact CG-CD2 4.28Å; M494-W496 HydrophobicContact CG-CG 4.43Å; M494-W496 HydrophobicContact CG-CZ2 4.17Å; M494-W496 PolarHBondContact O-N 3.14Å; M494-W496 HydrophobicContact SD-CD2 4.44Å; M494-W496 VanDerWaalsContact SD-CE2 3.53Å; M494-W496 HydrophobicContact SD-CH2 4.06Å; M494-W496 HydrophobicContact SD-CZ2 3.31Å; M494-W496 WeakPolarHBondContact SD-CZ2 3.28Å; M494-N506 HydrophobicContact CG-CB 4.27Å; M494-N506 HydrophobicContact SD-CB 4.04Å
495	V	72.2	Confident	70.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.256	C	S	.	.			trans	-76	114.3	166.4	179.5	0	0	0	0	108.3	V466 V491 S507 H508 P509 A510	V466-V495 HydrophobicContact CG1-CG1 3.91Å; V466-V495 HydrophobicContact CG1-CG2 4.1Å; V491-V495 HydrophobicContact CG2-CG2 3.94Å; V491-V495 PolarHBondContact O-N 2.63Å; V495-S507 PolarHBondContact O-N 2.71Å; V495-H508 VanDerWaalsContact CB-O 3.26Å; V495-H508 WeakPolarHBondContact CB-O 3.48Å; V495-H508 PolarHBondContact N-O 2.87Å; V495-P509 VanDerWaalsContact CG2-C 3.44Å; V495-P509 VanDerWaalsContact CG2-O 3.27Å; V495-P509 WeakPolarHBondContact CG2-O 3.17Å; V495-A510 HydrophobicContact CG2-CB 3.71Å
496	W	78.3	Confident	69.3	Low	44 Å²	44	37.9 Å²	37.9	17%	0.167	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.9	163.3	-63.8	95.5	0	0	0	109.4	H480 M481 Q483 Q486 M494 I504 R505 N506	H480-W496 PolarHBondContact ND1-O 2.95Å; M481-W496 PolarHBondContact N-O 3.02Å; M481-W496 VanDerWaalsContact N-O 3.07Å; M481-W496 WeakPolarHBondContact O-CB 3.32Å; Q483-W496 HydrophobicContact CG-CD2 4.11Å; Q483-W496 HydrophobicContact CG-CG 4.08Å; Q483-W496 VanDerWaalsContact NE2-CD2 3.27Å; Q483-W496 VanDerWaalsContact NE2-CE2 3.34Å; Q483-W496 VanDerWaalsContact NE2-CH2 3.28Å; Q486-W496 VanDerWaalsContact OE1-CD1 3.26Å; M494-W496 HydrophobicContact CG-CD2 4.28Å; M494-W496 HydrophobicContact CG-CG 4.43Å; M494-W496 HydrophobicContact CG-CZ2 4.17Å; M494-W496 PolarHBondContact O-N 3.14Å; M494-W496 HydrophobicContact SD-CD2 4.44Å; M494-W496 VanDerWaalsContact SD-CE2 3.53Å; M494-W496 HydrophobicContact SD-CH2 4.06Å; M494-W496 HydrophobicContact SD-CZ2 3.31Å; M494-W496 WeakPolarHBondContact SD-CZ2 3.28Å; W496-I504 HydrophobicContact CD2-CG2 4.47Å; W496-I504 HydrophobicContact CE3-CG2 3.68Å; W496-I504 HydrophobicContact CZ3-CG2 4.29Å; W496-R505 WeakPolarHBondContact CA-O 3.17Å; W496-N506 HydrophobicContact CD2-CB 4.32Å; W496-N506 HydrophobicContact CE3-CB 3.79Å; W496-N506 HydrophobicContact CH2-CB 3.98Å; W496-N506 HydrophobicContact CZ2-CB 4.47Å; W496-N506 HydrophobicContact CZ3-CB 3.6Å
497	C	76.1	Confident	68.3	Low	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.2	176.1	-62	0	0	0	0	110	F33 C470 W478 S479 R505 S507	F33-C497 HydrophobicContact CZ-CB 4.14Å; C470-C497 WeakPolarHBondContact CA-SG 3.28Å; C470-C497 HydrophobicContact CB-CB 3.69Å; C470-C497 WeakPolarHBondContact CB-SG 3Å; C470-C497 WeakPolarHBondContact SG-CB 3.33Å; C470-C497 CovalentContact SG-SG 2.03Å; C470-C497 PolarHBondContact SG-SG 3.01Å; W478-C497 HydrophobicContact CE3-CB 4.16Å; S479-C497 CarbonylContact O-C 3.56Å; S479-C497 VanDerWaalsContact O-CA 3.3Å; S479-C497 WeakPolarHBondContact O-CA 3.4Å; C497-R505 PolarHBondContact N-O 3.02Å; C497-R505 PolarHBondContact O-N 3.46Å; C497-S507 PolarHBondContact SG-OG 3.29Å
498	S	73.8	Confident	67.3	Low	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.5	176.8	-175.7	0	0	0	0	112.1	W478 S479 G500 V503	W478-S498 CarbonylContact C-O 3.53Å; W478-S498 VanDerWaalsContact CA-O 3.28Å; W478-S498 WeakPolarHBondContact CA-O 3.13Å; W478-S498 VanDerWaalsContact CE3-C 3.5Å; S479-S498 PolarHBondContact N-O 3.11Å; S479-S498 PolarHBondContact O-N 2.95Å; S498-G500 PolarHBondContact OG-N 2.75Å; S498-G500 VanDerWaalsContact OG-N 3.08Å; S498-G500 PolarHBondContact OG-O 3.2Å; S498-V503 VanDerWaalsContact CA-O 3.24Å; S498-V503 WeakPolarHBondContact CA-O 3.48Å; S498-V503 WeakPolarHBondContact CB-O 3.35Å; S498-V503 PolarHBondContact OG-O 2.94Å
499	A	69.4	Low	66.3	Low	21 Å²	21	29.3 Å²	29.3	17%	0.174	16%	0.164	C	C	.	.			trans	-86.4	8.5	168.3	0	0	0	0	0	113.1	W478 V503	W478-A499 HydrophobicContact CD2-CB 3.76Å; W478-A499 HydrophobicContact CE3-CB 4.32Å; W478-A499 HydrophobicContact CG-CB 4.11Å; W478-A499 HydrophobicContact CZ2-CB 3.98Å; A499-V503 PolarHBondContact N-O 3.21Å
500	G	56	Low	65.2	Low	24 Å²	24	28.7 Å²	28.7	25%	0.247	16%	0.158	C	C	.	.	S	Bend	trans	80.7	-160.3	-155.7	0	0	0	0	0	111.7	S498 G502 V503	S498-G500 PolarHBondContact OG-N 2.75Å; S498-G500 VanDerWaalsContact OG-N 3.08Å; S498-G500 PolarHBondContact OG-O 3.2Å; G500-G502 PolarHBondContact O-N 3.02Å; G500-V503 PolarHBondContact O-N 3.31Å
501	E	57.3	Low	64.6	Low	59 Å²	59	26.9 Å²	26.9	28%	0.276	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	11.2	170.7	-41.5	-148.2	175.8	0	0	116.7	V503 N652 R667	E501-V503 HydrophobicContact CB-CG2 4.28Å; E501-V503 PolarHBondContact O-N 3.38Å; E501-N652 WeakPolarHBondContact CA-ND2 3.49Å; E501-N652 WeakPolarHBondContact CA-OD1 3.18Å; E501-N652 HydrophobicContact CB-CB 4.43Å; E501-N652 VanDerWaalsContact CB-ND2 3.26Å; E501-N652 WeakPolarHBondContact CB-ND2 3.43Å; E501-N652 WeakPolarHBondContact CG-ND2 3.21Å; E501-N652 PolarHBondContact OE2-ND2 2.59Å; E501-R667 PolarHBondContact N-O 2.95Å; E501-R667 WeakPolarHBondContact OE1-CD 3.2Å; E501-R667 IonicContact OE1-CZ 2.71Å; E501-R667 IonicContact OE1-NE 3.53Å; E501-R667 IonicContact OE1-NH1 2.94Å; E501-R667 PolarHBondContact OE1-NH1 3.32Å
502	G	51.4	Low	64.1	Low	38 Å²	38	27.3 Å²	27.3	39%	0.392	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	1.8	-169.3	0	0	0	0	0	114.1	G500 I504	G500-G502 PolarHBondContact O-N 3.02Å; G502-I504 PolarHBondContact O-N 3.25Å; G502-I504 VanDerWaalsContact O-N 3.14Å
503	V	58.2	Low	64.4	Low	61 Å²	61	27.2 Å²	27.2	37%	0.37	15%	0.149	S	C	.	.			trans	-74.6	103.7	171.8	-176.6	0	0	0	0	107.5	W478 S498 A499 G500 E501	W478-V503 HydrophobicContact CH2-CG1 3.53Å; W478-V503 HydrophobicContact CZ2-CG1 4.11Å; W478-V503 HydrophobicContact CZ3-CG1 4.26Å; S498-V503 VanDerWaalsContact CA-O 3.24Å; S498-V503 WeakPolarHBondContact CA-O 3.48Å; S498-V503 WeakPolarHBondContact CB-O 3.35Å; S498-V503 PolarHBondContact OG-O 2.94Å; A499-V503 PolarHBondContact N-O 3.21Å; G500-V503 PolarHBondContact O-N 3.31Å; E501-V503 HydrophobicContact CB-CG2 4.28Å; E501-V503 PolarHBondContact O-N 3.38Å
504	I	55.1	Low	65	Low	64 Å²	64	21.2 Å²	21.2	33%	0.328	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.7	-179.9	-62.4	168.6	0	0	0	107.7	M481 W496 G502	M481-I504 HydrophobicContact SD-CD1 3.82Å; M481-I504 HydrophobicContact SD-CG1 3.92Å; W496-I504 HydrophobicContact CD2-CG2 4.47Å; W496-I504 HydrophobicContact CE3-CG2 3.68Å; W496-I504 HydrophobicContact CZ3-CG2 4.29Å; G502-I504 PolarHBondContact O-N 3.25Å; G502-I504 VanDerWaalsContact O-N 3.14Å
505	R	59	Low	65.6	Low	48 Å²	48	22.5 Å²	22.5	18%	0.181	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	163.8	175.3	-66.1	-175.6	-176.8	-167.1	19.2	110.7	I32 F33 H36 H474 W478 W496 C497	I32-R505 HydrophobicContact CG2-CG 4.12Å; I32-R505 PolarHBondContact O-NH1 3.1Å; F33-R505 HydrophobicContact CD2-CB 3.87Å; F33-R505 HydrophobicContact CE2-CB 3.13Å; F33-R505 HydrophobicContact CE2-CG 4.34Å; F33-R505 HydrophobicContact CZ-CB 3.8Å; H36-R505 PolarHBondContact CD2-NH1 3.05Å; H36-R505 PolarHBondContact CD2-NH2 2.88Å; H36-R505 VanDerWaalsContact CD2-NH2 3.35Å; H36-R505 PolarHBondContact NE2-NH1 3.02Å; H36-R505 PolarHBondContact NE2-NH2 2.84Å; H474-R505 VanDerWaalsContact CE1-CD 3.47Å; H474-R505 WeakPolarHBondContact CE1-CD 3Å; H474-R505 WeakPolarHBondContact NE2-CB 3.34Å; H474-R505 WeakPolarHBondContact NE2-CD 3.46Å; W478-R505 HydrophobicContact CH2-CB 4.45Å; W478-R505 HydrophobicContact CH2-CG 4.06Å; W478-R505 HydrophobicContact CZ3-CB 4.07Å; W478-R505 HydrophobicContact CZ3-CG 4.15Å; W496-R505 WeakPolarHBondContact CA-O 3.17Å; C497-R505 PolarHBondContact N-O 3.02Å; C497-R505 PolarHBondContact O-N 3.46Å
506	N	50.9	Low	66.5	Low	18 Å²	18	22.6 Å²	22.6	10%	0.096	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.8	-171.9	43.6	-25.2	0	0	0	110.8	Q30 F33 M494 W496	Q30-N506 PolarHBondContact NE2-ND2 2.84Å; Q30-N506 PolarHBondContact OE1-ND2 2.97Å; F33-N506 WeakPolarHBondContact CD2-O 3.46Å; M494-N506 HydrophobicContact CG-CB 4.27Å; M494-N506 HydrophobicContact SD-CB 4.04Å; W496-N506 HydrophobicContact CD2-CB 4.32Å; W496-N506 HydrophobicContact CE3-CB 3.79Å; W496-N506 HydrophobicContact CH2-CB 3.98Å; W496-N506 HydrophobicContact CZ2-CB 4.47Å; W496-N506 HydrophobicContact CZ3-CB 3.6Å
507	S	50.2	Low	66.9	Low	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.			trans	-99.2	-56.6	-156.6	-36.9	0	0	0	0	114.7	L27 F33 V495 C497	L27-S507 CarbonylContact C-O 3.44Å; F33-S507 WeakPolarHBondContact CE2-OG 3.36Å; V495-S507 PolarHBondContact O-N 2.71Å; C497-S507 PolarHBondContact SG-OG 3.29Å
508	H	56.1	Low	67.2	Low	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.			trans	-166.6	176.3	-179.1	53.4	67.7	0	0	0	108.1	F24 L27 F28 F162 Q469 V495	F24-H508 HydrophobicContact CZ-CB 4.38Å; F24-H508 AromaticContact CZ-CE1 3.93Å; F24-H508 AromaticContact CZ-ND1 3.43Å; F24-H508 WeakPolarHBondContact CZ-ND1 3.48Å; L27-H508 HydrophobicContact CB-CB 4.43Å; F28-H508 HydrophobicContact CD2-CB 3.48Å; F28-H508 VanDerWaalsContact CD2-CB 3.48Å; F28-H508 AromaticContact CE1-CD2 3.94Å; F28-H508 HydrophobicContact CE2-CB 3.37Å; F28-H508 AromaticContact CE2-CD2 3.54Å; F28-H508 AromaticContact CE2-CG 3.66Å; F28-H508 HydrophobicContact CG-CB 4.16Å; F28-H508 HydrophobicContact CZ-CB 3.98Å; F28-H508 AromaticContact CZ-CD2 3.27Å; F28-H508 WeakPolarHBondContact CZ-CD2 3.46Å; F28-H508 AromaticContact CZ-CG 3.9Å; F162-H508 AromaticContact CD2-NE2 3.92Å; F162-H508 AromaticContact CE2-CD2 3.69Å; F162-H508 AromaticContact CE2-NE2 2.98Å; F162-H508 WeakPolarHBondContact CE2-NE2 3.36Å; F162-H508 AromaticContact CZ-NE2 3.37Å; F162-H508 WeakPolarHBondContact CZ-NE2 3.45Å; Q469-H508 PolarHBondContact O-NE2 2.99Å; Q469-H508 PolarHBondContact OE1-CE1 3.09Å; V495-H508 VanDerWaalsContact CB-O 3.26Å; V495-H508 WeakPolarHBondContact CB-O 3.48Å; V495-H508 PolarHBondContact N-O 2.87Å
509	P	57.8	Low	67.5	Low	6 Å²	6	28 Å²	28	4%	0.039	15%	0.154	C	C	.	.			trans	-69.4	-179.4	171.6	-4.3	22.5	0	0	0	108.8	F24 H26 L27 C492 V495	F24-P509 HydrophobicContact CD2-CB 4.32Å; F24-P509 HydrophobicContact CD2-CG 4.32Å; F24-P509 HydrophobicContact CE2-CB 3.79Å; F24-P509 HydrophobicContact CE2-CG 3.98Å; F24-P509 WeakPolarHBondContact CE2-O 3.27Å; F24-P509 WeakPolarHBondContact CZ-O 3.34Å; H26-P509 HydrophobicContact CB-CG 4.24Å; L27-P509 HydrophobicContact CB-CG 4.31Å; L27-P509 HydrophobicContact CD1-CB 4.27Å; L27-P509 HydrophobicContact CD1-CG 3.88Å; C492-P509 WeakPolarHBondContact O-CB 3.35Å; V495-P509 VanDerWaalsContact CG2-C 3.44Å; V495-P509 VanDerWaalsContact CG2-O 3.27Å; V495-P509 WeakPolarHBondContact CG2-O 3.17Å
510	A	60.2	Low	68.4	Low	4 Å²	4	31.2 Å²	31.2	3%	0.033	16%	0.164	C	C	.	.			trans	-86.5	132.8	169	0	0	0	0	0	111.6	F24 V491 V495 T514 C522	F24-A510 VanDerWaalsContact CE2-O 3.28Å; F24-A510 WeakPolarHBondContact CE2-O 2.95Å; V491-A510 HydrophobicContact CB-CB 4.45Å; V491-A510 HydrophobicContact CG1-CB 3.93Å; V491-A510 HydrophobicContact CG2-CB 4.12Å; V491-A510 VanDerWaalsContact O-CB 3.29Å; V491-A510 WeakPolarHBondContact O-CB 3.35Å; V491-A510 PolarHBondContact O-N 3.34Å; V491-A510 VanDerWaalsContact O-N 3.15Å; V495-A510 HydrophobicContact CG2-CB 3.71Å; A510-T514 HydrophobicContact CB-CG2 3.89Å; A510-C522 HydrophobicContact CB-CB 4.08Å; A510-C522 WeakPolarHBondContact CB-SG 3.31Å; A510-C522 WeakPolarHBondContact O-CB 3.33Å
511	L	67	Low	70	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.			trans	-46.7	142.2	-169.4	-84.2	165.8	0	0	0	111.5	F24 G163 P460 Q469 G513 T514	F24-L511 HydrophobicContact CD1-CD2 3.27Å; F24-L511 HydrophobicContact CD1-CG 4.19Å; F24-L511 VanDerWaalsContact CD2-CA 3.49Å; F24-L511 HydrophobicContact CD2-CD2 4.38Å; F24-L511 HydrophobicContact CE1-CB 4.47Å; F24-L511 HydrophobicContact CE1-CD2 3.16Å; F24-L511 HydrophobicContact CE1-CG 3.65Å; F24-L511 HydrophobicContact CE2-CB 4.31Å; F24-L511 HydrophobicContact CE2-CD2 4.34Å; F24-L511 HydrophobicContact CE2-CG 4.31Å; F24-L511 HydrophobicContact CG-CD2 3.88Å; F24-L511 HydrophobicContact CZ-CB 4.17Å; F24-L511 HydrophobicContact CZ-CD2 3.72Å; F24-L511 HydrophobicContact CZ-CG 3.69Å; G163-L511 WeakPolarHBondContact O-CD1 3.18Å; P460-L511 HydrophobicContact CB-CD1 4.39Å; P460-L511 HydrophobicContact CB-CD2 3.73Å; P460-L511 HydrophobicContact CB-CG 4.46Å; Q469-L511 VanDerWaalsContact CD-CD1 3.41Å; Q469-L511 VanDerWaalsContact CD-CG 3.49Å; Q469-L511 HydrophobicContact CG-CD1 3.57Å; Q469-L511 HydrophobicContact CG-CG 4.04Å; L511-G513 CarbonylContact O-C 3.58Å; L511-G513 PolarHBondContact O-N 2.92Å; L511-T514 WeakPolarHBondContact CB-OG1 3.5Å; L511-T514 WeakPolarHBondContact O-CB 3.47Å; L511-T514 PolarHBondContact O-N 2.95Å; L511-T514 PolarHBondContact O-OG1 2.02Å
512	E	72.1	Confident	71	Confident	11 Å²	11	27.6 Å²	27.6	5%	0.051	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	116	177.2	-172.2	75.4	-173.2	0	0	109.6	T21 L459 G461 L523 E524	T21-E512 VanDerWaalsContact CA-OE1 3.24Å; T21-E512 WeakPolarHBondContact CA-OE1 3.26Å; T21-E512 PolarHBondContact N-OE1 2.66Å; L459-E512 WeakPolarHBondContact CB-O 3.27Å; L459-E512 HydrophobicContact CD1-CG 3.91Å; G461-E512 WeakPolarHBondContact CA-O 3.32Å; G461-E512 PolarHBondContact N-O 3.17Å; E512-L523 HydrophobicContact CG-CD2 4.32Å; E512-L523 WeakPolarHBondContact OE1-CD2 3.15Å; E512-E524 PolarHBondContact OE2-N 2.83Å
513	G	82	Confident	72.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	24	-170.5	0	0	0	0	0	116.2	G461 Q462 L511 C522	G461-G513 VanDerWaalsContact C-C 3.42Å; G461-G513 CarbonylContact C-O 3.59Å; Q462-G513 VanDerWaalsContact CG-O 3.28Å; Q462-G513 WeakPolarHBondContact CG-O 3.41Å; Q462-G513 PolarHBondContact N-O 2.7Å; L511-G513 CarbonylContact O-C 3.58Å; L511-G513 PolarHBondContact O-N 2.92Å; G513-C522 PolarHBondContact N-O 3.22Å
514	T	86.4	Confident	72.7	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.127	C	C	.	.			trans	-90.7	137.8	171	-80.4	0	0	0	0	111.7	G461 V466 Q469 A510 L511 W521 C522	G461-T514 WeakPolarHBondContact CA-OG1 3.48Å; G461-T514 WeakPolarHBondContact O-CA 3.37Å; G461-T514 PolarHBondContact O-OG1 2.96Å; G461-T514 VanDerWaalsContact O-OG1 3.11Å; V466-T514 HydrophobicContact CB-CG2 4.48Å; V466-T514 HydrophobicContact CG2-CG2 3.5Å; V466-T514 VanDerWaalsContact CG2-CG2 3.5Å; Q469-T514 PolarHBondContact NE2-OG1 2.92Å; A510-T514 HydrophobicContact CB-CG2 3.89Å; L511-T514 WeakPolarHBondContact CB-OG1 3.5Å; L511-T514 WeakPolarHBondContact O-CB 3.47Å; L511-T514 PolarHBondContact O-N 2.95Å; L511-T514 PolarHBondContact O-OG1 2.02Å; T514-W521 CarbonylContact O-C 3.11Å; T514-W521 WeakPolarHBondContact O-CA 3.33Å; T514-W521 WeakPolarHBondContact O-CB 3.48Å; T514-C522 PolarHBondContact O-N 2.94Å
515	Y	88.1	Confident	72.9	Confident	73 Å²	73	25.8 Å²	25.8	29%	0.286	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133	-176	-176.5	-96.4	0	0	0	112.4	G517 W521	Y515-G517 WeakPolarHBondContact CE2-O 3.21Å; Y515-G517 PolarHBondContact OH-O 3.49Å; Y515-W521 VanDerWaalsContact CA-CD1 3.46Å; Y515-W521 HydrophobicContact CD2-CD2 4.32Å; Y515-W521 AromaticContact CD2-CE2 3.81Å; Y515-W521 HydrophobicContact CD2-CH2 4.4Å; Y515-W521 AromaticContact CD2-CZ2 3.83Å; Y515-W521 HydrophobicContact CD2-CZ2 3.83Å; Y515-W521 HydrophobicContact CE2-CZ2 4.45Å
516	C	91.1	Very high	73.3	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	1.1	-176.1	67.4	0	0	0	0	114	P488 G489 V491 C492 K520 W521 C527	P488-C516 CarbonylContact C-O 3.56Å; P488-C516 WeakPolarHBondContact CB-O 3.47Å; P488-C516 VanDerWaalsContact O-O 3.12Å; G489-C516 PolarHBondContact N-O 2.83Å; V491-C516 HydrophobicContact CG1-CB 3.69Å; C492-C516 WeakPolarHBondContact SG-CB 3.32Å; C492-C516 PolarHBondContact SG-SG 3.31Å; C516-K520 PolarHBondContact N-O 3.31Å; C516-K520 VanDerWaalsContact SG-CB 3.59Å; C516-K520 PolarHBondContact SG-O 2.92Å; C516-K520 VanDerWaalsContact SG-O 3.42Å; C516-W521 VanDerWaalsContact SG-C 3.52Å; C516-W521 PolarHBondContact SG-N 3.43Å; C516-C527 VanDerWaalsContact C-SG 3.52Å; C516-C527 HydrophobicContact CB-CB 3.94Å; C516-C527 WeakPolarHBondContact CB-SG 3.23Å; C516-C527 PolarHBondContact O-SG 3.38Å; C516-C527 WeakPolarHBondContact SG-CA 3.23Å; C516-C527 WeakPolarHBondContact SG-CB 3.43Å; C516-C527 CovalentContact SG-SG 2.04Å; C516-C527 PolarHBondContact SG-SG 3.08Å
517	G	86.4	Confident	75	Confident	17 Å²	17	27.3 Å²	27.3	18%	0.175	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	176.8	-177.2	0	0	0	0	0	111.1	Y515 M519 K520	Y515-G517 WeakPolarHBondContact CE2-O 3.21Å; Y515-G517 PolarHBondContact OH-O 3.49Å; G517-M519 PolarHBondContact O-N 2.75Å; G517-M519 VanDerWaalsContact O-N 3.08Å; G517-K520 PolarHBondContact N-O 2.87Å; G517-K520 PolarHBondContact O-N 2.85Å
518	Y	82.4	Confident	76.6	Confident	130 Å²	130	29.1 Å²	29.1	51%	0.51	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	114.6	-171.2	-156.7	-178	0	0	0	111.8	F13 K520	F13-Y518 HydrophobicContact CB-CD2 3.83Å; F13-Y518 HydrophobicContact CB-CE1 4.08Å; F13-Y518 HydrophobicContact CB-CE2 3.29Å; F13-Y518 HydrophobicContact CB-CG 4.41Å; F13-Y518 VanDerWaalsContact CB-CZ 3.43Å; F13-Y518 AromaticContact CD1-CD1 3.99Å; F13-Y518 HydrophobicContact CD1-CD1 3.99Å; F13-Y518 AromaticContact CD1-CD2 3.8Å; F13-Y518 HydrophobicContact CD1-CD2 3.8Å; F13-Y518 HydrophobicContact CD1-CE1 4.33Å; F13-Y518 HydrophobicContact CD1-CE2 4.15Å; F13-Y518 AromaticContact CD1-CG 3.7Å; F13-Y518 HydrophobicContact CD1-CG 3.7Å; F13-Y518 AromaticContact CD2-CD1 3.38Å; F13-Y518 HydrophobicContact CD2-CD1 3.38Å; F13-Y518 HydrophobicContact CD2-CD2 4.21Å; F13-Y518 AromaticContact CD2-CE1 3.07Å; F13-Y518 HydrophobicContact CD2-CE1 3.07Å; F13-Y518 AromaticContact CD2-CE2 3.96Å; F13-Y518 HydrophobicContact CD2-CE2 3.96Å; F13-Y518 AromaticContact CD2-CG 3.94Å; F13-Y518 HydrophobicContact CD2-CG 3.94Å; F13-Y518 AromaticContact CD2-CZ 3.39Å; F13-Y518 AromaticContact CE1-CD1 3.98Å; F13-Y518 HydrophobicContact CE1-CD1 3.98Å; F13-Y518 HydrophobicContact CE1-CD2 4.4Å; F13-Y518 AromaticContact CE1-CG 3.84Å; F13-Y518 HydrophobicContact CE1-CG 3.84Å; F13-Y518 WeakPolarHBondContact CE1-O 3.47Å; F13-Y518 AromaticContact CE2-CD1 3.38Å; F13-Y518 HydrophobicContact CE2-CD1 3.38Å; F13-Y518 AromaticContact CE2-CE1 3.48Å; F13-Y518 HydrophobicContact CE2-CE1 3.48Å; F13-Y518 VanDerWaalsContact CE2-CE1 3.48Å; F13-Y518 HydrophobicContact CE2-CG 4.09Å; F13-Y518 AromaticContact CG-CD1 3.69Å; F13-Y518 HydrophobicContact CG-CD1 3.69Å; F13-Y518 AromaticContact CG-CD2 3.67Å; F13-Y518 HydrophobicContact CG-CD2 3.67Å; F13-Y518 AromaticContact CG-CE1 3.57Å; F13-Y518 HydrophobicContact CG-CE1 3.57Å; F13-Y518 AromaticContact CG-CE2 3.54Å; F13-Y518 HydrophobicContact CG-CE2 3.54Å; F13-Y518 AromaticContact CG-CG 3.74Å; F13-Y518 HydrophobicContact CG-CG 3.74Å; F13-Y518 AromaticContact CG-CZ 3.47Å; F13-Y518 VanDerWaalsContact CG-CZ 3.47Å; F13-Y518 AromaticContact CZ-CD1 3.68Å; F13-Y518 HydrophobicContact CZ-CD1 3.68Å; F13-Y518 HydrophobicContact CZ-CE1 4.24Å; F13-Y518 HydrophobicContact CZ-CG 4.03Å; Y518-K520 PolarHBondContact O-N 3.46Å; Y518-K520 VanDerWaalsContact O-N 3.17Å
519	M	79.7	Confident	78	Confident	11 Å²	11	33.2 Å²	33.2	5%	0.054	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	25.3	-162.9	-66.6	-171.2	84.2	0	0	116.1	F13 A14 A15 G517 W521 I529 W530 M535	F13-M519 VanDerWaalsContact CA-SD 3.59Å; F13-M519 HydrophobicContact CB-CG 3.89Å; F13-M519 HydrophobicContact CB-SD 3.79Å; F13-M519 HydrophobicContact CD1-CB 3.82Å; F13-M519 HydrophobicContact CD1-CG 3.68Å; F13-M519 HydrophobicContact CD1-SD 3.97Å; F13-M519 HydrophobicContact CE1-CB 4.48Å; F13-M519 HydrophobicContact CG-CG 4.28Å; F13-M519 HydrophobicContact CG-SD 4.36Å; A14-M519 PolarHBondContact N-SD 3.33Å; A14-M519 VanDerWaalsContact N-SD 3.41Å; A15-M519 VanDerWaalsContact N-CE 3.29Å; A15-M519 PolarHBondContact N-SD 2.76Å; G517-M519 PolarHBondContact O-N 2.75Å; G517-M519 VanDerWaalsContact O-N 3.08Å; M519-W521 HydrophobicContact CB-CZ3 3.99Å; M519-W521 HydrophobicContact CG-CZ3 4.46Å; M519-W521 VanDerWaalsContact O-CE3 3.31Å; M519-W521 VanDerWaalsContact O-CZ3 3.29Å; M519-W521 WeakPolarHBondContact O-CZ3 3.35Å; M519-I529 CarbonylContact O-C 3.55Å; M519-I529 VanDerWaalsContact O-CA 3.31Å; M519-I529 WeakPolarHBondContact O-CA 3.4Å; M519-W530 PolarHBondContact O-N 3.4Å; M519-M535 HydrophobicContact CE-CE 3.31Å; M519-M535 HydrophobicContact CE-CG 4.43Å; M519-M535 HydrophobicContact CE-SD 3.42Å; M519-M535 WeakPolarHBondContact CE-SD 3.01Å
520	K	88.7	Confident	79	Confident	87 Å²	87	33.2 Å²	33.2	38%	0.378	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.4	176.9	-63.1	-177.6	177.2	-172.6	0	111.4	C516 G517 Y518 C527 Q528 I529	C516-K520 PolarHBondContact N-O 3.31Å; C516-K520 VanDerWaalsContact SG-CB 3.59Å; C516-K520 PolarHBondContact SG-O 2.92Å; C516-K520 VanDerWaalsContact SG-O 3.42Å; G517-K520 PolarHBondContact N-O 2.87Å; G517-K520 PolarHBondContact O-N 2.85Å; Y518-K520 PolarHBondContact O-N 3.46Å; Y518-K520 VanDerWaalsContact O-N 3.17Å; K520-C527 WeakPolarHBondContact CB-SG 3.16Å; K520-Q528 CarbonylContact C-O 3.54Å; K520-Q528 WeakPolarHBondContact CA-O 3.32Å; K520-Q528 WeakPolarHBondContact CB-O 3.21Å; K520-I529 HydrophobicContact CG-CG1 4.23Å
521	W	89.2	Confident	79.6	Confident	7 Å²	7	36 Å²	36	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.5	177.8	-74.1	-101.1	0	0	0	109.8	T514 Y515 C516 M519 L523 Q528 W530 M535 P536 N579	T514-W521 CarbonylContact O-C 3.11Å; T514-W521 WeakPolarHBondContact O-CA 3.33Å; T514-W521 WeakPolarHBondContact O-CB 3.48Å; Y515-W521 VanDerWaalsContact CA-CD1 3.46Å; Y515-W521 HydrophobicContact CD2-CD2 4.32Å; Y515-W521 AromaticContact CD2-CE2 3.81Å; Y515-W521 HydrophobicContact CD2-CH2 4.4Å; Y515-W521 AromaticContact CD2-CZ2 3.83Å; Y515-W521 HydrophobicContact CD2-CZ2 3.83Å; Y515-W521 HydrophobicContact CE2-CZ2 4.45Å; C516-W521 VanDerWaalsContact SG-C 3.52Å; C516-W521 PolarHBondContact SG-N 3.43Å; M519-W521 HydrophobicContact CB-CZ3 3.99Å; M519-W521 HydrophobicContact CG-CZ3 4.46Å; M519-W521 VanDerWaalsContact O-CE3 3.31Å; M519-W521 VanDerWaalsContact O-CZ3 3.29Å; M519-W521 WeakPolarHBondContact O-CZ3 3.35Å; W521-L523 PolarHBondContact O-N 3.43Å; W521-Q528 PolarHBondContact N-O 2.98Å; W521-Q528 PolarHBondContact O-N 3.39Å; W521-Q528 VanDerWaalsContact O-O 3.11Å; W521-W530 HydrophobicContact CB-CE3 4.01Å; W521-W530 HydrophobicContact CD2-CB 4.34Å; W521-W530 HydrophobicContact CD2-CE3 4.45Å; W521-W530 HydrophobicContact CE3-CB 3.47Å; W521-W530 VanDerWaalsContact CE3-CB 3.47Å; W521-W530 HydrophobicContact CE3-CG 4.29Å; W521-W530 HydrophobicContact CG-CE3 4.18Å; W521-W530 HydrophobicContact CZ3-CB 3.66Å; W521-W530 HydrophobicContact CZ3-CG 4.49Å; W521-M535 HydrophobicContact CH2-CE 3.51Å; W521-M535 HydrophobicContact CZ3-CE 3.72Å; W521-P536 HydrophobicContact CD2-CG 4.24Å; W521-P536 HydrophobicContact CH2-CG 3.92Å; W521-P536 HydrophobicContact CZ2-CB 4.37Å; W521-P536 HydrophobicContact CZ2-CG 3.43Å; W521-P536 VanDerWaalsContact CZ2-CG 3.43Å; W521-P536 HydrophobicContact CZ3-CG 4.47Å; W521-N579 HydrophobicContact CZ2-CB 4.4Å; W521-N579 PolarHBondContact NE1-OD1 3.33Å
522	C	79.8	Confident	79.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	115.5	179	-60	0	0	0	0	110.4	C492 A510 G513 T514 T526	C492-C522 WeakPolarHBondContact CA-SG 3.44Å; C492-C522 HydrophobicContact CB-CB 3.6Å; C492-C522 WeakPolarHBondContact CB-SG 3.49Å; C492-C522 WeakPolarHBondContact SG-CA 3.34Å; C492-C522 WeakPolarHBondContact SG-CB 3.49Å; C492-C522 CovalentContact SG-SG 2.04Å; C492-C522 PolarHBondContact SG-SG 3.25Å; A510-C522 HydrophobicContact CB-CB 4.08Å; A510-C522 WeakPolarHBondContact CB-SG 3.31Å; A510-C522 WeakPolarHBondContact O-CB 3.33Å; G513-C522 PolarHBondContact N-O 3.22Å; T514-C522 PolarHBondContact O-N 2.94Å; C522-T526 WeakPolarHBondContact CA-O 3.48Å
523	L	74.7	Confident	79.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	128.5	-177.4	-64.8	168.3	0	0	0	106.3	L459 E512 W521 G525 T526 Q528 W530 K531	L459-L523 HydrophobicContact CD1-CD2 4.46Å; E512-L523 HydrophobicContact CG-CD2 4.32Å; E512-L523 WeakPolarHBondContact OE1-CD2 3.15Å; W521-L523 PolarHBondContact O-N 3.43Å; L523-G525 PolarHBondContact O-N 2.86Å; L523-T526 PolarHBondContact N-O 3.01Å; L523-T526 PolarHBondContact O-N 3.09Å; L523-T526 PolarHBondContact O-OG1 2.89Å; L523-T526 VanDerWaalsContact O-OG1 3.12Å; L523-Q528 HydrophobicContact CB-CB 4.42Å; L523-Q528 HydrophobicContact CB-CG 4.46Å; L523-Q528 HydrophobicContact CD1-CB 4.34Å; L523-Q528 PolarHBondContact O-NE2 3.21Å; L523-W530 HydrophobicContact CD1-CE3 4.3Å; L523-W530 HydrophobicContact CD2-CE3 4.45Å; L523-W530 HydrophobicContact CD2-CZ3 3.98Å; L523-K531 HydrophobicContact CD1-CB 3.61Å; L523-K531 HydrophobicContact CD1-CD 4.44Å; L523-K531 HydrophobicContact CD1-CG 4.1Å
524	E	69	Low	78.8	Confident	103 Å²	103	44 Å²	44	48%	0.481	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	35.7	-179.2	-52.9	165.3	142	0	0	112.5	Q22 E512 T526 Q528	Q22-E524 WeakPolarHBondContact O-CA 3.35Å; E512-E524 PolarHBondContact OE2-N 2.83Å; E524-T526 PolarHBondContact O-N 3.06Å; E524-T526 VanDerWaalsContact O-N 3.13Å; E524-Q528 PolarHBondContact OE2-NE2 3.43Å
525	G	60.2	Low	78.3	Confident	22 Å²	22	46.5 Å²	46.5	23%	0.227	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	7.3	-178.5	0	0	0	0	0	114.9	C492 K493 L523	C492-G525 CarbonylContact C-O 3.54Å; C492-G525 VanDerWaalsContact C-O 3.22Å; K493-G525 PolarHBondContact N-O 3.15Å; L523-G525 PolarHBondContact O-N 2.86Å
526	T	67.8	Low	78	Confident	66 Å²	66	43.6 Å²	43.6	41%	0.405	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.5	-176.6	58.3	0	0	0	0	111.9	C522 L523 E524 Q528	C522-T526 WeakPolarHBondContact CA-O 3.48Å; L523-T526 PolarHBondContact N-O 3.01Å; L523-T526 PolarHBondContact O-N 3.09Å; L523-T526 PolarHBondContact O-OG1 2.89Å; L523-T526 VanDerWaalsContact O-OG1 3.12Å; E524-T526 PolarHBondContact O-N 3.06Å; E524-T526 VanDerWaalsContact O-N 3.13Å; T526-Q528 PolarHBondContact O-N 2.72Å; T526-Q528 VanDerWaalsContact O-N 3.07Å; T526-Q528 VanDerWaalsContact OG1-CG 3.28Å; T526-Q528 WeakPolarHBondContact OG1-CG 3.36Å; T526-Q528 PolarHBondContact OG1-NE2 2.04Å
527	C	85.7	Confident	77.6	Confident	31 Å²	31	48.9 Å²	48.9	21%	0.209	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	79.7	-179.8	-172.3	0	0	0	0	111	G489 C492 C516 K520	G489-C527 VanDerWaalsContact CA-CB 3.48Å; G489-C527 VanDerWaalsContact CA-SG 3.56Å; G489-C527 WeakPolarHBondContact O-CB 3.39Å; C492-C527 VanDerWaalsContact SG-CA 3.55Å; C492-C527 VanDerWaalsContact SG-CB 3.6Å; C516-C527 VanDerWaalsContact C-SG 3.52Å; C516-C527 HydrophobicContact CB-CB 3.94Å; C516-C527 WeakPolarHBondContact CB-SG 3.23Å; C516-C527 PolarHBondContact O-SG 3.38Å; C516-C527 WeakPolarHBondContact SG-CA 3.23Å; C516-C527 WeakPolarHBondContact SG-CB 3.43Å; C516-C527 CovalentContact SG-SG 2.04Å; C516-C527 PolarHBondContact SG-SG 3.08Å; K520-C527 WeakPolarHBondContact CB-SG 3.16Å
528	Q	84.9	Confident	77.7	Confident	38 Å²	38	51.8 Å²	51.8	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	160.9	179.5	-52.9	-167.9	56	0	0	110.4	K520 W521 L523 E524 T526	K520-Q528 CarbonylContact C-O 3.54Å; K520-Q528 WeakPolarHBondContact CA-O 3.32Å; K520-Q528 WeakPolarHBondContact CB-O 3.21Å; W521-Q528 PolarHBondContact N-O 2.98Å; W521-Q528 PolarHBondContact O-N 3.39Å; W521-Q528 VanDerWaalsContact O-O 3.11Å; L523-Q528 HydrophobicContact CB-CB 4.42Å; L523-Q528 HydrophobicContact CB-CG 4.46Å; L523-Q528 HydrophobicContact CD1-CB 4.34Å; L523-Q528 PolarHBondContact O-NE2 3.21Å; E524-Q528 PolarHBondContact OE2-NE2 3.43Å; T526-Q528 PolarHBondContact O-N 2.72Å; T526-Q528 VanDerWaalsContact O-N 3.07Å; T526-Q528 VanDerWaalsContact OG1-CG 3.28Å; T526-Q528 WeakPolarHBondContact OG1-CG 3.36Å; T526-Q528 PolarHBondContact OG1-NE2 2.04Å
529	I	84	Confident	77.9	Confident	87 Å²	87	48 Å²	48	45%	0.446	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	151.8	164.4	-59.8	176	0	0	0	108	F16 M519 K520	F16-I529 VanDerWaalsContact O-CG2 3.31Å; F16-I529 WeakPolarHBondContact O-CG2 3.49Å; M519-I529 CarbonylContact O-C 3.55Å; M519-I529 VanDerWaalsContact O-CA 3.31Å; M519-I529 WeakPolarHBondContact O-CA 3.4Å; K520-I529 HydrophobicContact CG-CG1 4.23Å
530	W	80.1	Confident	78.4	Confident	6 Å²	6	52 Å²	52	2%	0.023	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-48.4	148.1	178.2	178.9	-126.2	0	0	0	111.5	S17 L459 Q462 M519 W521 L523 G532 S534 M535 P536	S17-W530 CarbonylContact C-O 3.29Å; S17-W530 WeakPolarHBondContact CA-O 3.1Å; S17-W530 VanDerWaalsContact OG-CD1 3.24Å; L459-W530 HydrophobicContact CD1-CH2 3.67Å; L459-W530 HydrophobicContact CD1-CZ3 4.12Å; L459-W530 HydrophobicContact CG-CH2 4.15Å; Q462-W530 HydrophobicContact CG-CH2 4.44Å; M519-W530 PolarHBondContact O-N 3.4Å; W521-W530 HydrophobicContact CB-CE3 4.01Å; W521-W530 HydrophobicContact CD2-CB 4.34Å; W521-W530 HydrophobicContact CD2-CE3 4.45Å; W521-W530 HydrophobicContact CE3-CB 3.47Å; W521-W530 VanDerWaalsContact CE3-CB 3.47Å; W521-W530 HydrophobicContact CE3-CG 4.29Å; W521-W530 HydrophobicContact CG-CE3 4.18Å; W521-W530 HydrophobicContact CZ3-CB 3.66Å; W521-W530 HydrophobicContact CZ3-CG 4.49Å; L523-W530 HydrophobicContact CD1-CE3 4.3Å; L523-W530 HydrophobicContact CD2-CE3 4.45Å; L523-W530 HydrophobicContact CD2-CZ3 3.98Å; W530-G532 VanDerWaalsContact CE2-N 3.31Å; W530-S534 PolarHBondContact NE1-O 3.48Å; W530-M535 HydrophobicContact CB-CE 4.47Å; W530-M535 HydrophobicContact CB-SD 4Å; W530-M535 HydrophobicContact CG-SD 4.05Å; W530-P536 HydrophobicContact CD2-CG 4.31Å; W530-P536 HydrophobicContact CG-CG 4.47Å
531	K	71.6	Confident	78.4	Confident	63 Å²	63	48.5 Å²	48.5	27%	0.274	30%	0.3	S	S	.	.			trans	-149.3	91.1	176.5	-72	-171.9	-176.2	171.3	0	111.2	I18 N19 A20 L523	I18-K531 VanDerWaalsContact C-CA 3.46Å; I18-K531 WeakPolarHBondContact O-CB 3.38Å; I18-K531 WeakPolarHBondContact O-CG 3.03Å; N19-K531 CarbonylContact C-O 3.6Å; N19-K531 WeakPolarHBondContact CA-O 3.48Å; N19-K531 PolarHBondContact N-O 3.22Å; N19-K531 VanDerWaalsContact N-O 3.13Å; N19-K531 WeakPolarHBondContact O-CB 3.49Å; N19-K531 WeakPolarHBondContact O-CD 3.4Å; A20-K531 PolarHBondContact N-O 2.85Å; L523-K531 HydrophobicContact CD1-CB 3.61Å; L523-K531 HydrophobicContact CD1-CD 4.44Å; L523-K531 HydrophobicContact CD1-CG 4.1Å
532	G	66.2	Low	78.3	Confident	9 Å²	9	52.3 Å²	52.3	9%	0.093	32%	0.321	C	S	.	.	S	Bend	trans	-153.7	-167	168.3	0	0	0	0	0	113.7	S17 W530	S17-G532 WeakPolarHBondContact CB-O 3.46Å; S17-G532 PolarHBondContact OG-O 2.93Å; W530-G532 VanDerWaalsContact CE2-N 3.31Å
533	G	66.2	Low	78.7	Confident	78 Å²	78	54.2 Å²	54.2	80%	0.804	33%	0.328	S	S	*	.	S	Bend	trans	-68.9	-42.4	-179.5	0	0	0	0	0	113.8
534	S	72.7	Confident	79.2	Confident	90 Å²	90	55.6 Å²	55.6	63%	0.629	34%	0.339	S	S	*	.	S	Bend	trans	-130.4	158	178.3	55.3	0	0	0	0	110.6	W530	W530-S534 PolarHBondContact NE1-O 3.48Å
535	M	75.6	Confident	80.1	Confident	54 Å²	54	58.9 Å²	58.9	27%	0.266	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.5	135.6	176.8	-82.5	-64.7	-50.7	0	0	111.6	F16 M519 W521 W530	F16-M535 HydrophobicContact CE2-CG 4.4Å; M519-M535 HydrophobicContact CE-CE 3.31Å; M519-M535 HydrophobicContact CE-CG 4.43Å; M519-M535 HydrophobicContact CE-SD 3.42Å; M519-M535 WeakPolarHBondContact CE-SD 3.01Å; W521-M535 HydrophobicContact CH2-CE 3.51Å; W521-M535 HydrophobicContact CZ3-CE 3.72Å; W530-M535 HydrophobicContact CB-CE 4.47Å; W530-M535 HydrophobicContact CB-SD 4Å; W530-M535 HydrophobicContact CG-SD 4.05Å
536	P	81.3	Confident	81.4	Confident	13 Å²	13	61 Å²	61	8%	0.084	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-60.9	144.5	165.5	23	-32.6	0	0	0	111.8	Q462 W521 W530 N579	Q462-P536 HydrophobicContact CG-CB 4.18Å; W521-P536 HydrophobicContact CD2-CG 4.24Å; W521-P536 HydrophobicContact CH2-CG 3.92Å; W521-P536 HydrophobicContact CZ2-CB 4.37Å; W521-P536 HydrophobicContact CZ2-CG 3.43Å; W521-P536 VanDerWaalsContact CZ2-CG 3.43Å; W521-P536 HydrophobicContact CZ3-CG 4.47Å; W530-P536 HydrophobicContact CD2-CG 4.31Å; W530-P536 HydrophobicContact CG-CG 4.47Å; P536-N579 HydrophobicContact CB-CB 4.19Å
537	V	83.4	Confident	82.2	Confident	113 Å²	113	62.1 Å²	62.1	69%	0.685	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-88.7	126.8	178.5	-177.5	0	0	0	0	109.8	N579	V537-N579 VanDerWaalsContact O-CB 3.27Å; V537-N579 WeakPolarHBondContact O-CB 3.36Å; V537-N579 PolarHBondContact O-ND2 2.78Å
538	P	87.6	Confident	82.1	Confident	78 Å²	78	64.9 Å²	64.9	51%	0.506	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-60	144.5	173.9	-24.8	34.9	0	0	0	113.4
539	V	87.9	Confident	81.6	Confident	52 Å²	52	67.1 Å²	67.1	32%	0.315	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-127	115.7	176.3	-177.2	0	0	0	0	108.5	P575 A577 N578 G581	V539-P575 HydrophobicContact CG1-CB 4.01Å; V539-P575 HydrophobicContact CG1-CG 3.75Å; V539-A577 WeakPolarHBondContact O-CA 3.44Å; V539-N578 HydrophobicContact CB-CB 4.02Å; V539-N578 HydrophobicContact CG2-CB 4.34Å; V539-N578 PolarHBondContact N-O 3.18Å; V539-N578 PolarHBondContact O-N 3.48Å; V539-G581 WeakPolarHBondContact O-CA 3.01Å
540	N	90.4	Very high	81	Confident	94 Å²	94	66 Å²	66	50%	0.503	37%	0.371	S	S	.	.			trans	-76.1	131.1	177.2	-62.4	-49.4	0	0	0	110.3	P575 K582	N540-P575 WeakPolarHBondContact O-CG 3.42Å; N540-K582 HydrophobicContact CB-CB 4.47Å; N540-K582 PolarHBondContact OD1-N 3.18Å
541	G	88.3	Confident	80.6	Confident	14 Å²	14	69.6 Å²	69.6	14%	0.144	39%	0.39	C	S	.	.			trans	-69.1	145.4	176.6	0	0	0	0	0	112.8	P575 K582	G541-P575 CarbonylContact C-O 3.45Å; G541-P575 VanDerWaalsContact CA-O 3.31Å; G541-P575 WeakPolarHBondContact CA-O 3.24Å; G541-K582 PolarHBondContact N-O 2.89Å
542	N	87	Confident	80.7	Confident	87 Å²	87	74.4 Å²	74.4	47%	0.465	41%	0.414	S	S	.	.			trans	-144.9	152	171.6	175.8	46.9	0	0	0	110.9	T573 N574 P575 C584	N542-T573 PolarHBondContact O-N 3.11Å; N542-N574 WeakPolarHBondContact CB-O 3.33Å; N542-N574 PolarHBondContact ND2-O 2.8Å; N542-N574 CarbonylContact O-C 3.53Å; N542-N574 PolarHBondContact O-N 3.32Å; N542-P575 PolarHBondContact N-O 2.74Å; N542-C584 WeakPolarHBondContact CA-SG 3.4Å; N542-C584 PolarHBondContact N-SG 3.3Å
543	W	86.9	Confident	81.4	Confident	40 Å²	40	81.4 Å²	81.4	15%	0.152	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-70.9	139.3	-172	-67.9	110.1	0	0	0	112.5	R570 C572 C584 V585 G586 E588	W543-R570 VanDerWaalsContact CD1-NH1 3.28Å; W543-R570 HydrophobicContact CD2-CG 4.19Å; W543-R570 HydrophobicContact CE3-CB 4.26Å; W543-R570 HydrophobicContact CE3-CG 3.61Å; W543-R570 HydrophobicContact CZ3-CG 3.89Å; W543-C572 HydrophobicContact CE3-CB 4.35Å; W543-C572 HydrophobicContact CZ3-CB 4.15Å; W543-C584 HydrophobicContact CD2-CB 3.84Å; W543-C584 VanDerWaalsContact CE2-CB 3.44Å; W543-C584 HydrophobicContact CE3-CB 4.27Å; W543-C584 HydrophobicContact CG-CB 4.39Å; W543-C584 HydrophobicContact CH2-CB 3.97Å; W543-C584 HydrophobicContact CZ2-CB 3.51Å; W543-C584 HydrophobicContact CZ3-CB 4.33Å; W543-V585 PolarHBondContact NE1-O 2.9Å; W543-G586 WeakPolarHBondContact CZ2-O 3.34Å; W543-E588 HydrophobicContact CH2-CB 4.48Å; W543-E588 HydrophobicContact CH2-CG 3.73Å; W543-E588 HydrophobicContact CZ3-CG 3.94Å
544	A	85.7	Confident	82.4	Confident	29 Å²	29	78.7 Å²	78.7	24%	0.24	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-70.8	171.3	156.4	0	0	0	0	0	110.9	L571 T573	A544-L571 WeakPolarHBondContact CB-O 3.47Å; A544-L571 PolarHBondContact N-O 3.46Å; A544-T573 WeakPolarHBondContact CB-OG1 3.36Å
545	Q	88.5	Confident	83	Confident	173 Å²	173	75.7 Å²	75.7	81%	0.808	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-62.1	160.2	170	-62.6	-61.5	-17	0	0	111.2
546	W	87.5	Confident	83.6	Confident	66 Å²	66	79.3 Å²	79.3	25%	0.25	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-71.4	127.4	173.8	-68.8	93.2	0	0	0	110.7	E548 Q569 R570 E588 R590	W546-E548 HydrophobicContact CB-CG 4.11Å; W546-E548 WeakPolarHBondContact CB-OE1 3.37Å; W546-E548 PolarHBondContact O-N 2.04Å; W546-Q569 CarbonylContact C-O 3.55Å; W546-Q569 WeakPolarHBondContact CA-O 3.34Å; W546-Q569 VanDerWaalsContact CE3-C 3.44Å; W546-R570 HydrophobicContact CD2-CB 3.91Å; W546-R570 HydrophobicContact CD2-CG 3.99Å; W546-R570 HydrophobicContact CE3-CB 3.88Å; W546-R570 HydrophobicContact CE3-CG 3.87Å; W546-R570 HydrophobicContact CG-CB 4.3Å; W546-R570 HydrophobicContact CH2-CG 3.8Å; W546-R570 VanDerWaalsContact CZ2-CD 3.48Å; W546-R570 HydrophobicContact CZ2-CG 3.95Å; W546-R570 VanDerWaalsContact CZ2-NE 3.35Å; W546-R570 HydrophobicContact CZ3-CB 4.28Å; W546-R570 HydrophobicContact CZ3-CG 3.77Å; W546-E588 WeakPolarHBondContact CZ3-O 3.17Å; W546-R590 HydrophobicContact CE3-CG 4.16Å; W546-R590 HydrophobicContact CH2-CB 4Å; W546-R590 HydrophobicContact CH2-CG 3.87Å; W546-R590 HydrophobicContact CZ3-CB 4.11Å; W546-R590 HydrophobicContact CZ3-CG 3.64Å
547	E	83.9	Confident	83.9	Confident	90 Å²	90	81.5 Å²	81.5	42%	0.421	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-74.5	94.7	155.9	-66.3	-173	171.8	0	0	106.1	K476 S568 Q569	K476-E547 IonicContact NZ-OE1 3.82Å; K476-E547 PolarHBondContact NZ-OE1 3.48Å; E547-S568 WeakPolarHBondContact O-CA 3.1Å; E547-Q569 PolarHBondContact N-O 3.11Å; E547-Q569 PolarHBondContact O-N 3.39Å
548	E	84.7	Confident	84.3	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.411	41%	0.409	S	S	.	.			trans	-77.3	140.8	-175.2	-63	-71.3	-172.9	0	0	112.4	W546 M550 S568 R590	W546-E548 HydrophobicContact CB-CG 4.11Å; W546-E548 WeakPolarHBondContact CB-OE1 3.37Å; W546-E548 PolarHBondContact O-N 2.04Å; E548-M550 PolarHBondContact O-N 2.73Å; E548-S568 WeakPolarHBondContact CA-OG 3.27Å; E548-S568 WeakPolarHBondContact OE2-CB 3Å; E548-S568 PolarHBondContact OE2-OG 3.02Å; E548-R590 IonicContact OE1-CZ 2.79Å; E548-R590 IonicContact OE1-NH1 3.38Å; E548-R590 IonicContact OE1-NH2 3.18Å; E548-R590 PolarHBondContact OE1-NH2 3.18Å; E548-R590 IonicContact OE2-CZ 3.67Å; E548-R590 IonicContact OE2-NE 3.98Å; E548-R590 IonicContact OE2-NH2 2.63Å; E548-R590 PolarHBondContact OE2-NH2 3.02Å
549	H	74.2	Confident	84.5	Confident	85 Å²	85	76.7 Å²	76.7	39%	0.394	39%	0.385	S	S	.	.			trans	49.9	56.2	170.9	-57.4	-28.7	0	0	0	113.5	D551 L567 S568	H549-D551 CarbonylContact O-C 3.49Å; H549-D551 PolarHBondContact O-N 3.17Å; H549-D551 VanDerWaalsContact O-N 3.09Å; H549-L567 CarbonylContact C-O 3.48Å; H549-L567 VanDerWaalsContact CA-O 3.23Å; H549-L567 WeakPolarHBondContact CA-O 3.46Å; H549-L567 PolarHBondContact N-O 3.1Å; H549-S568 PolarHBondContact N-OG 3.06Å; H549-S568 VanDerWaalsContact N-OG 3.14Å
550	M	71.6	Confident	84.7	Confident	65 Å²	65	76.7 Å²	76.7	32%	0.32	38%	0.383	S	S	.	.	S	Bend	trans	-56.9	-28.4	-175.8	-57.3	-165.1	-60.8	0	0	113.3	E548 L567 Q569 Y589	E548-M550 PolarHBondContact O-N 2.73Å; M550-L567 HydrophobicContact CE-CB 4.25Å; M550-L567 PolarHBondContact N-O 3.36Å; M550-Q569 HydrophobicContact CE-CB 3.74Å; M550-Q569 HydrophobicContact SD-CB 3.49Å; M550-Q569 WeakPolarHBondContact SD-CB 3.35Å; M550-Y589 HydrophobicContact CE-CE1 4.31Å
551	D	72	Confident	84.7	Confident	81 Å²	81	79.3 Å²	79.3	43%	0.433	39%	0.386	S	S	.	.	S	Bend	trans	-105.1	118.9	167.4	-57	-78.7	0	0	0	108.8	H549 Q553	H549-D551 CarbonylContact O-C 3.49Å; H549-D551 PolarHBondContact O-N 3.17Å; H549-D551 VanDerWaalsContact O-N 3.09Å; D551-Q553 PolarHBondContact O-N 2.85Å; D551-Q553 VanDerWaalsContact O-N 3.16Å
552	E	72	Confident	84.9	Confident	164 Å²	164	78.7 Å²	78.7	77%	0.766	38%	0.379	S	S	*	.	S	Bend	trans	-57.5	-31.1	177.9	-65.6	-174.4	162.7	0	0	112.1	R566	E552-R566 VanDerWaalsContact O-CZ 3.32Å; E552-R566 PolarHBondContact O-NE 3.18Å; E552-R566 VanDerWaalsContact O-NE 3.08Å; E552-R566 PolarHBondContact O-NH2 2.9Å
553	Q	81.9	Confident	85.1	Confident	155 Å²	155	77 Å²	77	72%	0.724	37%	0.37	S	S	*	.	S	Bend	trans	-108.3	140.1	-176.2	-58.5	-173.7	15.8	0	0	111.4	D551	D551-Q553 PolarHBondContact O-N 2.85Å; D551-Q553 VanDerWaalsContact O-N 3.16Å
554	C	86.4	Confident	85.3	Confident	21 Å²	21	78.9 Å²	78.9	14%	0.142	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-68.4	147.8	176.2	-53.3	0	0	0	0	111.9	R564 V565 R566 C594	C554-R564 PolarHBondContact O-NH2 2.87Å; C554-V565 WeakPolarHBondContact CA-O 3.46Å; C554-R566 HydrophobicContact CB-CG 4.45Å; C554-C594 HydrophobicContact CB-CB 3.64Å; C554-C594 WeakPolarHBondContact CB-SG 3.47Å; C554-C594 WeakPolarHBondContact SG-CB 3.37Å; C554-C594 CovalentContact SG-SG 2.02Å; C554-C594 PolarHBondContact SG-SG 3.36Å
555	S	86.3	Confident	85.5	Confident	28 Å²	28	78 Å²	78	20%	0.196	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-48.3	141.7	-178.6	65.5	0	0	0	0	113.1	R564 V565	S555-R564 PolarHBondContact O-NE 2.86Å; S555-R564 PolarHBondContact O-NH2 2.97Å; S555-R564 WeakPolarHBondContact OG-CA 3.27Å; S555-V565 PolarHBondContact N-O 3.29Å; S555-V565 PolarHBondContact OG-N 2.97Å
556	Q	87.3	Confident	85.5	Confident	130 Å²	130	74 Å²	74	61%	0.607	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-77.9	137.3	178	-68.7	174.7	-17.6	0	0	110.1	K558 Q562	Q556-K558 PolarHBondContact O-N 2.83Å; Q556-Q562 PolarHBondContact O-NE2 2.96Å; Q556-Q562 PolarHBondContact O-OE1 2.75Å
557	C	88.2	Confident	85.5	Confident	58 Å²	58	71.1 Å²	71.1	39%	0.392	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-61.2	127.1	167	-65.9	0	0	0	0	110.3	C599	C557-C599 WeakPolarHBondContact CA-SG 3.21Å; C557-C599 HydrophobicContact CB-CB 3.53Å; C557-C599 WeakPolarHBondContact CB-SG 3.49Å; C557-C599 VanDerWaalsContact SG-CA 3.51Å; C557-C599 WeakPolarHBondContact SG-CB 3.35Å; C557-C599 CovalentContact SG-SG 2.04Å; C557-C599 PolarHBondContact SG-SG 2.9Å
558	K	91	Very high	85.7	Confident	90 Å²	90	66.9 Å²	66.9	39%	0.391	32%	0.316	S	S	.	.			trans	-137.8	-25	175.7	-66.1	178.3	-177.3	173	0	112.1	Q556 Y602 F607 P654	Q556-K558 PolarHBondContact O-N 2.83Å; K558-Y602 PolarHBondContact O-N 3.11Å; K558-F607 HydrophobicContact CB-CD2 4.44Å; K558-F607 HydrophobicContact CB-CE2 3.94Å; K558-F607 HydrophobicContact CD-CE2 4.34Å; K558-P654 HydrophobicContact CB-CG 4.43Å; K558-P654 HydrophobicContact CD-CG 4.19Å
559	I	92.6	Very high	85.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-127.8	146.5	-174	-64.3	178.4	0	0	0	110.1	Q562 C599 Y602 P604 F607 F653 P654 T657	I559-Q562 HydrophobicContact CB-CB 4.32Å; I559-Q562 WeakPolarHBondContact O-CB 2.95Å; I559-Q562 PolarHBondContact O-N 3.47Å; I559-C599 WeakPolarHBondContact O-CB 3.29Å; I559-Y602 CarbonylContact C-O 3.59Å; I559-Y602 WeakPolarHBondContact CA-O 3.47Å; I559-Y602 WeakPolarHBondContact CG2-O 3.42Å; I559-P604 HydrophobicContact CG2-CG 3.96Å; I559-F607 HydrophobicContact CD1-CB 3.91Å; I559-F607 HydrophobicContact CD1-CD1 3.87Å; I559-F607 HydrophobicContact CD1-CD2 4.17Å; I559-F607 HydrophobicContact CD1-CE1 4.47Å; I559-F607 HydrophobicContact CD1-CG 3.7Å; I559-F607 HydrophobicContact CG1-CB 3.96Å; I559-F607 HydrophobicContact CG1-CD1 4.48Å; I559-F607 HydrophobicContact CG1-CD2 3.9Å; I559-F607 HydrophobicContact CG1-CG 3.85Å; I559-F653 HydrophobicContact CD1-CD1 3.56Å; I559-F653 HydrophobicContact CD1-CE1 4Å; I559-P654 HydrophobicContact CD1-CG 4.3Å; I559-T657 HydrophobicContact CD1-CG2 4.07Å; I559-T657 HydrophobicContact CG2-CG2 4.35Å
560	D	91.8	Very high	86.2	Confident	52 Å²	52	61.4 Å²	61.4	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	135.4	172.5	173.4	57.8	0	0	0	112.3	Q562 C599 Y602	D560-Q562 PolarHBondContact O-N 2.86Å; D560-C599 CarbonylContact C-O 3.54Å; D560-Y602 PolarHBondContact N-O 3.06Å
561	R	90.9	Very high	86.6	Confident	149 Å²	149	59.4 Å²	59.4	56%	0.562	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	19.8	-177.6	-68.2	169.2	-71.9	136.9	8.7	114.8	V598 C599	R561-V598 HydrophobicContact CG-CG1 4.14Å; R561-C599 PolarHBondContact N-O 3.49Å
562	Q	92.4	Very high	86.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-64.5	135.9	169.7	-172	-164.5	-12.5	0	0	110.5	Q556 I559 D560 C599 D655 G656	Q556-Q562 PolarHBondContact O-NE2 2.96Å; Q556-Q562 PolarHBondContact O-OE1 2.75Å; I559-Q562 HydrophobicContact CB-CB 4.32Å; I559-Q562 WeakPolarHBondContact O-CB 2.95Å; I559-Q562 PolarHBondContact O-N 3.47Å; D560-Q562 PolarHBondContact O-N 2.86Å; Q562-C599 HydrophobicContact CB-CB 3.88Å; Q562-C599 VanDerWaalsContact O-CB 3.26Å; Q562-C599 WeakPolarHBondContact O-CB 3.27Å; Q562-C599 PolarHBondContact O-SG 3.35Å; Q562-D655 PolarHBondContact NE2-O 2.67Å; Q562-G656 CarbonylContact C-O 3.46Å; Q562-G656 WeakPolarHBondContact CA-O 3.5Å
563	L	91.3	Very high	87	Confident	53 Å²	53	50.8 Å²	50.8	28%	0.277	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-81.4	143	168.8	-67.5	-176.3	0	0	0	111.6	V565 V593 G656 H664	L563-V565 HydrophobicContact CB-CG1 4.39Å; L563-V593 HydrophobicContact CD1-CG2 4.21Å; L563-G656 PolarHBondContact N-O 2.83Å; L563-G656 WeakPolarHBondContact O-CA 3.42Å; L563-H664 VanDerWaalsContact CD1-CE1 3.5Å; L563-H664 WeakPolarHBondContact CD1-CE1 3.05Å; L563-H664 WeakPolarHBondContact CD1-ND1 3.46Å
564	R	90.8	Very high	87	Confident	78 Å²	78	48.4 Å²	48.4	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.6	173	-62.7	-167.7	66.6	-150.5	-4.3	110.3	C554 S555 V593 C594	C554-R564 PolarHBondContact O-NH2 2.87Å; S555-R564 PolarHBondContact O-NE 2.86Å; S555-R564 PolarHBondContact O-NH2 2.97Å; S555-R564 WeakPolarHBondContact OG-CA 3.27Å; R564-V593 WeakPolarHBondContact O-CA 3.48Å; R564-C594 PolarHBondContact O-N 3.14Å
565	V	90.3	Very high	86.8	Confident	11 Å²	11	50.2 Å²	50.2	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.8	-172.5	-63.5	0	0	0	0	113.2	C554 S555 L563 A591 T592 V593 D655	C554-V565 WeakPolarHBondContact CA-O 3.46Å; S555-V565 PolarHBondContact N-O 3.29Å; S555-V565 PolarHBondContact OG-N 2.97Å; L563-V565 HydrophobicContact CB-CG1 4.39Å; V565-A591 HydrophobicContact CB-CB 4.16Å; V565-A591 HydrophobicContact CG1-CB 4.19Å; V565-T592 CarbonylContact C-O 3.45Å; V565-T592 VanDerWaalsContact CA-O 3.29Å; V565-T592 WeakPolarHBondContact CA-O 3.41Å; V565-V593 HydrophobicContact CG1-CG2 4.4Å; V565-D655 HydrophobicContact CG2-CB 4.04Å
566	R	89.3	Confident	86.6	Confident	88 Å²	88	50.1 Å²	50.1	33%	0.332	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.3	158.3	-85.5	172.9	176.5	144	-5.3	109.3	E552 C554 A591 T592	E552-R566 VanDerWaalsContact O-CZ 3.32Å; E552-R566 PolarHBondContact O-NE 3.18Å; E552-R566 VanDerWaalsContact O-NE 3.08Å; E552-R566 PolarHBondContact O-NH2 2.9Å; C554-R566 HydrophobicContact CB-CG 4.45Å; R566-A591 WeakPolarHBondContact O-CA 3.21Å; R566-T592 PolarHBondContact N-O 3.37Å; R566-T592 PolarHBondContact O-N 2.98Å
567	L	87.4	Confident	86.4	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.5	176	-59.4	-176.9	0	0	0	111.9	H549 M550 A591 V666 R667	H549-L567 CarbonylContact C-O 3.48Å; H549-L567 VanDerWaalsContact CA-O 3.23Å; H549-L567 WeakPolarHBondContact CA-O 3.46Å; H549-L567 PolarHBondContact N-O 3.1Å; M550-L567 HydrophobicContact CE-CB 4.25Å; M550-L567 PolarHBondContact N-O 3.36Å; L567-A591 HydrophobicContact CD2-CB 4.18Å; L567-V666 HydrophobicContact CD2-CG1 3.92Å; L567-R667 HydrophobicContact CD1-CG 4.26Å
568	S	87.3	Confident	86.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.9	159.9	-56.3	0	0	0	0	109.1	E547 E548 H549 R590	E547-S568 WeakPolarHBondContact O-CA 3.1Å; E548-S568 WeakPolarHBondContact CA-OG 3.27Å; E548-S568 WeakPolarHBondContact OE2-CB 3Å; E548-S568 PolarHBondContact OE2-OG 3.02Å; H549-S568 PolarHBondContact N-OG 3.06Å; H549-S568 VanDerWaalsContact N-OG 3.14Å; S568-R590 PolarHBondContact N-O 2.87Å; S568-R590 PolarHBondContact O-N 2.97Å
569	Q	84.9	Confident	86.1	Confident	15 Å²	15	38.6 Å²	38.6	7%	0.07	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.4	178.9	-174.8	170.4	3.9	0	0	110.9	W546 E547 M550 L571 E588 Y589	W546-Q569 CarbonylContact C-O 3.55Å; W546-Q569 WeakPolarHBondContact CA-O 3.34Å; W546-Q569 VanDerWaalsContact CE3-C 3.44Å; E547-Q569 PolarHBondContact N-O 3.11Å; E547-Q569 PolarHBondContact O-N 3.39Å; M550-Q569 HydrophobicContact CE-CB 3.74Å; M550-Q569 HydrophobicContact SD-CB 3.49Å; M550-Q569 WeakPolarHBondContact SD-CB 3.35Å; Q569-L571 HydrophobicContact CG-CD2 4.33Å; Q569-E588 CarbonylContact C-O 3.43Å; Q569-E588 WeakPolarHBondContact CA-O 3.41Å; Q569-Y589 HydrophobicContact CB-CD1 4.01Å; Q569-Y589 HydrophobicContact CB-CE1 4.03Å; Q569-Y589 HydrophobicContact CG-CD1 3.98Å; Q569-Y589 HydrophobicContact CG-CE1 3.74Å; Q569-Y589 PolarHBondContact NE2-OH 3.17Å; Q569-Y589 VanDerWaalsContact OE1-CE1 3.24Å
570	R	84.8	Confident	85.7	Confident	44 Å²	44	40.2 Å²	40.2	17%	0.166	20%	0.204	C	C	.	.			trans	-132.6	156.2	164.4	59.1	173.4	177.7	172.1	4.4	109.8	W543 W546 S587 E588	W543-R570 VanDerWaalsContact CD1-NH1 3.28Å; W543-R570 HydrophobicContact CD2-CG 4.19Å; W543-R570 HydrophobicContact CE3-CB 4.26Å; W543-R570 HydrophobicContact CE3-CG 3.61Å; W543-R570 HydrophobicContact CZ3-CG 3.89Å; W546-R570 HydrophobicContact CD2-CB 3.91Å; W546-R570 HydrophobicContact CD2-CG 3.99Å; W546-R570 HydrophobicContact CE3-CB 3.88Å; W546-R570 HydrophobicContact CE3-CG 3.87Å; W546-R570 HydrophobicContact CG-CB 4.3Å; W546-R570 HydrophobicContact CH2-CG 3.8Å; W546-R570 VanDerWaalsContact CZ2-CD 3.48Å; W546-R570 HydrophobicContact CZ2-CG 3.95Å; W546-R570 VanDerWaalsContact CZ2-NE 3.35Å; W546-R570 HydrophobicContact CZ3-CB 4.28Å; W546-R570 HydrophobicContact CZ3-CG 3.77Å; R570-S587 VanDerWaalsContact CZ-O 3.3Å; R570-S587 PolarHBondContact NE-O 3.43Å; R570-S587 PolarHBondContact NH2-O 3.18Å; R570-E588 PolarHBondContact N-O 3.27Å
571	L	78.9	Confident	85.6	Confident	22 Å²	22	38.4 Å²	38.4	12%	0.115	20%	0.198	C	C	.	.			trans	-118.9	143.2	-177.1	-58.3	177.2	0	0	0	110.9	A544 Q569 T573	A544-L571 WeakPolarHBondContact CB-O 3.47Å; A544-L571 PolarHBondContact N-O 3.46Å; Q569-L571 HydrophobicContact CG-CD2 4.33Å; L571-T573 VanDerWaalsContact C-N 3.31Å; L571-T573 HydrophobicContact CB-CG2 3.92Å; L571-T573 PolarHBondContact O-N 2.59Å
572	C	76.8	Confident	85.3	Confident	9 Å²	9	39 Å²	39	6%	0.061	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-77.7	78	173.8	-172.1	0	0	0	0	110.2	W543 P576 C584	W543-C572 HydrophobicContact CE3-CB 4.35Å; W543-C572 HydrophobicContact CZ3-CB 4.15Å; C572-P576 WeakPolarHBondContact O-CA 3.14Å; C572-P576 WeakPolarHBondContact O-CB 3.26Å; C572-C584 WeakPolarHBondContact CA-SG 3.16Å; C572-C584 HydrophobicContact CB-CB 3.69Å; C572-C584 WeakPolarHBondContact CB-SG 3Å; C572-C584 WeakPolarHBondContact SG-CB 3.45Å; C572-C584 CovalentContact SG-SG 2.03Å; C572-C584 PolarHBondContact SG-SG 3.34Å
573	T	76.6	Confident	84.9	Confident	55 Å²	55	45 Å²	45	34%	0.337	23%	0.233	S	C	.	.			trans	-140	6.4	-168.1	52.1	0	0	0	0	115.8	N542 A544 L571	N542-T573 PolarHBondContact O-N 3.11Å; A544-T573 WeakPolarHBondContact CB-OG1 3.36Å; L571-T573 VanDerWaalsContact C-N 3.31Å; L571-T573 HydrophobicContact CB-CG2 3.92Å; L571-T573 PolarHBondContact O-N 2.59Å
574	N	81.9	Confident	84.7	Confident	106 Å²	106	43.5 Å²	43.5	57%	0.567	23%	0.227	S	C	*	.	S	Bend	trans	-129.6	66.7	-176.7	-170.3	35.5	0	0	0	114.7	N542	N542-N574 WeakPolarHBondContact CB-O 3.33Å; N542-N574 PolarHBondContact ND2-O 2.8Å; N542-N574 CarbonylContact O-C 3.53Å; N542-N574 PolarHBondContact O-N 3.32Å
575	P	82.8	Confident	84.4	Confident	59 Å²	59	46.1 Å²	46.1	38%	0.383	25%	0.251	S	S	.	.	S	Bend	cis	-84.5	171.5	-5.3	35.8	-35.4	0	0	0	111.8	V539 N540 G541 N542	V539-P575 HydrophobicContact CG1-CB 4.01Å; V539-P575 HydrophobicContact CG1-CG 3.75Å; N540-P575 WeakPolarHBondContact O-CG 3.42Å; G541-P575 CarbonylContact C-O 3.45Å; G541-P575 VanDerWaalsContact CA-O 3.31Å; G541-P575 WeakPolarHBondContact CA-O 3.24Å; N542-P575 PolarHBondContact N-O 2.74Å
576	P	80.6	Confident	84.2	Confident	25 Å²	25	48.1 Å²	48.1	16%	0.162	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-76.4	153.9	169.5	33.9	-36	0	0	0	111.5	T465 Q468 C572 N578	T465-P576 HydrophobicContact CG2-CB 3.79Å; T465-P576 HydrophobicContact CG2-CG 3.88Å; Q468-P576 HydrophobicContact CG-CB 4.46Å; Q468-P576 HydrophobicContact CG-CG 4.32Å; C572-P576 WeakPolarHBondContact O-CA 3.14Å; C572-P576 WeakPolarHBondContact O-CB 3.26Å; P576-N578 PolarHBondContact O-N 3.19Å
577	A	83.4	Confident	83.9	Confident	11 Å²	11	47.2 Å²	47.2	9%	0.091	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-70.6	119.9	178.1	0	0	0	0	0	111.6	T465 V539 K582 E583	T465-A577 WeakPolarHBondContact CB-O 3.13Å; T465-A577 WeakPolarHBondContact CG2-O 3.04Å; V539-A577 WeakPolarHBondContact O-CA 3.44Å; A577-K582 WeakPolarHBondContact CB-O 3.14Å; A577-E583 WeakPolarHBondContact CB-OE2 3.01Å
578	N	87.6	Confident	83.7	Confident	16 Å²	16	49.4 Å²	49.4	9%	0.086	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-138.1	160.5	-176.4	-152.8	-4.3	0	0	0	113.1	Q462 T465 V539 P576 G580 G581	Q462-N578 PolarHBondContact O-ND2 2.88Å; Q462-N578 VanDerWaalsContact O-ND2 3.13Å; T465-N578 HydrophobicContact CG2-CB 3.7Å; V539-N578 HydrophobicContact CB-CB 4.02Å; V539-N578 HydrophobicContact CG2-CB 4.34Å; V539-N578 PolarHBondContact N-O 3.18Å; V539-N578 PolarHBondContact O-N 3.48Å; P576-N578 PolarHBondContact O-N 3.19Å; N578-G580 PolarHBondContact O-N 2.63Å; N578-G580 VanDerWaalsContact O-N 3.07Å; N578-G581 PolarHBondContact O-N 2.82Å
579	N	86.7	Confident	83.6	Confident	10 Å²	10	51 Å²	51	5%	0.053	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	32.6	173	-64.4	-45.5	0	0	0	114.4	Q462 W521 P536 V537	Q462-N579 WeakPolarHBondContact CA-OD1 3.42Å; Q462-N579 PolarHBondContact O-ND2 3.21Å; W521-N579 HydrophobicContact CZ2-CB 4.4Å; W521-N579 PolarHBondContact NE1-OD1 3.33Å; P536-N579 HydrophobicContact CB-CB 4.19Å; V537-N579 VanDerWaalsContact O-CB 3.27Å; V537-N579 WeakPolarHBondContact O-CB 3.36Å; V537-N579 PolarHBondContact O-ND2 2.78Å
580	G	83.5	Confident	83.7	Confident	33 Å²	33	54.7 Å²	54.7	34%	0.34	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	15	-178.8	0	0	0	0	0	115.5	N578	N578-G580 PolarHBondContact O-N 2.63Å; N578-G580 VanDerWaalsContact O-N 3.07Å
581	G	88.7	Confident	83.9	Confident	15 Å²	15	54.4 Å²	54.4	16%	0.155	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.3	169.3	166.8	0	0	0	0	0	112.9	V539 N578	V539-G581 WeakPolarHBondContact O-CA 3.01Å; N578-G581 PolarHBondContact O-N 2.82Å
582	K	86.3	Confident	84.4	Confident	160 Å²	160	56.3 Å²	56.3	70%	0.696	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-70.3	142.5	-177.5	-62.8	177.7	-177.9	-178.4	0	112.2	N540 G541 A577	N540-K582 HydrophobicContact CB-CB 4.47Å; N540-K582 PolarHBondContact OD1-N 3.18Å; G541-K582 PolarHBondContact N-O 2.89Å; A577-K582 WeakPolarHBondContact CB-O 3.14Å
583	E	83.8	Confident	85	Confident	129 Å²	129	59.1 Å²	59.1	60%	0.603	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-72.3	159.9	170.4	-71.6	-58.1	156.7	0	0	113.3	A577	A577-E583 WeakPolarHBondContact CB-OE2 3.01Å
584	C	85.7	Confident	85.4	Confident	21 Å²	21	58.7 Å²	58.7	14%	0.142	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-69.2	134.3	175.8	-66.6	0	0	0	0	112.5	N542 W543 C572	N542-C584 WeakPolarHBondContact CA-SG 3.4Å; N542-C584 PolarHBondContact N-SG 3.3Å; W543-C584 HydrophobicContact CD2-CB 3.84Å; W543-C584 VanDerWaalsContact CE2-CB 3.44Å; W543-C584 HydrophobicContact CE3-CB 4.27Å; W543-C584 HydrophobicContact CG-CB 4.39Å; W543-C584 HydrophobicContact CH2-CB 3.97Å; W543-C584 HydrophobicContact CZ2-CB 3.51Å; W543-C584 HydrophobicContact CZ3-CB 4.33Å; C572-C584 WeakPolarHBondContact CA-SG 3.16Å; C572-C584 HydrophobicContact CB-CB 3.69Å; C572-C584 WeakPolarHBondContact CB-SG 3Å; C572-C584 WeakPolarHBondContact SG-CB 3.45Å; C572-C584 CovalentContact SG-SG 2.03Å; C572-C584 PolarHBondContact SG-SG 3.34Å
585	V	86.1	Confident	85.2	Confident	132 Å²	132	58 Å²	58	80%	0.8	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-90.4	128.3	-176.8	-178.4	0	0	0	0	111.9	W543	W543-V585 PolarHBondContact NE1-O 2.9Å
586	G	85.1	Confident	84.5	Confident	54 Å²	54	61.9 Å²	61.9	56%	0.557	36%	0.359	S	S	*	.	S	Bend	trans	106.9	-176.8	175.4	0	0	0	0	0	114.3	W543	W543-G586 WeakPolarHBondContact CZ2-O 3.34Å
587	S	83.5	Confident	84.1	Confident	68 Å²	68	63.8 Å²	63.8	48%	0.476	37%	0.371	S	S	.	.			trans	-74.9	143.1	-175.8	-50.6	0	0	0	0	113.4	R570 Y589	R570-S587 VanDerWaalsContact CZ-O 3.3Å; R570-S587 PolarHBondContact NE-O 3.43Å; R570-S587 PolarHBondContact NH2-O 3.18Å; S587-Y589 WeakPolarHBondContact CB-O 3.38Å
588	E	82.1	Confident	83.9	Confident	53 Å²	53	68.7 Å²	68.7	25%	0.248	40%	0.4	C	S	.	.	S	Bend	trans	-74.7	-36.6	169.1	-65.8	-175.3	111.8	0	0	112.5	W543 W546 Q569 R570	W543-E588 HydrophobicContact CH2-CB 4.48Å; W543-E588 HydrophobicContact CH2-CG 3.73Å; W543-E588 HydrophobicContact CZ3-CG 3.94Å; W546-E588 WeakPolarHBondContact CZ3-O 3.17Å; Q569-E588 CarbonylContact C-O 3.43Å; Q569-E588 WeakPolarHBondContact CA-O 3.41Å; R570-E588 PolarHBondContact N-O 3.27Å
589	Y	85.8	Confident	83.9	Confident	34 Å²	34	68 Å²	68	13%	0.133	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.9	-179.5	-63.5	-80.9	0	0	0	111.5	M550 Q569 S587 R667	M550-Y589 HydrophobicContact CE-CE1 4.31Å; Q569-Y589 HydrophobicContact CB-CD1 4.01Å; Q569-Y589 HydrophobicContact CB-CE1 4.03Å; Q569-Y589 HydrophobicContact CG-CD1 3.98Å; Q569-Y589 HydrophobicContact CG-CE1 3.74Å; Q569-Y589 PolarHBondContact NE2-OH 3.17Å; Q569-Y589 VanDerWaalsContact OE1-CE1 3.24Å; S587-Y589 WeakPolarHBondContact CB-O 3.38Å; Y589-R667 HydrophobicContact CD1-CG 4.13Å; Y589-R667 HydrophobicContact CD2-CG 4.47Å; Y589-R667 HydrophobicContact CE1-CG 4.04Å; Y589-R667 HydrophobicContact CE2-CG 4.4Å; Y589-R667 HydrophobicContact CG-CG 4.34Å
590	R	88.1	Confident	84	Confident	92 Å²	92	72.4 Å²	72.4	35%	0.347	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.4	161.3	70.9	-174.8	-165.4	-168.2	5.7	110	W546 E548 S568	W546-R590 HydrophobicContact CE3-CG 4.16Å; W546-R590 HydrophobicContact CH2-CB 4Å; W546-R590 HydrophobicContact CH2-CG 3.87Å; W546-R590 HydrophobicContact CZ3-CB 4.11Å; W546-R590 HydrophobicContact CZ3-CG 3.64Å; E548-R590 IonicContact OE1-CZ 2.79Å; E548-R590 IonicContact OE1-NH1 3.38Å; E548-R590 IonicContact OE1-NH2 3.18Å; E548-R590 PolarHBondContact OE1-NH2 3.18Å; E548-R590 IonicContact OE2-CZ 3.67Å; E548-R590 IonicContact OE2-NE 3.98Å; E548-R590 IonicContact OE2-NH2 2.63Å; E548-R590 PolarHBondContact OE2-NH2 3.02Å; S568-R590 PolarHBondContact N-O 2.87Å; S568-R590 PolarHBondContact O-N 2.97Å
591	A	88.5	Confident	84.2	Confident	39 Å²	39	73.1 Å²	73.1	32%	0.322	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135	175.1	0	0	0	0	0	109.9	V565 R566 L567 V666	V565-A591 HydrophobicContact CB-CB 4.16Å; V565-A591 HydrophobicContact CG1-CB 4.19Å; R566-A591 WeakPolarHBondContact O-CA 3.21Å; L567-A591 HydrophobicContact CD2-CB 4.18Å; A591-V666 HydrophobicContact CB-CG2 3.86Å
592	T	89.5	Confident	84.3	Confident	62 Å²	62	78.4 Å²	78.4	38%	0.38	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.1	170.3	-56.6	0	0	0	0	108.2	V565 R566	V565-T592 CarbonylContact C-O 3.45Å; V565-T592 VanDerWaalsContact CA-O 3.29Å; V565-T592 WeakPolarHBondContact CA-O 3.41Å; R566-T592 PolarHBondContact N-O 3.37Å; R566-T592 PolarHBondContact O-N 2.98Å
593	V	88.8	Confident	84.7	Confident	67 Å²	67	72.7 Å²	72.7	41%	0.406	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133	173.1	-178.3	0	0	0	0	108.9	L563 R564 V565	L563-V593 HydrophobicContact CD1-CG2 4.21Å; R564-V593 WeakPolarHBondContact O-CA 3.48Å; V565-V593 HydrophobicContact CG1-CG2 4.4Å
594	C	85.3	Confident	85.2	Confident	46 Å²	46	67.2 Å²	67.2	31%	0.311	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-33.6	-174.1	-75.3	0	0	0	0	114.5	C554 R564	C554-C594 HydrophobicContact CB-CB 3.64Å; C554-C594 WeakPolarHBondContact CB-SG 3.47Å; C554-C594 WeakPolarHBondContact SG-CB 3.37Å; C554-C594 CovalentContact SG-SG 2.02Å; C554-C594 PolarHBondContact SG-SG 3.36Å; R564-C594 PolarHBondContact O-N 3.14Å
595	N	77.6	Confident	85.5	Confident	93 Å²	93	69.7 Å²	69.7	50%	0.497	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	153	177	-160.4	-4.5	0	0	0	109.2	T597	N595-T597 HydrophobicContact CB-CG2 4.46Å; N595-T597 PolarHBondContact O-N 3.02Å; N595-T597 VanDerWaalsContact O-N 3.09Å
596	D	67.1	Low	86	Confident	139 Å²	139	68.6 Å²	68.6	74%	0.743	41%	0.405	S	S	*	.			trans	-80.8	17.3	-176.2	-55.7	-35.7	0	0	0	113.4	V598	D596-V598 PolarHBondContact O-N 3.12Å
597	T	73.8	Confident	86.5	Confident	66 Å²	66	67.8 Å²	67.8	41%	0.405	39%	0.386	S	S	.	.			trans	-67.3	104.4	176.4	53.3	0	0	0	0	110	N595 C599	N595-T597 HydrophobicContact CB-CG2 4.46Å; N595-T597 PolarHBondContact O-N 3.02Å; N595-T597 VanDerWaalsContact O-N 3.09Å; T597-C599 PolarHBondContact O-N 3.06Å; T597-C599 VanDerWaalsContact O-N 3.1Å
598	V	78.3	Confident	86.9	Confident	114 Å²	114	64.5 Å²	64.5	69%	0.691	36%	0.363	S	S	*	.			trans	-56.2	113.9	174	-176.1	0	0	0	0	109.3	R561 D596 S600	R561-V598 HydrophobicContact CG-CG1 4.14Å; D596-V598 PolarHBondContact O-N 3.12Å; V598-S600 PolarHBondContact O-N 2.9Å
599	C	87.9	Confident	87.6	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.007	37%	0.367	C	S	.	.			trans	-66.4	133.2	173.3	-72.5	0	0	0	0	110.5	C557 I559 D560 R561 Q562 T597	C557-C599 WeakPolarHBondContact CA-SG 3.21Å; C557-C599 HydrophobicContact CB-CB 3.53Å; C557-C599 WeakPolarHBondContact CB-SG 3.49Å; C557-C599 VanDerWaalsContact SG-CA 3.51Å; C557-C599 WeakPolarHBondContact SG-CB 3.35Å; C557-C599 CovalentContact SG-SG 2.04Å; C557-C599 PolarHBondContact SG-SG 2.9Å; I559-C599 WeakPolarHBondContact O-CB 3.29Å; D560-C599 CarbonylContact C-O 3.54Å; R561-C599 PolarHBondContact N-O 3.49Å; Q562-C599 HydrophobicContact CB-CB 3.88Å; Q562-C599 VanDerWaalsContact O-CB 3.26Å; Q562-C599 WeakPolarHBondContact O-CB 3.27Å; Q562-C599 PolarHBondContact O-SG 3.35Å; T597-C599 PolarHBondContact O-N 3.06Å; T597-C599 VanDerWaalsContact O-N 3.1Å
600	S	87.8	Confident	88	Confident	102 Å²	102	64.5 Å²	64.5	71%	0.713	37%	0.374	S	S	*	.			trans	-102	154.3	160.6	55.1	0	0	0	0	109.8	V598	V598-S600 PolarHBondContact O-N 2.9Å
601	G	89.1	Confident	88.1	Confident	49 Å²	49	61.4 Å²	61.4	51%	0.505	37%	0.365	S	S	.	.	S	Bend	trans	168.9	-155.8	-174.8	0	0	0	0	0	110.9
602	Y	90.5	Very high	88.2	Confident	126 Å²	126	59.6 Å²	59.6	49%	0.494	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-66.4	152.5	171.1	-64.6	-79.4	0	0	0	111	K558 I559 D560 E606 F607	K558-Y602 PolarHBondContact O-N 3.11Å; I559-Y602 CarbonylContact C-O 3.59Å; I559-Y602 WeakPolarHBondContact CA-O 3.47Å; I559-Y602 WeakPolarHBondContact CG2-O 3.42Å; D560-Y602 PolarHBondContact N-O 3.06Å; Y602-E606 HydrophobicContact CD1-CB 3.92Å; Y602-E606 HydrophobicContact CG-CB 4.42Å; Y602-F607 HydrophobicContact CD2-CD2 4.22Å
603	S	94.2	Very high	88.3	Confident	40 Å²	40	58.7 Å²	58.7	28%	0.28	35%	0.349	S	S	.	.			trans	-63.7	160.5	156.8	64.5	0	0	0	0	110.7	D605 E606 F607	S603-D605 VanDerWaalsContact C-N 3.29Å; S603-D605 PolarHBondContact O-N 2.86Å; S603-E606 VanDerWaalsContact CB-OE2 3.26Å; S603-E606 WeakPolarHBondContact CB-OE2 3.33Å; S603-E606 PolarHBondContact N-OE2 3.38Å; S603-E606 PolarHBondContact O-N 2.88Å; S603-E606 WeakPolarHBondContact OG-CB 3.43Å; S603-E606 VanDerWaalsContact OG-CD 3.26Å; S603-E606 VanDerWaalsContact OG-CG 3.23Å; S603-E606 WeakPolarHBondContact OG-CG 3.38Å; S603-E606 PolarHBondContact OG-N 3.4Å; S603-E606 PolarHBondContact OG-OE2 2.76Å; S603-F607 PolarHBondContact O-N 3.05Å
604	P	93.6	Very high	88.3	Confident	13 Å²	13	62.7 Å²	62.7	8%	0.084	36%	0.361	C	S	.	.	H	α-helix	trans	-55.2	-39.9	178.1	-27.5	35.8	0	0	0	114	I559 F607 A608 Q629 F653	I559-P604 HydrophobicContact CG2-CG 3.96Å; P604-F607 PolarHBondContact O-N 3.1Å; P604-A608 WeakPolarHBondContact O-CB 3.37Å; P604-A608 PolarHBondContact O-N 2.93Å; P604-Q629 HydrophobicContact CB-CB 3.83Å; P604-Q629 VanDerWaalsContact CB-CD 3.45Å; P604-Q629 HydrophobicContact CB-CG 4.12Å; P604-Q629 VanDerWaalsContact CB-OE1 3.3Å; P604-F653 HydrophobicContact CB-CE1 4.07Å; P604-F653 HydrophobicContact CB-CZ 4.13Å; P604-F653 VanDerWaalsContact O-CE1 3.23Å; P604-F653 WeakPolarHBondContact O-CE1 3.39Å; P604-F653 WeakPolarHBondContact O-CZ 3.4Å
605	D	93.7	Very high	88.1	Confident	74 Å²	74	66.1 Å²	66.1	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-72.4	-37.5	179.7	-62.3	-64.2	0	0	0	113	S603 A608 T609 L628 Q629	S603-D605 VanDerWaalsContact C-N 3.29Å; S603-D605 PolarHBondContact O-N 2.86Å; D605-A608 PolarHBondContact O-N 2.93Å; D605-T609 WeakPolarHBondContact O-CB 3.27Å; D605-T609 PolarHBondContact O-N 3.49Å; D605-T609 PolarHBondContact O-OG1 3.46Å; D605-L628 VanDerWaalsContact OD1-CA 3.27Å; D605-L628 WeakPolarHBondContact OD1-CA 3.48Å; D605-Q629 PolarHBondContact OD1-N 3.31Å
606	E	95.4	Very high	88.3	Confident	108 Å²	108	64.1 Å²	64.1	51%	0.505	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-40.9	171.7	-71	167.7	123.4	0	0	111.4	Y602 S603 A608 T609 A610	Y602-E606 HydrophobicContact CD1-CB 3.92Å; Y602-E606 HydrophobicContact CG-CB 4.42Å; S603-E606 VanDerWaalsContact CB-OE2 3.26Å; S603-E606 WeakPolarHBondContact CB-OE2 3.33Å; S603-E606 PolarHBondContact N-OE2 3.38Å; S603-E606 PolarHBondContact O-N 2.88Å; S603-E606 WeakPolarHBondContact OG-CB 3.43Å; S603-E606 VanDerWaalsContact OG-CD 3.26Å; S603-E606 VanDerWaalsContact OG-CG 3.23Å; S603-E606 WeakPolarHBondContact OG-CG 3.38Å; S603-E606 PolarHBondContact OG-N 3.4Å; S603-E606 PolarHBondContact OG-OE2 2.76Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-T609 PolarHBondContact O-N 3.3Å; E606-A610 VanDerWaalsContact O-CB 3.24Å; E606-A610 WeakPolarHBondContact O-CB 3.19Å; E606-A610 PolarHBondContact O-N 2.95Å
607	F	95.1	Very high	89	Confident	37 Å²	37	61.8 Å²	61.8	16%	0.162	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-40.5	175.7	-173.3	-89.4	0	0	0	111.7	K558 I559 Y602 S603 P604 T611 I637 F653 P654	K558-F607 HydrophobicContact CB-CD2 4.44Å; K558-F607 HydrophobicContact CB-CE2 3.94Å; K558-F607 HydrophobicContact CD-CE2 4.34Å; I559-F607 HydrophobicContact CD1-CB 3.91Å; I559-F607 HydrophobicContact CD1-CD1 3.87Å; I559-F607 HydrophobicContact CD1-CD2 4.17Å; I559-F607 HydrophobicContact CD1-CE1 4.47Å; I559-F607 HydrophobicContact CD1-CG 3.7Å; I559-F607 HydrophobicContact CG1-CB 3.96Å; I559-F607 HydrophobicContact CG1-CD1 4.48Å; I559-F607 HydrophobicContact CG1-CD2 3.9Å; I559-F607 HydrophobicContact CG1-CG 3.85Å; Y602-F607 HydrophobicContact CD2-CD2 4.22Å; S603-F607 PolarHBondContact O-N 3.05Å; P604-F607 PolarHBondContact O-N 3.1Å; F607-T611 WeakPolarHBondContact O-CB 3.42Å; F607-T611 PolarHBondContact O-N 2.87Å; F607-T611 VanDerWaalsContact O-N 3.1Å; F607-T611 PolarHBondContact O-OG1 2.9Å; F607-I637 HydrophobicContact CD1-CD1 4.09Å; F607-I637 HydrophobicContact CE1-CD1 3.81Å; F607-F653 HydrophobicContact CB-CE1 4.41Å; F607-F653 AromaticContact CD1-CD1 3.95Å; F607-F653 HydrophobicContact CD1-CD1 3.95Å; F607-F653 AromaticContact CD1-CE1 3.92Å; F607-F653 HydrophobicContact CD1-CE1 3.92Å; F607-P654 HydrophobicContact CE1-CG 4.15Å; F607-P654 HydrophobicContact CZ-CG 3.94Å
608	A	93.7	Very high	89	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-52.5	173.5	0	0	0	0	0	111.1	P604 D605 E606 A610 T611 C612 I637 F653	P604-A608 WeakPolarHBondContact O-CB 3.37Å; P604-A608 PolarHBondContact O-N 2.93Å; D605-A608 PolarHBondContact O-N 2.93Å; E606-A608 VanDerWaalsContact C-N 3.35Å; A608-A610 PolarHBondContact O-N 2.87Å; A608-T611 WeakPolarHBondContact O-CA 3.43Å; A608-T611 WeakPolarHBondContact O-CB 3.45Å; A608-T611 PolarHBondContact O-N 3.09Å; A608-C612 PolarHBondContact O-N 2.68Å; A608-C612 PolarHBondContact O-SG 3.29Å; A608-I637 HydrophobicContact CB-CG2 3.88Å; A608-F653 HydrophobicContact CB-CE1 4.49Å; A608-F653 HydrophobicContact CB-CZ 4.05Å
609	T	95.7	Very high	88.9	Confident	52 Å²	52	62.2 Å²	62.2	32%	0.319	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-45.5	177.6	-72.1	0	0	0	0	112.4	D605 E606 T611 C612 A613 G627	D605-T609 WeakPolarHBondContact O-CB 3.27Å; D605-T609 PolarHBondContact O-N 3.49Å; D605-T609 PolarHBondContact O-OG1 3.46Å; E606-T609 PolarHBondContact O-N 3.3Å; T609-T611 PolarHBondContact O-N 3.16Å; T609-C612 PolarHBondContact O-N 2.76Å; T609-A613 WeakPolarHBondContact O-CB 3.36Å; T609-A613 PolarHBondContact O-N 3.29Å; T609-G627 PolarHBondContact OG1-N 3.44Å; T609-G627 PolarHBondContact OG1-O 3.24Å
610	A	93.9	Very high	88.3	Confident	34 Å²	34	70.3 Å²	70.3	28%	0.281	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-21.4	176.4	0	0	0	0	0	113.5	E606 A608 K614	E606-A610 VanDerWaalsContact O-CB 3.24Å; E606-A610 WeakPolarHBondContact O-CB 3.19Å; E606-A610 PolarHBondContact O-N 2.95Å; A608-A610 PolarHBondContact O-N 2.87Å; A610-K614 WeakPolarHBondContact O-CE 3.29Å
611	T	91.4	Very high	87.7	Confident	28 Å²	28	71.5 Å²	71.5	17%	0.172	38%	0.375	C	S	.	.	H	α-helix	trans	-83.5	-46.3	172	-54.9	0	0	0	0	110.8	F607 A608 T609 A613 K614 W615 I650	F607-T611 WeakPolarHBondContact O-CB 3.42Å; F607-T611 PolarHBondContact O-N 2.87Å; F607-T611 VanDerWaalsContact O-N 3.1Å; F607-T611 PolarHBondContact O-OG1 2.9Å; A608-T611 WeakPolarHBondContact O-CA 3.43Å; A608-T611 WeakPolarHBondContact O-CB 3.45Å; A608-T611 PolarHBondContact O-N 3.09Å; T609-T611 PolarHBondContact O-N 3.16Å; T611-A613 PolarHBondContact O-N 2.99Å; T611-K614 WeakPolarHBondContact O-CB 3.49Å; T611-K614 PolarHBondContact O-N 3.12Å; T611-K614 VanDerWaalsContact O-N 3.14Å; T611-W615 PolarHBondContact O-N 3.09Å; T611-I650 HydrophobicContact CG2-CD1 3.65Å
612	C	90.4	Very high	86.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-38.3	179.2	-63.5	0	0	0	0	113.2	A608 T609 K614 W615 Q616 G625 G627 C639	A608-C612 PolarHBondContact O-N 2.68Å; A608-C612 PolarHBondContact O-SG 3.29Å; T609-C612 PolarHBondContact O-N 2.76Å; C612-K614 PolarHBondContact O-N 3.03Å; C612-W615 PolarHBondContact O-N 2.83Å; C612-Q616 PolarHBondContact O-N 2.97Å; C612-G625 CarbonylContact C-O 3.52Å; C612-G625 VanDerWaalsContact CB-O 3.29Å; C612-G625 WeakPolarHBondContact CB-O 3.48Å; C612-G627 VanDerWaalsContact SG-CA 3.58Å; C612-C639 VanDerWaalsContact CA-SG 3.5Å; C612-C639 HydrophobicContact CB-CB 3.74Å; C612-C639 WeakPolarHBondContact CB-SG 3.19Å; C612-C639 WeakPolarHBondContact SG-CA 3.49Å; C612-C639 WeakPolarHBondContact SG-CB 3.4Å; C612-C639 CovalentContact SG-SG 2.02Å; C612-C639 PolarHBondContact SG-SG 3.43Å
613	A	92.1	Very high	86.3	Confident	43 Å²	43	67.9 Å²	67.9	36%	0.355	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-28.9	175	0	0	0	0	0	113.3	T609 T611 G625	T609-A613 WeakPolarHBondContact O-CB 3.36Å; T609-A613 PolarHBondContact O-N 3.29Å; T611-A613 PolarHBondContact O-N 2.99Å; A613-G625 PolarHBondContact N-O 3.33Å
614	K	88.5	Confident	85.9	Confident	151 Å²	151	67.4 Å²	67.4	66%	0.657	35%	0.349	S	S	*	.	H	α-helix	trans	-73.8	-45	174.2	-64.5	169.7	-174.7	170.4	0	111.2	A610 T611 C612 Q616 V617	A610-K614 WeakPolarHBondContact O-CE 3.29Å; T611-K614 WeakPolarHBondContact O-CB 3.49Å; T611-K614 PolarHBondContact O-N 3.12Å; T611-K614 VanDerWaalsContact O-N 3.14Å; C612-K614 PolarHBondContact O-N 3.03Å; K614-Q616 VanDerWaalsContact C-N 3.27Å; K614-Q616 PolarHBondContact O-N 3.44Å; K614-V617 WeakPolarHBondContact O-CB 3.29Å; K614-V617 PolarHBondContact O-N 2.84Å; K614-V617 VanDerWaalsContact O-N 3.11Å
615	W	80.7	Confident	85.6	Confident	119 Å²	119	67.2 Å²	67.2	45%	0.451	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-32.2	176.4	-80.2	86.4	0	0	0	112.8	T611 C612 V617 T618 F619 L623 I650	T611-W615 PolarHBondContact O-N 3.09Å; C612-W615 PolarHBondContact O-N 2.83Å; W615-V617 PolarHBondContact O-N 2.62Å; W615-T618 PolarHBondContact O-N 3.15Å; W615-F619 AromaticContact CE3-CD2 3.91Å; W615-F619 HydrophobicContact CE3-CD2 3.91Å; W615-F619 AromaticContact CE3-CE2 3.61Å; W615-F619 HydrophobicContact CE3-CE2 3.61Å; W615-F619 HydrophobicContact CZ3-CD2 4.49Å; W615-F619 AromaticContact CZ3-CE2 3.75Å; W615-F619 HydrophobicContact CZ3-CE2 3.75Å; W615-F619 WeakPolarHBondContact O-CD2 3.18Å; W615-F619 PolarHBondContact O-N 2.84Å; W615-L623 HydrophobicContact CB-CD1 3.74Å; W615-I650 HydrophobicContact CG-CD1 4.26Å
616	Q	81.6	Confident	85.5	Confident	51 Å²	51	67.4 Å²	67.4	24%	0.238	35%	0.352	C	S	.	.	H	α-helix	trans	-56.9	-31.2	172.3	180	-172.3	-0.8	0	0	113.1	C612 K614 T618 F619 R620 L623 S624	C612-Q616 PolarHBondContact O-N 2.97Å; K614-Q616 VanDerWaalsContact C-N 3.27Å; K614-Q616 PolarHBondContact O-N 3.44Å; Q616-T618 PolarHBondContact O-N 2.82Å; Q616-F619 CarbonylContact O-C 3.5Å; Q616-F619 PolarHBondContact O-N 3.01Å; Q616-R620 WeakPolarHBondContact O-CA 3.37Å; Q616-R620 WeakPolarHBondContact O-CG 3.39Å; Q616-R620 PolarHBondContact O-N 3.01Å; Q616-L623 HydrophobicContact CB-CB 4.38Å; Q616-S624 PolarHBondContact NE2-O 2.82Å; Q616-S624 PolarHBondContact OE1-O 2.83Å
617	V	81	Confident	85.4	Confident	89 Å²	89	62.4 Å²	62.4	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-36.4	-179.8	-177	0	0	0	0	111.4	K614 W615 R620	K614-V617 WeakPolarHBondContact O-CB 3.29Å; K614-V617 PolarHBondContact O-N 2.84Å; K614-V617 VanDerWaalsContact O-N 3.11Å; W615-V617 PolarHBondContact O-N 2.62Å; V617-R620 WeakPolarHBondContact O-CG 3.43Å; V617-R620 PolarHBondContact O-NE 3.04Å; V617-R620 VanDerWaalsContact O-NE 3.11Å
618	T	74.5	Confident	85.3	Confident	105 Å²	105	62.8 Å²	62.8	64%	0.644	33%	0.334	S	S	*	.	H	α-helix	trans	-80.9	-44.3	175.2	-48.9	0	0	0	0	111.6	W615 Q616	W615-T618 PolarHBondContact O-N 3.15Å; Q616-T618 PolarHBondContact O-N 2.82Å
619	F	76.4	Confident	85.3	Confident	84 Å²	84	63.6 Å²	63.6	37%	0.368	34%	0.337	S	S	.	.	S	Bend	trans	-108.3	48.5	-172.5	-60.7	-79.4	0	0	0	112.8	W615 Q616 T621 I622 L623	W615-F619 AromaticContact CE3-CD2 3.91Å; W615-F619 HydrophobicContact CE3-CD2 3.91Å; W615-F619 AromaticContact CE3-CE2 3.61Å; W615-F619 HydrophobicContact CE3-CE2 3.61Å; W615-F619 HydrophobicContact CZ3-CD2 4.49Å; W615-F619 AromaticContact CZ3-CE2 3.75Å; W615-F619 HydrophobicContact CZ3-CE2 3.75Å; W615-F619 WeakPolarHBondContact O-CD2 3.18Å; W615-F619 PolarHBondContact O-N 2.84Å; Q616-F619 CarbonylContact O-C 3.5Å; Q616-F619 PolarHBondContact O-N 3.01Å; F619-T621 PolarHBondContact O-N 2.76Å; F619-T621 VanDerWaalsContact O-N 3.12Å; F619-I622 HydrophobicContact CB-CB 4.47Å; F619-I622 HydrophobicContact CD1-CD1 4.48Å; F619-I622 PolarHBondContact O-N 3.22Å; F619-L623 HydrophobicContact CB-CD1 4.04Å; F619-L623 HydrophobicContact CB-CG 4.07Å; F619-L623 HydrophobicContact CD2-CD1 4.48Å; F619-L623 PolarHBondContact O-N 3.27Å
620	R	74.1	Confident	84.9	Confident	172 Å²	172	64.3 Å²	64.3	65%	0.649	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.4	-169.5	-63.6	-177.4	-177.6	-155.1	-1.1	115.1	Q616 V617 R642	Q616-R620 WeakPolarHBondContact O-CA 3.37Å; Q616-R620 WeakPolarHBondContact O-CG 3.39Å; Q616-R620 PolarHBondContact O-N 3.01Å; V617-R620 WeakPolarHBondContact O-CG 3.43Å; V617-R620 PolarHBondContact O-NE 3.04Å; V617-R620 VanDerWaalsContact O-NE 3.11Å; R620-R642 PolarHBondContact O-NE 3.09Å; R620-R642 VanDerWaalsContact O-NE 3.15Å
621	T	75.6	Confident	84.4	Confident	126 Å²	126	66.6 Å²	66.6	77%	0.773	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.6	-180	45.1	0	0	0	0	113.4	F619	F619-T621 PolarHBondContact O-N 2.76Å; F619-T621 VanDerWaalsContact O-N 3.12Å
622	I	72.1	Confident	83.9	Confident	86 Å²	86	70.5 Å²	70.5	44%	0.441	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-47.1	-170.3	-56.6	174.4	0	0	0	111.6	F619 V641 R642	F619-I622 HydrophobicContact CB-CB 4.47Å; F619-I622 HydrophobicContact CD1-CD1 4.48Å; F619-I622 PolarHBondContact O-N 3.22Å; I622-V641 HydrophobicContact CG2-CG1 4.49Å; I622-V641 CarbonylContact O-C 3.57Å; I622-V641 WeakPolarHBondContact O-CA 3.23Å; I622-R642 PolarHBondContact O-N 2.86Å
623	L	78.4	Confident	83.6	Confident	13 Å²	13	75.2 Å²	75.2	7%	0.068	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.8	-172.4	-63.6	-179.9	0	0	0	112.4	W615 Q616 F619 C639 R642	W615-L623 HydrophobicContact CB-CD1 3.74Å; Q616-L623 HydrophobicContact CB-CB 4.38Å; F619-L623 HydrophobicContact CB-CD1 4.04Å; F619-L623 HydrophobicContact CB-CG 4.07Å; F619-L623 HydrophobicContact CD2-CD1 4.48Å; F619-L623 PolarHBondContact O-N 3.27Å; L623-C639 HydrophobicContact CD2-CB 4.4Å; L623-R642 WeakPolarHBondContact O-CD 3.4Å; L623-R642 WeakPolarHBondContact O-CG 3.49Å; L623-R642 PolarHBondContact O-NE 2.92Å
624	S	85.5	Confident	83.5	Confident	31 Å²	31	73.3 Å²	73.3	22%	0.217	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-37.4	178.8	62.7	0	0	0	0	112.8	Q616 V626 H640	Q616-S624 PolarHBondContact NE2-O 2.82Å; Q616-S624 PolarHBondContact OE1-O 2.83Å; S624-V626 PolarHBondContact OG-N 2.81Å; S624-V626 VanDerWaalsContact OG-N 3.11Å; S624-H640 WeakPolarHBondContact CB-O 3.4Å; S624-H640 PolarHBondContact N-O 3.49Å; S624-H640 VanDerWaalsContact OG-CB 3.31Å; S624-H640 WeakPolarHBondContact OG-CB 3.45Å; S624-H640 PolarHBondContact OG-O 3.12Å
625	G	88.2	Confident	83.7	Confident	8 Å²	8	66.2 Å²	66.2	8%	0.082	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.3	-19.4	-168.4	0	0	0	0	0	113.9	C612 A613	C612-G625 CarbonylContact C-O 3.52Å; C612-G625 VanDerWaalsContact CB-O 3.29Å; C612-G625 WeakPolarHBondContact CB-O 3.48Å; A613-G625 PolarHBondContact N-O 3.33Å
626	V	92.3	Very high	84.1	Confident	78 Å²	78	63.6 Å²	63.6	47%	0.473	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.8	-177.9	-173.6	0	0	0	0	110.8	S624 C639 H640	S624-V626 PolarHBondContact OG-N 2.81Å; S624-V626 VanDerWaalsContact OG-N 3.11Å; V626-C639 WeakPolarHBondContact O-CA 3.18Å; V626-H640 PolarHBondContact O-N 2.89Å
627	G	92.3	Very high	84.4	Confident	4 Å²	4	61.4 Å²	61.4	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	165.2	176.4	0	0	0	0	0	114.6	T609 C612 W638	T609-G627 PolarHBondContact OG1-N 3.44Å; T609-G627 PolarHBondContact OG1-O 3.24Å; C612-G627 VanDerWaalsContact SG-CA 3.58Å; G627-W638 CarbonylContact C-O 3.57Å; G627-W638 WeakPolarHBondContact CA-O 3.4Å
628	L	92.9	Very high	84.8	Confident	45 Å²	45	59.9 Å²	59.9	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.1	-169.5	66.2	94.1	0	0	0	114.5	D605 H630 W638 H640	D605-L628 VanDerWaalsContact OD1-CA 3.27Å; D605-L628 WeakPolarHBondContact OD1-CA 3.48Å; L628-H630 HydrophobicContact CD1-CB 4.32Å; L628-W638 HydrophobicContact CD1-CB 4.2Å; L628-W638 HydrophobicContact CG-CB 4.15Å; L628-W638 PolarHBondContact N-O 3.05Å; L628-W638 PolarHBondContact O-N 2.86Å; L628-H640 WeakPolarHBondContact CD2-NE2 3.41Å
629	Q	93.4	Very high	85.3	Confident	17 Å²	17	55 Å²	55	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.2	167	-171.8	-177.1	44.8	0	0	110.8	P604 D605 S634 F653 P658 N660	P604-Q629 HydrophobicContact CB-CB 3.83Å; P604-Q629 VanDerWaalsContact CB-CD 3.45Å; P604-Q629 HydrophobicContact CB-CG 4.12Å; P604-Q629 VanDerWaalsContact CB-OE1 3.3Å; D605-Q629 PolarHBondContact OD1-N 3.31Å; Q629-S634 WeakPolarHBondContact CG-O 3.37Å; Q629-S634 PolarHBondContact NE2-O 3.44Å; Q629-F653 HydrophobicContact CB-CE2 3.87Å; Q629-F653 HydrophobicContact CB-CZ 3.82Å; Q629-F653 HydrophobicContact CG-CD2 4.45Å; Q629-F653 HydrophobicContact CG-CE2 3.71Å; Q629-F653 HydrophobicContact CG-CZ 4.07Å; Q629-P658 PolarHBondContact NE2-O 3.3Å; Q629-P658 VanDerWaalsContact NE2-O 3.09Å; Q629-N660 PolarHBondContact OE1-ND2 3.39Å
630	H	88.5	Confident	85.8	Confident	67 Å²	67	53.6 Å²	53.6	31%	0.31	28%	0.28	S	S	.	.			trans	-72.6	140.8	-177	-167.3	-106.5	0	0	0	112.5	L628 V632 H633 S634	L628-H630 HydrophobicContact CD1-CB 4.32Å; H630-V632 PolarHBondContact ND1-N 2.94Å; H630-V632 PolarHBondContact O-N 2.93Å; H630-H633 HydrophobicContact CB-CB 4.08Å; H630-H633 AromaticContact ND1-CG 4Å; H630-H633 PolarHBondContact ND1-N 3.12Å; H630-H633 CarbonylContact O-C 3.42Å; H630-H633 PolarHBondContact O-N 3.21Å; H630-S634 WeakPolarHBondContact O-CA 3.41Å; H630-S634 WeakPolarHBondContact O-CB 3Å; H630-S634 PolarHBondContact O-N 3.2Å; H630-S634 VanDerWaalsContact O-N 3.09Å; H630-S634 PolarHBondContact O-OG 2.82Å
631	S	83.6	Confident	86	Confident	82 Å²	82	46.8 Å²	46.8	57%	0.573	26%	0.258	S	S	*	.	S	Bend	trans	-59.3	-44.1	-178.7	55.1	0	0	0	0	113.3	S634	S631-S634 PolarHBondContact O-OG 2.83Å
632	V	79.3	Confident	86.1	Confident	110 Å²	110	45.8 Å²	45.8	67%	0.667	24%	0.24	S	C	*	.	S	Bend	trans	-91.8	-16.8	-179.7	-174.7	0	0	0	0	112.7	H630	H630-V632 PolarHBondContact ND1-N 2.94Å; H630-V632 PolarHBondContact O-N 2.93Å
633	H	84.5	Confident	86.4	Confident	98 Å²	98	50 Å²	50	45%	0.454	26%	0.264	S	S	.	.			trans	-131.9	49.4	-172.6	-66.6	-25	0	0	0	111.3	H630 C635 K636 W638	H630-H633 HydrophobicContact CB-CB 4.08Å; H630-H633 AromaticContact ND1-CG 4Å; H630-H633 PolarHBondContact ND1-N 3.12Å; H630-H633 CarbonylContact O-C 3.42Å; H630-H633 PolarHBondContact O-N 3.21Å; H633-C635 PolarHBondContact O-N 3.24Å; H633-K636 PolarHBondContact O-N 2.94Å; H633-W638 HydrophobicContact CB-CZ2 4.44Å
634	S	90.8	Very high	86.3	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-9.2	-166.7	-44.3	0	0	0	0	115.5	Q629 H630 S631 F653 N660	Q629-S634 WeakPolarHBondContact CG-O 3.37Å; Q629-S634 PolarHBondContact NE2-O 3.44Å; H630-S634 WeakPolarHBondContact O-CA 3.41Å; H630-S634 WeakPolarHBondContact O-CB 3Å; H630-S634 PolarHBondContact O-N 3.2Å; H630-S634 VanDerWaalsContact O-N 3.09Å; H630-S634 PolarHBondContact O-OG 2.82Å; S631-S634 PolarHBondContact O-OG 2.83Å; S634-F653 WeakPolarHBondContact O-CD2 3.36Å; S634-N660 PolarHBondContact OG-N 2.61Å
635	C	92.2	Very high	85.9	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.014	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.1	175.3	-57.2	0	0	0	0	114.5	H633 N652 F653 C659 C665 G668 C670	H633-C635 PolarHBondContact O-N 3.24Å; C635-N652 CarbonylContact O-C 3.37Å; C635-N652 WeakPolarHBondContact O-CA 3.24Å; C635-N652 PolarHBondContact O-OD1 2.84Å; C635-F653 PolarHBondContact O-N 2.94Å; C635-C659 PolarHBondContact SG-SG 3.38Å; C635-C665 WeakPolarHBondContact CA-SG 3.23Å; C635-C665 HydrophobicContact CB-CB 3.83Å; C635-C665 WeakPolarHBondContact CB-SG 3.17Å; C635-C665 WeakPolarHBondContact SG-CA 3.28Å; C635-C665 WeakPolarHBondContact SG-CB 3.34Å; C635-C665 CovalentContact SG-SG 2.04Å; C635-C665 PolarHBondContact SG-SG 3.43Å; C635-G668 VanDerWaalsContact CB-C 3.45Å; C635-G668 WeakPolarHBondContact CB-O 3.21Å; C635-C670 VanDerWaalsContact SG-SG 3.65Å
636	K	88.2	Confident	85.1	Confident	64 Å²	64	65.5 Å²	65.5	28%	0.278	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139	173.3	-67.9	-175.4	177	-177.2	0	111.4	H633 W638 A649 G651 F653	H633-K636 PolarHBondContact O-N 2.94Å; K636-W638 PolarHBondContact O-NE1 3.17Å; K636-A649 HydrophobicContact CD-CB 4.5Å; K636-G651 WeakPolarHBondContact CA-O 3.34Å; K636-F653 VanDerWaalsContact O-CE2 3.27Å; K636-F653 WeakPolarHBondContact O-CE2 3.23Å
637	I	89.4	Confident	84.4	Confident	6 Å²	6	63 Å²	63	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.8	175.5	-61.9	171.5	0	0	0	108.9	F607 A608 A649 I650 G651 N652 F653	F607-I637 HydrophobicContact CD1-CD1 4.09Å; F607-I637 HydrophobicContact CE1-CD1 3.81Å; A608-I637 HydrophobicContact CB-CG2 3.88Å; I637-A649 CarbonylContact O-C 3.53Å; I637-A649 VanDerWaalsContact O-CA 3.27Å; I637-A649 WeakPolarHBondContact O-CA 3.23Å; I637-I650 HydrophobicContact CB-CG1 4.19Å; I637-I650 HydrophobicContact CG2-CD1 4.01Å; I637-I650 HydrophobicContact CG2-CG1 3.82Å; I637-I650 PolarHBondContact O-N 3.41Å; I637-G651 PolarHBondContact N-O 3.28Å; I637-N652 WeakPolarHBondContact CD1-O 3.15Å; I637-F653 HydrophobicContact CD1-CD1 4.35Å; I637-F653 HydrophobicContact CG1-CD1 3.92Å; I637-F653 HydrophobicContact CG1-CD2 3.85Å; I637-F653 HydrophobicContact CG1-CE1 3.94Å; I637-F653 HydrophobicContact CG1-CE2 3.85Å; I637-F653 HydrophobicContact CG1-CG 3.9Å; I637-F653 HydrophobicContact CG1-CZ 3.92Å
638	W	87.8	Confident	83.5	Confident	57 Å²	57	68.3 Å²	68.3	22%	0.216	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.2	179.5	-60.5	77.3	0	0	0	111.2	G627 L628 H633 K636 A647 H648 A649	G627-W638 CarbonylContact C-O 3.57Å; G627-W638 WeakPolarHBondContact CA-O 3.4Å; L628-W638 HydrophobicContact CD1-CB 4.2Å; L628-W638 HydrophobicContact CG-CB 4.15Å; L628-W638 PolarHBondContact N-O 3.05Å; L628-W638 PolarHBondContact O-N 2.86Å; H633-W638 HydrophobicContact CB-CZ2 4.44Å; K636-W638 PolarHBondContact O-NE1 3.17Å; W638-A647 HydrophobicContact CB-CB 4.23Å; W638-H648 CarbonylContact C-O 3.42Å; W638-H648 WeakPolarHBondContact CA-O 3.42Å; W638-A649 HydrophobicContact CD2-CB 3.9Å; W638-A649 HydrophobicContact CE3-CB 3.97Å; W638-A649 HydrophobicContact CH2-CB 4.17Å; W638-A649 HydrophobicContact CZ2-CB 4.1Å; W638-A649 HydrophobicContact CZ3-CB 4.1Å
639	C	86.1	Confident	82.7	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.7	178.4	-57.4	0	0	0	0	111.9	C612 L623 V626 A647 H648 I650	C612-C639 VanDerWaalsContact CA-SG 3.5Å; C612-C639 HydrophobicContact CB-CB 3.74Å; C612-C639 WeakPolarHBondContact CB-SG 3.19Å; C612-C639 WeakPolarHBondContact SG-CA 3.49Å; C612-C639 WeakPolarHBondContact SG-CB 3.4Å; C612-C639 CovalentContact SG-SG 2.02Å; C612-C639 PolarHBondContact SG-SG 3.43Å; L623-C639 HydrophobicContact CD2-CB 4.4Å; V626-C639 WeakPolarHBondContact O-CA 3.18Å; C639-A647 CarbonylContact O-C 3.56Å; C639-A647 WeakPolarHBondContact O-CA 3.41Å; C639-A647 WeakPolarHBondContact O-CB 3.41Å; C639-H648 PolarHBondContact N-O 3.14Å; C639-H648 PolarHBondContact O-N 3.03Å; C639-I650 HydrophobicContact CB-CG2 4.36Å; C639-I650 WeakPolarHBondContact SG-CD1 3.48Å
640	H	87.2	Confident	81.9	Confident	56 Å²	56	70 Å²	70	26%	0.259	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.7	178.2	-80	-81.6	0	0	0	112.8	S624 V626 L628	S624-H640 WeakPolarHBondContact CB-O 3.4Å; S624-H640 PolarHBondContact N-O 3.49Å; S624-H640 VanDerWaalsContact OG-CB 3.31Å; S624-H640 WeakPolarHBondContact OG-CB 3.45Å; S624-H640 PolarHBondContact OG-O 3.12Å; V626-H640 PolarHBondContact O-N 2.89Å; L628-H640 WeakPolarHBondContact CD2-NE2 3.41Å
641	V	77.6	Confident	81.5	Confident	29 Å²	29	68.2 Å²	68.2	18%	0.176	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	151.4	170.9	-179.5	0	0	0	0	109.8	I622 Y646 H648	I622-V641 HydrophobicContact CG2-CG1 4.49Å; I622-V641 CarbonylContact O-C 3.57Å; I622-V641 WeakPolarHBondContact O-CA 3.23Å; V641-Y646 PolarHBondContact N-O 3.39Å; V641-H648 VanDerWaalsContact CG2-CD2 3.47Å; V641-H648 WeakPolarHBondContact CG2-CD2 3.26Å
642	R	78.1	Confident	81.7	Confident	104 Å²	104	65.4 Å²	65.4	39%	0.392	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	141	174.9	-76.3	179.2	169.5	-105	-16.2	111.2	R620 I622 L623 S644	R620-R642 PolarHBondContact O-NE 3.09Å; R620-R642 VanDerWaalsContact O-NE 3.15Å; I622-R642 PolarHBondContact O-N 2.86Å; L623-R642 WeakPolarHBondContact O-CD 3.4Å; L623-R642 WeakPolarHBondContact O-CG 3.49Å; L623-R642 PolarHBondContact O-NE 2.92Å; R642-S644 WeakPolarHBondContact O-CB 2.98Å; R642-S644 PolarHBondContact O-N 2.89Å
643	N	78.3	Confident	82.3	Confident	176 Å²	176	60.4 Å²	60.4	94%	0.941	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.3	174.7	-51.9	-7.6	0	0	0	112.8
644	S	75.7	Confident	82.6	Confident	39 Å²	39	57 Å²	57	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-158.6	139.1	-167.1	173.5	0	0	0	0	110.4	R642 Y646	R642-S644 WeakPolarHBondContact O-CB 2.98Å; R642-S644 PolarHBondContact O-N 2.89Å; S644-Y646 PolarHBondContact O-N 3.02Å; S644-Y646 WeakPolarHBondContact OG-CD2 3.34Å; S644-Y646 PolarHBondContact OG-N 3.3Å
645	D	76.8	Confident	82.6	Confident	160 Å²	160	58.1 Å²	58.1	86%	0.856	30%	0.3	S	S	*	.	S	Bend	trans	-76.4	-11.8	175	-57.7	-51.9	0	0	0	112.6
646	Y	72.8	Confident	82.5	Confident	178 Å²	178	58 Å²	58	70%	0.698	30%	0.299	S	S	*	.			trans	-76.1	144.6	-177.8	-60.7	-64.7	0	0	0	112.9	V641 S644	V641-Y646 PolarHBondContact N-O 3.39Å; S644-Y646 PolarHBondContact O-N 3.02Å; S644-Y646 WeakPolarHBondContact OG-CD2 3.34Å; S644-Y646 PolarHBondContact OG-N 3.3Å
647	A	76.6	Confident	82.8	Confident	26 Å²	26	55 Å²	55	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.4	171.5	0	0	0	0	0	111.2	W638 C639	W638-A647 HydrophobicContact CB-CB 4.23Å; C639-A647 CarbonylContact O-C 3.56Å; C639-A647 WeakPolarHBondContact O-CA 3.41Å; C639-A647 WeakPolarHBondContact O-CB 3.41Å
648	H	73.3	Confident	83	Confident	114 Å²	114	55.9 Å²	55.9	53%	0.528	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137	176.6	-71.9	-65.4	0	0	0	111.5	W638 C639 V641	W638-H648 CarbonylContact C-O 3.42Å; W638-H648 WeakPolarHBondContact CA-O 3.42Å; C639-H648 PolarHBondContact N-O 3.14Å; C639-H648 PolarHBondContact O-N 3.03Å; V641-H648 VanDerWaalsContact CG2-CD2 3.47Å; V641-H648 WeakPolarHBondContact CG2-CD2 3.26Å
649	A	76.2	Confident	83.3	Confident	47 Å²	47	53.7 Å²	53.7	39%	0.388	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.3	171.1	0	0	0	0	0	110.5	K636 I637 W638	K636-A649 HydrophobicContact CD-CB 4.5Å; I637-A649 CarbonylContact O-C 3.53Å; I637-A649 VanDerWaalsContact O-CA 3.27Å; I637-A649 WeakPolarHBondContact O-CA 3.23Å; W638-A649 HydrophobicContact CD2-CB 3.9Å; W638-A649 HydrophobicContact CE3-CB 3.97Å; W638-A649 HydrophobicContact CH2-CB 4.17Å; W638-A649 HydrophobicContact CZ2-CB 4.1Å; W638-A649 HydrophobicContact CZ3-CB 4.1Å
650	I	76.1	Confident	83.4	Confident	51 Å²	51	58.5 Å²	58.5	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-10.4	-178.1	59.8	154.7	0	0	0	114.1	T611 W615 I637 C639	T611-I650 HydrophobicContact CG2-CD1 3.65Å; W615-I650 HydrophobicContact CG-CD1 4.26Å; I637-I650 HydrophobicContact CB-CG1 4.19Å; I637-I650 HydrophobicContact CG2-CD1 4.01Å; I637-I650 HydrophobicContact CG2-CG1 3.82Å; I637-I650 PolarHBondContact O-N 3.41Å; C639-I650 HydrophobicContact CB-CG2 4.36Å; C639-I650 WeakPolarHBondContact SG-CD1 3.48Å
651	G	81	Confident	83.2	Confident	29 Å²	29	59.6 Å²	59.6	30%	0.299	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-170.4	-178.8	0	0	0	0	0	113	K636 I637	K636-G651 WeakPolarHBondContact CA-O 3.34Å; I637-G651 PolarHBondContact N-O 3.28Å
652	N	88	Confident	83.7	Confident	24 Å²	24	60.3 Å²	60.3	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	153.9	178.5	-94.8	4.4	0	0	0	113.3	E501 C635 I637 R667 G668	E501-N652 WeakPolarHBondContact CA-ND2 3.49Å; E501-N652 WeakPolarHBondContact CA-OD1 3.18Å; E501-N652 HydrophobicContact CB-CB 4.43Å; E501-N652 VanDerWaalsContact CB-ND2 3.26Å; E501-N652 WeakPolarHBondContact CB-ND2 3.43Å; E501-N652 WeakPolarHBondContact CG-ND2 3.21Å; E501-N652 PolarHBondContact OE2-ND2 2.59Å; C635-N652 CarbonylContact O-C 3.37Å; C635-N652 WeakPolarHBondContact O-CA 3.24Å; C635-N652 PolarHBondContact O-OD1 2.84Å; I637-N652 WeakPolarHBondContact CD1-O 3.15Å; N652-R667 VanDerWaalsContact ND2-C 3.27Å; N652-G668 WeakPolarHBondContact ND2-CA 3.4Å; N652-G668 PolarHBondContact ND2-N 2.71Å; N652-G668 WeakPolarHBondContact OD1-CA 3.47Å
653	F	91.6	Very high	84.3	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.018	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-72.2	153.9	157	-81.8	-76.4	0	0	0	111.2	I559 P604 F607 A608 Q629 S634 C635 K636 I637 T657	I559-F653 HydrophobicContact CD1-CD1 3.56Å; I559-F653 HydrophobicContact CD1-CE1 4Å; P604-F653 HydrophobicContact CB-CE1 4.07Å; P604-F653 HydrophobicContact CB-CZ 4.13Å; P604-F653 VanDerWaalsContact O-CE1 3.23Å; P604-F653 WeakPolarHBondContact O-CE1 3.39Å; P604-F653 WeakPolarHBondContact O-CZ 3.4Å; F607-F653 HydrophobicContact CB-CE1 4.41Å; F607-F653 AromaticContact CD1-CD1 3.95Å; F607-F653 HydrophobicContact CD1-CD1 3.95Å; F607-F653 AromaticContact CD1-CE1 3.92Å; F607-F653 HydrophobicContact CD1-CE1 3.92Å; A608-F653 HydrophobicContact CB-CE1 4.49Å; A608-F653 HydrophobicContact CB-CZ 4.05Å; Q629-F653 HydrophobicContact CB-CE2 3.87Å; Q629-F653 HydrophobicContact CB-CZ 3.82Å; Q629-F653 HydrophobicContact CG-CD2 4.45Å; Q629-F653 HydrophobicContact CG-CE2 3.71Å; Q629-F653 HydrophobicContact CG-CZ 4.07Å; S634-F653 WeakPolarHBondContact O-CD2 3.36Å; C635-F653 PolarHBondContact O-N 2.94Å; K636-F653 VanDerWaalsContact O-CE2 3.27Å; K636-F653 WeakPolarHBondContact O-CE2 3.23Å; I637-F653 HydrophobicContact CD1-CD1 4.35Å; I637-F653 HydrophobicContact CG1-CD1 3.92Å; I637-F653 HydrophobicContact CG1-CD2 3.85Å; I637-F653 HydrophobicContact CG1-CE1 3.94Å; I637-F653 HydrophobicContact CG1-CE2 3.85Å; I637-F653 HydrophobicContact CG1-CG 3.9Å; I637-F653 HydrophobicContact CG1-CZ 3.92Å; F653-T657 HydrophobicContact CB-CG2 4.1Å; F653-T657 HydrophobicContact CD1-CG2 4.27Å; F653-T657 HydrophobicContact CG-CG2 4.24Å
654	P	90.8	Very high	85	Confident	27 Å²	27	50.6 Å²	50.6	18%	0.175	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-56.6	144.9	174.9	-24	34.3	0	0	0	113.1	K558 I559 F607 T657	K558-P654 HydrophobicContact CB-CG 4.43Å; K558-P654 HydrophobicContact CD-CG 4.19Å; I559-P654 HydrophobicContact CD1-CG 4.3Å; F607-P654 HydrophobicContact CE1-CG 4.15Å; F607-P654 HydrophobicContact CZ-CG 3.94Å; P654-T657 VanDerWaalsContact O-CB 3.28Å; P654-T657 WeakPolarHBondContact O-CB 3.5Å; P654-T657 PolarHBondContact O-N 2.63Å; P654-T657 VanDerWaalsContact O-N 3.15Å; P654-T657 PolarHBondContact O-OG1 3.29Å
655	D	90.2	Very high	85.8	Confident	26 Å²	26	48.8 Å²	48.8	14%	0.139	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	139.9	175.9	-70.7	-30	0	0	0	111.6	Q562 V565 C665 V666 R667	Q562-D655 PolarHBondContact NE2-O 2.67Å; V565-D655 HydrophobicContact CG2-CB 4.04Å; D655-C665 CarbonylContact C-O 3.59Å; D655-C665 WeakPolarHBondContact CA-O 3.26Å; D655-V666 VanDerWaalsContact OD1-CA 3.23Å; D655-V666 WeakPolarHBondContact OD1-CA 3.02Å; D655-R667 PolarHBondContact OD1-N 3.08Å
656	G	91.8	Very high	86.3	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-4.6	-167.9	0	0	0	0	0	115.4	Q562 L563 H664 C665	Q562-G656 CarbonylContact C-O 3.46Å; Q562-G656 WeakPolarHBondContact CA-O 3.5Å; L563-G656 PolarHBondContact N-O 2.83Å; L563-G656 WeakPolarHBondContact O-CA 3.42Å; G656-H664 PolarHBondContact O-CD2 3.34Å; G656-C665 PolarHBondContact N-O 2.02Å
657	T	93.8	Very high	86.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.8	134.1	176.6	-61.6	0	0	0	0	110.9	I559 F653 P654 H664 C665	I559-T657 HydrophobicContact CD1-CG2 4.07Å; I559-T657 HydrophobicContact CG2-CG2 4.35Å; F653-T657 HydrophobicContact CB-CG2 4.1Å; F653-T657 HydrophobicContact CD1-CG2 4.27Å; F653-T657 HydrophobicContact CG-CG2 4.24Å; P654-T657 VanDerWaalsContact O-CB 3.28Å; P654-T657 WeakPolarHBondContact O-CB 3.5Å; P654-T657 PolarHBondContact O-N 2.63Å; P654-T657 VanDerWaalsContact O-N 3.15Å; P654-T657 PolarHBondContact O-OG1 3.29Å; T657-H664 CarbonylContact O-C 3.51Å; T657-H664 WeakPolarHBondContact O-CA 3.46Å; T657-C665 PolarHBondContact O-N 3.16Å; T657-C665 PolarHBondContact O-SG 2.84Å
658	P	93.3	Very high	87	Confident	24 Å²	24	36.3 Å²	36.3	16%	0.156	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-67.1	142.7	178.1	26.4	-34.7	0	0	0	112.7	Q629	Q629-P658 PolarHBondContact NE2-O 3.3Å; Q629-P658 VanDerWaalsContact NE2-O 3.09Å
659	C	93.7	Very high	87.5	Confident	12 Å²	12	38.2 Å²	38.2	8%	0.081	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-98.2	145.2	176.2	-75.5	0	0	0	0	112.8	C635 G661 G662 G663 C665 C670	C635-C659 PolarHBondContact SG-SG 3.38Å; C659-G661 PolarHBondContact O-N 3.1Å; C659-G662 WeakPolarHBondContact CB-O 3.29Å; C659-G662 PolarHBondContact O-N 3.21Å; C659-G663 PolarHBondContact N-O 2.99Å; C659-C665 VanDerWaalsContact SG-SG 3.66Å; C659-C670 HydrophobicContact CB-CB 3.85Å; C659-C670 WeakPolarHBondContact CB-SG 3.49Å; C659-C670 WeakPolarHBondContact SG-CB 2.94Å; C659-C670 CovalentContact SG-SG 2.04Å; C659-C670 PolarHBondContact SG-SG 3.09Å
660	N	88.7	Confident	88.1	Confident	101 Å²	101	39 Å²	39	54%	0.54	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25	-179.5	-73.1	-41.4	0	0	0	114	Q629 S634	Q629-N660 PolarHBondContact OE1-ND2 3.39Å; S634-N660 PolarHBondContact OG-N 2.61Å
661	G	84	Confident	88.5	Confident	79 Å²	79	39.7 Å²	39.7	81%	0.814	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	8	173.5	0	0	0	0	0	115.1	C659	C659-G661 PolarHBondContact O-N 3.1Å
662	G	87.8	Confident	88.5	Confident	44 Å²	44	47.7 Å²	47.7	45%	0.454	29%	0.291	S	S	.	.	S	Bend	trans	88.3	164.4	-168.9	0	0	0	0	0	113.5	C659	C659-G662 WeakPolarHBondContact CB-O 3.29Å; C659-G662 PolarHBondContact O-N 3.21Å
663	G	90.9	Very high	88.5	Confident	18 Å²	18	48.9 Å²	48.9	19%	0.186	30%	0.299	C	S	.	.	S	Bend	trans	75.8	-178.6	-169	0	0	0	0	0	113.3	C659 M671	C659-G663 PolarHBondContact N-O 2.99Å; G663-M671 CarbonylContact C-O 3.59Å; G663-M671 WeakPolarHBondContact CA-O 3.23Å
664	H	92.5	Very high	88.4	Confident	59 Å²	59	51.2 Å²	51.2	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.3	-175.7	-58.4	89.3	0	0	0	111.7	L563 G656 T657 M671	L563-H664 VanDerWaalsContact CD1-CE1 3.5Å; L563-H664 WeakPolarHBondContact CD1-CE1 3.05Å; L563-H664 WeakPolarHBondContact CD1-ND1 3.46Å; G656-H664 PolarHBondContact O-CD2 3.34Å; T657-H664 CarbonylContact O-C 3.51Å; T657-H664 WeakPolarHBondContact O-CA 3.46Å; H664-M671 PolarHBondContact N-O 3.49Å; H664-M671 PolarHBondContact O-N 2.9Å
665	C	92	Very high	88.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.6	-178.3	-66	0	0	0	0	113	C635 D655 G656 T657 C659 K669	C635-C665 WeakPolarHBondContact CA-SG 3.23Å; C635-C665 HydrophobicContact CB-CB 3.83Å; C635-C665 WeakPolarHBondContact CB-SG 3.17Å; C635-C665 WeakPolarHBondContact SG-CA 3.28Å; C635-C665 WeakPolarHBondContact SG-CB 3.34Å; C635-C665 CovalentContact SG-SG 2.04Å; C635-C665 PolarHBondContact SG-SG 3.43Å; D655-C665 CarbonylContact C-O 3.59Å; D655-C665 WeakPolarHBondContact CA-O 3.26Å; G656-C665 PolarHBondContact N-O 2.02Å; T657-C665 PolarHBondContact O-N 3.16Å; T657-C665 PolarHBondContact O-SG 2.84Å; C659-C665 VanDerWaalsContact SG-SG 3.66Å; C665-K669 CarbonylContact C-O 2.96Å; C665-K669 WeakPolarHBondContact CA-O 2.99Å
666	V	88.2	Confident	88.1	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.073	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.3	167.7	-178.8	0	0	0	0	108.2	L567 A591 D655 G668 K669 M671	L567-V666 HydrophobicContact CD2-CG1 3.92Å; A591-V666 HydrophobicContact CB-CG2 3.86Å; D655-V666 VanDerWaalsContact OD1-CA 3.23Å; D655-V666 WeakPolarHBondContact OD1-CA 3.02Å; V666-G668 PolarHBondContact O-N 2.73Å; V666-K669 PolarHBondContact N-O 2.04Å; V666-K669 PolarHBondContact O-N 3.48Å; V666-M671 HydrophobicContact CB-CG 4.18Å; V666-M671 HydrophobicContact CB-SD 3.69Å; V666-M671 HydrophobicContact CG1-SD 3.98Å; V666-M671 HydrophobicContact CG2-CB 4.3Å; V666-M671 HydrophobicContact CG2-CG 4.35Å; V666-M671 HydrophobicContact CG2-SD 4.04Å
667	R	81	Confident	87.9	Confident	74 Å²	74	57.4 Å²	57.4	28%	0.279	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	33.9	-177.9	-67	-63.8	-171.8	164.7	-0.9	114.5	E501 L567 Y589 N652 D655	E501-R667 PolarHBondContact N-O 2.95Å; E501-R667 WeakPolarHBondContact OE1-CD 3.2Å; E501-R667 IonicContact OE1-CZ 2.71Å; E501-R667 IonicContact OE1-NE 3.53Å; E501-R667 IonicContact OE1-NH1 2.94Å; E501-R667 PolarHBondContact OE1-NH1 3.32Å; L567-R667 HydrophobicContact CD1-CG 4.26Å; Y589-R667 HydrophobicContact CD1-CG 4.13Å; Y589-R667 HydrophobicContact CD2-CG 4.47Å; Y589-R667 HydrophobicContact CE1-CG 4.04Å; Y589-R667 HydrophobicContact CE2-CG 4.4Å; Y589-R667 HydrophobicContact CG-CG 4.34Å; N652-R667 VanDerWaalsContact ND2-C 3.27Å; D655-R667 PolarHBondContact OD1-N 3.08Å
668	G	81.8	Confident	87.5	Confident	17 Å²	17	61.3 Å²	61.3	18%	0.175	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	10.5	176.9	0	0	0	0	0	115.3	C635 N652 V666	C635-G668 VanDerWaalsContact CB-C 3.45Å; C635-G668 WeakPolarHBondContact CB-O 3.21Å; N652-G668 WeakPolarHBondContact ND2-CA 3.4Å; N652-G668 PolarHBondContact ND2-N 2.71Å; N652-G668 WeakPolarHBondContact OD1-CA 3.47Å; V666-G668 PolarHBondContact O-N 2.73Å
669	K	84.7	Confident	87.1	Confident	154 Å²	154	63.9 Å²	63.9	67%	0.67	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.5	173.3	-63.8	177.1	-177.8	173.3	0	110.1	C665 V666 M671	C665-K669 CarbonylContact C-O 2.96Å; C665-K669 WeakPolarHBondContact CA-O 2.99Å; V666-K669 PolarHBondContact N-O 2.04Å; V666-K669 PolarHBondContact O-N 3.48Å; K669-M671 PolarHBondContact O-N 3.04Å
670	C	87.4	Confident	86.6	Confident	63 Å²	63	67.9 Å²	67.9	43%	0.426	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.3	167.8	-56.6	0	0	0	0	108.8	C635 C659	C635-C670 VanDerWaalsContact SG-SG 3.65Å; C659-C670 HydrophobicContact CB-CB 3.85Å; C659-C670 WeakPolarHBondContact CB-SG 3.49Å; C659-C670 WeakPolarHBondContact SG-CB 2.94Å; C659-C670 CovalentContact SG-SG 2.04Å; C659-C670 PolarHBondContact SG-SG 3.09Å
671	M	86.1	Confident	86.4	Confident	65 Å²	65	65.2 Å²	65.2	32%	0.32	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.2	172	-65.7	-171.7	64.6	0	0	109.3	G663 H664 V666 K669	G663-M671 CarbonylContact C-O 3.59Å; G663-M671 WeakPolarHBondContact CA-O 3.23Å; H664-M671 PolarHBondContact N-O 3.49Å; H664-M671 PolarHBondContact O-N 2.9Å; V666-M671 HydrophobicContact CB-CG 4.18Å; V666-M671 HydrophobicContact CB-SD 3.69Å; V666-M671 HydrophobicContact CG1-SD 3.98Å; V666-M671 HydrophobicContact CG2-CB 4.3Å; V666-M671 HydrophobicContact CG2-CG 4.35Å; V666-M671 HydrophobicContact CG2-SD 4.04Å; K669-M671 PolarHBondContact O-N 3.04Å
672	V	80.5	Confident	86.6	Confident	197 Å²	197	63.9 Å²	63.9	100%	1.194	37%	0.368	S	S	*	.			trans	-90.1	0	176.9	-175	0	0	0	0	109.1

Retrieved 672 of 672 residues in 1358.4 ms (Link to these results)

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