A0A096LZA1_POEFO Loading...

Sprouty related EVH1 domain containing 1

AlphaFold DB (A0A3B3UUD7), UniProt , Accession A0A096LZA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 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	36	Very low	40.8	Very low	220 Å²	220	133.5 Å²	133.5	100%	1.084	75%	0.751	S	S	*	*				0	103.3	0	-81.4	162	148.8	0	0	108
2	S	37.4	Very low	44.2	Very low	121 Å²	121	125.4 Å²	125.4	85%	0.846	70%	0.704	S	S	*	*			trans	-149.4	72.1	171.4	-54	0	0	0	0	104	D4	S2-D4 PolarHBondContact O-N 3.11Å
3	E	34.9	Very low	47.7	Very low	162 Å²	162	118.3 Å²	118.3	76%	0.757	67%	0.668	S	S	*	*			trans	-73.3	96.4	-174.3	-71.8	168.9	124.6	0	0	107.8	S5	E3-S5 PolarHBondContact O-N 2.91Å; E3-S5 PolarHBondContact O-OG 2.98Å
4	D	35.6	Very low	50.9	Low	155 Å²	155	112.5 Å²	112.5	83%	0.829	63%	0.63	S	S	*	*			trans	-52.5	113.7	169.8	-169.8	13.5	0	0	0	107.7	S2 T6	S2-D4 PolarHBondContact O-N 3.11Å; D4-T6 VanDerWaalsContact C-N 3.34Å; D4-T6 PolarHBondContact O-N 2.84Å
5	S	35.8	Very low	53.7	Low	104 Å²	104	105.8 Å²	105.8	73%	0.727	60%	0.595	S	S	*	*			trans	-75.2	91.6	-169.1	-55.5	0	0	0	0	108	E3 N7	E3-S5 PolarHBondContact O-N 2.91Å; E3-S5 PolarHBondContact O-OG 2.98Å; S5-N7 PolarHBondContact O-N 3.31Å
6	T	37.9	Very low	56.3	Low	137 Å²	137	106.2 Å²	106.2	84%	0.84	58%	0.584	S	S	*	*			trans	-44.5	105.4	177.6	27.5	0	0	0	0	110.2	D4 P8	D4-T6 VanDerWaalsContact C-N 3.34Å; D4-T6 PolarHBondContact O-N 2.84Å; T6-P8 VanDerWaalsContact O-CD 3.24Å; T6-P8 WeakPolarHBondContact O-CD 3.49Å
7	N	37	Very low	58.6	Low	117 Å²	117	100.4 Å²	100.4	63%	0.626	55%	0.553	S	S	*	*			trans	-75.7	106.9	-173.1	-165.5	4.8	0	0	0	108.5	S5	S5-N7 PolarHBondContact O-N 3.31Å
8	P	37.1	Very low	60.7	Low	109 Å²	109	101.8 Å²	101.8	71%	0.708	55%	0.548	S	S	*	.			trans	-72	136	-173.9	30.2	-32.8	0	0	0	110.3	T6	T6-P8 VanDerWaalsContact O-CD 3.24Å; T6-P8 WeakPolarHBondContact O-CD 3.49Å
9	N	44.1	Very low	62.6	Low	99 Å²	99	96.4 Å²	96.4	53%	0.529	52%	0.519	S	S	.	.			trans	47.5	76.3	175.9	-66.1	10.3	0	0	0	116	D11 D12	N9-D11 PolarHBondContact O-N 3.13Å; N9-D12 HydrophobicContact CB-CB 4.24Å; N9-D12 WeakPolarHBondContact CB-OD2 3.4Å; N9-D12 PolarHBondContact ND2-OD2 2.87Å
10	N	52.7	Low	64.4	Low	92 Å²	92	93.5 Å²	93.5	49%	0.492	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.6	158.1	-161.5	58	0	0	0	111.9	D12 S13 R16	N10-D12 PolarHBondContact O-N 3.06Å; N10-S13 PolarHBondContact O-N 3.46Å; N10-S13 PolarHBondContact O-OG 3.02Å; N10-R16 PolarHBondContact OD1-NH1 2.63Å
11	D	60.5	Low	65.9	Low	153 Å²	153	89.1 Å²	89.1	82%	0.818	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-71.4	-22.7	-177.8	-58.8	-40.5	0	0	0	114.2	N9 S13	N9-D11 PolarHBondContact O-N 3.13Å; D11-S13 VanDerWaalsContact C-N 3.31Å
12	D	81.4	Confident	68.8	Low	36 Å²	36	79.8 Å²	79.8	19%	0.193	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-86.7	3.8	176.4	-76.8	-50.2	0	0	0	113.4	N9 N10 Y45 K46	N9-D12 HydrophobicContact CB-CB 4.24Å; N9-D12 WeakPolarHBondContact CB-OD2 3.4Å; N9-D12 PolarHBondContact ND2-OD2 2.87Å; N10-D12 PolarHBondContact O-N 3.06Å; D12-Y45 CarbonylContact O-C 3.55Å; D12-Y45 VanDerWaalsContact O-CA 3.23Å; D12-Y45 WeakPolarHBondContact O-CA 3.42Å; D12-K46 HydrophobicContact CB-CB 4.15Å; D12-K46 PolarHBondContact O-N 2.93Å
13	S	89.4	Confident	71.5	Confident	33 Å²	33	75.9 Å²	75.9	23%	0.231	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120	-176.9	72.8	0	0	0	0	113.3	N10 D11 V44	N10-S13 PolarHBondContact O-N 3.46Å; N10-S13 PolarHBondContact O-OG 3.02Å; D11-S13 VanDerWaalsContact C-N 3.31Å; S13-V44 CarbonylContact C-O 3.59Å; S13-V44 WeakPolarHBondContact CA-O 3.24Å
14	Y	92.1	Very high	74.2	Confident	37 Å²	37	72.5 Å²	72.5	15%	0.145	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-37.2	-175.4	-79.2	-110.7	0	0	0	112.1	V44 K46 F86 R146 A147 D150	Y14-V44 PolarHBondContact N-O 2.62Å; Y14-K46 HydrophobicContact CE2-CB 4.03Å; Y14-F86 HydrophobicContact CE1-CE1 4.4Å; Y14-F86 HydrophobicContact CE2-CD1 4.16Å; Y14-F86 AromaticContact CE2-CE1 3.72Å; Y14-F86 HydrophobicContact CE2-CE1 3.72Å; Y14-F86 AromaticContact CZ-CE1 3.64Å; Y14-R146 HydrophobicContact CD1-CB 3.69Å; Y14-R146 HydrophobicContact CE1-CB 3.98Å; Y14-R146 PolarHBondContact O-NH1 3.45Å; Y14-R146 PolarHBondContact O-NH2 3.05Å; Y14-A147 HydrophobicContact CD1-CB 3.97Å; Y14-A147 HydrophobicContact CE1-CB 4.31Å; Y14-A147 HydrophobicContact CG-CB 4.23Å; Y14-D150 VanDerWaalsContact CE1-OD2 3.3Å; Y14-D150 WeakPolarHBondContact CE1-OD2 3.16Å; Y14-D150 PolarHBondContact OH-OD2 3.41Å
15	A	93.9	Very high	76.4	Confident	12 Å²	12	68.2 Å²	68.2	10%	0.099	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	148.6	170.8	0	0	0	0	0	110.4	T43 V44 A139 F140	A15-T43 CarbonylContact O-C 3.44Å; A15-T43 VanDerWaalsContact O-CA 3.31Å; A15-T43 WeakPolarHBondContact O-CA 3.27Å; A15-V44 PolarHBondContact O-N 2.97Å; A15-A139 WeakPolarHBondContact CB-O 3.46Å; A15-F140 HydrophobicContact CB-CD2 4.49Å
16	R	94.5	Very high	78.4	Confident	112 Å²	112	68.1 Å²	68.1	42%	0.423	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	120.2	173.2	-177.3	175.6	-67.9	140.4	0.6	109.6	N10 V42 T43	N10-R16 PolarHBondContact OD1-NH1 2.63Å; R16-V42 WeakPolarHBondContact CA-O 3.39Å; R16-T43 HydrophobicContact CB-CG2 4.29Å; R16-T43 PolarHBondContact NE-OG1 2.86Å
17	V	95.8	Very high	80.3	Confident	8 Å²	8	66.9 Å²	66.9	5%	0.048	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	169.4	-172.9	-60.5	0	0	0	0	111.9	C41 V42 F131 D136 F140	V17-C41 WeakPolarHBondContact O-CA 3.48Å; V17-V42 HydrophobicContact CG2-CB 4.24Å; V17-V42 PolarHBondContact N-O 3.2Å; V17-V42 PolarHBondContact O-N 3.22Å; V17-F131 HydrophobicContact CG2-CD1 4.27Å; V17-F131 HydrophobicContact CG2-CE1 4.03Å; V17-D136 HydrophobicContact CB-CB 4.34Å; V17-D136 HydrophobicContact CG1-CB 4.28Å; V17-F140 HydrophobicContact CG1-CB 4.04Å; V17-F140 HydrophobicContact CG1-CD2 4.45Å; V17-F140 HydrophobicContact CG2-CB 4.11Å; V17-F140 HydrophobicContact CG2-CD2 3.54Å; V17-F140 HydrophobicContact CG2-CE2 4.3Å; V17-F140 HydrophobicContact CG2-CG 4.08Å
18	R	95.8	Very high	82.1	Confident	125 Å²	125	64.7 Å²	64.7	47%	0.472	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.9	174.6	-71.7	176.2	62.1	-170.8	1.4	110.2	S40 L93 Q132	R18-S40 WeakPolarHBondContact CA-O 3.38Å; R18-L93 HydrophobicContact CG-CD1 4.18Å; R18-L93 VanDerWaalsContact NE-CD1 3.28Å; R18-Q132 PolarHBondContact O-NE2 2.96Å
19	A	97.6	Very high	84.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.6	-175.3	0	0	0	0	0	111.3	S40 V42 L129 T130 F131	A19-S40 PolarHBondContact N-O 2.89Å; A19-S40 VanDerWaalsContact N-O 3.09Å; A19-S40 PolarHBondContact O-N 2.8Å; A19-V42 HydrophobicContact CB-CG2 4.44Å; A19-L129 HydrophobicContact CB-CB 4.16Å; A19-L129 HydrophobicContact CB-CD2 4.24Å; A19-T130 CarbonylContact C-O 3.47Å; A19-T130 WeakPolarHBondContact CA-O 3.22Å; A19-T130 WeakPolarHBondContact CB-O 3.39Å; A19-F131 HydrophobicContact CB-CD1 3.87Å; A19-F131 HydrophobicContact CB-CE1 4.31Å; A19-F131 HydrophobicContact CB-CG 4.45Å
20	V	97.7	Very high	86.2	Confident	37 Å²	37	57.8 Å²	57.8	22%	0.224	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.4	166.8	-175.9	0	0	0	0	108.1	M22 P33 L39 L129 T130	V20-M22 HydrophobicContact CG1-SD 3.92Å; V20-P33 HydrophobicContact CG1-CB 4.42Å; V20-L39 HydrophobicContact CG2-CD2 4.02Å; V20-L129 WeakPolarHBondContact O-CA 3.4Å; V20-T130 PolarHBondContact N-O 3.28Å; V20-T130 PolarHBondContact O-N 3.1Å
21	V	97.1	Very high	88	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.5	175.7	-177	0	0	0	0	109.6	L34 V42 V99 L100 L129	V21-L34 HydrophobicContact CB-CB 4.33Å; V21-L34 HydrophobicContact CG1-CB 3.91Å; V21-L34 HydrophobicContact CG1-CD2 3.8Å; V21-L34 HydrophobicContact CG1-CG 4.43Å; V21-L34 PolarHBondContact O-N 3.25Å; V21-V42 HydrophobicContact CG2-CG2 4.25Å; V21-V99 HydrophobicContact CB-CG2 4.3Å; V21-V99 HydrophobicContact CG2-CG2 3.93Å; V21-L100 HydrophobicContact CG1-CB 4Å; V21-L100 HydrophobicContact CG1-CD1 4.46Å; V21-L100 HydrophobicContact CG1-CD2 4.22Å; V21-L100 HydrophobicContact CG1-CG 4.47Å; V21-L100 HydrophobicContact CG2-CB 4.16Å; V21-L100 HydrophobicContact CG2-CD2 4.35Å; V21-L129 HydrophobicContact CB-CD2 4.45Å; V21-L129 HydrophobicContact CG2-CD2 3.93Å
22	M	96.3	Very high	89.6	Confident	24 Å²	24	53.4 Å²	53.4	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.9	179.5	-52.6	-60.5	-71.4	0	0	110	V20 W31 L32 P33 F117 G128 T130	V20-M22 HydrophobicContact CG1-SD 3.92Å; M22-W31 HydrophobicContact CB-CE3 4.03Å; M22-W31 HydrophobicContact CE-CB 4.32Å; M22-L32 CarbonylContact C-O 3.58Å; M22-L32 WeakPolarHBondContact CA-O 3.37Å; M22-P33 HydrophobicContact CE-CB 4.49Å; M22-P33 HydrophobicContact SD-CB 4.1Å; M22-F117 HydrophobicContact CB-CE2 4.12Å; M22-F117 HydrophobicContact CG-CE2 3.9Å; M22-G128 PolarHBondContact N-O 3.39Å; M22-G128 PolarHBondContact O-N 2.97Å; M22-T130 WeakPolarHBondContact CG-OG1 3.45Å
23	T	94.1	Very high	90.3	Very high	39 Å²	39	54.8 Å²	54.8	24%	0.239	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.5	169.6	-171.9	0	0	0	0	108.9	L32 L34 K126	T23-L32 PolarHBondContact N-O 3.45Å; T23-L32 PolarHBondContact O-N 2.78Å; T23-L34 HydrophobicContact CG2-CB 4.38Å; T23-L34 HydrophobicContact CG2-CD1 3.92Å; T23-K126 WeakPolarHBondContact CA-O 3.16Å
24	R	91.4	Very high	90.4	Very high	92 Å²	92	55.5 Å²	55.5	35%	0.347	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.1	170.3	-164.5	174.4	-172.5	-178.7	-1.2	108.3	G29 G30 W31 K126	R24-G29 VanDerWaalsContact CZ-O 3.24Å; R24-G29 PolarHBondContact NE-O 3.14Å; R24-G29 PolarHBondContact NH2-O 2.85Å; R24-G30 WeakPolarHBondContact CG-O 3.33Å; R24-W31 HydrophobicContact CB-CD2 3.94Å; R24-W31 HydrophobicContact CB-CE3 3.73Å; R24-W31 HydrophobicContact CB-CH2 3.94Å; R24-W31 HydrophobicContact CB-CZ2 4.16Å; R24-W31 HydrophobicContact CB-CZ3 3.73Å; R24-W31 HydrophobicContact CG-CD2 4.31Å; R24-K126 HydrophobicContact CB-CB 3.88Å; R24-K126 HydrophobicContact CB-CD 4.09Å; R24-K126 HydrophobicContact CG-CD 4.4Å; R24-K126 PolarHBondContact N-O 3.47Å
25	D	81.3	Confident	90.1	Very high	65 Å²	65	56 Å²	56	35%	0.348	32%	0.317	S	S	.	.			trans	-88.1	126.4	169	157.8	47	0	0	0	108.4	S27 S28 G29	D25-S27 PolarHBondContact O-N 3.3Å; D25-S27 VanDerWaalsContact OD1-CB 3.27Å; D25-S27 WeakPolarHBondContact OD1-CB 3.25Å; D25-S27 PolarHBondContact OD1-N 3.13Å; D25-S27 PolarHBondContact OD1-OG 2.78Å; D25-S27 WeakPolarHBondContact OD2-CB 3.37Å; D25-S28 PolarHBondContact O-N 2.96Å; D25-S28 PolarHBondContact O-OG 2.79Å; D25-S28 WeakPolarHBondContact OD2-CB 3.35Å; D25-S28 PolarHBondContact OD2-N 2.78Å; D25-S28 VanDerWaalsContact OD2-N 3.11Å; D25-S28 PolarHBondContact OD2-OG 3.4Å; D25-G29 PolarHBondContact O-N 2.96Å
26	D	79	Confident	89.7	Confident	101 Å²	101	58.8 Å²	58.8	54%	0.54	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.7	-178	-73.6	-29.4	0	0	0	112.5	K126	D26-K126 IonicContact OD1-NZ 3.79Å; D26-K126 PolarHBondContact OD1-NZ 2.98Å; D26-K126 IonicContact OD2-NZ 2.65Å
27	S	77.8	Confident	89.5	Confident	112 Å²	112	53.8 Å²	53.8	78%	0.783	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-38.1	176	-32.2	0	0	0	0	112.7	D25	D25-S27 PolarHBondContact O-N 3.3Å; D25-S27 VanDerWaalsContact OD1-CB 3.27Å; D25-S27 WeakPolarHBondContact OD1-CB 3.25Å; D25-S27 PolarHBondContact OD1-N 3.13Å; D25-S27 PolarHBondContact OD1-OG 2.78Å; D25-S27 WeakPolarHBondContact OD2-CB 3.37Å
28	S	74.6	Confident	89.4	Confident	70 Å²	70	55.4 Å²	55.4	49%	0.49	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-16.5	-178.7	52.9	0	0	0	0	113.6	D25 G30	D25-S28 PolarHBondContact O-N 2.96Å; D25-S28 PolarHBondContact O-OG 2.79Å; D25-S28 WeakPolarHBondContact OD2-CB 3.35Å; D25-S28 PolarHBondContact OD2-N 2.78Å; D25-S28 VanDerWaalsContact OD2-N 3.11Å; D25-S28 PolarHBondContact OD2-OG 3.4Å; S28-G30 PolarHBondContact O-N 2.9Å
29	G	78.9	Confident	89.4	Confident	34 Å²	34	51.9 Å²	51.9	35%	0.351	34%	0.34	S	S	.	.			trans	68.5	-5	-179.9	0	0	0	0	0	115	R24 D25	R24-G29 VanDerWaalsContact CZ-O 3.24Å; R24-G29 PolarHBondContact NE-O 3.14Å; R24-G29 PolarHBondContact NH2-O 2.85Å; D25-G29 PolarHBondContact O-N 2.96Å
30	G	87.5	Confident	89.4	Confident	30 Å²	30	52 Å²	52	31%	0.309	34%	0.34	S	S	.	.	S	Bend	trans	-103.1	157.9	-174.9	0	0	0	0	0	114.3	R24 S28	R24-G30 WeakPolarHBondContact CG-O 3.33Å; S28-G30 PolarHBondContact O-N 2.9Å
31	W	92.1	Very high	89.4	Confident	64 Å²	64	51.7 Å²	51.7	24%	0.242	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.7	173.6	-72	104.1	0	0	0	111	M22 R24 F117 H119 K126	M22-W31 HydrophobicContact CB-CE3 4.03Å; M22-W31 HydrophobicContact CE-CB 4.32Å; R24-W31 HydrophobicContact CB-CD2 3.94Å; R24-W31 HydrophobicContact CB-CE3 3.73Å; R24-W31 HydrophobicContact CB-CH2 3.94Å; R24-W31 HydrophobicContact CB-CZ2 4.16Å; R24-W31 HydrophobicContact CB-CZ3 3.73Å; R24-W31 HydrophobicContact CG-CD2 4.31Å; W31-F117 AromaticContact CD1-CE1 3.98Å; W31-F117 HydrophobicContact CD2-CE1 4.11Å; W31-F117 AromaticContact CD2-CZ 3.51Å; W31-F117 HydrophobicContact CD2-CZ 3.51Å; W31-F117 AromaticContact CE2-CE1 3.83Å; W31-F117 AromaticContact CE2-CZ 3.63Å; W31-F117 AromaticContact CE3-CZ 3.84Å; W31-F117 HydrophobicContact CE3-CZ 3.84Å; W31-F117 HydrophobicContact CG-CE1 4.22Å; W31-F117 AromaticContact CG-CZ 3.83Å; W31-F117 HydrophobicContact CG-CZ 3.83Å; W31-F117 HydrophobicContact CH2-CZ 4.42Å; W31-F117 HydrophobicContact CZ2-CE1 4.34Å; W31-F117 HydrophobicContact CZ2-CZ 4.11Å; W31-F117 HydrophobicContact CZ3-CZ 4.28Å; W31-F117 AromaticContact NE1-CE1 3.72Å; W31-F117 AromaticContact NE1-CZ 3.93Å; W31-H119 HydrophobicContact CH2-CB 3.41Å; W31-H119 VanDerWaalsContact CH2-CB 3.41Å; W31-H119 AromaticContact CH2-CG 3.69Å; W31-H119 HydrophobicContact CZ2-CB 3.61Å; W31-H119 AromaticContact CZ2-CD2 3.6Å; W31-H119 AromaticContact CZ2-CG 3.4Å; W31-H119 AromaticContact CZ2-ND1 3.75Å; W31-H119 HydrophobicContact CZ3-CB 4.24Å; W31-K126 HydrophobicContact CH2-CB 4.05Å; W31-K126 HydrophobicContact CZ3-CB 4.47Å
32	L	93.8	Very high	89.4	Confident	89 Å²	89	51.6 Å²	51.6	47%	0.466	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.1	-176	-65.8	170.9	0	0	0	110.9	M22 T23 L34	M22-L32 CarbonylContact C-O 3.58Å; M22-L32 WeakPolarHBondContact CA-O 3.37Å; T23-L32 PolarHBondContact N-O 3.45Å; T23-L32 PolarHBondContact O-N 2.78Å; L32-L34 PolarHBondContact O-N 3.3Å
33	P	94.5	Very high	89.4	Confident	65 Å²	65	51.3 Å²	51.3	42%	0.422	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.6	-180	28.9	-34.3	0	0	0	111.6	V20 M22	V20-P33 HydrophobicContact CG1-CB 4.42Å; M22-P33 HydrophobicContact CE-CB 4.49Å; M22-P33 HydrophobicContact SD-CB 4.1Å
34	L	91.8	Very high	89.5	Confident	47 Å²	47	49.4 Å²	49.4	25%	0.246	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-71.9	141.3	-176.5	-171.6	56.3	0	0	0	111.2	V21 T23 L32 G36 G37 V99	V21-L34 HydrophobicContact CB-CB 4.33Å; V21-L34 HydrophobicContact CG1-CB 3.91Å; V21-L34 HydrophobicContact CG1-CD2 3.8Å; V21-L34 HydrophobicContact CG1-CG 4.43Å; V21-L34 PolarHBondContact O-N 3.25Å; T23-L34 HydrophobicContact CG2-CB 4.38Å; T23-L34 HydrophobicContact CG2-CD1 3.92Å; L32-L34 PolarHBondContact O-N 3.3Å; L34-G36 PolarHBondContact O-N 2.93Å; L34-G36 VanDerWaalsContact O-N 3.17Å; L34-G37 PolarHBondContact O-N 3.44Å; L34-V99 WeakPolarHBondContact CD2-O 3.37Å
35	G	86.2	Confident	89.6	Confident	47 Å²	47	47.6 Å²	47.6	49%	0.485	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	65	13.9	-179.7	0	0	0	0	0	115.4	R92	G35-R92 PolarHBondContact O-NH1 3.2Å
36	G	85.4	Confident	90.2	Very high	71 Å²	71	47.8 Å²	47.8	73%	0.732	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	86.5	10.9	-170.3	0	0	0	0	0	114	L34	L34-G36 PolarHBondContact O-N 2.93Å; L34-G36 VanDerWaalsContact O-N 3.17Å
37	G	90.2	Very high	90.6	Very high	8 Å²	8	45.2 Å²	45.2	8%	0.082	31%	0.306	C	S	.	.			trans	74.5	-156.2	172	0	0	0	0	0	115.2	L34 R92	L34-G37 PolarHBondContact O-N 3.44Å; G37-R92 WeakPolarHBondContact O-CD 3.19Å; G37-R92 PolarHBondContact O-NH1 2.79Å
38	G	94	Very high	90.9	Very high	42 Å²	42	43.1 Å²	43.1	43%	0.433	29%	0.292	S	S	.	.			trans	90.6	165	-167.1	0	0	0	0	0	112.7
39	L	96.9	Very high	90.4	Very high	50 Å²	50	46.5 Å²	46.5	26%	0.262	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.5	177.8	-69.5	171.7	0	0	0	111.1	V20 L93 Q132	V20-L39 HydrophobicContact CG2-CD2 4.02Å; L39-L93 HydrophobicContact CB-CD1 3.83Å; L39-L93 WeakPolarHBondContact O-CB 3.15Å; L39-L93 WeakPolarHBondContact O-CG 3.14Å; L39-L93 PolarHBondContact O-N 2.84Å; L39-Q132 HydrophobicContact CD1-CG 4.48Å; L39-Q132 VanDerWaalsContact CD1-OE1 3.29Å; L39-Q132 HydrophobicContact CD2-CG 3.66Å
40	S	97.8	Very high	89.2	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.4	175.1	-56.6	0	0	0	0	110.7	R18 A19 V42 E91 R92 V99	R18-S40 WeakPolarHBondContact CA-O 3.38Å; A19-S40 PolarHBondContact N-O 2.89Å; A19-S40 VanDerWaalsContact N-O 3.09Å; A19-S40 PolarHBondContact O-N 2.8Å; S40-V42 PolarHBondContact O-N 2.93Å; S40-E91 CarbonylContact C-O 3.48Å; S40-E91 VanDerWaalsContact CA-O 3.22Å; S40-E91 WeakPolarHBondContact CA-O 3.09Å; S40-E91 WeakPolarHBondContact CB-O 3.33Å; S40-R92 WeakPolarHBondContact OG-CA 3.47Å; S40-V99 WeakPolarHBondContact OG-CG2 3.28Å
41	C	96.8	Very high	87.3	Confident	32 Å²	32	54.6 Å²	54.6	22%	0.216	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	108.5	164	-171.6	0	0	0	0	107.5	V17 G90 E91 L93	V17-C41 WeakPolarHBondContact O-CA 3.48Å; C41-G90 WeakPolarHBondContact O-CA 3.25Å; C41-E91 PolarHBondContact N-O 2.81Å; C41-E91 PolarHBondContact O-N 3.09Å; C41-L93 HydrophobicContact CB-CD2 3.85Å
42	V	97.5	Very high	84.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.8	-179.9	-166.7	0	0	0	0	108.8	R16 V17 A19 V21 S40 I88 R89 L100 L129 F140	R16-V42 WeakPolarHBondContact CA-O 3.39Å; V17-V42 HydrophobicContact CG2-CB 4.24Å; V17-V42 PolarHBondContact N-O 3.2Å; V17-V42 PolarHBondContact O-N 3.22Å; A19-V42 HydrophobicContact CB-CG2 4.44Å; V21-V42 HydrophobicContact CG2-CG2 4.25Å; S40-V42 PolarHBondContact O-N 2.93Å; V42-I88 HydrophobicContact CG1-CG2 3.63Å; V42-R89 CarbonylContact C-O 3.59Å; V42-R89 WeakPolarHBondContact CA-O 3.1Å; V42-L100 HydrophobicContact CG1-CD2 4.26Å; V42-L129 HydrophobicContact CB-CD1 4.47Å; V42-L129 HydrophobicContact CG1-CD1 4.06Å; V42-L129 HydrophobicContact CG1-CD2 4.35Å; V42-L129 HydrophobicContact CG2-CD2 3.93Å; V42-F140 HydrophobicContact CB-CE2 4.41Å; V42-F140 HydrophobicContact CG1-CE2 3.8Å; V42-F140 HydrophobicContact CG1-CZ 4.09Å
43	T	96.4	Very high	82.4	Confident	17 Å²	17	61.5 Å²	61.5	10%	0.104	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.3	-176.7	-51.3	0	0	0	0	109.9	A15 R16 Y45 I88 R89	A15-T43 CarbonylContact O-C 3.44Å; A15-T43 VanDerWaalsContact O-CA 3.31Å; A15-T43 WeakPolarHBondContact O-CA 3.27Å; R16-T43 HydrophobicContact CB-CG2 4.29Å; R16-T43 PolarHBondContact NE-OG1 2.86Å; T43-Y45 HydrophobicContact CG2-CD1 4.37Å; T43-I88 WeakPolarHBondContact O-CA 3.42Å; T43-R89 PolarHBondContact N-O 2.69Å; T43-R89 PolarHBondContact O-N 2.65Å
44	V	95.9	Very high	79.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126	163.5	-171.6	0	0	0	0	107.3	S13 Y14 A15 H87 I88 L104 F140 V144 A147	S13-V44 CarbonylContact C-O 3.59Å; S13-V44 WeakPolarHBondContact CA-O 3.24Å; Y14-V44 PolarHBondContact N-O 2.62Å; A15-V44 PolarHBondContact O-N 2.97Å; V44-H87 WeakPolarHBondContact CA-O 3.48Å; V44-I88 HydrophobicContact CG2-CG1 4.35Å; V44-L104 HydrophobicContact CG1-CD1 3.78Å; V44-F140 HydrophobicContact CG2-CD2 3.98Å; V44-F140 HydrophobicContact CG2-CE2 3.4Å; V44-F140 HydrophobicContact CG2-CZ 3.73Å; V44-V144 HydrophobicContact CG2-CG2 3.9Å; V44-A147 HydrophobicContact CG1-CB 3.92Å
45	Y	94.1	Very high	77.4	Confident	53 Å²	53	68.3 Å²	68.3	21%	0.208	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156	-177.7	64.1	-71	0	0	0	112.6	D12 T43 V47 F86 H87 R89	D12-Y45 CarbonylContact O-C 3.55Å; D12-Y45 VanDerWaalsContact O-CA 3.23Å; D12-Y45 WeakPolarHBondContact O-CA 3.42Å; T43-Y45 HydrophobicContact CG2-CD1 4.37Å; Y45-V47 HydrophobicContact CD2-CG2 3.71Å; Y45-V47 HydrophobicContact CE2-CG2 3.38Å; Y45-F86 WeakPolarHBondContact O-CA 3.43Å; Y45-H87 HydrophobicContact CD1-CB 4.18Å; Y45-H87 WeakPolarHBondContact CD1-O 3.5Å; Y45-H87 HydrophobicContact CE1-CB 3.54Å; Y45-H87 HydrophobicContact CE2-CB 4.1Å; Y45-H87 PolarHBondContact N-O 2.91Å; Y45-H87 PolarHBondContact O-N 2.77Å; Y45-R89 HydrophobicContact CE1-CB 3.52Å
46	K	92.1	Very high	75	Confident	69 Å²	69	71.6 Å²	71.6	30%	0.3	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	141.1	174.6	-177.2	-178.1	173	-170.7	0	110	D12 Y14 V84 F86	D12-K46 HydrophobicContact CB-CB 4.15Å; D12-K46 PolarHBondContact O-N 2.93Å; Y14-K46 HydrophobicContact CE2-CB 4.03Å; K46-V84 HydrophobicContact CD-CG1 3.94Å; K46-V84 VanDerWaalsContact CE-CG1 3.43Å; K46-V84 HydrophobicContact CG-CG1 3.5Å; K46-V84 VanDerWaalsContact CG-CG1 3.5Å; K46-F86 HydrophobicContact CB-CD1 3.99Å; K46-F86 HydrophobicContact CB-CE1 3.85Å; K46-F86 HydrophobicContact CD-CE1 4.23Å; K46-F86 HydrophobicContact CD-CZ 4.36Å; K46-F86 HydrophobicContact CG-CD1 4.32Å; K46-F86 HydrophobicContact CG-CE1 3.89Å; K46-F86 HydrophobicContact CG-CZ 4.17Å
47	V	89.3	Confident	72.8	Confident	47 Å²	47	77.4 Å²	77.4	29%	0.285	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.9	173.4	-178	0	0	0	0	108	Y45 E85 H87	Y45-V47 HydrophobicContact CD2-CG2 3.71Å; Y45-V47 HydrophobicContact CE2-CG2 3.38Å; V47-E85 WeakPolarHBondContact CA-O 3.46Å; V47-E85 WeakPolarHBondContact CB-O 3.29Å; V47-E85 PolarHBondContact N-O 2.88Å; V47-E85 PolarHBondContact O-N 3.02Å; V47-H87 WeakPolarHBondContact CG2-ND1 3.32Å
48	S	82.8	Confident	70.4	Confident	68 Å²	68	82.1 Å²	82.1	48%	0.476	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.2	167.1	52.1	0	0	0	0	109.4	A50	S48-A50 PolarHBondContact O-N 2.8Å
49	R	64.4	Low	67.7	Low	141 Å²	141	83.8 Å²	83.8	53%	0.532	48%	0.478	S	S	.	.			trans	-68.2	99.8	163.3	-76.6	-170	173	79.9	8.7	109	E85	R49-E85 IonicContact CZ-OE2 2.69Å; R49-E85 VanDerWaalsContact CZ-OE2 3.24Å; R49-E85 IonicContact NH1-OE2 2.7Å; R49-E85 PolarHBondContact NH1-OE2 3.25Å; R49-E85 IonicContact NH2-OE2 3.09Å; R49-E85 PolarHBondContact NH2-OE2 2.88Å
50	A	53.5	Low	64.7	Low	73 Å²	73	85.2 Å²	85.2	60%	0.603	51%	0.505	S	S	*	.			trans	-74.6	135.6	156.3	0	0	0	0	0	107.9	S48 D52	S48-A50 PolarHBondContact O-N 2.8Å; A50-D52 PolarHBondContact O-N 3.19Å; A50-D52 VanDerWaalsContact O-N 3.14Å
51	E	47	Very low	61.9	Low	162 Å²	162	91.4 Å²	91.4	76%	0.757	55%	0.548	S	S	*	.			trans	-75.1	100.4	171.6	-66.1	-175.2	135.6	0	0	108.7	N53	E51-N53 PolarHBondContact O-N 3.48Å
52	D	42	Very low	58.9	Low	154 Å²	154	94 Å²	94	82%	0.824	58%	0.58	S	S	*	*			trans	-68.9	74.9	175.4	-77.4	-34.5	0	0	0	111.2	A50 N54	A50-D52 PolarHBondContact O-N 3.19Å; A50-D52 VanDerWaalsContact O-N 3.14Å; D52-N54 PolarHBondContact O-N 3.4Å
53	N	41.7	Very low	55.8	Low	144 Å²	144	97.9 Å²	97.9	77%	0.77	62%	0.621	S	S	*	*			trans	-71	71.3	167.3	-82.4	-43.4	0	0	0	110.3	E51	E51-N53 PolarHBondContact O-N 3.48Å
54	N	43	Very low	53.2	Low	143 Å²	143	103.5 Å²	103.5	77%	0.765	66%	0.661	S	S	*	*			trans	-125.5	60.9	172.3	-165.3	21.1	0	0	0	111.9	D52 T56	D52-N54 PolarHBondContact O-N 3.4Å; N54-T56 PolarHBondContact O-N 3.42Å
55	S	38.1	Very low	50.2	Low	111 Å²	111	107.2 Å²	107.2	78%	0.776	70%	0.698	S	S	*	*			trans	-88.5	88.5	166.8	41.5	0	0	0	0	110.9
56	T	37	Very low	47.8	Very low	116 Å²	116	110 Å²	110	71%	0.712	73%	0.725	S	S	*	*			trans	14.5	109.5	154.1	-44.5	0	0	0	0	118	N54 S58	N54-T56 PolarHBondContact O-N 3.42Å; T56-S58 PolarHBondContact O-N 3.42Å
57	H	39.2	Very low	45.1	Very low	194 Å²	194	114.6 Å²	114.6	90%	0.898	75%	0.754	S	S	*	*			trans	-74.7	89.1	172	-158.6	-72.2	0	0	0	111.7
58	S	38.2	Very low	42.9	Very low	106 Å²	106	120.2 Å²	120.2	74%	0.741	78%	0.781	S	S	*	*			trans	-105.6	108	171.2	56.7	0	0	0	0	111.4	T56	T56-S58 PolarHBondContact O-N 3.42Å
59	G	38.6	Very low	41	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	80%	0.797	S	S	*	*			trans	-74.2	140.3	177	0	0	0	0	0	113.1
60	G	32.5	Very low	40	Very low	79 Å²	79	121.8 Å²	121.8	81%	0.814	81%	0.81	S	S	*	*			trans	-157.9	124.6	172.2	0	0	0	0	0	110
61	S	39.8	Very low	38.9	Very low	133 Å²	133	123.9 Å²	123.9	93%	0.93	82%	0.82	S	S	*	*			trans	-99.8	143.2	-173	-53	0	0	0	0	112.9
62	G	33.8	Very low	38.4	Very low	86 Å²	86	121.5 Å²	121.5	89%	0.887	82%	0.821	S	S	*	*			trans	111.3	138.7	152.6	0	0	0	0	0	116.8
63	G	32.8	Very low	38.2	Very low	82 Å²	82	119.6 Å²	119.6	85%	0.845	82%	0.82	S	S	*	*			trans	137.1	98.7	165.8	0	0	0	0	0	114.6
64	S	40.8	Very low	37.9	Very low	135 Å²	135	118.4 Å²	118.4	94%	0.944	82%	0.818	S	S	*	*			trans	-69.5	144.7	172.7	-57.7	0	0	0	0	112.4
65	G	34.4	Very low	37.8	Very low	77 Å²	77	117.1 Å²	117.1	79%	0.794	82%	0.817	S	S	*	*			trans	-172.8	98.2	170.9	0	0	0	0	0	112
66	S	42	Very low	37.8	Very low	111 Å²	111	117 Å²	117	78%	0.776	82%	0.817	S	S	*	*			trans	-68.2	137	175.9	51.6	0	0	0	0	112.1
67	N	37.2	Very low	38	Very low	167 Å²	167	117.5 Å²	117.5	89%	0.893	82%	0.821	S	S	*	*			trans	-160.5	150.6	137.2	-98.7	-31.7	0	0	0	112.6
68	L	41.7	Very low	37.9	Very low	165 Å²	165	113.1 Å²	113.1	86%	0.864	81%	0.813	S	S	*	*			trans	-90.3	139.2	-169.5	-65.3	151.1	0	0	0	111.8
69	S	43.2	Very low	38.2	Very low	116 Å²	116	113.9 Å²	113.9	81%	0.811	82%	0.815	S	S	*	*			trans	-162.2	132.7	155.5	-79.9	0	0	0	0	109.8
70	P	44.3	Very low	38.4	Very low	125 Å²	125	114.5 Å²	114.5	81%	0.812	81%	0.807	S	S	*	*			trans	-76.1	146.9	-178.6	31	-33.8	0	0	0	111.6	S72	P70-S72 PolarHBondContact O-N 3.17Å
71	C	30.7	Very low	39.3	Very low	118 Å²	118	116 Å²	116	80%	0.797	80%	0.803	S	S	*	*			trans	-65.1	125.9	179.5	41.7	0	0	0	0	113
72	S	34.9	Very low	40.1	Very low	111 Å²	111	114.5 Å²	114.5	78%	0.776	79%	0.788	S	S	*	*			trans	-95.1	108.2	156.5	-68	0	0	0	0	108.3	P70 T74	P70-S72 PolarHBondContact O-N 3.17Å; S72-T74 VanDerWaalsContact C-N 3.34Å; S72-T74 PolarHBondContact O-N 3.11Å
73	S	37.4	Very low	41.9	Very low	115 Å²	115	113.2 Å²	113.2	80%	0.804	77%	0.769	S	S	*	*			trans	-74.8	81.3	180	-54.2	0	0	0	0	111.3
74	T	36.5	Very low	44.3	Very low	119 Å²	119	111 Å²	111	73%	0.73	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-77.9	123.7	167	-44	0	0	0	0	108.5	S72 S76	S72-T74 VanDerWaalsContact C-N 3.34Å; S72-T74 PolarHBondContact O-N 3.11Å; T74-S76 PolarHBondContact O-N 2.95Å
75	P	41.5	Very low	46.6	Very low	115 Å²	115	106.7 Å²	106.7	75%	0.747	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-66	126.6	174.8	27.1	-32.6	0	0	0	109.5
76	S	36.2	Very low	49.4	Very low	110 Å²	110	103.2 Å²	103.2	77%	0.769	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-55.4	140.5	170.7	-51.3	0	0	0	0	109.9	T74 S78	T74-S76 PolarHBondContact O-N 2.95Å; S76-S78 PolarHBondContact O-N 3.3Å
77	P	43	Very low	51.9	Low	125 Å²	125	99.2 Å²	99.2	81%	0.812	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-60.1	131	171.3	26.4	-32.5	0	0	0	109
78	S	37.1	Very low	54.7	Low	102 Å²	102	91.2 Å²	91.2	71%	0.713	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-49.7	146.4	170.4	48.5	0	0	0	0	110.9	S76 S80	S76-S78 PolarHBondContact O-N 3.3Å; S78-S80 PolarHBondContact O-N 2.82Å; S78-S80 VanDerWaalsContact O-N 3.1Å
79	P	43.1	Very low	57.3	Low	122 Å²	122	87.1 Å²	87.1	79%	0.792	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-54.4	123.4	174.8	24.4	-33.7	0	0	0	109.1
80	S	42.8	Very low	59.8	Low	91 Å²	91	81.6 Å²	81.6	64%	0.636	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-57.8	152	171.5	41.6	0	0	0	0	109.6	S78 T82	S78-S80 PolarHBondContact O-N 2.82Å; S78-S80 VanDerWaalsContact O-N 3.1Å; S80-T82 PolarHBondContact O-N 3.36Å; S80-T82 VanDerWaalsContact O-N 3.17Å
81	P	51.5	Low	62.3	Low	112 Å²	112	77.5 Å²	77.5	73%	0.727	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-53.2	129.1	170.5	24.3	-33.8	0	0	0	108.3	A83	P81-A83 PolarHBondContact O-N 3.49Å
82	T	57.6	Low	65.4	Low	100 Å²	100	73.5 Å²	73.5	61%	0.613	47%	0.466	S	S	*	.			trans	-52	113.3	-178.2	42.1	0	0	0	0	108.8	S80 V84	S80-T82 PolarHBondContact O-N 3.36Å; S80-T82 VanDerWaalsContact O-N 3.17Å; T82-V84 PolarHBondContact O-N 2.73Å
83	A	70.3	Confident	68.3	Low	59 Å²	59	71.2 Å²	71.2	49%	0.488	44%	0.444	S	S	.	.			trans	-67.5	98.2	-171.4	0	0	0	0	0	109.7	P81 E85	P81-A83 PolarHBondContact O-N 3.49Å; A83-E85 PolarHBondContact O-N 2.95Å
84	V	84.4	Confident	71.1	Confident	35 Å²	35	74.9 Å²	74.9	21%	0.212	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	116.3	174.2	-179.2	0	0	0	0	108.1	K46 T82 F86 V154	K46-V84 HydrophobicContact CD-CG1 3.94Å; K46-V84 VanDerWaalsContact CE-CG1 3.43Å; K46-V84 HydrophobicContact CG-CG1 3.5Å; K46-V84 VanDerWaalsContact CG-CG1 3.5Å; T82-V84 PolarHBondContact O-N 2.73Å; V84-F86 HydrophobicContact CB-CE2 4.4Å; V84-F86 HydrophobicContact CG1-CD2 4.1Å; V84-F86 HydrophobicContact CG1-CE2 3.44Å; V84-F86 VanDerWaalsContact CG1-CE2 3.44Å; V84-F86 HydrophobicContact CG1-CZ 3.72Å; V84-V154 HydrophobicContact CB-CG1 4.42Å; V84-V154 HydrophobicContact CG2-CG1 4.44Å
85	E	89.8	Confident	73.9	Confident	46 Å²	46	72.8 Å²	72.8	22%	0.215	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.7	-178.7	-167.3	172.8	-158.8	0	0	109.7	V47 R49 A83 H87 V103	V47-E85 WeakPolarHBondContact CA-O 3.46Å; V47-E85 WeakPolarHBondContact CB-O 3.29Å; V47-E85 PolarHBondContact N-O 2.88Å; V47-E85 PolarHBondContact O-N 3.02Å; R49-E85 IonicContact CZ-OE2 2.69Å; R49-E85 VanDerWaalsContact CZ-OE2 3.24Å; R49-E85 IonicContact NH1-OE2 2.7Å; R49-E85 PolarHBondContact NH1-OE2 3.25Å; R49-E85 IonicContact NH2-OE2 3.09Å; R49-E85 PolarHBondContact NH2-OE2 2.88Å; A83-E85 PolarHBondContact O-N 2.95Å; E85-H87 VanDerWaalsContact CG-CE1 3.42Å; E85-H87 WeakPolarHBondContact CG-CE1 3.19Å; E85-H87 PolarHBondContact O-ND1 2.89Å; E85-H87 IonicContact OE2-CE1 3.72Å; E85-V103 HydrophobicContact CG-CG1 3.65Å; E85-V103 HydrophobicContact CG-CG2 4.39Å; E85-V103 WeakPolarHBondContact OE1-CG1 3.37Å; E85-V103 VanDerWaalsContact OE1-CG2 3.25Å; E85-V103 WeakPolarHBondContact OE1-CG2 3.38Å
86	F	93	Very high	76.4	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.018	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.6	-177.9	-63.8	-102.4	0	0	0	110	Y14 Y45 K46 V84 L104 A147 D150 I151	Y14-F86 HydrophobicContact CE1-CE1 4.4Å; Y14-F86 HydrophobicContact CE2-CD1 4.16Å; Y14-F86 AromaticContact CE2-CE1 3.72Å; Y14-F86 HydrophobicContact CE2-CE1 3.72Å; Y14-F86 AromaticContact CZ-CE1 3.64Å; Y45-F86 WeakPolarHBondContact O-CA 3.43Å; K46-F86 HydrophobicContact CB-CD1 3.99Å; K46-F86 HydrophobicContact CB-CE1 3.85Å; K46-F86 HydrophobicContact CD-CE1 4.23Å; K46-F86 HydrophobicContact CD-CZ 4.36Å; K46-F86 HydrophobicContact CG-CD1 4.32Å; K46-F86 HydrophobicContact CG-CE1 3.89Å; K46-F86 HydrophobicContact CG-CZ 4.17Å; V84-F86 HydrophobicContact CB-CE2 4.4Å; V84-F86 HydrophobicContact CG1-CD2 4.1Å; V84-F86 HydrophobicContact CG1-CE2 3.44Å; V84-F86 VanDerWaalsContact CG1-CE2 3.44Å; V84-F86 HydrophobicContact CG1-CZ 3.72Å; F86-L104 HydrophobicContact CB-CB 4.02Å; F86-L104 HydrophobicContact CB-CD1 3.95Å; F86-L104 PolarHBondContact O-N 2.91Å; F86-A147 HydrophobicContact CD1-CB 3.84Å; F86-A147 HydrophobicContact CE1-CB 4.38Å; F86-A147 HydrophobicContact CG-CB 4.38Å; F86-D150 HydrophobicContact CE1-CB 4.34Å; F86-D150 HydrophobicContact CZ-CB 3.83Å; F86-I151 HydrophobicContact CB-CD1 4.23Å; F86-I151 HydrophobicContact CB-CG1 4.49Å; F86-I151 HydrophobicContact CD2-CD1 3.87Å; F86-I151 HydrophobicContact CD2-CG1 3.22Å; F86-I151 HydrophobicContact CE2-CB 4.43Å; F86-I151 HydrophobicContact CE2-CG1 3.48Å; F86-I151 VanDerWaalsContact CE2-CG1 3.48Å; F86-I151 HydrophobicContact CG-CD1 4.28Å; F86-I151 HydrophobicContact CG-CG1 4.02Å; F86-I151 HydrophobicContact CZ-CG1 4.45Å
87	H	94.4	Very high	79.2	Confident	26 Å²	26	72.8 Å²	72.8	12%	0.12	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.8	-170.7	-71.8	75.8	0	0	0	111.3	V44 Y45 V47 E85	V44-H87 WeakPolarHBondContact CA-O 3.48Å; Y45-H87 HydrophobicContact CD1-CB 4.18Å; Y45-H87 WeakPolarHBondContact CD1-O 3.5Å; Y45-H87 HydrophobicContact CE1-CB 3.54Å; Y45-H87 HydrophobicContact CE2-CB 4.1Å; Y45-H87 PolarHBondContact N-O 2.91Å; Y45-H87 PolarHBondContact O-N 2.77Å; V47-H87 WeakPolarHBondContact CG2-ND1 3.32Å; E85-H87 VanDerWaalsContact CG-CE1 3.42Å; E85-H87 WeakPolarHBondContact CG-CE1 3.19Å; E85-H87 PolarHBondContact O-ND1 2.89Å; E85-H87 IonicContact OE2-CE1 3.72Å
88	I	95.8	Very high	81.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.2	161.2	-55.3	175.9	0	0	0	107.5	V42 T43 V44 L100 E101 C102 L104 W120 F140 V144	V42-I88 HydrophobicContact CG1-CG2 3.63Å; T43-I88 WeakPolarHBondContact O-CA 3.42Å; V44-I88 HydrophobicContact CG2-CG1 4.35Å; I88-L100 HydrophobicContact CG2-CD2 3.84Å; I88-E101 WeakPolarHBondContact O-CA 3.44Å; I88-C102 PolarHBondContact N-O 3.18Å; I88-C102 PolarHBondContact O-N 2.63Å; I88-L104 HydrophobicContact CD1-CD2 3.8Å; I88-L104 HydrophobicContact CD1-CG 4.31Å; I88-L104 HydrophobicContact CG1-CD1 4.28Å; I88-L104 HydrophobicContact CG1-CD2 4.1Å; I88-L104 HydrophobicContact CG1-CG 4.04Å; I88-W120 HydrophobicContact CD1-CH2 4.03Å; I88-W120 HydrophobicContact CD1-CZ2 3.52Å; I88-W120 HydrophobicContact CG2-CZ2 4.26Å; I88-F140 HydrophobicContact CD1-CZ 4.14Å; I88-F140 HydrophobicContact CG1-CZ 4.47Å; I88-F140 HydrophobicContact CG2-CE2 4.45Å; I88-F140 HydrophobicContact CG2-CZ 3.92Å; I88-V144 HydrophobicContact CD1-CG2 4.42Å
89	R	95.9	Very high	84.5	Confident	78 Å²	78	65.4 Å²	65.4	29%	0.294	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.5	174.3	-177	176.5	176.5	-83	-0.1	110.1	V42 T43 Y45 E91 V98 L100	V42-R89 CarbonylContact C-O 3.59Å; V42-R89 WeakPolarHBondContact CA-O 3.1Å; T43-R89 PolarHBondContact N-O 2.69Å; T43-R89 PolarHBondContact O-N 2.65Å; Y45-R89 HydrophobicContact CE1-CB 3.52Å; R89-E91 IonicContact CZ-OE2 3.63Å; R89-E91 VanDerWaalsContact CZ-OE2 3.31Å; R89-E91 IonicContact NH1-OE2 3.99Å; R89-E91 PolarHBondContact NH1-OE2 3.04Å; R89-E91 IonicContact NH2-OE2 3.24Å; R89-E91 PolarHBondContact NH2-OE2 2.73Å; R89-V98 HydrophobicContact CG-CG1 4.21Å; R89-L100 CarbonylContact C-O 3.3Å; R89-L100 WeakPolarHBondContact CA-O 3.32Å
90	G	96.3	Very high	86.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109	175.3	0	0	0	0	0	111	C41 V99 L100	C41-G90 WeakPolarHBondContact O-CA 3.25Å; G90-V99 WeakPolarHBondContact O-CG2 3.44Å; G90-V99 PolarHBondContact O-N 3.43Å; G90-L100 PolarHBondContact N-O 2.99Å; G90-L100 PolarHBondContact O-N 2.87Å
91	E	96.6	Very high	89.4	Confident	39 Å²	39	61 Å²	61	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.3	178.4	-173.5	-172.7	107.2	0	0	110	S40 C41 R89 L93 K96	S40-E91 CarbonylContact C-O 3.48Å; S40-E91 VanDerWaalsContact CA-O 3.22Å; S40-E91 WeakPolarHBondContact CA-O 3.09Å; S40-E91 WeakPolarHBondContact CB-O 3.33Å; C41-E91 PolarHBondContact N-O 2.81Å; C41-E91 PolarHBondContact O-N 3.09Å; R89-E91 IonicContact CZ-OE2 3.63Å; R89-E91 VanDerWaalsContact CZ-OE2 3.31Å; R89-E91 IonicContact NH1-OE2 3.99Å; R89-E91 PolarHBondContact NH1-OE2 3.04Å; R89-E91 IonicContact NH2-OE2 3.24Å; R89-E91 PolarHBondContact NH2-OE2 2.73Å; E91-L93 PolarHBondContact O-N 2.94Å; E91-K96 WeakPolarHBondContact CG-O 3.41Å; E91-K96 WeakPolarHBondContact OE1-CD 3.1Å; E91-K96 IonicContact OE1-NZ 3.13Å
92	R	96.5	Very high	91.3	Very high	34 Å²	34	56.2 Å²	56.2	13%	0.128	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.1	-177.8	-177.8	162.2	65.3	-168.3	-6.3	111.2	G35 G37 S40 K94 D95 K96 L97 V99	G35-R92 PolarHBondContact O-NH1 3.2Å; G37-R92 WeakPolarHBondContact O-CD 3.19Å; G37-R92 PolarHBondContact O-NH1 2.79Å; S40-R92 WeakPolarHBondContact OG-CA 3.47Å; R92-K94 VanDerWaalsContact C-N 3.29Å; R92-K94 HydrophobicContact CG-CB 4.34Å; R92-K94 PolarHBondContact O-N 3.5Å; R92-D95 WeakPolarHBondContact CB-OD1 3.49Å; R92-D95 WeakPolarHBondContact CG-OD1 3.46Å; R92-D95 IonicContact CZ-OD1 2.98Å; R92-D95 IonicContact CZ-OD2 3.71Å; R92-D95 IonicContact NE-OD1 2.67Å; R92-D95 PolarHBondContact NE-OD1 2.95Å; R92-D95 IonicContact NE-OD2 2.97Å; R92-D95 PolarHBondContact NE-OD2 2.67Å; R92-D95 IonicContact NH2-OD1 3.83Å; R92-D95 IonicContact NH2-OD2 3.5Å; R92-D95 PolarHBondContact NH2-OD2 3.43Å; R92-K96 VanDerWaalsContact O-CA 3.28Å; R92-K96 WeakPolarHBondContact O-CA 3.22Å; R92-K96 PolarHBondContact O-N 3.17Å; R92-L97 PolarHBondContact N-O 2.75Å; R92-V99 HydrophobicContact CB-CG1 4.12Å; R92-V99 HydrophobicContact CB-CG2 4.42Å
93	L	95.3	Very high	93	Very high	63 Å²	63	53.9 Å²	53.9	33%	0.33	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.1	-173	-65.6	174.3	0	0	0	113.7	R18 L39 C41 E91	R18-L93 HydrophobicContact CG-CD1 4.18Å; R18-L93 VanDerWaalsContact NE-CD1 3.28Å; L39-L93 HydrophobicContact CB-CD1 3.83Å; L39-L93 WeakPolarHBondContact O-CB 3.15Å; L39-L93 WeakPolarHBondContact O-CG 3.14Å; L39-L93 PolarHBondContact O-N 2.84Å; C41-L93 HydrophobicContact CB-CD2 3.85Å; E91-L93 PolarHBondContact O-N 2.94Å
94	K	94.8	Very high	94	Very high	193 Å²	193	51.5 Å²	51.5	84%	0.839	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-41.5	-174.5	-176.7	-179.1	176.9	-175.7	0	112.9	R92	R92-K94 VanDerWaalsContact C-N 3.29Å; R92-K94 HydrophobicContact CG-CB 4.34Å; R92-K94 PolarHBondContact O-N 3.5Å
95	D	95.8	Very high	94.2	Very high	74 Å²	74	53 Å²	53	40%	0.396	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	5.2	-164.6	60.9	-18.7	0	0	0	113.4	R92 L97	R92-D95 WeakPolarHBondContact CB-OD1 3.49Å; R92-D95 WeakPolarHBondContact CG-OD1 3.46Å; R92-D95 IonicContact CZ-OD1 2.98Å; R92-D95 IonicContact CZ-OD2 3.71Å; R92-D95 IonicContact NE-OD1 2.67Å; R92-D95 PolarHBondContact NE-OD1 2.95Å; R92-D95 IonicContact NE-OD2 2.97Å; R92-D95 PolarHBondContact NE-OD2 2.67Å; R92-D95 IonicContact NH2-OD1 3.83Å; R92-D95 IonicContact NH2-OD2 3.5Å; R92-D95 PolarHBondContact NH2-OD2 3.43Å; D95-L97 PolarHBondContact O-N 3.39Å; D95-L97 VanDerWaalsContact O-N 3.13Å
96	K	94.8	Very high	94	Very high	138 Å²	138	58.4 Å²	58.4	60%	0.6	27%	0.272	S	S	*	.			trans	62.1	15.6	178.5	-55.5	-66	-176.9	170.7	0	114.6	E91 R92	E91-K96 WeakPolarHBondContact CG-O 3.41Å; E91-K96 WeakPolarHBondContact OE1-CD 3.1Å; E91-K96 IonicContact OE1-NZ 3.13Å; R92-K96 VanDerWaalsContact O-CA 3.28Å; R92-K96 WeakPolarHBondContact O-CA 3.22Å; R92-K96 PolarHBondContact O-N 3.17Å
97	L	94.9	Very high	93.6	Very high	88 Å²	88	63.6 Å²	63.6	46%	0.461	30%	0.3	S	S	.	.			trans	-73.1	129.3	177.6	-177.2	62.6	0	0	0	110.8	R92 D95 V99	R92-L97 PolarHBondContact N-O 2.75Å; D95-L97 PolarHBondContact O-N 3.39Å; D95-L97 VanDerWaalsContact O-N 3.13Å; L97-V99 HydrophobicContact CD2-CG1 4.2Å; L97-V99 HydrophobicContact CG-CG1 4.19Å; L97-V99 PolarHBondContact O-N 2.89Å
98	V	95.9	Very high	93.4	Very high	51 Å²	51	63.1 Å²	63.1	31%	0.309	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	110.8	167.7	-176.5	0	0	0	0	108.1	R89 L100 E101	R89-V98 HydrophobicContact CG-CG1 4.21Å; V98-L100 WeakPolarHBondContact CG1-O 3.49Å; V98-E101 HydrophobicContact CG1-CB 4.04Å
99	V	95	Very high	93	Very high	21 Å²	21	67.4 Å²	67.4	13%	0.127	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-17	179.3	-66.2	0	0	0	0	112.4	V21 L34 S40 G90 R92 L97	V21-V99 HydrophobicContact CB-CG2 4.3Å; V21-V99 HydrophobicContact CG2-CG2 3.93Å; L34-V99 WeakPolarHBondContact CD2-O 3.37Å; S40-V99 WeakPolarHBondContact OG-CG2 3.28Å; G90-V99 WeakPolarHBondContact O-CG2 3.44Å; G90-V99 PolarHBondContact O-N 3.43Å; R92-V99 HydrophobicContact CB-CG1 4.12Å; R92-V99 HydrophobicContact CB-CG2 4.42Å; L97-V99 HydrophobicContact CD2-CG1 4.2Å; L97-V99 HydrophobicContact CG-CG1 4.19Å; L97-V99 PolarHBondContact O-N 2.89Å
100	L	94.8	Very high	92.8	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.7	175.4	178.3	65.2	0	0	0	109.1	V21 V42 I88 R89 G90 V98 W120 F127 L129	V21-L100 HydrophobicContact CG1-CB 4Å; V21-L100 HydrophobicContact CG1-CD1 4.46Å; V21-L100 HydrophobicContact CG1-CD2 4.22Å; V21-L100 HydrophobicContact CG1-CG 4.47Å; V21-L100 HydrophobicContact CG2-CB 4.16Å; V21-L100 HydrophobicContact CG2-CD2 4.35Å; V42-L100 HydrophobicContact CG1-CD2 4.26Å; I88-L100 HydrophobicContact CG2-CD2 3.84Å; R89-L100 CarbonylContact C-O 3.3Å; R89-L100 WeakPolarHBondContact CA-O 3.32Å; G90-L100 PolarHBondContact N-O 2.99Å; G90-L100 PolarHBondContact O-N 2.87Å; V98-L100 WeakPolarHBondContact CG1-O 3.49Å; L100-W120 HydrophobicContact CD2-CH2 4.49Å; L100-W120 HydrophobicContact CD2-CZ2 4.19Å; L100-F127 HydrophobicContact CD1-CB 4.3Å; L100-F127 HydrophobicContact CD1-CD1 3.5Å; L100-F127 VanDerWaalsContact CD1-CD1 3.5Å; L100-F127 HydrophobicContact CD1-CE1 3.89Å; L100-F127 HydrophobicContact CD1-CG 3.91Å; L100-L129 HydrophobicContact CD2-CD2 4.35Å
101	E	94.2	Very high	92.6	Very high	117 Å²	117	68.7 Å²	68.7	55%	0.547	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	116.9	168.7	-172.5	155.9	-136.4	0	0	107.4	I88 V98	I88-E101 WeakPolarHBondContact O-CA 3.44Å; V98-E101 HydrophobicContact CG1-CB 4.04Å
102	C	91.8	Very high	92.3	Very high	11 Å²	11	71.9 Å²	71.9	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.9	178.9	62.8	0	0	0	0	112	I88 I122	I88-C102 PolarHBondContact N-O 3.18Å; I88-C102 PolarHBondContact O-N 2.63Å; C102-I122 HydrophobicContact CB-CD1 3.65Å; C102-I122 WeakPolarHBondContact SG-CD1 3.31Å
103	V	92.6	Very high	91.9	Very high	52 Å²	52	74.7 Å²	74.7	32%	0.315	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.5	175.2	179.5	0	0	0	0	109.6	E85 I122	E85-V103 HydrophobicContact CG-CG1 3.65Å; E85-V103 HydrophobicContact CG-CG2 4.39Å; E85-V103 WeakPolarHBondContact OE1-CG1 3.37Å; E85-V103 VanDerWaalsContact OE1-CG2 3.25Å; E85-V103 WeakPolarHBondContact OE1-CG2 3.38Å; V103-I122 WeakPolarHBondContact O-CD1 3.07Å
104	L	91.8	Very high	91.5	Very high	9 Å²	9	74.6 Å²	74.6	5%	0.047	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-74.7	127.2	172.6	-80.1	172.9	0	0	0	110.5	V44 F86 I88 L108 V144 A147 I151	V44-L104 HydrophobicContact CG1-CD1 3.78Å; F86-L104 HydrophobicContact CB-CB 4.02Å; F86-L104 HydrophobicContact CB-CD1 3.95Å; F86-L104 PolarHBondContact O-N 2.91Å; I88-L104 HydrophobicContact CD1-CD2 3.8Å; I88-L104 HydrophobicContact CD1-CG 4.31Å; I88-L104 HydrophobicContact CG1-CD1 4.28Å; I88-L104 HydrophobicContact CG1-CD2 4.1Å; I88-L104 HydrophobicContact CG1-CG 4.04Å; L104-L108 HydrophobicContact CD2-CD2 3.65Å; L104-V144 HydrophobicContact CD2-CG1 4.31Å; L104-A147 HydrophobicContact CD1-CB 3.77Å; L104-I151 HydrophobicContact CB-CD1 3.98Å
105	Q	88.8	Confident	91.3	Very high	66 Å²	66	66.9 Å²	66.9	31%	0.308	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-98	150.3	172.2	-69.8	170.6	-25.9	0	0	109.6	D107 L108 N123	Q105-D107 PolarHBondContact O-N 3.2Å; Q105-L108 WeakPolarHBondContact O-CB 3.4Å; Q105-L108 PolarHBondContact O-N 3.29Å; Q105-N123 PolarHBondContact NE2-OD1 3.29Å
106	R	86.1	Confident	91.3	Very high	159 Å²	159	66.5 Å²	66.5	60%	0.6	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.3	-179.6	43.1	-175.2	179	76.6	6.6	113.5	I151 N152	R106-I151 HydrophobicContact CB-CG2 3.82Å; R106-N152 WeakPolarHBondContact CB-OD1 3.48Å
107	D	84.9	Confident	91.3	Very high	113 Å²	113	60.8 Å²	60.8	60%	0.604	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	26	177.8	53.3	-34.5	0	0	0	112.7	Q105 V109	Q105-D107 PolarHBondContact O-N 3.2Å; D107-V109 PolarHBondContact O-N 3.13Å; D107-V109 VanDerWaalsContact O-N 3.14Å
108	L	88.8	Confident	91.4	Very high	17 Å²	17	57 Å²	57	9%	0.089	29%	0.29	C	S	.	.			trans	-61.7	114.3	178	-174.6	81.3	0	0	0	112.2	L104 Q105 Y110 W120 I122 V144 I148	L104-L108 HydrophobicContact CD2-CD2 3.65Å; Q105-L108 WeakPolarHBondContact O-CB 3.4Å; Q105-L108 PolarHBondContact O-N 3.29Å; L108-Y110 HydrophobicContact CD2-CD2 4.14Å; L108-Y110 PolarHBondContact O-N 2.74Å; L108-W120 HydrophobicContact CD1-CB 4.01Å; L108-W120 HydrophobicContact CD1-CG 4.12Å; L108-W120 HydrophobicContact CD2-CB 4.27Å; L108-W120 HydrophobicContact CD2-CG 4.37Å; L108-W120 HydrophobicContact CG-CB 4.18Å; L108-I122 HydrophobicContact CD1-CD1 3.93Å; L108-I122 HydrophobicContact CD1-CG1 3.49Å; L108-I122 VanDerWaalsContact CD1-CG1 3.49Å; L108-V144 HydrophobicContact CD2-CG1 4.05Å; L108-I148 HydrophobicContact CB-CD1 4.07Å; L108-I148 HydrophobicContact CD2-CD1 4.14Å
109	V	88.8	Confident	91.4	Very high	90 Å²	90	55.9 Å²	55.9	55%	0.545	28%	0.282	S	S	.	.			trans	-75.5	104.6	168.9	-174.5	0	0	0	0	109.7	D107 W120	D107-V109 PolarHBondContact O-N 3.13Å; D107-V109 VanDerWaalsContact O-N 3.14Å; V109-W120 VanDerWaalsContact O-CA 3.28Å; V109-W120 WeakPolarHBondContact O-CA 3.5Å; V109-W120 VanDerWaalsContact O-CB 3.29Å; V109-W120 WeakPolarHBondContact O-CB 3.41Å
110	Y	91.8	Very high	91.4	Very high	38 Å²	38	54.9 Å²	54.9	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.6	-177.8	-171.2	-87.5	0	0	0	111.8	L108 K112 H118 W120 F140 D141 V144	L108-Y110 HydrophobicContact CD2-CD2 4.14Å; L108-Y110 PolarHBondContact O-N 2.74Å; Y110-K112 HydrophobicContact CD1-CG 4.2Å; Y110-K112 HydrophobicContact CE1-CG 3.99Å; Y110-H118 HydrophobicContact CE1-CB 3.94Å; Y110-H118 AromaticContact CE1-CG 3.99Å; Y110-H118 AromaticContact CE1-ND1 3.59Å; Y110-H118 HydrophobicContact CE2-CB 4.49Å; Y110-H118 AromaticContact CZ-ND1 3.61Å; Y110-H118 WeakPolarHBondContact OH-CB 3.42Å; Y110-H118 PolarHBondContact OH-ND1 2.58Å; Y110-W120 HydrophobicContact CD2-CB 4.2Å; Y110-W120 HydrophobicContact CD2-CD2 4.35Å; Y110-W120 AromaticContact CD2-CE3 3.85Å; Y110-W120 HydrophobicContact CD2-CE3 3.85Å; Y110-W120 HydrophobicContact CE2-CD2 4.38Å; Y110-W120 AromaticContact CE2-CE3 3.52Å; Y110-W120 HydrophobicContact CE2-CE3 3.52Å; Y110-W120 AromaticContact CE2-CZ3 3.9Å; Y110-W120 HydrophobicContact CE2-CZ3 3.9Å; Y110-F140 HydrophobicContact CE2-CE1 4.37Å; Y110-F140 WeakPolarHBondContact OH-CD1 3.49Å; Y110-D141 HydrophobicContact CE1-CB 4.32Å; Y110-V144 HydrophobicContact CD2-CG1 4.07Å; Y110-V144 HydrophobicContact CE2-CG1 4.29Å; Y110-V144 HydrophobicContact CE2-CG2 4.18Å
111	N	90.6	Very high	91.1	Very high	67 Å²	67	61.2 Å²	61.2	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.5	-173.2	-57.9	-51.2	0	0	0	111.9	H118 H119	N111-H118 CarbonylContact O-C 3.47Å; N111-H118 VanDerWaalsContact O-CA 3.24Å; N111-H118 WeakPolarHBondContact O-CA 3.43Å; N111-H118 WeakPolarHBondContact O-CB 3.36Å; N111-H119 PolarHBondContact N-O 3Å; N111-H119 PolarHBondContact ND2-CE1 2.87Å; N111-H119 VanDerWaalsContact ND2-CE1 3.35Å; N111-H119 PolarHBondContact O-N 2.93Å
112	K	91.6	Very high	90.8	Very high	106 Å²	106	56.1 Å²	56.1	46%	0.461	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	76.4	-176.6	-55.9	177.6	-159.3	178.1	0	110.1	Y110 N114 D141	Y110-K112 HydrophobicContact CD1-CG 4.2Å; Y110-K112 HydrophobicContact CE1-CG 3.99Å; K112-N114 VanDerWaalsContact C-N 3.34Å; K112-N114 PolarHBondContact O-N 2.87Å; K112-D141 VanDerWaalsContact CE-CG 3.47Å; K112-D141 WeakPolarHBondContact CE-OD1 3.3Å; K112-D141 IonicContact NZ-OD1 3.4Å; K112-D141 PolarHBondContact NZ-OD1 3.21Å; K112-D141 IonicContact NZ-OD2 3.45Å; K112-D141 PolarHBondContact NZ-OD2 2.71Å
113	V	86.4	Confident	90.3	Very high	93 Å²	93	61 Å²	61	56%	0.564	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	-33.3	-171.7	175.5	0	0	0	0	112.7	F117 H119	V113-F117 HydrophobicContact CB-CD1 4.11Å; V113-F117 HydrophobicContact CG1-CD1 4.47Å; V113-F117 PolarHBondContact N-O 2.99Å; V113-F117 VanDerWaalsContact N-O 3.17Å; V113-H119 WeakPolarHBondContact CG2-CD2 3.44Å; V113-H119 VanDerWaalsContact CG2-NE2 3.31Å; V113-H119 WeakPolarHBondContact CG2-NE2 3.23Å
114	N	88.6	Confident	89.9	Confident	60 Å²	60	65.2 Å²	65.2	32%	0.321	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	169.9	168.1	72	52.6	0	0	0	110.6	K112 I116 F117	K112-N114 VanDerWaalsContact C-N 3.34Å; K112-N114 PolarHBondContact O-N 2.87Å; N114-I116 PolarHBondContact O-N 2.78Å; N114-I116 VanDerWaalsContact OD1-CG1 3.24Å; N114-I116 WeakPolarHBondContact OD1-CG1 3.44Å; N114-I116 PolarHBondContact OD1-N 3.44Å; N114-F117 PolarHBondContact N-O 2.89Å; N114-F117 WeakPolarHBondContact ND2-CB 3.39Å; N114-F117 PolarHBondContact O-N 2.79Å; N114-F117 WeakPolarHBondContact OD1-CB 3.32Å; N114-F117 PolarHBondContact OD1-N 2.82Å
115	P	89.6	Confident	89.6	Confident	31 Å²	31	71.7 Å²	71.7	20%	0.201	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.4	-174.8	-28.8	36.9	0	0	0	116.5	P134 A137 Y248 P251	P115-P134 HydrophobicContact CB-CB 4.11Å; P115-P134 HydrophobicContact CB-CG 4.13Å; P115-P134 WeakPolarHBondContact O-CA 3.36Å; P115-A137 WeakPolarHBondContact O-CB 3.4Å; P115-Y248 WeakPolarHBondContact CD-O 3.47Å; P115-Y248 WeakPolarHBondContact CG-O 3.14Å; P115-P251 HydrophobicContact CB-CG 4.48Å; P115-P251 HydrophobicContact CG-CG 4.5Å
116	I	95.3	Very high	89.7	Confident	67 Å²	67	70.3 Å²	70.3	34%	0.344	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	8.2	178.7	62.2	170.4	0	0	0	112.7	N114 T130 F131 P134	N114-I116 PolarHBondContact O-N 2.78Å; N114-I116 VanDerWaalsContact OD1-CG1 3.24Å; N114-I116 WeakPolarHBondContact OD1-CG1 3.44Å; N114-I116 PolarHBondContact OD1-N 3.44Å; I116-T130 CarbonylContact O-C 3.57Å; I116-T130 VanDerWaalsContact O-CA 3.27Å; I116-T130 WeakPolarHBondContact O-CA 3.41Å; I116-F131 WeakPolarHBondContact O-CD2 3.4Å; I116-F131 PolarHBondContact O-N 3.31Å; I116-P134 HydrophobicContact CG2-CG 3.92Å
117	F	96.1	Very high	90.2	Very high	18 Å²	18	64 Å²	64	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	105.4	178.7	-173.9	-112.3	0	0	0	111.2	M22 W31 V113 N114 H119 L129	M22-F117 HydrophobicContact CB-CE2 4.12Å; M22-F117 HydrophobicContact CG-CE2 3.9Å; W31-F117 AromaticContact CD1-CE1 3.98Å; W31-F117 HydrophobicContact CD2-CE1 4.11Å; W31-F117 AromaticContact CD2-CZ 3.51Å; W31-F117 HydrophobicContact CD2-CZ 3.51Å; W31-F117 AromaticContact CE2-CE1 3.83Å; W31-F117 AromaticContact CE2-CZ 3.63Å; W31-F117 AromaticContact CE3-CZ 3.84Å; W31-F117 HydrophobicContact CE3-CZ 3.84Å; W31-F117 HydrophobicContact CG-CE1 4.22Å; W31-F117 AromaticContact CG-CZ 3.83Å; W31-F117 HydrophobicContact CG-CZ 3.83Å; W31-F117 HydrophobicContact CH2-CZ 4.42Å; W31-F117 HydrophobicContact CZ2-CE1 4.34Å; W31-F117 HydrophobicContact CZ2-CZ 4.11Å; W31-F117 HydrophobicContact CZ3-CZ 4.28Å; W31-F117 AromaticContact NE1-CE1 3.72Å; W31-F117 AromaticContact NE1-CZ 3.93Å; V113-F117 HydrophobicContact CB-CD1 4.11Å; V113-F117 HydrophobicContact CG1-CD1 4.47Å; V113-F117 PolarHBondContact N-O 2.99Å; V113-F117 VanDerWaalsContact N-O 3.17Å; N114-F117 PolarHBondContact N-O 2.89Å; N114-F117 WeakPolarHBondContact ND2-CB 3.39Å; N114-F117 PolarHBondContact O-N 2.79Å; N114-F117 WeakPolarHBondContact OD1-CB 3.32Å; N114-F117 PolarHBondContact OD1-N 2.82Å; F117-H119 HydrophobicContact CE1-CB 4.43Å; F117-H119 AromaticContact CE1-CD2 3.92Å; F117-H119 HydrophobicContact CZ-CB 4.21Å; F117-L129 WeakPolarHBondContact CA-O 3.01Å; F117-L129 WeakPolarHBondContact CD2-O 3.29Å
118	H	96.4	Very high	90.7	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.032	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.3	173.5	-55.2	170.9	0	0	0	109.4	Y110 N111 G128 L129 F131 A137	Y110-H118 HydrophobicContact CE1-CB 3.94Å; Y110-H118 AromaticContact CE1-CG 3.99Å; Y110-H118 AromaticContact CE1-ND1 3.59Å; Y110-H118 HydrophobicContact CE2-CB 4.49Å; Y110-H118 AromaticContact CZ-ND1 3.61Å; Y110-H118 WeakPolarHBondContact OH-CB 3.42Å; Y110-H118 PolarHBondContact OH-ND1 2.58Å; N111-H118 CarbonylContact O-C 3.47Å; N111-H118 VanDerWaalsContact O-CA 3.24Å; N111-H118 WeakPolarHBondContact O-CA 3.43Å; N111-H118 WeakPolarHBondContact O-CB 3.36Å; H118-G128 CarbonylContact O-C 3.6Å; H118-G128 VanDerWaalsContact O-CA 3.32Å; H118-G128 WeakPolarHBondContact O-CA 3.36Å; H118-L129 PolarHBondContact N-O 3.17Å; H118-L129 PolarHBondContact O-N 3.03Å; H118-F131 HydrophobicContact CB-CE2 3.92Å; H118-F131 HydrophobicContact CB-CZ 4.49Å; H118-F131 AromaticContact CG-CE2 3.69Å; H118-F131 AromaticContact ND1-CE2 3.69Å; H118-A137 PolarHBondContact CE1-O 2.8Å
119	H	94.9	Very high	91.1	Very high	29 Å²	29	57.8 Å²	57.8	13%	0.134	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.2	177.7	73.9	78.8	0	0	0	113.1	W31 N111 V113 F117 F127	W31-H119 HydrophobicContact CH2-CB 3.41Å; W31-H119 VanDerWaalsContact CH2-CB 3.41Å; W31-H119 AromaticContact CH2-CG 3.69Å; W31-H119 HydrophobicContact CZ2-CB 3.61Å; W31-H119 AromaticContact CZ2-CD2 3.6Å; W31-H119 AromaticContact CZ2-CG 3.4Å; W31-H119 AromaticContact CZ2-ND1 3.75Å; W31-H119 HydrophobicContact CZ3-CB 4.24Å; N111-H119 PolarHBondContact N-O 3Å; N111-H119 PolarHBondContact ND2-CE1 2.87Å; N111-H119 VanDerWaalsContact ND2-CE1 3.35Å; N111-H119 PolarHBondContact O-N 2.93Å; V113-H119 WeakPolarHBondContact CG2-CD2 3.44Å; V113-H119 VanDerWaalsContact CG2-NE2 3.31Å; V113-H119 WeakPolarHBondContact CG2-NE2 3.23Å; F117-H119 HydrophobicContact CE1-CB 4.43Å; F117-H119 AromaticContact CE1-CD2 3.92Å; F117-H119 HydrophobicContact CZ-CB 4.21Å; H119-F127 CarbonylContact C-O 3.55Å; H119-F127 VanDerWaalsContact CA-O 3.24Å; H119-F127 WeakPolarHBondContact CA-O 3.44Å; H119-F127 VanDerWaalsContact CB-O 3.26Å; H119-F127 WeakPolarHBondContact CB-O 3.11Å
120	W	94.7	Very high	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	166.6	179.7	60	89.8	0	0	0	110.8	I88 L100 L108 V109 Y110 F127 L129 F140	I88-W120 HydrophobicContact CD1-CH2 4.03Å; I88-W120 HydrophobicContact CD1-CZ2 3.52Å; I88-W120 HydrophobicContact CG2-CZ2 4.26Å; L100-W120 HydrophobicContact CD2-CH2 4.49Å; L100-W120 HydrophobicContact CD2-CZ2 4.19Å; L108-W120 HydrophobicContact CD1-CB 4.01Å; L108-W120 HydrophobicContact CD1-CG 4.12Å; L108-W120 HydrophobicContact CD2-CB 4.27Å; L108-W120 HydrophobicContact CD2-CG 4.37Å; L108-W120 HydrophobicContact CG-CB 4.18Å; V109-W120 VanDerWaalsContact O-CA 3.28Å; V109-W120 WeakPolarHBondContact O-CA 3.5Å; V109-W120 VanDerWaalsContact O-CB 3.29Å; V109-W120 WeakPolarHBondContact O-CB 3.41Å; Y110-W120 HydrophobicContact CD2-CB 4.2Å; Y110-W120 HydrophobicContact CD2-CD2 4.35Å; Y110-W120 AromaticContact CD2-CE3 3.85Å; Y110-W120 HydrophobicContact CD2-CE3 3.85Å; Y110-W120 HydrophobicContact CE2-CD2 4.38Å; Y110-W120 AromaticContact CE2-CE3 3.52Å; Y110-W120 HydrophobicContact CE2-CE3 3.52Å; Y110-W120 AromaticContact CE2-CZ3 3.9Å; Y110-W120 HydrophobicContact CE2-CZ3 3.9Å; W120-F127 HydrophobicContact CZ2-CB 4.18Å; W120-F127 PolarHBondContact N-O 2.82Å; W120-F127 PolarHBondContact O-N 2.67Å; W120-F127 VanDerWaalsContact O-O 3.12Å; W120-L129 HydrophobicContact CH2-CD1 3.71Å; W120-L129 HydrophobicContact CH2-CD2 4.43Å; W120-L129 HydrophobicContact CH2-CG 3.66Å; W120-L129 HydrophobicContact CZ3-CD1 3.98Å; W120-L129 HydrophobicContact CZ3-CG 3.88Å; W120-F140 HydrophobicContact CH2-CE1 4.01Å; W120-F140 HydrophobicContact CH2-CZ 4.21Å; W120-F140 HydrophobicContact CZ3-CE1 4.01Å
121	R	89.8	Confident	91.8	Very high	136 Å²	136	54.2 Å²	54.2	51%	0.513	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.1	173.1	173.6	-174	-87.3	150.9	-15.1	108.6	N123 K125 K126	R121-N123 VanDerWaalsContact CD-O 3.29Å; R121-N123 WeakPolarHBondContact CD-O 3.45Å; R121-N123 WeakPolarHBondContact CG-O 3.27Å; R121-K125 WeakPolarHBondContact CA-O 3.42Å; R121-K126 VanDerWaalsContact NH2-CE 3.32Å
122	I	87.3	Confident	91.9	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.1	168	-71.3	159.9	0	0	0	106.9	C102 V103 L108 D124 K125 F127	C102-I122 HydrophobicContact CB-CD1 3.65Å; C102-I122 WeakPolarHBondContact SG-CD1 3.31Å; V103-I122 WeakPolarHBondContact O-CD1 3.07Å; L108-I122 HydrophobicContact CD1-CD1 3.93Å; L108-I122 HydrophobicContact CD1-CG1 3.49Å; L108-I122 VanDerWaalsContact CD1-CG1 3.49Å; I122-D124 PolarHBondContact O-N 3.38Å; I122-K125 PolarHBondContact N-O 2.92Å; I122-K125 PolarHBondContact O-N 2.78Å; I122-K125 VanDerWaalsContact O-N 3.11Å; I122-F127 HydrophobicContact CB-CE2 4.44Å
123	N	82.3	Confident	91.9	Very high	113 Å²	113	52 Å²	52	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-131.4	-165.3	-46.9	-43.2	0	0	0	109.3	Q105 R121	Q105-N123 PolarHBondContact NE2-OD1 3.29Å; R121-N123 VanDerWaalsContact CD-O 3.29Å; R121-N123 WeakPolarHBondContact CD-O 3.45Å; R121-N123 WeakPolarHBondContact CG-O 3.27Å
124	D	82.5	Confident	92.1	Very high	141 Å²	141	49.3 Å²	49.3	75%	0.754	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.3	178.2	-56.5	-57.8	0	0	0	114.5	I122	I122-D124 PolarHBondContact O-N 3.38Å
125	K	86.3	Confident	92.2	Very high	144 Å²	144	46.8 Å²	46.8	63%	0.626	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.8	-173.8	-65.8	-177.9	-177.4	177	0	111.8	R121 I122 F127	R121-K125 WeakPolarHBondContact CA-O 3.42Å; I122-K125 PolarHBondContact N-O 2.92Å; I122-K125 PolarHBondContact O-N 2.78Å; I122-K125 VanDerWaalsContact O-N 3.11Å; K125-F127 HydrophobicContact CB-CD2 4.38Å; K125-F127 HydrophobicContact CB-CE1 4.5Å; K125-F127 HydrophobicContact CB-CE2 3.56Å; K125-F127 HydrophobicContact CB-CZ 3.65Å; K125-F127 HydrophobicContact CD-CZ 4.01Å; K125-F127 HydrophobicContact CG-CZ 4.47Å
126	K	91.6	Very high	92.4	Very high	38 Å²	38	45.9 Å²	45.9	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.6	177	-67.8	171.6	-173	162.8	0	110.1	T23 R24 D26 W31 R121	T23-K126 WeakPolarHBondContact CA-O 3.16Å; R24-K126 HydrophobicContact CB-CB 3.88Å; R24-K126 HydrophobicContact CB-CD 4.09Å; R24-K126 HydrophobicContact CG-CD 4.4Å; R24-K126 PolarHBondContact N-O 3.47Å; D26-K126 IonicContact OD1-NZ 3.79Å; D26-K126 PolarHBondContact OD1-NZ 2.98Å; D26-K126 IonicContact OD2-NZ 2.65Å; W31-K126 HydrophobicContact CH2-CB 4.05Å; W31-K126 HydrophobicContact CZ3-CB 4.47Å; R121-K126 VanDerWaalsContact NH2-CE 3.32Å
127	F	95	Very high	92.3	Very high	26 Å²	26	42.8 Å²	42.8	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.4	179	-58.7	-77.7	0	0	0	110.1	L100 H119 W120 I122 K125	L100-F127 HydrophobicContact CD1-CB 4.3Å; L100-F127 HydrophobicContact CD1-CD1 3.5Å; L100-F127 VanDerWaalsContact CD1-CD1 3.5Å; L100-F127 HydrophobicContact CD1-CE1 3.89Å; L100-F127 HydrophobicContact CD1-CG 3.91Å; H119-F127 CarbonylContact C-O 3.55Å; H119-F127 VanDerWaalsContact CA-O 3.24Å; H119-F127 WeakPolarHBondContact CA-O 3.44Å; H119-F127 VanDerWaalsContact CB-O 3.26Å; H119-F127 WeakPolarHBondContact CB-O 3.11Å; W120-F127 HydrophobicContact CZ2-CB 4.18Å; W120-F127 PolarHBondContact N-O 2.82Å; W120-F127 PolarHBondContact O-N 2.67Å; W120-F127 VanDerWaalsContact O-O 3.12Å; I122-F127 HydrophobicContact CB-CE2 4.44Å; K125-F127 HydrophobicContact CB-CD2 4.38Å; K125-F127 HydrophobicContact CB-CE1 4.5Å; K125-F127 HydrophobicContact CB-CE2 3.56Å; K125-F127 HydrophobicContact CB-CZ 3.65Å; K125-F127 HydrophobicContact CD-CZ 4.01Å; K125-F127 HydrophobicContact CG-CZ 4.47Å
128	G	96.1	Very high	92.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.5	176	0	0	0	0	0	112.2	M22 H118	M22-G128 PolarHBondContact N-O 3.39Å; M22-G128 PolarHBondContact O-N 2.97Å; H118-G128 CarbonylContact O-C 3.6Å; H118-G128 VanDerWaalsContact O-CA 3.32Å; H118-G128 WeakPolarHBondContact O-CA 3.36Å
129	L	97.9	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.4	174.7	-67	-178.5	0	0	0	110.1	A19 V20 V21 V42 L100 F117 H118 W120 F131 F140	A19-L129 HydrophobicContact CB-CB 4.16Å; A19-L129 HydrophobicContact CB-CD2 4.24Å; V20-L129 WeakPolarHBondContact O-CA 3.4Å; V21-L129 HydrophobicContact CB-CD2 4.45Å; V21-L129 HydrophobicContact CG2-CD2 3.93Å; V42-L129 HydrophobicContact CB-CD1 4.47Å; V42-L129 HydrophobicContact CG1-CD1 4.06Å; V42-L129 HydrophobicContact CG1-CD2 4.35Å; V42-L129 HydrophobicContact CG2-CD2 3.93Å; L100-L129 HydrophobicContact CD2-CD2 4.35Å; F117-L129 WeakPolarHBondContact CA-O 3.01Å; F117-L129 WeakPolarHBondContact CD2-O 3.29Å; H118-L129 PolarHBondContact N-O 3.17Å; H118-L129 PolarHBondContact O-N 3.03Å; W120-L129 HydrophobicContact CH2-CD1 3.71Å; W120-L129 HydrophobicContact CH2-CD2 4.43Å; W120-L129 HydrophobicContact CH2-CG 3.66Å; W120-L129 HydrophobicContact CZ3-CD1 3.98Å; W120-L129 HydrophobicContact CZ3-CG 3.88Å; L129-F131 HydrophobicContact CB-CD2 4.48Å; L129-F131 HydrophobicContact CB-CE1 3.99Å; L129-F131 HydrophobicContact CB-CE2 3.89Å; L129-F131 HydrophobicContact CB-CZ 3.62Å; L129-F131 HydrophobicContact CD1-CE1 3.75Å; L129-F131 HydrophobicContact CD1-CZ 3.72Å; L129-F131 HydrophobicContact CG-CZ 4.33Å; L129-F140 HydrophobicContact CD1-CD1 3.92Å; L129-F140 HydrophobicContact CD1-CD2 4.46Å; L129-F140 HydrophobicContact CD1-CE1 3.51Å; L129-F140 HydrophobicContact CD1-CE2 4.09Å; L129-F140 HydrophobicContact CD1-CG 4.37Å; L129-F140 HydrophobicContact CD1-CZ 3.6Å
130	T	97	Very high	92.1	Very high	46 Å²	46	44.1 Å²	44.1	28%	0.282	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	106.3	166.2	-49	0	0	0	0	108.9	A19 V20 M22 I116	A19-T130 CarbonylContact C-O 3.47Å; A19-T130 WeakPolarHBondContact CA-O 3.22Å; A19-T130 WeakPolarHBondContact CB-O 3.39Å; V20-T130 PolarHBondContact N-O 3.28Å; V20-T130 PolarHBondContact O-N 3.1Å; M22-T130 WeakPolarHBondContact CG-OG1 3.45Å; I116-T130 CarbonylContact O-C 3.57Å; I116-T130 VanDerWaalsContact O-CA 3.27Å; I116-T130 WeakPolarHBondContact O-CA 3.41Å
131	F	96.9	Very high	92.1	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	152.1	-177.7	-56.4	-83.8	0	0	0	111.7	V17 A19 I116 H118 L129 S133 D136 A137 F140	V17-F131 HydrophobicContact CG2-CD1 4.27Å; V17-F131 HydrophobicContact CG2-CE1 4.03Å; A19-F131 HydrophobicContact CB-CD1 3.87Å; A19-F131 HydrophobicContact CB-CE1 4.31Å; A19-F131 HydrophobicContact CB-CG 4.45Å; I116-F131 WeakPolarHBondContact O-CD2 3.4Å; I116-F131 PolarHBondContact O-N 3.31Å; H118-F131 HydrophobicContact CB-CE2 3.92Å; H118-F131 HydrophobicContact CB-CZ 4.49Å; H118-F131 AromaticContact CG-CE2 3.69Å; H118-F131 AromaticContact ND1-CE2 3.69Å; L129-F131 HydrophobicContact CB-CD2 4.48Å; L129-F131 HydrophobicContact CB-CE1 3.99Å; L129-F131 HydrophobicContact CB-CE2 3.89Å; L129-F131 HydrophobicContact CB-CZ 3.62Å; L129-F131 HydrophobicContact CD1-CE1 3.75Å; L129-F131 HydrophobicContact CD1-CZ 3.72Å; L129-F131 HydrophobicContact CG-CZ 4.33Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-D136 HydrophobicContact CB-CB 4.32Å; F131-D136 HydrophobicContact CD1-CB 4.28Å; F131-A137 HydrophobicContact CB-CB 4.1Å; F131-A137 HydrophobicContact CD1-CB 4.36Å; F131-A137 HydrophobicContact CD2-CB 3.36Å; F131-A137 HydrophobicContact CE2-CB 3.8Å; F131-A137 HydrophobicContact CG-CB 3.69Å; F131-A137 HydrophobicContact CZ-CB 4.46Å; F131-F140 HydrophobicContact CE1-CB 3.68Å; F131-F140 HydrophobicContact CE1-CD1 4.03Å; F131-F140 AromaticContact CE1-CG 3.85Å; F131-F140 HydrophobicContact CE1-CG 3.85Å; F131-F140 HydrophobicContact CZ-CB 4.03Å; F131-F140 AromaticContact CZ-CD1 3.79Å; F131-F140 HydrophobicContact CZ-CD1 3.79Å; F131-F140 HydrophobicContact CZ-CG 4.08Å
132	Q	94.7	Very high	92.3	Very high	99 Å²	99	40.1 Å²	40.1	46%	0.463	20%	0.202	S	C	.	.	S	Bend	trans	-75.6	-19.6	174.1	-72.7	169.8	106	0	0	113.4	R18 L39	R18-Q132 PolarHBondContact O-NE2 2.96Å; L39-Q132 HydrophobicContact CD1-CG 4.48Å; L39-Q132 VanDerWaalsContact CD1-OE1 3.29Å; L39-Q132 HydrophobicContact CD2-CG 3.66Å
133	S	91.3	Very high	92.6	Very high	26 Å²	26	39.7 Å²	39.7	18%	0.182	20%	0.199	C	C	.	.	S	Bend	trans	-152.1	152.6	177.7	73.1	0	0	0	0	111.8	F131 A135 D136 A137 R338	F131-S133 VanDerWaalsContact C-N 3.31Å; S133-A135 PolarHBondContact O-N 3.4Å; S133-D136 WeakPolarHBondContact O-CB 3.1Å; S133-D136 PolarHBondContact O-N 3.48Å; S133-D136 VanDerWaalsContact O-N 3.07Å; S133-D136 PolarHBondContact OG-N 3.13Å; S133-D136 PolarHBondContact OG-OD2 3.07Å; S133-A137 PolarHBondContact O-N 3.34Å; S133-R338 PolarHBondContact OG-NH2 3.25Å
134	P	90.6	Very high	93.2	Very high	37 Å²	37	34.3 Å²	34.3	24%	0.24	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-28.8	172.4	-25.3	34.2	0	0	0	113.9	P115 I116 A137 R138 P251	P115-P134 HydrophobicContact CB-CB 4.11Å; P115-P134 HydrophobicContact CB-CG 4.13Å; P115-P134 WeakPolarHBondContact O-CA 3.36Å; I116-P134 HydrophobicContact CG2-CG 3.92Å; P134-A137 PolarHBondContact O-N 3.37Å; P134-R138 WeakPolarHBondContact O-CG 3.48Å; P134-R138 PolarHBondContact O-N 2.8Å; P134-P251 HydrophobicContact CG-CG 4.03Å
135	A	90.2	Very high	93.6	Very high	7 Å²	7	32.9 Å²	32.9	6%	0.058	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-37	175.4	0	0	0	0	0	112.2	S133 A139 I335 Y336 R338	S133-A135 PolarHBondContact O-N 3.4Å; A135-A139 VanDerWaalsContact O-CB 3.29Å; A135-A139 WeakPolarHBondContact O-CB 3.44Å; A135-A139 PolarHBondContact O-N 3.24Å; A135-I335 WeakPolarHBondContact CB-O 3.36Å; A135-Y336 WeakPolarHBondContact CB-O 3.37Å; A135-R338 HydrophobicContact CB-CG 4.12Å
136	D	93.4	Very high	93.9	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-40.7	173.7	-61.1	-45.4	0	0	0	111.4	V17 F131 S133 A139 F140 R338	V17-D136 HydrophobicContact CB-CB 4.34Å; V17-D136 HydrophobicContact CG1-CB 4.28Å; F131-D136 HydrophobicContact CB-CB 4.32Å; F131-D136 HydrophobicContact CD1-CB 4.28Å; S133-D136 WeakPolarHBondContact O-CB 3.1Å; S133-D136 PolarHBondContact O-N 3.48Å; S133-D136 VanDerWaalsContact O-N 3.07Å; S133-D136 PolarHBondContact OG-N 3.13Å; S133-D136 PolarHBondContact OG-OD2 3.07Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-F140 WeakPolarHBondContact O-CB 3.48Å; D136-F140 PolarHBondContact O-N 3.18Å; D136-R338 IonicContact OD1-CZ 3.07Å; D136-R338 IonicContact OD1-NE 2.9Å; D136-R338 PolarHBondContact OD1-NE 3.38Å; D136-R338 IonicContact OD1-NH2 3.59Å; D136-R338 PolarHBondContact OD1-NH2 3.11Å; D136-R338 IonicContact OD2-CZ 2.63Å; D136-R338 IonicContact OD2-NH2 2.78Å; D136-R338 PolarHBondContact OD2-NH2 3.4Å
137	A	93.9	Very high	94	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-47	177.2	0	0	0	0	0	111.8	P115 H118 F131 S133 P134 F140 D141	P115-A137 WeakPolarHBondContact O-CB 3.4Å; H118-A137 PolarHBondContact CE1-O 2.8Å; F131-A137 HydrophobicContact CB-CB 4.1Å; F131-A137 HydrophobicContact CD1-CB 4.36Å; F131-A137 HydrophobicContact CD2-CB 3.36Å; F131-A137 HydrophobicContact CE2-CB 3.8Å; F131-A137 HydrophobicContact CG-CB 3.69Å; F131-A137 HydrophobicContact CZ-CB 4.46Å; S133-A137 PolarHBondContact O-N 3.34Å; P134-A137 PolarHBondContact O-N 3.37Å; A137-F140 PolarHBondContact O-N 2.84Å; A137-D141 VanDerWaalsContact O-CB 3.32Å; A137-D141 WeakPolarHBondContact O-CB 3.47Å; A137-D141 PolarHBondContact O-N 2.9Å
138	R	93.3	Very high	93.8	Very high	70 Å²	70	29.2 Å²	29.2	26%	0.264	14%	0.137	S	C	.	.	H	α-helix	trans	-65.3	-42.2	175.5	-69.9	-170.7	-56.4	-94.6	0.7	112.9	P134 F140 D141 R142 Y336 D353	P134-R138 WeakPolarHBondContact O-CG 3.48Å; P134-R138 PolarHBondContact O-N 2.8Å; R138-F140 VanDerWaalsContact C-N 3.33Å; R138-F140 PolarHBondContact O-N 2.87Å; R138-D141 PolarHBondContact O-N 3.38Å; R138-R142 WeakPolarHBondContact O-CG 3.34Å; R138-R142 PolarHBondContact O-N 3.24Å; R138-Y336 PolarHBondContact NH2-O 2.87Å; R138-D353 WeakPolarHBondContact CD-OD1 3.44Å; R138-D353 IonicContact NE-OD1 2.86Å; R138-D353 PolarHBondContact NE-OD1 2.99Å; R138-D353 VanDerWaalsContact NE-OD1 3.07Å; R138-D353 IonicContact NE-OD2 2.73Å
139	A	93.4	Very high	93.6	Very high	13 Å²	13	33.5 Å²	33.5	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-39.8	177.3	0	0	0	0	0	112	A15 A135 D136 G143 R338	A15-A139 WeakPolarHBondContact CB-O 3.46Å; A135-A139 VanDerWaalsContact O-CB 3.29Å; A135-A139 WeakPolarHBondContact O-CB 3.44Å; A135-A139 PolarHBondContact O-N 3.24Å; D136-A139 PolarHBondContact O-N 3.2Å; A139-G143 PolarHBondContact O-N 2.95Å; A139-G143 VanDerWaalsContact O-N 3.13Å; A139-R338 HydrophobicContact CB-CB 3.98Å; A139-R338 HydrophobicContact CB-CG 4.03Å
140	F	95.9	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-45.7	175.6	-170.2	-97.8	0	0	0	112.3	A15 V17 V42 V44 I88 Y110 W120 L129 F131 D136 A137 R138 R142 G143 V144	A15-F140 HydrophobicContact CB-CD2 4.49Å; V17-F140 HydrophobicContact CG1-CB 4.04Å; V17-F140 HydrophobicContact CG1-CD2 4.45Å; V17-F140 HydrophobicContact CG2-CB 4.11Å; V17-F140 HydrophobicContact CG2-CD2 3.54Å; V17-F140 HydrophobicContact CG2-CE2 4.3Å; V17-F140 HydrophobicContact CG2-CG 4.08Å; V42-F140 HydrophobicContact CB-CE2 4.41Å; V42-F140 HydrophobicContact CG1-CE2 3.8Å; V42-F140 HydrophobicContact CG1-CZ 4.09Å; V44-F140 HydrophobicContact CG2-CD2 3.98Å; V44-F140 HydrophobicContact CG2-CE2 3.4Å; V44-F140 HydrophobicContact CG2-CZ 3.73Å; I88-F140 HydrophobicContact CD1-CZ 4.14Å; I88-F140 HydrophobicContact CG1-CZ 4.47Å; I88-F140 HydrophobicContact CG2-CE2 4.45Å; I88-F140 HydrophobicContact CG2-CZ 3.92Å; Y110-F140 HydrophobicContact CE2-CE1 4.37Å; Y110-F140 WeakPolarHBondContact OH-CD1 3.49Å; W120-F140 HydrophobicContact CH2-CE1 4.01Å; W120-F140 HydrophobicContact CH2-CZ 4.21Å; W120-F140 HydrophobicContact CZ3-CE1 4.01Å; L129-F140 HydrophobicContact CD1-CD1 3.92Å; L129-F140 HydrophobicContact CD1-CD2 4.46Å; L129-F140 HydrophobicContact CD1-CE1 3.51Å; L129-F140 HydrophobicContact CD1-CE2 4.09Å; L129-F140 HydrophobicContact CD1-CG 4.37Å; L129-F140 HydrophobicContact CD1-CZ 3.6Å; F131-F140 HydrophobicContact CE1-CB 3.68Å; F131-F140 HydrophobicContact CE1-CD1 4.03Å; F131-F140 AromaticContact CE1-CG 3.85Å; F131-F140 HydrophobicContact CE1-CG 3.85Å; F131-F140 HydrophobicContact CZ-CB 4.03Å; F131-F140 AromaticContact CZ-CD1 3.79Å; F131-F140 HydrophobicContact CZ-CD1 3.79Å; F131-F140 HydrophobicContact CZ-CG 4.08Å; D136-F140 WeakPolarHBondContact O-CB 3.48Å; D136-F140 PolarHBondContact O-N 3.18Å; A137-F140 PolarHBondContact O-N 2.84Å; R138-F140 VanDerWaalsContact C-N 3.33Å; R138-F140 PolarHBondContact O-N 2.87Å; F140-R142 PolarHBondContact O-N 3Å; F140-G143 CarbonylContact O-C 3.54Å; F140-G143 WeakPolarHBondContact O-CA 3.42Å; F140-G143 PolarHBondContact O-N 3.22Å; F140-V144 HydrophobicContact CD1-CG2 3.94Å; F140-V144 HydrophobicContact CE1-CG2 3.56Å; F140-V144 HydrophobicContact CZ-CG2 4.01Å; F140-V144 PolarHBondContact O-N 3.46Å
141	D	94.6	Very high	92.9	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.059	16%	0.16	C	C	.	.	H	α-helix	trans	-55.9	-45.9	173.9	165.6	44.9	0	0	0	112.2	Y110 K112 A137 R138 G143 V144 R145	Y110-D141 HydrophobicContact CE1-CB 4.32Å; K112-D141 VanDerWaalsContact CE-CG 3.47Å; K112-D141 WeakPolarHBondContact CE-OD1 3.3Å; K112-D141 IonicContact NZ-OD1 3.4Å; K112-D141 PolarHBondContact NZ-OD1 3.21Å; K112-D141 IonicContact NZ-OD2 3.45Å; K112-D141 PolarHBondContact NZ-OD2 2.71Å; A137-D141 VanDerWaalsContact O-CB 3.32Å; A137-D141 WeakPolarHBondContact O-CB 3.47Å; A137-D141 PolarHBondContact O-N 2.9Å; R138-D141 PolarHBondContact O-N 3.38Å; D141-G143 PolarHBondContact O-N 3.39Å; D141-V144 PolarHBondContact O-N 3.37Å; D141-R145 PolarHBondContact O-N 2.69Å; D141-R145 IonicContact OD1-CZ 3.54Å; D141-R145 IonicContact OD1-NE 3.03Å; D141-R145 PolarHBondContact OD1-NE 3.37Å; D141-R145 IonicContact OD1-NH2 3.34Å; D141-R145 IonicContact OD2-CZ 2.87Å; D141-R145 IonicContact OD2-NE 3.64Å; D141-R145 PolarHBondContact OD2-NE 2.81Å; D141-R145 IonicContact OD2-NH2 3.79Å; D141-R145 PolarHBondContact OD2-NH2 2.93Å
142	R	93.5	Very high	92.3	Very high	41 Å²	41	37.7 Å²	37.7	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-28.4	172.4	-70.9	-159.6	-53.4	-73	-0.5	113.3	R138 F140 R146 C337 E339 D353	R138-R142 WeakPolarHBondContact O-CG 3.34Å; R138-R142 PolarHBondContact O-N 3.24Å; F140-R142 PolarHBondContact O-N 3Å; R142-R146 WeakPolarHBondContact O-CB 3.33Å; R142-R146 WeakPolarHBondContact O-CG 3.25Å; R142-R146 PolarHBondContact O-N 3.02Å; R142-R146 PolarHBondContact O-NE 3.46Å; R142-C337 PolarHBondContact NH2-O 3.14Å; R142-E339 IonicContact CZ-OE1 3.07Å; R142-E339 VanDerWaalsContact CZ-OE1 3.29Å; R142-E339 IonicContact NE-OE1 2.74Å; R142-E339 PolarHBondContact NE-OE1 2.98Å; R142-E339 VanDerWaalsContact NE-OE1 3.09Å; R142-E339 VanDerWaalsContact NH2-CD 3.33Å; R142-E339 IonicContact NH2-OE1 3.13Å; R142-E339 PolarHBondContact NH2-OE1 2.94Å; R142-E339 IonicContact NH2-OE2 3.29Å; R142-D353 IonicContact CZ-OD2 3.69Å; R142-D353 IonicContact NH1-OD1 2.77Å; R142-D353 IonicContact NH1-OD2 3.89Å; R142-D353 PolarHBondContact NH1-OD2 3.06Å; R142-D353 IonicContact NH2-OD2 3.64Å
143	G	93.8	Very high	91.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.4	-47.2	174.2	0	0	0	0	0	112.5	A139 F140 D141 A147	A139-G143 PolarHBondContact O-N 2.95Å; A139-G143 VanDerWaalsContact O-N 3.13Å; F140-G143 CarbonylContact O-C 3.54Å; F140-G143 WeakPolarHBondContact O-CA 3.42Å; F140-G143 PolarHBondContact O-N 3.22Å; D141-G143 PolarHBondContact O-N 3.39Å; G143-A147 WeakPolarHBondContact O-CB 3.31Å; G143-A147 PolarHBondContact O-N 2.93Å
144	V	94.5	Very high	90.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-46.1	176.9	174.5	0	0	0	0	111	V44 I88 L104 L108 Y110 F140 D141 A147 I148	V44-V144 HydrophobicContact CG2-CG2 3.9Å; I88-V144 HydrophobicContact CD1-CG2 4.42Å; L104-V144 HydrophobicContact CD2-CG1 4.31Å; L108-V144 HydrophobicContact CD2-CG1 4.05Å; Y110-V144 HydrophobicContact CD2-CG1 4.07Å; Y110-V144 HydrophobicContact CE2-CG1 4.29Å; Y110-V144 HydrophobicContact CE2-CG2 4.18Å; F140-V144 HydrophobicContact CD1-CG2 3.94Å; F140-V144 HydrophobicContact CE1-CG2 3.56Å; F140-V144 HydrophobicContact CZ-CG2 4.01Å; F140-V144 PolarHBondContact O-N 3.46Å; D141-V144 PolarHBondContact O-N 3.37Å; V144-A147 PolarHBondContact O-N 3.34Å; V144-I148 HydrophobicContact CG1-CD1 3.76Å; V144-I148 HydrophobicContact CG1-CG1 4.48Å; V144-I148 WeakPolarHBondContact O-CG1 3.38Å; V144-I148 PolarHBondContact O-N 3.36Å
145	R	92.9	Very high	89.3	Confident	111 Å²	111	43.2 Å²	43.2	42%	0.419	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-49.5	178.2	-76.3	-173.8	-81.3	131.3	-12.2	112.8	D141 A147 I148 E149	D141-R145 PolarHBondContact O-N 2.69Å; D141-R145 IonicContact OD1-CZ 3.54Å; D141-R145 IonicContact OD1-NE 3.03Å; D141-R145 PolarHBondContact OD1-NE 3.37Å; D141-R145 IonicContact OD1-NH2 3.34Å; D141-R145 IonicContact OD2-CZ 2.87Å; D141-R145 IonicContact OD2-NE 3.64Å; D141-R145 PolarHBondContact OD2-NE 2.81Å; D141-R145 IonicContact OD2-NH2 3.79Å; D141-R145 PolarHBondContact OD2-NH2 2.93Å; R145-A147 VanDerWaalsContact C-N 3.29Å; R145-A147 PolarHBondContact O-N 2.89Å; R145-I148 PolarHBondContact O-N 3.09Å; R145-I148 VanDerWaalsContact O-N 3.14Å; R145-E149 WeakPolarHBondContact O-CG 3.38Å; R145-E149 PolarHBondContact O-N 2.97Å
146	R	92.4	Very high	87.3	Confident	102 Å²	102	46.5 Å²	46.5	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-37.9	175.4	-78.4	-179.7	-70.7	130.7	-1.6	112.8	Y14 R142 D150	Y14-R146 HydrophobicContact CD1-CB 3.69Å; Y14-R146 HydrophobicContact CE1-CB 3.98Å; Y14-R146 PolarHBondContact O-NH1 3.45Å; Y14-R146 PolarHBondContact O-NH2 3.05Å; R142-R146 WeakPolarHBondContact O-CB 3.33Å; R142-R146 WeakPolarHBondContact O-CG 3.25Å; R142-R146 PolarHBondContact O-N 3.02Å; R142-R146 PolarHBondContact O-NE 3.46Å; R146-D150 PolarHBondContact O-N 3.41Å
147	A	92.9	Very high	85.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-43.4	175.5	0	0	0	0	0	111.8	Y14 V44 F86 L104 G143 V144 R145 D150 I151	Y14-A147 HydrophobicContact CD1-CB 3.97Å; Y14-A147 HydrophobicContact CE1-CB 4.31Å; Y14-A147 HydrophobicContact CG-CB 4.23Å; V44-A147 HydrophobicContact CG1-CB 3.92Å; F86-A147 HydrophobicContact CD1-CB 3.84Å; F86-A147 HydrophobicContact CE1-CB 4.38Å; F86-A147 HydrophobicContact CG-CB 4.38Å; L104-A147 HydrophobicContact CD1-CB 3.77Å; G143-A147 WeakPolarHBondContact O-CB 3.31Å; G143-A147 PolarHBondContact O-N 2.93Å; V144-A147 PolarHBondContact O-N 3.34Å; R145-A147 VanDerWaalsContact C-N 3.29Å; R145-A147 PolarHBondContact O-N 2.89Å; A147-D150 PolarHBondContact O-N 2.96Å; A147-I151 WeakPolarHBondContact O-CG1 3.24Å; A147-I151 PolarHBondContact O-N 3.13Å
148	I	91.7	Very high	83	Confident	28 Å²	28	60.4 Å²	60.4	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-41.3	177.3	-65.8	167.2	0	0	0	111.7	L108 V144 R145 D150 I151 N152	L108-I148 HydrophobicContact CB-CD1 4.07Å; L108-I148 HydrophobicContact CD2-CD1 4.14Å; V144-I148 HydrophobicContact CG1-CD1 3.76Å; V144-I148 HydrophobicContact CG1-CG1 4.48Å; V144-I148 WeakPolarHBondContact O-CG1 3.38Å; V144-I148 PolarHBondContact O-N 3.36Å; R145-I148 PolarHBondContact O-N 3.09Å; R145-I148 VanDerWaalsContact O-N 3.14Å; I148-D150 VanDerWaalsContact C-N 3.28Å; I148-D150 PolarHBondContact O-N 3.05Å; I148-I151 PolarHBondContact O-N 3.33Å; I148-N152 VanDerWaalsContact O-CG 3.32Å; I148-N152 PolarHBondContact O-N 2.7Å; I148-N152 PolarHBondContact O-ND2 3.26Å
149	E	91.3	Very high	80.7	Confident	91 Å²	91	61 Å²	61	43%	0.425	33%	0.329	S	S	.	.	H	α-helix	trans	-57.4	-41.4	173.2	-72.4	162.6	-148.7	0	0	111.7	R145 N152 K153	R145-E149 WeakPolarHBondContact O-CG 3.38Å; R145-E149 PolarHBondContact O-N 2.97Å; E149-N152 PolarHBondContact O-N 2.95Å; E149-K153 WeakPolarHBondContact O-CG 3.09Å; E149-K153 PolarHBondContact O-N 3.34Å; E149-K153 VanDerWaalsContact O-N 3.11Å
150	D	89.8	Confident	78.3	Confident	40 Å²	40	69.9 Å²	69.9	21%	0.214	37%	0.368	C	S	.	.	H	α-helix	trans	-75	-32.9	178	-71	-14.6	0	0	0	113	Y14 F86 R146 A147 I148 N152 K153 V154	Y14-D150 VanDerWaalsContact CE1-OD2 3.3Å; Y14-D150 WeakPolarHBondContact CE1-OD2 3.16Å; Y14-D150 PolarHBondContact OH-OD2 3.41Å; F86-D150 HydrophobicContact CE1-CB 4.34Å; F86-D150 HydrophobicContact CZ-CB 3.83Å; R146-D150 PolarHBondContact O-N 3.41Å; A147-D150 PolarHBondContact O-N 2.96Å; I148-D150 VanDerWaalsContact C-N 3.28Å; I148-D150 PolarHBondContact O-N 3.05Å; D150-N152 VanDerWaalsContact C-N 3.31Å; D150-N152 PolarHBondContact O-N 3.33Å; D150-K153 PolarHBondContact O-N 3.31Å; D150-K153 IonicContact OD1-NZ 2.8Å; D150-K153 PolarHBondContact OD1-NZ 3.05Å; D150-V154 VanDerWaalsContact O-CG2 3.31Å; D150-V154 WeakPolarHBondContact O-CG2 3.39Å; D150-V154 PolarHBondContact O-N 2.88Å
151	I	89.3	Confident	75.5	Confident	25 Å²	25	73.1 Å²	73.1	13%	0.128	40%	0.402	C	S	.	.	H	α-helix	trans	-55.9	-50.3	167.1	-66.4	166.4	0	0	0	109.4	F86 L104 R106 A147 I148 K153 V154 S155	F86-I151 HydrophobicContact CB-CD1 4.23Å; F86-I151 HydrophobicContact CB-CG1 4.49Å; F86-I151 HydrophobicContact CD2-CD1 3.87Å; F86-I151 HydrophobicContact CD2-CG1 3.22Å; F86-I151 HydrophobicContact CE2-CB 4.43Å; F86-I151 HydrophobicContact CE2-CG1 3.48Å; F86-I151 VanDerWaalsContact CE2-CG1 3.48Å; F86-I151 HydrophobicContact CG-CD1 4.28Å; F86-I151 HydrophobicContact CG-CG1 4.02Å; F86-I151 HydrophobicContact CZ-CG1 4.45Å; L104-I151 HydrophobicContact CB-CD1 3.98Å; R106-I151 HydrophobicContact CB-CG2 3.82Å; A147-I151 WeakPolarHBondContact O-CG1 3.24Å; A147-I151 PolarHBondContact O-N 3.13Å; I148-I151 PolarHBondContact O-N 3.33Å; I151-K153 VanDerWaalsContact C-N 3.34Å; I151-K153 PolarHBondContact O-N 3.06Å; I151-V154 PolarHBondContact O-N 2.93Å; I151-S155 PolarHBondContact O-N 3.31Å; I151-S155 PolarHBondContact O-OG 2.8Å
152	N	85.9	Confident	72.6	Confident	76 Å²	76	80.5 Å²	80.5	41%	0.406	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-39.4	-175.8	-70.6	-20.2	0	0	0	112.3	R106 I148 E149 D150 S155 S156	R106-N152 WeakPolarHBondContact CB-OD1 3.48Å; I148-N152 VanDerWaalsContact O-CG 3.32Å; I148-N152 PolarHBondContact O-N 2.7Å; I148-N152 PolarHBondContact O-ND2 3.26Å; E149-N152 PolarHBondContact O-N 2.95Å; D150-N152 VanDerWaalsContact C-N 3.31Å; D150-N152 PolarHBondContact O-N 3.33Å; N152-S155 PolarHBondContact O-OG 3.39Å; N152-S156 PolarHBondContact O-N 3.27Å
153	K	84.5	Confident	69.9	Low	128 Å²	128	84.9 Å²	84.9	56%	0.557	47%	0.473	S	S	*	.	H	α-helix	trans	-62.3	-48.3	172.8	-67.1	165.3	-155.6	159.6	0	112.1	E149 D150 I151 S155 S156	E149-K153 WeakPolarHBondContact O-CG 3.09Å; E149-K153 PolarHBondContact O-N 3.34Å; E149-K153 VanDerWaalsContact O-N 3.11Å; D150-K153 PolarHBondContact O-N 3.31Å; D150-K153 IonicContact OD1-NZ 2.8Å; D150-K153 PolarHBondContact OD1-NZ 3.05Å; I151-K153 VanDerWaalsContact C-N 3.34Å; I151-K153 PolarHBondContact O-N 3.06Å; K153-S155 VanDerWaalsContact C-N 3.28Å; K153-S155 PolarHBondContact O-N 3.45Å; K153-S156 PolarHBondContact O-N 3.49Å
154	V	70.6	Confident	67.4	Low	83 Å²	83	90.5 Å²	90.5	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-67.4	-29	-178	173.8	0	0	0	0	112.1	V84 D150 I151	V84-V154 HydrophobicContact CB-CG1 4.42Å; V84-V154 HydrophobicContact CG2-CG1 4.44Å; D150-V154 VanDerWaalsContact O-CG2 3.31Å; D150-V154 WeakPolarHBondContact O-CG2 3.39Å; D150-V154 PolarHBondContact O-N 2.88Å; I151-V154 PolarHBondContact O-N 2.93Å
155	S	58.2	Low	65	Low	66 Å²	66	99.5 Å²	99.5	46%	0.462	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.8	6.7	177	61.1	0	0	0	0	115.3	I151 N152 K153 P157	I151-S155 PolarHBondContact O-N 3.31Å; I151-S155 PolarHBondContact O-OG 2.8Å; N152-S155 PolarHBondContact O-OG 3.39Å; K153-S155 VanDerWaalsContact C-N 3.28Å; K153-S155 PolarHBondContact O-N 3.45Å; S155-P157 WeakPolarHBondContact O-CD 3.38Å
156	S	48.4	Very low	62.3	Low	76 Å²	76	102.4 Å²	102.4	53%	0.531	57%	0.574	S	S	.	*			trans	-99.1	94.8	174.3	-179.6	0	0	0	0	111.1	N152 K153	N152-S156 PolarHBondContact O-N 3.27Å; K153-S156 PolarHBondContact O-N 3.49Å
157	P	49.1	Very low	59.4	Low	100 Å²	100	100.7 Å²	100.7	65%	0.649	59%	0.589	S	S	*	*			trans	-72.8	138.3	164.9	31.8	-33.1	0	0	0	110	S155	S155-P157 WeakPolarHBondContact O-CD 3.38Å
158	F	46.4	Very low	56.8	Low	206 Å²	206	108.4 Å²	108.4	90%	0.904	63%	0.629	S	S	*	*			trans	74.6	110.2	-178.6	-56	-83.5	0	0	0	116.1
159	G	46.3	Very low	54.4	Low	82 Å²	82	112.8 Å²	112.8	85%	0.845	66%	0.66	S	S	*	*			trans	-174.3	19.6	177.7	0	0	0	0	0	116.2
160	E	42.7	Very low	51.6	Low	201 Å²	201	114 Å²	114	94%	0.939	67%	0.673	S	S	*	*			trans	-156.4	129.4	178.9	-139.6	167.3	131.2	0	0	107.5
161	G	37.3	Very low	48.7	Very low	68 Å²	68	118 Å²	118	70%	0.701	70%	0.703	S	S	*	*			cis	-167.6	-153.3	-2.7	0	0	0	0	0	111.4
162	D	32.7	Very low	46	Very low	165 Å²	165	124 Å²	124	88%	0.882	74%	0.735	S	S	*	*			trans	70.7	112.7	172.1	-69	-10.3	0	0	0	120.7
163	T	37.8	Very low	43.1	Very low	134 Å²	134	127.5 Å²	127.5	82%	0.822	75%	0.754	S	S	*	*			trans	-95.1	137.3	147.3	-43	0	0	0	0	108.1
164	P	41.4	Very low	41	Very low	117 Å²	117	127 Å²	127	76%	0.76	76%	0.763	S	S	*	*				-129.9	162.3	128.6	36.4	-29.3	0	0	0	112.7
165	E	43.7	Very low	40.1	Very low	191 Å²	191	128.8 Å²	128.8	89%	0.893	78%	0.777	S	S	*	*			trans	-72.7	146.4	-171.8	-49.3	-174.4	118.4	0	0	113.5
166	D	36.4	Very low	38.6	Very low	171 Å²	171	131.3 Å²	131.3	91%	0.914	79%	0.794	S	S	*	*				167.7	150.1	109.5	-166.8	12	0	0	0	110.5
167	G	31.7	Very low	38	Very low	67 Å²	67	135.4 Å²	135.4	69%	0.691	81%	0.809	S	S	*	*			trans	127.7	80.1	171.8	0	0	0	0	0	116.8
168	L	37	Very low	36.8	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	82%	0.817	S	S	*	*			trans	-71.2	155.8	160.2	-63.5	172.1	0	0	0	110.6
169	P	41.3	Very low	36.1	Very low	120 Å²	120	132.2 Å²	132.2	78%	0.779	81%	0.808	S	S	*	*				-144.5	134.2	87.5	34.3	-16.6	0	0	0	116.8
170	V	33.6	Very low	35.4	Very low	115 Å²	115	134.7 Å²	134.7	70%	0.697	81%	0.809	S	S	*	*			trans	30.3	124.3	130.2	-175.9	0	0	0	0	119.9
171	C	29.4	Very low	34.5	Very low	126 Å²	126	132.1 Å²	132.1	85%	0.851	80%	0.802	S	S	*	*				-163	153	124.9	-100.9	0	0	0	0	110.9
172	D	31.4	Very low	34.7	Very low	151 Å²	151	140 Å²	140	81%	0.807	81%	0.81	S	S	*	*			trans	-78.4	163	-156.1	-57.5	-108.5	0	0	0	118.8
173	D	25.3	Very low	34.5	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	81%	0.806	S	S	*	*			trans	-50.3	179.1	165.5	-91.6	-62.9	0	0	0	116
174	P	40.3	Very low	34.5	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	79%	0.791	S	S	*	*			cis	-131.5	-175.4	-1.2	14.4	13.8	0	0	0	114.5
175	P	52.7	Low	33.7	Very low	121 Å²	121	142.6 Å²	142.6	79%	0.786	80%	0.801	S	S	*	*			trans	-92.8	157.4	-168.9	36.3	-36.8	0	0	0	116
176	S	26.7	Very low	33.1	Very low	119 Å²	119	138.5 Å²	138.5	83%	0.832	79%	0.793	S	S	*	*			trans	-143.7	138.7	161.8	74.5	0	0	0	0	115
177	I	35.4	Very low	33.5	Very low	162 Å²	162	135.8 Å²	135.8	83%	0.831	79%	0.785	S	S	*	*			trans	-66.1	136.1	169.7	-65.2	156.5	0	0	0	109.5
178	C	23.9	Very low	33.4	Very low	123 Å²	123	140.2 Å²	140.2	83%	0.831	79%	0.792	S	S	*	*			trans	-169.6	152.5	139.1	-109.4	0	0	0	0	114.9
179	T	32	Very low	32.9	Very low	117 Å²	117	136.7 Å²	136.7	72%	0.718	78%	0.781	S	S	*	*			trans	-65.9	153.9	177.9	47.6	0	0	0	0	114.3	L181	T179-L181 PolarHBondContact O-N 3.28Å; T179-L181 VanDerWaalsContact O-N 3.16Å
180	P	31.6	Very low	32.4	Very low	133 Å²	133	138 Å²	138	86%	0.864	78%	0.782	S	S	*	*			trans	-71.9	107.9	163.2	30.4	-31.3	0	0	0	110.3
181	L	23.1	Very low	32.1	Very low	148 Å²	148	138.1 Å²	138.1	78%	0.775	78%	0.782	S	S	*	*			trans	-62.9	135.4	169.4	177.8	64.4	0	0	0	110.3	T179	T179-L181 PolarHBondContact O-N 3.28Å; T179-L181 VanDerWaalsContact O-N 3.16Å
182	R	41.7	Very low	32.1	Very low	233 Å²	233	138.4 Å²	138.4	88%	0.879	78%	0.78	S	S	*	*			trans	-82.8	129.4	171.6	-162.7	-163.1	-156.8	-146.5	6.8	108.8
183	E	27.9	Very low	31.8	Very low	169 Å²	169	136.9 Å²	136.9	79%	0.79	78%	0.781	S	S	*	*			trans	-160	169.6	163.4	-117.1	-169.2	-156.4	0	0	112.4
184	P	37.3	Very low	32.1	Very low	79 Å²	79	133.8 Å²	133.8	51%	0.513	78%	0.776	S	S	.	*				-132.7	166.3	-109.2	41.8	-25.6	0	0	0	115.5
185	F	26.3	Very low	31.7	Very low	223 Å²	223	137.3 Å²	137.3	98%	0.978	78%	0.783	S	S	*	*			trans	-134.6	145.6	146.4	-78.7	-70.6	0	0	0	111.1
186	S	29.7	Very low	31.3	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	78%	0.776	S	S	*	*			trans	-119.7	177.1	-150.9	-51.1	0	0	0	0	111.2
187	P	45.2	Very low	31.5	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	78%	0.776	S	S	*	*			trans	-113.5	175.1	-146.6	41.1	-33.7	0	0	0	115.3
188	L	28.6	Very low	31.1	Very low	161 Å²	161	141.5 Å²	141.5	84%	0.843	77%	0.772	S	S	*	*			trans	-163.4	113.9	146.5	-123.5	67.4	0	0	0	107.1
189	S	28.4	Very low	31.3	Very low	87 Å²	87	139.4 Å²	139.4	61%	0.608	77%	0.772	S	S	*	*				64.2	136.4	94.5	98.6	0	0	0	0	113.2
190	N	29	Very low	31.2	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	76%	0.764	S	S	*	*			cis	-170.1	169.4	11.3	-107.1	-8.1	0	0	0	107.5
191	V	28.8	Very low	31.1	Very low	117 Å²	117	141.9 Å²	141.9	71%	0.709	76%	0.764	S	S	*	*			cis	-157.4	159.3	4.7	100.1	0	0	0	0	111.5
192	V	28.5	Very low	31.3	Very low	132 Å²	132	140.7 Å²	140.7	80%	0.8	76%	0.762	S	S	*	*			trans	7.4	127.4	157.7	-179.1	0	0	0	0	121.4
193	S	25.7	Very low	31.4	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	76%	0.755	S	S	*	*				-161.1	156.2	116.7	-160.1	0	0	0	0	112.5
194	A	31.4	Very low	31.6	Very low	84 Å²	84	133.1 Å²	133.1	69%	0.694	76%	0.758	S	S	*	*			trans	-101	175.7	179.8	0	0	0	0	0	112.9
195	E	31.2	Very low	31.3	Very low	190 Å²	190	137.9 Å²	137.9	89%	0.888	77%	0.774	S	S	*	*			trans	89.1	151.7	168	-66.6	-164.6	107.5	0	0	120
196	P	45.6	Very low	31.8	Very low	99 Å²	99	132.1 Å²	132.1	64%	0.643	76%	0.759	S	S	*	*			trans	-116.1	-166.1	-157.3	40.9	-26.1	0	0	0	114.1
197	F	29.6	Very low	31.8	Very low	190 Å²	190	137 Å²	137	83%	0.833	77%	0.767	S	S	*	*			trans	81.3	150.1	-171.2	-69.2	-93.6	0	0	0	114.2
198	R	28.4	Very low	31.2	Very low	200 Å²	200	139.4 Å²	139.4	76%	0.755	77%	0.774	S	S	*	*			cis	-147.6	130.3	17.3	-171.5	179.5	-78.7	-106.1	3.4	111.6
199	G	28.4	Very low	31.5	Very low	79 Å²	79	138.4 Å²	138.4	81%	0.814	77%	0.769	S	S	*	*			trans	-83.9	144.4	156.8	0	0	0	0	0	110.2
200	C	29.6	Very low	31.7	Very low	84 Å²	84	140 Å²	140	57%	0.568	77%	0.771	S	S	*	*			trans	-124.3	146.6	-175.7	-76.1	0	0	0	0	113.3
201	Y	28.4	Very low	31.8	Very low	219 Å²	219	144.3 Å²	144.3	86%	0.859	78%	0.776	S	S	*	*			trans	79.3	135.6	170.9	-53.7	-71.4	0	0	0	118.4
202	V	27.7	Very low	32.3	Very low	122 Å²	122	149.1 Å²	149.1	74%	0.739	78%	0.782	S	S	*	*			cis	-169.8	137.3	-47	133.1	0	0	0	0	107
203	P	43.9	Very low	32.4	Very low	112 Å²	112	153.3 Å²	153.3	73%	0.727	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-100.6	155.6	176.3	37.2	-32.9	0	0	0	113.5
204	P	32.1	Very low	32.7	Very low	132 Å²	132	155.5 Å²	155.5	86%	0.857	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-101	164.8	158.2	27	-13.5	0	0	0	113.6
205	Q	31	Very low	33.2	Very low	178 Å²	178	157.2 Å²	157.2	83%	0.832	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-98.5	168.7	-156.7	-86.3	-90.9	-63.5	0	0	115.3
206	P	37.3	Very low	33.6	Very low	102 Å²	102	154 Å²	154	66%	0.662	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.8	170.9	179.8	35.8	-36.4	0	0	0	113
207	F	28.2	Very low	33.2	Very low	208 Å²	208	158 Å²	158	91%	0.912	80%	0.796	S	S	*	*			trans	-136	150	172.2	-102	-86.1	0	0	0	112.5
208	D	33.4	Very low	33.2	Very low	163 Å²	163	154.2 Å²	154.2	87%	0.872	79%	0.793	S	S	*	*			trans	-78.3	169.1	-164.4	-78.8	-66.5	0	0	0	117.6
209	D	34.8	Very low	33.4	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	79%	0.79	S	S	*	*			trans	-84.6	168.4	-178.7	-167.2	6.8	0	0	0	114.1
210	N	33.4	Very low	33.4	Very low	121 Å²	121	158.4 Å²	158.4	65%	0.647	80%	0.797	S	S	*	*			trans	78.5	98.3	168.3	-79.5	-70.2	0	0	0	120.3
211	R	30.2	Very low	33.4	Very low	237 Å²	237	166.2 Å²	166.2	89%	0.894	81%	0.814	S	S	*	*				-158.2	132.7	119.6	-115.2	170.8	176.2	-179	-1.4	113.9
212	R	40.3	Very low	33.4	Very low	219 Å²	219	161.6 Å²	161.6	83%	0.826	81%	0.809	S	S	*	*			trans	-80.3	132.9	-179.3	-56.1	170.1	-178.4	156.5	-0.7	112.1
213	Y	30.6	Very low	33.3	Very low	219 Å²	219	161.1 Å²	161.1	86%	0.859	81%	0.811	S	S	*	*			trans	-154.1	131	148.5	-75.2	-69.5	0	0	0	111.6
214	L	32.3	Very low	32.6	Very low	167 Å²	167	164.5 Å²	164.5	87%	0.874	81%	0.814	S	S	*	*			trans	-103.9	173.9	158.7	-67.8	167.3	0	0	0	107.1
215	P	40	Very low	32.6	Very low	119 Å²	119	169.8 Å²	169.8	77%	0.773	82%	0.817	S	S	*	*			cis	-132.3	-150.6	8.8	43.2	-21.4	0	0	0	110.6
216	P	40.1	Very low	32.6	Very low	122 Å²	122	167.8 Å²	167.8	79%	0.792	82%	0.817	S	S	*	*			cis	-133.4	176.8	-2.1	42	-23.1	0	0	0	118.1
217	Q	37.4	Very low	32.4	Very low	185 Å²	185	170.2 Å²	170.2	86%	0.864	82%	0.824	S	S	*	*			trans	-100.4	157.4	175.4	-64.3	179.8	-15.6	0	0	113
218	S	29.2	Very low	33.1	Very low	109 Å²	109	169.6 Å²	169.6	76%	0.762	82%	0.824	S	S	*	*			trans	-156.3	84	160.2	174.6	0	0	0	0	109.4
219	T	32.2	Very low	33.3	Very low	114 Å²	114	170.8 Å²	170.8	70%	0.699	83%	0.825	S	S	*	*				52.7	108.1	100.4	60.2	0	0	0	0	117.6
220	R	30.2	Very low	33.3	Very low	254 Å²	254	172 Å²	172	96%	0.958	83%	0.826	S	S	*	*				-149.9	120.9	127	-104.3	175.1	-166.7	-169.1	3.3	109.3
221	R	28.7	Very low	33.4	Very low	247 Å²	247	173.4 Å²	173.4	93%	0.932	83%	0.831	S	S	*	*			trans	-86.4	143	172.1	-56	-177.8	-155.8	-131.9	3.6	109
222	V	28.3	Very low	33.8	Very low	123 Å²	123	166.8 Å²	166.8	75%	0.745	82%	0.817	S	S	*	*			trans	-124.7	122.9	151.4	178.5	0	0	0	0	106	F224	V222-F224 HydrophobicContact CG1-CE2 4Å; V222-F224 HydrophobicContact CG1-CZ 4.31Å
223	S	26.2	Very low	33.5	Very low	112 Å²	112	166.9 Å²	166.9	78%	0.783	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-94.3	124.9	179.7	53.2	0	0	0	0	110.2
224	F	28.1	Very low	34	Very low	182 Å²	182	163.1 Å²	163.1	80%	0.798	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-97.6	140.1	160.7	-69.2	-83.8	0	0	0	108.8	V222	V222-F224 HydrophobicContact CG1-CE2 4Å; V222-F224 HydrophobicContact CG1-CZ 4.31Å
225	R	32.3	Very low	33.9	Very low	243 Å²	243	160.6 Å²	160.6	92%	0.917	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.6	135	171.3	-73.7	-175.3	172.8	-164.7	-2.1	108.4
226	V	31.5	Very low	33.8	Very low	136 Å²	136	159.1 Å²	159.1	82%	0.824	79%	0.789	S	S	*	*			trans	-90.1	108.2	164.9	177	0	0	0	0	105.7
227	D	32.7	Very low	33.6	Very low	154 Å²	154	163.7 Å²	163.7	82%	0.824	79%	0.79	S	S	*	*			trans	-75	146	157.8	-96.9	-52.7	0	0	0	108.6	E229	D227-E229 PolarHBondContact O-N 3.29Å
228	E	44.3	Very low	33.4	Very low	194 Å²	194	162.9 Å²	162.9	91%	0.907	78%	0.784	S	S	*	*			trans	-79.6	104.5	-173.8	-65.4	-176.6	107.9	0	0	110.9
229	E	37.7	Very low	33.8	Very low	189 Å²	189	162.9 Å²	162.9	88%	0.883	78%	0.775	S	S	*	*			trans	-141.3	139.7	160.8	-136.1	150.9	-156.4	0	0	112.4	D227 I231	D227-E229 PolarHBondContact O-N 3.29Å; E229-I231 PolarHBondContact O-N 3.43Å
230	E	34.1	Very low	34.2	Very low	167 Å²	167	162.7 Å²	162.7	78%	0.78	77%	0.774	S	S	*	*			trans	-53.5	108.6	-155.7	-167.9	-179.9	165.7	0	0	116.3	V232	E230-V232 VanDerWaalsContact C-N 3.28Å; E230-V232 HydrophobicContact CG-CG2 3.86Å; E230-V232 PolarHBondContact O-N 2.92Å
231	I	35.2	Very low	34.7	Very low	149 Å²	149	158.3 Å²	158.3	76%	0.764	77%	0.768	S	S	*	*			trans	-74.6	85.2	164.2	-55.8	174.9	0	0	0	108.8	E229 R233	E229-I231 PolarHBondContact O-N 3.43Å; I231-R233 PolarHBondContact O-N 3.42Å
232	V	37.8	Very low	35.2	Very low	99 Å²	99	153.6 Å²	153.6	60%	0.6	76%	0.76	S	S	*	*			trans	-60.8	106.9	169	-179	0	0	0	0	108.5	E230 I234	E230-V232 VanDerWaalsContact C-N 3.28Å; E230-V232 HydrophobicContact CG-CG2 3.86Å; E230-V232 PolarHBondContact O-N 2.92Å; V232-I234 PolarHBondContact O-N 2.83Å
233	R	34.7	Very low	35.8	Very low	221 Å²	221	157.3 Å²	157.3	83%	0.834	76%	0.761	S	S	*	*			trans	-68.6	93.1	175.8	-75.4	-179.6	170.8	79.4	-3.6	109.8	I231 N235	I231-R233 PolarHBondContact O-N 3.42Å; R233-N235 PolarHBondContact O-N 2.94Å
234	I	41.1	Very low	36.4	Very low	140 Å²	140	153.9 Å²	153.9	72%	0.718	74%	0.744	S	S	*	*			trans	-60.2	107.8	166.3	-59.4	173.7	0	0	0	107.6	V232 P236	V232-I234 PolarHBondContact O-N 2.83Å; I234-P236 WeakPolarHBondContact O-CD 3.44Å
235	N	30.1	Very low	37	Very low	114 Å²	114	151 Å²	151	61%	0.61	73%	0.728	S	S	*	*			trans	-76.7	106.7	178.7	-176.8	5.6	0	0	0	108.9	R233 R237	R233-N235 PolarHBondContact O-N 2.94Å; N235-R237 PolarHBondContact O-N 3.32Å
236	P	39	Very low	37.4	Very low	88 Å²	88	142.7 Å²	142.7	57%	0.571	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	6.2	-161.6	-19.1	33.5	0	0	0	115.8	I234 V240	I234-P236 WeakPolarHBondContact O-CD 3.44Å; P236-V240 WeakPolarHBondContact O-CG2 3.44Å
237	R	34.5	Very low	37.9	Very low	217 Å²	217	139.3 Å²	139.3	82%	0.819	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	7.8	-162	-69.6	-175.5	171.9	144.8	-2	115.8	N235	N235-R237 PolarHBondContact O-N 3.32Å
238	K	34.5	Very low	38.4	Very low	168 Å²	168	139.3 Å²	139.3	73%	0.73	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-37.9	173.9	-73.6	-171.1	173.5	-175.7	0	114.2
239	D	36.5	Very low	38.3	Very low	109 Å²	109	135.2 Å²	135.2	58%	0.583	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-19	-168.1	-51.2	-46.2	0	0	0	114.5	L241 I242 R243	D239-L241 VanDerWaalsContact C-N 3.3Å; D239-L241 PolarHBondContact O-N 2.96Å; D239-I242 PolarHBondContact O-N 2.91Å; D239-R243 PolarHBondContact O-N 3.29Å
240	V	40	Very low	38.7	Very low	110 Å²	110	131.9 Å²	131.9	67%	0.667	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-26.7	-179.9	179.5	0	0	0	0	112.4	P236	P236-V240 WeakPolarHBondContact O-CG2 3.44Å
241	L	41	Very low	38.9	Very low	162 Å²	162	126.7 Å²	126.7	85%	0.848	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-8.5	179.7	-72.3	169.3	0	0	0	114	D239	D239-L241 VanDerWaalsContact C-N 3.3Å; D239-L241 PolarHBondContact O-N 2.96Å
242	I	40.5	Very low	39.1	Very low	148 Å²	148	122.6 Å²	122.6	76%	0.759	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-22.8	-179.5	-61.7	174.7	0	0	0	111.2	D239 G244	D239-I242 PolarHBondContact O-N 2.91Å; I242-G244 PolarHBondContact O-N 2.88Å
243	R	40.3	Very low	38.9	Very low	201 Å²	201	126.4 Å²	126.4	76%	0.758	60%	0.603	S	S	*	*	S	Bend	trans	-86.2	63.7	176.6	-159.1	155.5	-157.3	148.8	7.5	112.4	D239 D247	D239-R243 PolarHBondContact O-N 3.29Å; R243-D247 IonicContact NE-OD2 2.63Å; R243-D247 PolarHBondContact NE-OD2 3.07Å; R243-D247 IonicContact NH2-OD2 3.83Å
244	G	39	Very low	38.7	Very low	41 Å²	41	120.1 Å²	120.1	42%	0.423	59%	0.593	S	S	.	*			trans	-74.4	172.5	-178.3	0	0	0	0	0	114.8	I242 E246 D247	I242-G244 PolarHBondContact O-N 2.88Å; G244-E246 PolarHBondContact O-N 3.02Å; G244-D247 PolarHBondContact O-N 2.73Å
245	Y	41	Very low	38.2	Very low	120 Å²	120	122.9 Å²	122.9	47%	0.471	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.9	-9.6	-179.7	-168.7	-101.2	0	0	0	114.8	D247 Y248	Y245-D247 PolarHBondContact O-N 3.34Å; Y245-Y248 HydrophobicContact CD2-CD2 4.04Å; Y245-Y248 HydrophobicContact CE2-CD2 4.44Å; Y245-Y248 WeakPolarHBondContact O-CB 3.32Å; Y245-Y248 PolarHBondContact O-N 3.4Å
246	E	39.4	Very low	38.3	Very low	69 Å²	69	125.8 Å²	125.8	32%	0.322	60%	0.604	S	S	.	*	H	α-helix	trans	-43.3	-44	167.2	-100	-90.2	126.3	0	0	113.1	G244 Y248 R249 H250	G244-E246 PolarHBondContact O-N 3.02Å; E246-Y248 PolarHBondContact O-N 2.83Å; E246-R249 PolarHBondContact O-N 2.85Å; E246-H250 PolarHBondContact O-N 3.24Å
247	D	43.5	Very low	37.8	Very low	65 Å²	65	129 Å²	129	35%	0.348	61%	0.611	S	S	.	*	H	α-helix	trans	-59.7	-20.8	178.8	-88	-15.1	0	0	0	112.7	R243 G244 Y245 P251	R243-D247 IonicContact NE-OD2 2.63Å; R243-D247 PolarHBondContact NE-OD2 3.07Å; R243-D247 IonicContact NH2-OD2 3.83Å; G244-D247 PolarHBondContact O-N 2.73Å; Y245-D247 PolarHBondContact O-N 3.34Å; D247-P251 WeakPolarHBondContact O-CG 3.39Å
248	Y	41.5	Very low	37.7	Very low	155 Å²	155	123.3 Å²	123.3	61%	0.608	61%	0.61	S	S	*	*	H	α-helix	trans	-89.7	-13.9	175.4	-74.4	-81.1	0	0	0	114.8	P115 Y245 E246	P115-Y248 WeakPolarHBondContact CD-O 3.47Å; P115-Y248 WeakPolarHBondContact CG-O 3.14Å; Y245-Y248 HydrophobicContact CD2-CD2 4.04Å; Y245-Y248 HydrophobicContact CE2-CD2 4.44Å; Y245-Y248 WeakPolarHBondContact O-CB 3.32Å; Y245-Y248 PolarHBondContact O-N 3.4Å; E246-Y248 PolarHBondContact O-N 2.83Å
249	R	42.5	Very low	37.5	Very low	107 Å²	107	122.8 Å²	122.8	40%	0.404	62%	0.616	S	S	.	*	H	α-helix	trans	-104.9	-36.4	170.8	-95	-179.6	158.9	102.7	-1.1	111.8	E246 D385	E246-R249 PolarHBondContact O-N 2.85Å; R249-D385 IonicContact NH2-OD1 2.69Å; R249-D385 PolarHBondContact NH2-OD1 2.95Å
250	H	45.5	Very low	37.3	Very low	120 Å²	120	128.5 Å²	128.5	56%	0.556	63%	0.629	S	S	*	*	S	Bend	trans	-139.8	84.3	-178.4	-65	-60.3	0	0	0	112.7	E246 V252	E246-H250 PolarHBondContact O-N 3.24Å; H250-V252 PolarHBondContact O-N 3.44Å
251	P	38.7	Very low	36.9	Very low	57 Å²	57	132.8 Å²	132.8	37%	0.37	64%	0.642	S	S	.	*			trans	-65	102	179.1	-16.9	28.2	0	0	0	112.2	P115 P134 D247 M253	P115-P251 HydrophobicContact CB-CG 4.48Å; P115-P251 HydrophobicContact CG-CG 4.5Å; P134-P251 HydrophobicContact CG-CG 4.03Å; D247-P251 WeakPolarHBondContact O-CG 3.39Å; P251-M253 PolarHBondContact O-N 2.87Å
252	V	39.8	Very low	36.6	Very low	64 Å²	64	131 Å²	131	39%	0.388	63%	0.633	S	S	.	*			trans	-83.8	109.2	175.1	-179	0	0	0	0	109	H250 S254	H250-V252 PolarHBondContact O-N 3.44Å; V252-S254 PolarHBondContact O-N 2.87Å
253	M	33.4	Very low	36.2	Very low	179 Å²	179	132.1 Å²	132.1	88%	0.882	64%	0.637	S	S	*	*			trans	-71	79	170.6	-76	-176.2	59.1	0	0	111.6	P251 R255	P251-M253 PolarHBondContact O-N 2.87Å; M253-R255 PolarHBondContact O-N 2.88Å
254	S	30.6	Very low	35.7	Very low	88 Å²	88	128.2 Å²	128.2	62%	0.615	63%	0.632	S	S	*	*			trans	-82.1	98.3	157.8	-172.5	0	0	0	0	108.9	V252 H256	V252-S254 PolarHBondContact O-N 2.87Å; S254-H256 PolarHBondContact O-N 2.86Å
255	R	30.4	Very low	35.3	Very low	198 Å²	198	135.3 Å²	135.3	75%	0.747	65%	0.651	S	S	*	*			trans	-75.6	107.6	156.4	-102.5	-164.9	173.3	-161.8	-0.1	107	M253 E257	M253-R255 PolarHBondContact O-N 2.88Å; R255-E257 VanDerWaalsContact C-N 3.32Å; R255-E257 IonicContact NH1-OE1 2.71Å; R255-E257 PolarHBondContact O-N 3.21Å; R255-E257 VanDerWaalsContact O-N 3.13Å
256	H	32.6	Very low	35.1	Very low	175 Å²	175	134.9 Å²	134.9	81%	0.81	66%	0.663	S	S	*	*			trans	-69.3	98.8	152.6	-92	-108.9	0	0	0	107.3	S254	S254-H256 PolarHBondContact O-N 2.86Å
257	E	28.1	Very low	34.8	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	69%	0.689	S	S	*	*			trans	-87.8	105.2	155.2	-152.5	134.4	-126.9	0	0	104.7	R255 D259	R255-E257 VanDerWaalsContact C-N 3.32Å; R255-E257 IonicContact NH1-OE1 2.71Å; R255-E257 PolarHBondContact O-N 3.21Å; R255-E257 VanDerWaalsContact O-N 3.13Å; E257-D259 PolarHBondContact O-N 3.13Å
258	A	33.8	Very low	34.1	Very low	97 Å²	97	138.9 Å²	138.9	80%	0.802	71%	0.71	S	S	*	*			trans	-77	111.6	174.1	0	0	0	0	0	107.3
259	D	30	Very low	33.4	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	72%	0.722	S	S	*	*			trans	-119.3	143.3	149.3	-151.4	-2.5	0	0	0	109.9	E257	E257-D259 PolarHBondContact O-N 3.13Å
260	R	32.3	Very low	32.8	Very low	230 Å²	230	145 Å²	145	87%	0.868	75%	0.746	S	S	*	*			trans	-93	119.6	-179.9	-71	171	161.4	116.8	-10.5	107.6
261	E	30.6	Very low	32.3	Very low	199 Å²	199	148.3 Å²	148.3	93%	0.93	76%	0.758	S	S	*	*			trans	-129.7	130.5	141.6	-73.6	-159.8	126	0	0	110.3
262	D	34.5	Very low	31.9	Very low	125 Å²	125	154 Å²	154	67%	0.668	79%	0.785	S	S	*	*			trans	-85.5	131.3	-178.2	168.9	36.5	0	0	0	109.4
263	M	32.2	Very low	31.4	Very low	171 Å²	171	157.4 Å²	157.4	84%	0.842	80%	0.801	S	S	*	*			trans	-164.2	107.4	154.3	-100.9	-54.4	94.4	0	0	111.4
264	D	30.3	Very low	31.2	Very low	120 Å²	120	153 Å²	153	64%	0.642	79%	0.787	S	S	*	*			trans	-71.7	174.9	168.5	-88.3	-44.9	0	0	0	113.5
265	F	30.2	Very low	31.1	Very low	189 Å²	189	158 Å²	158	83%	0.829	80%	0.798	S	S	*	*			trans	94.7	147.4	155.9	-73.2	-61.8	0	0	0	119.4
266	P	37.9	Very low	31	Very low	112 Å²	112	155.7 Å²	155.7	73%	0.727	79%	0.793	S	S	*	*				-125.6	-175.2	-106.1	45	-34.6	0	0	0	114.7	S268	P266-S268 PolarHBondContact O-N 2.77Å
267	A	31.7	Very low	30.6	Very low	104 Å²	104	154 Å²	154	86%	0.86	80%	0.8	S	S	*	*			trans	-56.5	129.6	175.3	0	0	0	0	0	113.9
268	S	29	Very low	30.5	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	80%	0.797	S	S	*	*			trans	-143.6	128.9	149	59.7	0	0	0	0	110.6	P266	P266-S268 PolarHBondContact O-N 2.77Å
269	F	27.4	Very low	30.2	Very low	196 Å²	196	158.9 Å²	158.9	86%	0.86	80%	0.799	S	S	*	*			trans	-61.2	137.1	167.8	-98.8	-122.9	0	0	0	109.7
270	H	29.9	Very low	30.1	Very low	195 Å²	195	161.2 Å²	161.2	90%	0.903	80%	0.801	S	S	*	*			trans	-147.9	134.8	135	-110.4	-77.7	0	0	0	111.4
271	K	35.8	Very low	29.9	Very low	188 Å²	188	158.9 Å²	158.9	82%	0.817	80%	0.798	S	S	*	*			trans	-105.2	126.1	-178.8	178.8	-176.8	-177.2	-177.5	0	108
272	L	30.3	Very low	29.8	Very low	177 Å²	177	156.8 Å²	156.8	93%	0.927	79%	0.793	S	S	*	*			trans	-143.9	154	156.7	-145	82.6	0	0	0	110.8
273	D	28.6	Very low	29.5	Very low	136 Å²	136	153.3 Å²	153.3	73%	0.727	79%	0.787	S	S	*	*			trans	-101.9	165.8	-165.4	-162.5	-44.4	0	0	0	111.2
274	S	28.9	Very low	29.9	Very low	85 Å²	85	151.7 Å²	151.7	59%	0.594	79%	0.789	S	S	*	*			trans	90.3	119.2	145.1	-82.9	0	0	0	0	121.7
275	K	29	Very low	29.8	Very low	195 Å²	195	149.6 Å²	149.6	85%	0.848	80%	0.796	S	S	*	*			trans	89.9	115.5	138	-69.1	169.6	-178.3	172.8	0	120.5
276	K	27.1	Very low	29.7	Very low	148 Å²	148	145.9 Å²	145.9	64%	0.643	79%	0.793	S	S	*	*				67.7	88.3	128.9	-156.4	-170	-167.3	-155.9	0	117.5	E278	K276-E278 WeakPolarHBondContact CE-OE1 3.2Å; K276-E278 VanDerWaalsContact CE-OE2 3.25Å; K276-E278 WeakPolarHBondContact CE-OE2 3.32Å; K276-E278 IonicContact NZ-OE1 3.31Å; K276-E278 PolarHBondContact NZ-OE1 3.44Å; K276-E278 IonicContact NZ-OE2 3.75Å; K276-E278 PolarHBondContact NZ-OE2 3.13Å; K276-E278 PolarHBondContact O-N 3.3Å
277	C	25.7	Very low	29.3	Very low	140 Å²	140	147.3 Å²	147.3	95%	0.946	80%	0.795	S	S	*	*			trans	-77.4	92.8	153.8	-66.6	0	0	0	0	109.9
278	E	25.8	Very low	29.2	Very low	141 Å²	141	147.2 Å²	147.2	66%	0.659	79%	0.787	S	S	*	*			trans	-78.2	151.2	154.9	-112.3	161.3	-176.3	0	0	109.5	K276	K276-E278 WeakPolarHBondContact CE-OE1 3.2Å; K276-E278 VanDerWaalsContact CE-OE2 3.25Å; K276-E278 WeakPolarHBondContact CE-OE2 3.32Å; K276-E278 IonicContact NZ-OE1 3.31Å; K276-E278 PolarHBondContact NZ-OE1 3.44Å; K276-E278 IonicContact NZ-OE2 3.75Å; K276-E278 PolarHBondContact NZ-OE2 3.13Å; K276-E278 PolarHBondContact O-N 3.3Å
279	Y	28	Very low	29.3	Very low	215 Å²	215	149.2 Å²	149.2	84%	0.843	79%	0.788	S	S	*	*			trans	-57.7	145.9	171.8	-84.7	-118.2	0	0	0	110.5
280	F	26.5	Very low	29.5	Very low	205 Å²	205	145.6 Å²	145.6	90%	0.899	79%	0.787	S	S	*	*				-171.2	145.7	115.2	-100.1	-70	0	0	0	110.9
281	F	28.9	Very low	29.6	Very low	181 Å²	181	139.8 Å²	139.8	79%	0.794	78%	0.779	S	S	*	*			trans	-112	135.4	170.9	178.3	-82	0	0	0	106.3
282	D	29.2	Very low	29.9	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	78%	0.784	S	S	*	*			trans	-163.6	141.4	150.7	-102.8	-33.5	0	0	0	112.4
283	G	28.3	Very low	29.8	Very low	52 Å²	52	132.9 Å²	132.9	54%	0.536	78%	0.779	S	S	.	*			trans	-105.8	168.3	166.5	0	0	0	0	0	110.8
284	P	39	Very low	30.1	Very low	137 Å²	137	135.9 Å²	135.9	89%	0.89	79%	0.791	S	S	*	*			trans	-89	125.2	-171.4	32.6	-32.8	0	0	0	114.1
285	G	28.1	Very low	30.2	Very low	75 Å²	75	135.6 Å²	135.6	77%	0.773	80%	0.801	S	S	*	*				86.8	105.5	122	0	0	0	0	0	119.8
286	S	29.8	Very low	30.5	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	81%	0.806	S	S	*	*				-167.5	104.2	119	-175.7	0	0	0	0	111.1
287	D	28.6	Very low	30.6	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	81%	0.811	S	S	*	*				13	138.8	127.5	-53	-19	0	0	0	118.3
288	C	30.6	Very low	31	Very low	102 Å²	102	131.2 Å²	131.2	69%	0.689	81%	0.81	S	S	*	*			cis	-173.7	163	-2.3	51.3	0	0	0	0	112.7
289	L	29.6	Very low	31.2	Very low	156 Å²	156	128.2 Å²	128.2	82%	0.817	82%	0.817	S	S	*	*			trans	63.2	102.1	150.4	-68.9	160.1	0	0	0	121.3
290	S	33	Very low	31.5	Very low	120 Å²	120	126.8 Å²	126.8	84%	0.839	82%	0.823	S	S	*	*				159	132.8	108.7	-69	0	0	0	0	112.5
291	G	30.9	Very low	31.6	Very low	72 Å²	72	120.9 Å²	120.9	74%	0.742	82%	0.82	S	S	*	*			trans	-98.9	-150.4	174.6	0	0	0	0	0	113.3
292	P	42.1	Very low	31.7	Very low	141 Å²	141	120.9 Å²	120.9	92%	0.916	83%	0.827	S	S	*	*				-125.8	163.3	-61.4	38.2	-29.5	0	0	0	111.7
293	G	28.8	Very low	31.7	Very low	80 Å²	80	117 Å²	117	83%	0.825	82%	0.824	S	S	*	*			trans	-168.3	115.5	174.6	0	0	0	0	0	115.8
294	M	34.4	Very low	31.9	Very low	199 Å²	199	123 Å²	123	98%	0.98	84%	0.843	S	S	*	*			trans	-73.6	151	164.1	-71.5	119.7	67.7	0	0	110.9
295	G	30.3	Very low	31.4	Very low	78 Å²	78	119.7 Å²	119.7	80%	0.804	83%	0.834	S	S	*	*			trans	-173.4	96.1	173.3	0	0	0	0	0	114.4
296	I	35.3	Very low	31.7	Very low	185 Å²	185	126.2 Å²	126.2	95%	0.949	84%	0.841	S	S	*	*			trans	-83.3	135.9	164.8	-57.1	167.6	0	0	0	107.3
297	G	30.1	Very low	31.7	Very low	73 Å²	73	128.3 Å²	128.3	75%	0.753	84%	0.843	S	S	*	*			trans	-176.6	107.8	175.7	0	0	0	0	0	115.7
298	S	34.4	Very low	32.4	Very low	134 Å²	134	127.1 Å²	127.1	94%	0.937	84%	0.843	S	S	*	*			trans	-71.8	147.1	168	-49.6	0	0	0	0	111.5
299	G	29.3	Very low	32.4	Very low	78 Å²	78	127.1 Å²	127.1	80%	0.804	85%	0.851	S	S	*	*			trans	-158.1	124.2	175.1	0	0	0	0	0	113.2
300	L	33.8	Very low	32.7	Very low	185 Å²	185	127.3 Å²	127.3	97%	0.969	85%	0.851	S	S	*	*			trans	-82.8	147.9	-179.7	-70.1	155.6	0	0	0	111.7
301	G	29.7	Very low	32.8	Very low	80 Å²	80	131 Å²	131	83%	0.825	85%	0.852	S	S	*	*			trans	-141.3	125.3	169.9	0	0	0	0	0	110.9
302	L	30.6	Very low	32.9	Very low	181 Å²	181	133 Å²	133	95%	0.948	85%	0.85	S	S	*	*			trans	-104.2	151.1	-169	-77.9	160.1	0	0	0	113.4
303	G	29.4	Very low	32.4	Very low	75 Å²	75	135 Å²	135	77%	0.773	85%	0.847	S	S	*	*			trans	96.5	156.5	157.9	0	0	0	0	0	116.2
304	L	32.2	Very low	32.7	Very low	177 Å²	177	136.7 Å²	136.7	93%	0.927	84%	0.844	S	S	*	*			cis	-159.6	110.8	-9.3	-175.5	66.5	0	0	0	110.6
305	G	29.3	Very low	32.7	Very low	68 Å²	68	132.7 Å²	132.7	70%	0.701	84%	0.835	S	S	*	*			trans	38.9	127.9	142.8	0	0	0	0	0	123.6
306	K	33.3	Very low	33.1	Very low	212 Å²	212	135.1 Å²	135.1	92%	0.922	84%	0.837	S	S	*	*				-172	103.1	125	-107.3	171	-179.3	177.2	0	113.2
307	D	29.8	Very low	33.2	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	83%	0.83	S	S	*	*			trans	-93.5	163.4	149.3	-79.8	-55.7	0	0	0	107.9
308	P	44.4	Very low	33.6	Very low	118 Å²	118	134.8 Å²	134.8	77%	0.766	83%	0.833	S	S	*	*			cis	-147.6	164.9	33.9	41.9	-22.4	0	0	0	118.8
309	A	30.1	Very low	33.7	Very low	102 Å²	102	137.2 Å²	137.2	84%	0.843	83%	0.827	S	S	*	*			trans	-163.3	132.4	138.5	0	0	0	0	0	111.3
310	I	35.5	Very low	34.1	Very low	161 Å²	161	139.2 Å²	139.2	83%	0.826	83%	0.826	S	S	*	*			trans	-101.3	132.6	-170.7	-65.2	160.8	0	0	0	111.5
311	K	35.6	Very low	34.4	Very low	197 Å²	197	140.4 Å²	140.4	86%	0.857	82%	0.823	S	S	*	*			trans	-156.4	95.9	141.9	-143.6	169	-176.2	178.1	0	114.4
312	T	31.7	Very low	34.7	Very low	115 Å²	115	139.3 Å²	139.3	71%	0.706	81%	0.811	S	S	*	*			trans	5	123.4	143.4	34.1	0	0	0	0	117.5
313	Q	32.3	Very low	35.4	Very low	181 Å²	181	143 Å²	143	85%	0.846	81%	0.813	S	S	*	*				-164.8	169.7	62.4	-114.6	-169.2	-26.9	0	0	111.9
314	P	36.1	Very low	36.1	Very low	116 Å²	116	150.9 Å²	150.9	75%	0.753	82%	0.819	S	S	*	*			trans	-88.1	139.8	-162.3	34.2	-35.6	0	0	0	115.9
315	S	34	Very low	37.1	Very low	115 Å²	115	150.4 Å²	150.4	80%	0.804	81%	0.805	S	S	*	*			trans	-82.2	137.5	165.2	-46.9	0	0	0	0	111.1	L317	S315-L317 PolarHBondContact O-N 2.83Å; S315-L317 VanDerWaalsContact O-N 3.11Å
316	P	39.3	Very low	38.1	Very low	129 Å²	129	158.9 Å²	158.9	84%	0.838	82%	0.816	S	S	*	*			trans	-75	106.3	-179.1	28.8	-33.3	0	0	0	112.1
317	L	35.9	Very low	39	Very low	152 Å²	152	155.8 Å²	155.8	80%	0.796	81%	0.805	S	S	*	*			trans	28.1	98.5	141.8	-165.9	69	0	0	0	116.2	S315 K319	S315-L317 PolarHBondContact O-N 2.83Å; S315-L317 VanDerWaalsContact O-N 3.11Å; L317-K319 PolarHBondContact O-N 3.35Å
318	A	38.8	Very low	39.9	Very low	100 Å²	100	154 Å²	154	83%	0.826	80%	0.795	S	S	*	*			trans	-59.8	101.8	167.2	0	0	0	0	0	110.2
319	K	37.9	Very low	40.6	Very low	184 Å²	184	149.8 Å²	149.8	80%	0.8	77%	0.773	S	S	*	*			trans	-58.4	142	164.7	-67.1	-176.4	179.9	-179.3	0	108.1	L317 K321	L317-K319 PolarHBondContact O-N 3.35Å; K319-K321 PolarHBondContact O-N 3.13Å
320	P	37.6	Very low	42.5	Very low	121 Å²	121	152.4 Å²	152.4	79%	0.786	77%	0.768	S	S	*	*			trans	-55.1	136.5	176.2	24.7	-33.8	0	0	0	108.5	G322	P320-G322 PolarHBondContact O-N 3.13Å
321	K	38.8	Very low	44.8	Very low	210 Å²	210	152.2 Å²	152.2	91%	0.913	76%	0.757	S	S	*	*			trans	-53.2	107.8	171.7	-77.1	177.2	177.5	174.1	0	107	K319	K319-K321 PolarHBondContact O-N 3.13Å
322	G	36.9	Very low	47.3	Very low	56 Å²	56	144 Å²	144	58%	0.577	72%	0.724	S	S	*	*			trans	-52.9	155.4	164.4	0	0	0	0	0	108.5	P320 R324	P320-G322 PolarHBondContact O-N 3.13Å; G322-R324 PolarHBondContact O-N 2.74Å
323	R	43.9	Very low	50	Low	259 Å²	259	145.6 Å²	145.6	98%	0.977	72%	0.717	S	S	*	*			trans	-52.4	83	177	-79.4	177.9	161.7	-163.1	-2.5	110.9	R325	R323-R325 VanDerWaalsContact C-N 3.31Å; R323-R325 PolarHBondContact O-N 3.42Å
324	R	45.2	Very low	52.8	Low	241 Å²	241	137 Å²	137	91%	0.909	68%	0.677	S	S	*	*			trans	-74	97.4	163.2	-86.1	-167.4	173.7	-171	-1.1	105.5	G322	G322-R324 PolarHBondContact O-N 2.74Å
325	R	52.3	Low	55.3	Low	166 Å²	166	134.1 Å²	134.1	63%	0.626	66%	0.655	S	S	*	*			trans	55.5	85	140.8	-168.4	175.8	180	172.9	-5.2	113.7	R323 E327 D328	R323-R325 VanDerWaalsContact C-N 3.31Å; R323-R325 PolarHBondContact O-N 3.42Å; R325-E327 HydrophobicContact CG-CB 4.29Å; R325-E327 WeakPolarHBondContact CG-O 3.32Å; R325-E327 PolarHBondContact NE-O 2.86Å; R325-E327 PolarHBondContact O-N 2.77Å; R325-D328 WeakPolarHBondContact CD-OD2 3.48Å; R325-D328 IonicContact CZ-OD1 2.67Å; R325-D328 IonicContact CZ-OD2 2.88Å; R325-D328 VanDerWaalsContact NE-CG 3.34Å; R325-D328 IonicContact NE-OD1 2.89Å; R325-D328 PolarHBondContact NE-OD1 2.87Å; R325-D328 IonicContact NE-OD2 3.88Å; R325-D328 PolarHBondContact NE-OD2 3.36Å; R325-D328 VanDerWaalsContact NE-OD2 3.13Å; R325-D328 IonicContact NH2-OD1 2.75Å; R325-D328 PolarHBondContact NH2-OD1 2.93Å
326	R	50.6	Low	57.9	Low	246 Å²	246	131.3 Å²	131.3	93%	0.928	63%	0.627	S	S	*	*	S	Bend	trans	-89.6	39.5	155.1	-154.5	-172.7	-159.2	-84.5	3	109.8
327	E	53.6	Low	60.2	Low	148 Å²	148	125.3 Å²	125.3	69%	0.692	59%	0.588	S	S	*	*			trans	-137	68	-176.1	-74.3	-178.2	123.8	0	0	108.2	R325	R325-E327 HydrophobicContact CG-CB 4.29Å; R325-E327 WeakPolarHBondContact CG-O 3.32Å; R325-E327 PolarHBondContact NE-O 2.86Å; R325-E327 PolarHBondContact O-N 2.77Å
328	D	47.9	Very low	62.6	Low	117 Å²	117	122 Å²	122	63%	0.626	57%	0.565	S	S	*	*			trans	-126	43.2	157.6	-75.2	-54.4	0	0	0	108	R325	R325-D328 WeakPolarHBondContact CD-OD2 3.48Å; R325-D328 IonicContact CZ-OD1 2.67Å; R325-D328 IonicContact CZ-OD2 2.88Å; R325-D328 VanDerWaalsContact NE-CG 3.34Å; R325-D328 IonicContact NE-OD1 2.89Å; R325-D328 PolarHBondContact NE-OD1 2.87Å; R325-D328 IonicContact NE-OD2 3.88Å; R325-D328 PolarHBondContact NE-OD2 3.36Å; R325-D328 VanDerWaalsContact NE-OD2 3.13Å; R325-D328 IonicContact NH2-OD1 2.75Å; R325-D328 PolarHBondContact NH2-OD1 2.93Å
329	G	59.3	Low	64.9	Low	30 Å²	30	121.4 Å²	121.4	31%	0.309	55%	0.545	S	S	.	.	S	Bend	trans	-60.1	146.1	159.4	0	0	0	0	0	108.8	R331	G329-R331 VanDerWaalsContact C-N 3.33Å; G329-R331 PolarHBondContact O-N 2.96Å
330	E	69.9	Low	67.3	Low	156 Å²	156	116.7 Å²	116.7	73%	0.729	53%	0.527	S	S	*	.			trans	-65.9	90.2	-174.4	-171.8	170.6	-151.7	0	0	110.6	S332 H343	E330-S332 PolarHBondContact O-N 3.42Å; E330-H343 PolarHBondContact O-CD2 3.38Å; E330-H343 VanDerWaalsContact O-CD2 3.3Å
331	R	83.8	Confident	69.8	Low	158 Å²	158	111.7 Å²	111.7	60%	0.596	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	88.5	-170.8	-165.1	175.6	-176.5	-172.5	1.2	110.7	G329 M340 F341 N342	G329-R331 VanDerWaalsContact C-N 3.33Å; G329-R331 PolarHBondContact O-N 2.96Å; R331-M340 HydrophobicContact CG-CB 4.11Å; R331-M340 HydrophobicContact CG-CE 4.26Å; R331-M340 PolarHBondContact NE-O 3.39Å; R331-M340 VanDerWaalsContact NE-O 3.11Å; R331-M340 PolarHBondContact NH2-O 3.43Å; R331-M340 WeakPolarHBondContact O-CE 3.16Å; R331-F341 CarbonylContact C-O 3.58Å; R331-F341 WeakPolarHBondContact CA-O 3.39Å; R331-N342 WeakPolarHBondContact CG-OD1 3.48Å
332	S	87.6	Confident	72.2	Confident	23 Å²	23	103.4 Å²	103.4	16%	0.161	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	152	-176.9	-72.8	0	0	0	0	113	E330 M340 F341	E330-S332 PolarHBondContact O-N 3.42Å; S332-M340 WeakPolarHBondContact O-CA 3.24Å; S332-F341 PolarHBondContact N-O 3.34Å; S332-F341 WeakPolarHBondContact O-CD1 3.29Å; S332-F341 PolarHBondContact O-N 3.01Å
333	R	89.1	Confident	74.6	Confident	150 Å²	150	105.7 Å²	105.7	57%	0.566	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.3	169.1	-168.9	176.3	-63.9	170.1	3.3	110	R338 M340 A442	R333-R338 VanDerWaalsContact CG-O 3.27Å; R333-R338 WeakPolarHBondContact CG-O 3.26Å; R333-M340 HydrophobicContact CB-SD 3.9Å; R333-M340 HydrophobicContact CG-SD 4.3Å; R333-A442 PolarHBondContact O-N 3.01Å
334	C	90.4	Very high	76.6	Confident	0 Å²	0	101.4 Å²	101.4	0%	0	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-69.2	133	177.1	-177.2	0	0	0	0	111.4	Y336 C337 R338 E339 F341 C351 H439 K440	C334-Y336 VanDerWaalsContact C-N 3.28Å; C334-Y336 PolarHBondContact O-N 3.42Å; C334-Y336 PolarHBondContact SG-N 3.24Å; C334-Y336 VanDerWaalsContact SG-N 3.39Å; C334-C337 WeakPolarHBondContact CB-SG 3.24Å; C334-C337 VanDerWaalsContact SG-SG 3.64Å; C334-R338 WeakPolarHBondContact O-CA 3.46Å; C334-R338 PolarHBondContact O-N 3.27Å; C334-E339 PolarHBondContact N-O 2.95Å; C334-F341 HydrophobicContact CB-CD1 3.83Å; C334-F341 HydrophobicContact CB-CE1 4.02Å; C334-C351 VanDerWaalsContact SG-SG 3.66Å; C334-H439 HydrophobicContact CB-CB 4.17Å; C334-H439 WeakPolarHBondContact CB-ND1 3.48Å; C334-H439 PolarHBondContact SG-ND1 2.98Å; C334-K440 CarbonylContact C-O 3.45Å; C334-K440 VanDerWaalsContact CA-O 3.32Å; C334-K440 WeakPolarHBondContact CA-O 3.22Å
335	I	89.2	Confident	78.5	Confident	56 Å²	56	93.6 Å²	93.6	29%	0.287	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-28	175.6	64.9	179.3	0	0	0	113	A135 K440 A442	A135-I335 WeakPolarHBondContact CB-O 3.36Å; I335-K440 HydrophobicContact CD1-CB 4.12Å; I335-K440 HydrophobicContact CD1-CD 3.88Å; I335-K440 HydrophobicContact CD1-CG 4.02Å; I335-K440 HydrophobicContact CG1-CB 4.15Å; I335-K440 PolarHBondContact N-O 3.43Å; I335-A442 HydrophobicContact CG2-CB 3.84Å
336	Y	88.8	Confident	80.4	Confident	56 Å²	56	86.5 Å²	86.5	22%	0.22	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-47.5	-173.4	-54	-62.4	0	0	0	112.9	A135 R138 C334 A354 P355 K440	A135-Y336 WeakPolarHBondContact CB-O 3.37Å; R138-Y336 PolarHBondContact NH2-O 2.87Å; C334-Y336 VanDerWaalsContact C-N 3.28Å; C334-Y336 PolarHBondContact O-N 3.42Å; C334-Y336 PolarHBondContact SG-N 3.24Å; C334-Y336 VanDerWaalsContact SG-N 3.39Å; Y336-A354 HydrophobicContact CD2-CB 3.45Å; Y336-A354 VanDerWaalsContact CD2-CB 3.45Å; Y336-A354 HydrophobicContact CE2-CB 3.88Å; Y336-A354 HydrophobicContact CG-CB 3.96Å; Y336-P355 VanDerWaalsContact CE1-CD 3.43Å; Y336-P355 HydrophobicContact CE1-CG 4.07Å; Y336-K440 HydrophobicContact CD2-CB 4.27Å; Y336-K440 HydrophobicContact CE2-CB 3.52Å
337	C	86.6	Confident	82.1	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.014	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.7	-177.9	66.4	0	0	0	0	114.9	R142 C334 E339 C351 D353	R142-C337 PolarHBondContact NH2-O 3.14Å; C334-C337 WeakPolarHBondContact CB-SG 3.24Å; C334-C337 VanDerWaalsContact SG-SG 3.64Å; C337-E339 PolarHBondContact O-N 2.99Å; C337-E339 VanDerWaalsContact O-N 3.13Å; C337-E339 PolarHBondContact SG-OE2 3.2Å; C337-C351 VanDerWaalsContact SG-SG 3.65Å; C337-D353 WeakPolarHBondContact CA-OD2 3.41Å; C337-D353 HydrophobicContact CB-CB 3.89Å; C337-D353 WeakPolarHBondContact CB-OD2 3.25Å
338	R	86.6	Confident	83.7	Confident	84 Å²	84	78.4 Å²	78.4	32%	0.317	36%	0.359	S	S	.	.			trans	62.7	2.4	-172.4	-52.5	-59.4	-147.5	176.8	1.7	116.2	S133 A135 D136 A139 R333 C334	S133-R338 PolarHBondContact OG-NH2 3.25Å; A135-R338 HydrophobicContact CB-CG 4.12Å; D136-R338 IonicContact OD1-CZ 3.07Å; D136-R338 IonicContact OD1-NE 2.9Å; D136-R338 PolarHBondContact OD1-NE 3.38Å; D136-R338 IonicContact OD1-NH2 3.59Å; D136-R338 PolarHBondContact OD1-NH2 3.11Å; D136-R338 IonicContact OD2-CZ 2.63Å; D136-R338 IonicContact OD2-NH2 2.78Å; D136-R338 PolarHBondContact OD2-NH2 3.4Å; A139-R338 HydrophobicContact CB-CB 3.98Å; A139-R338 HydrophobicContact CB-CG 4.03Å; R333-R338 VanDerWaalsContact CG-O 3.27Å; R333-R338 WeakPolarHBondContact CG-O 3.26Å; C334-R338 WeakPolarHBondContact O-CA 3.46Å; C334-R338 PolarHBondContact O-N 3.27Å
339	E	87	Confident	85.5	Confident	87 Å²	87	74 Å²	74	41%	0.407	34%	0.34	S	S	.	.			trans	-77.2	157.2	176.4	-69.1	151.2	-175.5	0	0	112.3	R142 C334 C337	R142-E339 IonicContact CZ-OE1 3.07Å; R142-E339 VanDerWaalsContact CZ-OE1 3.29Å; R142-E339 IonicContact NE-OE1 2.74Å; R142-E339 PolarHBondContact NE-OE1 2.98Å; R142-E339 VanDerWaalsContact NE-OE1 3.09Å; R142-E339 VanDerWaalsContact NH2-CD 3.33Å; R142-E339 IonicContact NH2-OE1 3.13Å; R142-E339 PolarHBondContact NH2-OE1 2.94Å; R142-E339 IonicContact NH2-OE2 3.29Å; C334-E339 PolarHBondContact N-O 2.95Å; C337-E339 PolarHBondContact O-N 2.99Å; C337-E339 VanDerWaalsContact O-N 3.13Å; C337-E339 PolarHBondContact SG-OE2 3.2Å
340	M	87.8	Confident	87	Confident	85 Å²	85	76.4 Å²	76.4	42%	0.419	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.7	-177.3	-64.7	-70.3	-69.2	0	0	110.3	R331 S332 R333	R331-M340 HydrophobicContact CG-CB 4.11Å; R331-M340 HydrophobicContact CG-CE 4.26Å; R331-M340 PolarHBondContact NE-O 3.39Å; R331-M340 VanDerWaalsContact NE-O 3.11Å; R331-M340 PolarHBondContact NH2-O 3.43Å; R331-M340 WeakPolarHBondContact O-CE 3.16Å; S332-M340 WeakPolarHBondContact O-CA 3.24Å; R333-M340 HydrophobicContact CB-SD 3.9Å; R333-M340 HydrophobicContact CG-SD 4.3Å
341	F	90.3	Very high	87.9	Confident	15 Å²	15	69.1 Å²	69.1	7%	0.066	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.8	-174.3	77.2	-78.2	0	0	0	111.4	R331 S332 C334 H343 N346 H439 A441	R331-F341 CarbonylContact C-O 3.58Å; R331-F341 WeakPolarHBondContact CA-O 3.39Å; S332-F341 PolarHBondContact N-O 3.34Å; S332-F341 WeakPolarHBondContact O-CD1 3.29Å; S332-F341 PolarHBondContact O-N 3.01Å; C334-F341 HydrophobicContact CB-CD1 3.83Å; C334-F341 HydrophobicContact CB-CE1 4.02Å; F341-H343 AromaticContact CE2-ND1 3.94Å; F341-H343 AromaticContact CZ-NE2 3.89Å; F341-N346 HydrophobicContact CD2-CB 4.19Å; F341-N346 HydrophobicContact CE2-CB 4.34Å; F341-H439 HydrophobicContact CB-CB 4.22Å; F341-H439 HydrophobicContact CD1-CB 3.59Å; F341-H439 AromaticContact CD1-CG 3.96Å; F341-H439 HydrophobicContact CD2-CB 3.41Å; F341-H439 VanDerWaalsContact CD2-CB 3.41Å; F341-H439 AromaticContact CD2-CG 3.95Å; F341-H439 HydrophobicContact CE1-CB 3.72Å; F341-H439 HydrophobicContact CE2-CB 3.56Å; F341-H439 HydrophobicContact CG-CB 3.44Å; F341-H439 VanDerWaalsContact CG-CB 3.44Å; F341-H439 AromaticContact CG-CG 3.63Å; F341-H439 HydrophobicContact CZ-CB 3.72Å; F341-A441 HydrophobicContact CE1-CB 4.5Å; F341-A441 HydrophobicContact CZ-CB 4.18Å
342	N	89.5	Confident	88	Confident	37 Å²	37	70.7 Å²	70.7	20%	0.198	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.2	170.6	-58.5	-29.6	0	0	0	109.4	R331 E344 D345	R331-N342 WeakPolarHBondContact CG-OD1 3.48Å; N342-E344 VanDerWaalsContact C-N 3.3Å; N342-E344 PolarHBondContact O-N 3.4Å; N342-D345 HydrophobicContact CB-CB 4.34Å; N342-D345 VanDerWaalsContact CB-OD2 3.29Å; N342-D345 WeakPolarHBondContact CB-OD2 3.42Å; N342-D345 PolarHBondContact ND2-OD2 3.25Å; N342-D345 PolarHBondContact O-N 3.01Å
343	H	86.7	Confident	87.9	Confident	103 Å²	103	71.7 Å²	71.7	48%	0.477	33%	0.327	S	S	.	.	S	Bend	trans	-66.4	-30.7	176.4	-72.8	-83.7	0	0	0	113.4	E330 F341 N346 A441	E330-H343 PolarHBondContact O-CD2 3.38Å; E330-H343 VanDerWaalsContact O-CD2 3.3Å; F341-H343 AromaticContact CE2-ND1 3.94Å; F341-H343 AromaticContact CZ-NE2 3.89Å; H343-N346 WeakPolarHBondContact O-CB 3.4Å; H343-N346 PolarHBondContact O-N 2.92Å; H343-A441 WeakPolarHBondContact NE2-CB 3.36Å
344	E	86.1	Confident	87.9	Confident	170 Å²	170	65 Å²	65	79%	0.794	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-36.9	178.4	-58.6	-172.4	169.8	0	0	111.9	N342 N346	N342-E344 VanDerWaalsContact C-N 3.3Å; N342-E344 PolarHBondContact O-N 3.4Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.29Å
345	D	86.3	Confident	87.6	Confident	77 Å²	77	68.1 Å²	68.1	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	12.2	-180	-54.4	-54.6	0	0	0	113.6	N342 W347	N342-D345 HydrophobicContact CB-CB 4.34Å; N342-D345 VanDerWaalsContact CB-OD2 3.29Å; N342-D345 WeakPolarHBondContact CB-OD2 3.42Å; N342-D345 PolarHBondContact ND2-OD2 3.25Å; N342-D345 PolarHBondContact O-N 3.01Å; D345-W347 HydrophobicContact CB-CZ3 3.92Å; D345-W347 WeakPolarHBondContact O-CZ3 3.45Å; D345-W347 PolarHBondContact O-N 3.45Å
346	N	90.3	Very high	87.6	Confident	17 Å²	17	66 Å²	66	9%	0.091	31%	0.314	C	S	.	.			trans	-93.2	64.2	-172.9	-169.9	20.1	0	0	0	112.7	F341 H343 E344 K438 H439	F341-N346 HydrophobicContact CD2-CB 4.19Å; F341-N346 HydrophobicContact CE2-CB 4.34Å; H343-N346 WeakPolarHBondContact O-CB 3.4Å; H343-N346 PolarHBondContact O-N 2.92Å; E344-N346 VanDerWaalsContact C-N 3.31Å; E344-N346 PolarHBondContact O-N 3.29Å; N346-K438 WeakPolarHBondContact O-CE 3.39Å; N346-K438 PolarHBondContact O-NZ 3.34Å; N346-H439 PolarHBondContact ND2-O 2.85Å; N346-H439 PolarHBondContact OD1-N 2.9Å
347	W	87.4	Confident	87.5	Confident	100 Å²	100	67.9 Å²	67.9	38%	0.379	33%	0.333	S	S	.	.			trans	-74.4	168.5	171.5	56.3	79.1	0	0	0	112.4	D345 Q350 H433	D345-W347 HydrophobicContact CB-CZ3 3.92Å; D345-W347 WeakPolarHBondContact O-CZ3 3.45Å; D345-W347 PolarHBondContact O-N 3.45Å; W347-Q350 VanDerWaalsContact CE2-OE1 3.26Å; W347-Q350 HydrophobicContact CG-CB 4.49Å; W347-Q350 WeakPolarHBondContact O-CB 3.13Å; W347-H433 HydrophobicContact CB-CB 4.3Å; W347-H433 AromaticContact CD1-CE1 3.55Å; W347-H433 AromaticContact CD1-CG 3.83Å; W347-H433 AromaticContact CD1-ND1 3.34Å; W347-H433 VanDerWaalsContact CD1-ND1 3.34Å; W347-H433 AromaticContact NE1-CE1 3.6Å; W347-H433 AromaticContact NE1-ND1 3.85Å
348	R	87.2	Confident	87.5	Confident	124 Å²	124	71.4 Å²	71.4	47%	0.468	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	141.4	-179.4	-57.4	178	177.3	-80.8	3.8	110	Q350 H433 C434 C435 K438	R348-Q350 VanDerWaalsContact C-N 3.32Å; R348-H433 WeakPolarHBondContact CB-O 3.25Å; R348-C434 WeakPolarHBondContact CD-O 3.34Å; R348-C435 CarbonylContact C-O 3.53Å; R348-C435 VanDerWaalsContact C-O 3.3Å; R348-C435 WeakPolarHBondContact CB-O 3.33Å; R348-K438 HydrophobicContact CG-CD 4.21Å; R348-K438 HydrophobicContact CG-CG 4.23Å
349	G	86.6	Confident	87.6	Confident	23 Å²	23	73.3 Å²	73.3	24%	0.237	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-10.7	-173.4	0	0	0	0	0	114.1	C351 C435 G436 G437	G349-C351 VanDerWaalsContact C-N 3.31Å; G349-C351 PolarHBondContact O-N 3.21Å; G349-C435 PolarHBondContact N-O 3.43Å; G349-G436 VanDerWaalsContact N-C 3.31Å; G349-G436 PolarHBondContact N-O 3.17Å; G349-G437 CarbonylContact C-O 3.55Å; G349-G437 WeakPolarHBondContact CA-O 3.04Å; G349-G437 PolarHBondContact N-O 2.89Å
350	Q	88.9	Confident	87.6	Confident	82 Å²	82	72.3 Å²	72.3	38%	0.383	36%	0.357	S	S	.	.	S	Bend	trans	-69.7	-25.5	-174.9	-166.2	62.9	-5.9	0	0	113.6	W347 R348 G437 H439	W347-Q350 VanDerWaalsContact CE2-OE1 3.26Å; W347-Q350 HydrophobicContact CG-CB 4.49Å; W347-Q350 WeakPolarHBondContact O-CB 3.13Å; R348-Q350 VanDerWaalsContact C-N 3.32Å; Q350-G437 PolarHBondContact N-O 3.28Å; Q350-H439 PolarHBondContact O-NE2 3.3Å
351	C	88.8	Confident	87.7	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.02	36%	0.359	C	S	.	.			trans	-113	102.8	177.9	-166.5	0	0	0	0	112	C334 C337 G349 D353 A354 G437 H439	C334-C351 VanDerWaalsContact SG-SG 3.66Å; C337-C351 VanDerWaalsContact SG-SG 3.65Å; G349-C351 VanDerWaalsContact C-N 3.31Å; G349-C351 PolarHBondContact O-N 3.21Å; C351-D353 VanDerWaalsContact C-N 3.3Å; C351-D353 PolarHBondContact O-N 2.8Å; C351-A354 HydrophobicContact CB-CB 3.79Å; C351-A354 WeakPolarHBondContact O-CB 3.29Å; C351-A354 PolarHBondContact O-N 2.9Å; C351-G437 PolarHBondContact N-O 3.44Å; C351-H439 HydrophobicContact CB-CB 4.41Å
352	Q	85.9	Confident	87.7	Confident	191 Å²	191	71.7 Å²	71.7	89%	0.893	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.9	178.8	-60.9	177.2	12.2	0	0	113.7	A354	Q352-A354 VanDerWaalsContact C-N 3.34Å
353	D	86.4	Confident	87.7	Confident	43 Å²	43	71.7 Å²	71.7	23%	0.23	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.1	178.8	-72.6	-40.6	0	0	0	113.4	R138 R142 C337 C351	R138-D353 WeakPolarHBondContact CD-OD1 3.44Å; R138-D353 IonicContact NE-OD1 2.86Å; R138-D353 PolarHBondContact NE-OD1 2.99Å; R138-D353 VanDerWaalsContact NE-OD1 3.07Å; R138-D353 IonicContact NE-OD2 2.73Å; R142-D353 IonicContact CZ-OD2 3.69Å; R142-D353 IonicContact NH1-OD1 2.77Å; R142-D353 IonicContact NH1-OD2 3.89Å; R142-D353 PolarHBondContact NH1-OD2 3.06Å; R142-D353 IonicContact NH2-OD2 3.64Å; C337-D353 WeakPolarHBondContact CA-OD2 3.41Å; C337-D353 HydrophobicContact CB-CB 3.89Å; C337-D353 WeakPolarHBondContact CB-OD2 3.25Å; C351-D353 VanDerWaalsContact C-N 3.3Å; C351-D353 PolarHBondContact O-N 2.8Å
354	A	88.3	Confident	87.8	Confident	11 Å²	11	74.3 Å²	74.3	9%	0.091	37%	0.368	C	S	.	.	S	Bend	trans	-80.8	145.4	-177.2	0	0	0	0	0	111.4	Y336 C351 Q352 D356 K438	Y336-A354 HydrophobicContact CD2-CB 3.45Å; Y336-A354 VanDerWaalsContact CD2-CB 3.45Å; Y336-A354 HydrophobicContact CE2-CB 3.88Å; Y336-A354 HydrophobicContact CG-CB 3.96Å; C351-A354 HydrophobicContact CB-CB 3.79Å; C351-A354 WeakPolarHBondContact O-CB 3.29Å; C351-A354 PolarHBondContact O-N 2.9Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; A354-D356 PolarHBondContact O-N 2.87Å; A354-K438 WeakPolarHBondContact CB-O 3.13Å
355	P	85.6	Confident	88	Confident	64 Å²	64	70.5 Å²	70.5	42%	0.416	36%	0.356	S	S	.	.			trans	-65	126.9	178.2	27.4	-34.1	0	0	0	110.6	Y336	Y336-P355 VanDerWaalsContact CE1-CD 3.43Å; Y336-P355 HydrophobicContact CE1-CG 4.07Å
356	D	88.4	Confident	88.3	Confident	13 Å²	13	66.9 Å²	66.9	7%	0.07	34%	0.336	C	S	.	.			trans	-107	112.7	174.7	-176.1	-14.2	0	0	0	110.5	A354 I358 K359 Q360 H426 G436	A354-D356 PolarHBondContact O-N 2.87Å; D356-I358 VanDerWaalsContact C-N 3.27Å; D356-I358 PolarHBondContact O-N 2.89Å; D356-I358 WeakPolarHBondContact OD1-CA 3.43Å; D356-I358 WeakPolarHBondContact OD1-CB 3.47Å; D356-I358 PolarHBondContact OD1-N 3.07Å; D356-K359 HydrophobicContact CB-CB 3.83Å; D356-K359 PolarHBondContact O-N 3.15Å; D356-K359 PolarHBondContact OD1-N 3.43Å; D356-Q360 WeakPolarHBondContact O-CG 3.22Å; D356-Q360 PolarHBondContact O-N 3.17Å; D356-H426 IonicContact OD2-CD2 3.42Å; D356-H426 IonicContact OD2-CE1 3.5Å; D356-H426 IonicContact OD2-NE2 3.7Å; D356-H426 PolarHBondContact OD2-NE2 2.78Å; D356-G436 WeakPolarHBondContact OD2-CA 3.35Å; D356-G436 PolarHBondContact OD2-N 3.2Å
357	P	86.4	Confident	88.2	Confident	94 Å²	94	67.7 Å²	67.7	61%	0.61	34%	0.343	S	S	*	.	H	α-helix	trans	-67.1	-25.9	179.6	29.3	-35.6	0	0	0	113.1	C361	P357-C361 VanDerWaalsContact O-CB 3.25Å; P357-C361 WeakPolarHBondContact O-CB 3.47Å; P357-C361 PolarHBondContact O-N 3.37Å
358	I	87.8	Confident	88.3	Confident	76 Å²	76	63.5 Å²	63.5	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-74.7	-43.6	177.6	-68.2	166.3	0	0	0	109.4	D356 Q360 C361 I362 C435	D356-I358 VanDerWaalsContact C-N 3.27Å; D356-I358 PolarHBondContact O-N 2.89Å; D356-I358 WeakPolarHBondContact OD1-CA 3.43Å; D356-I358 WeakPolarHBondContact OD1-CB 3.47Å; D356-I358 PolarHBondContact OD1-N 3.07Å; I358-Q360 VanDerWaalsContact C-N 3.33Å; I358-Q360 PolarHBondContact O-N 3.38Å; I358-C361 WeakPolarHBondContact O-CB 3.34Å; I358-C361 PolarHBondContact O-N 3.42Å; I358-C361 VanDerWaalsContact O-N 3.15Å; I358-I362 HydrophobicContact CG2-CD1 4Å; I358-I362 VanDerWaalsContact O-CG1 3.29Å; I358-I362 WeakPolarHBondContact O-CG1 2.91Å; I358-I362 PolarHBondContact O-N 3.24Å; I358-C435 HydrophobicContact CD1-CB 3.38Å
359	K	87.3	Confident	88.3	Confident	125 Å²	125	62 Å²	62	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-43.2	173	-167.7	175.2	179.6	178.5	0	111.8	D356 I362 Y363	D356-K359 HydrophobicContact CB-CB 3.83Å; D356-K359 PolarHBondContact O-N 3.15Å; D356-K359 PolarHBondContact OD1-N 3.43Å; K359-I362 PolarHBondContact O-N 3.36Å; K359-Y363 WeakPolarHBondContact O-CB 3.4Å; K359-Y363 PolarHBondContact O-N 3Å
360	Q	87.4	Confident	88.4	Confident	65 Å²	65	63.7 Å²	63.7	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-64.3	-38.6	173.3	-71.5	178.2	-6	0	0	113.1	D356 I358 Y363 K364	D356-Q360 WeakPolarHBondContact O-CG 3.22Å; D356-Q360 PolarHBondContact O-N 3.17Å; I358-Q360 VanDerWaalsContact C-N 3.33Å; I358-Q360 PolarHBondContact O-N 3.38Å; Q360-Y363 PolarHBondContact O-N 3.4Å; Q360-K364 WeakPolarHBondContact O-CG 3Å; Q360-K364 PolarHBondContact O-N 2.96Å; Q360-K364 VanDerWaalsContact O-N 3.09Å
361	C	89.8	Confident	88.5	Confident	70 Å²	70	59.9 Å²	59.9	47%	0.473	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-48.5	175.6	-175.2	0	0	0	0	111	P357 I358 Y363 K364 V365	P357-C361 VanDerWaalsContact O-CB 3.25Å; P357-C361 WeakPolarHBondContact O-CB 3.47Å; P357-C361 PolarHBondContact O-N 3.37Å; I358-C361 WeakPolarHBondContact O-CB 3.34Å; I358-C361 PolarHBondContact O-N 3.42Å; I358-C361 VanDerWaalsContact O-N 3.15Å; C361-Y363 VanDerWaalsContact C-N 3.32Å; C361-Y363 PolarHBondContact O-N 3.4Å; C361-K364 PolarHBondContact O-N 2.8Å; C361-V365 WeakPolarHBondContact O-CB 3.27Å; C361-V365 VanDerWaalsContact O-CG2 3.32Å; C361-V365 WeakPolarHBondContact O-CG2 3.38Å; C361-V365 PolarHBondContact O-N 2.96Å
362	I	90.8	Very high	88.5	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-55.9	-48.9	176.1	-69	167.6	0	0	0	110.3	I358 K359 K364 V365 S366 Y419 L422 H426	I358-I362 HydrophobicContact CG2-CD1 4Å; I358-I362 VanDerWaalsContact O-CG1 3.29Å; I358-I362 WeakPolarHBondContact O-CG1 2.91Å; I358-I362 PolarHBondContact O-N 3.24Å; K359-I362 PolarHBondContact O-N 3.36Å; I362-K364 VanDerWaalsContact C-N 3.32Å; I362-K364 PolarHBondContact O-N 2.94Å; I362-V365 PolarHBondContact O-N 3.31Å; I362-S366 VanDerWaalsContact O-CB 3.3Å; I362-S366 WeakPolarHBondContact O-CB 3.31Å; I362-S366 PolarHBondContact O-N 2.67Å; I362-S366 PolarHBondContact O-OG 3.11Å; I362-Y419 HydrophobicContact CG2-CD2 3.86Å; I362-Y419 HydrophobicContact CG2-CE2 4.1Å; I362-L422 HydrophobicContact CB-CB 4.41Å; I362-L422 HydrophobicContact CD1-CB 4.24Å; I362-L422 WeakPolarHBondContact CD1-O 3.39Å; I362-L422 HydrophobicContact CG1-CB 4Å; I362-L422 HydrophobicContact CG2-CB 3.64Å; I362-L422 HydrophobicContact CG2-CD1 4.3Å; I362-H426 HydrophobicContact CD1-CB 3.52Å
363	Y	89.6	Confident	88.6	Confident	37 Å²	37	55.7 Å²	55.7	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-41.7	-179.5	-166.6	-82.8	0	0	0	112.7	K359 Q360 C361 C367 M368 L369 E372	K359-Y363 WeakPolarHBondContact O-CB 3.4Å; K359-Y363 PolarHBondContact O-N 3Å; Q360-Y363 PolarHBondContact O-N 3.4Å; C361-Y363 VanDerWaalsContact C-N 3.32Å; C361-Y363 PolarHBondContact O-N 3.4Å; Y363-C367 PolarHBondContact O-N 3.48Å; Y363-M368 HydrophobicContact CD1-CB 4.25Å; Y363-M368 HydrophobicContact CD2-CB 3.72Å; Y363-M368 HydrophobicContact CD2-CG 4.46Å; Y363-M368 HydrophobicContact CE1-CB 4.01Å; Y363-M368 HydrophobicContact CE2-CB 3.48Å; Y363-M368 VanDerWaalsContact CE2-CB 3.48Å; Y363-M368 HydrophobicContact CE2-CG 4.47Å; Y363-M368 HydrophobicContact CG-CB 4.08Å; Y363-M368 PolarHBondContact O-N 3.45Å; Y363-M368 VanDerWaalsContact O-N 3.13Å; Y363-M368 PolarHBondContact OH-O 2.8Å; Y363-L369 HydrophobicContact CE1-CB 3.89Å; Y363-L369 HydrophobicContact CE1-CD1 4.42Å; Y363-L369 VanDerWaalsContact CE1-N 3.33Å; Y363-L369 PolarHBondContact OH-N 2.99Å; Y363-E372 WeakPolarHBondContact CE2-OE1 3.28Å; Y363-E372 WeakPolarHBondContact OH-CG 3.41Å; Y363-E372 PolarHBondContact OH-OE1 2.89Å; Y363-E372 PolarHBondContact OH-OE2 3.35Å
364	K	88.2	Confident	88.8	Confident	159 Å²	159	55.3 Å²	55.3	69%	0.691	30%	0.303	S	S	*	.	H	α-helix	trans	-70.2	-48.8	175.9	-71	172.9	-178.2	177.9	0	112.8	Q360 C361 I362 S366 C367	Q360-K364 WeakPolarHBondContact O-CG 3Å; Q360-K364 PolarHBondContact O-N 2.96Å; Q360-K364 VanDerWaalsContact O-N 3.09Å; C361-K364 PolarHBondContact O-N 2.8Å; I362-K364 VanDerWaalsContact C-N 3.32Å; I362-K364 PolarHBondContact O-N 2.94Å; K364-S366 VanDerWaalsContact C-N 3.35Å; K364-S366 PolarHBondContact O-N 3.49Å; K364-C367 PolarHBondContact O-N 2.94Å; K364-C367 VanDerWaalsContact O-N 3.16Å
365	V	90.5	Very high	88.9	Confident	90 Å²	90	54.9 Å²	54.9	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-35.9	-176.5	170.6	0	0	0	0	111.9	C361 I362 C367 C415 L422	C361-V365 WeakPolarHBondContact O-CB 3.27Å; C361-V365 VanDerWaalsContact O-CG2 3.32Å; C361-V365 WeakPolarHBondContact O-CG2 3.38Å; C361-V365 PolarHBondContact O-N 2.96Å; I362-V365 PolarHBondContact O-N 3.31Å; V365-C367 VanDerWaalsContact C-N 3.26Å; V365-C367 PolarHBondContact O-N 3.29Å; V365-C415 WeakPolarHBondContact O-CB 3.34Å; V365-L422 HydrophobicContact CG1-CD1 4.48Å
366	S	92	Very high	88.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.8	175.4	63.5	0	0	0	0	114	I362 K364 M368 C415 M416 Y419	I362-S366 VanDerWaalsContact O-CB 3.3Å; I362-S366 WeakPolarHBondContact O-CB 3.31Å; I362-S366 PolarHBondContact O-N 2.67Å; I362-S366 PolarHBondContact O-OG 3.11Å; K364-S366 VanDerWaalsContact C-N 3.35Å; K364-S366 PolarHBondContact O-N 3.49Å; S366-M368 PolarHBondContact O-N 3.4Å; S366-M368 VanDerWaalsContact O-N 3.12Å; S366-M368 WeakPolarHBondContact OG-CG 3.3Å; S366-C415 VanDerWaalsContact CA-O 3.32Å; S366-C415 WeakPolarHBondContact CA-O 3.17Å; S366-C415 WeakPolarHBondContact CB-O 3.36Å; S366-C415 CarbonylContact O-C 3.35Å; S366-M416 WeakPolarHBondContact O-CA 3.4Å; S366-M416 WeakPolarHBondContact O-CG 3.32Å; S366-M416 PolarHBondContact O-N 3.38Å; S366-Y419 VanDerWaalsContact OG-CD2 3.32Å; S366-Y419 WeakPolarHBondContact OG-CD2 3.41Å
367	C	89.9	Confident	88.7	Confident	35 Å²	35	62.4 Å²	62.4	24%	0.236	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.4	176.6	-48	0	0	0	0	115	Y363 K364 V365 L369 C370 C415 M416	Y363-C367 PolarHBondContact O-N 3.48Å; K364-C367 PolarHBondContact O-N 2.94Å; K364-C367 VanDerWaalsContact O-N 3.16Å; V365-C367 VanDerWaalsContact C-N 3.26Å; V365-C367 PolarHBondContact O-N 3.29Å; C367-L369 PolarHBondContact O-N 3.19Å; C367-L369 VanDerWaalsContact O-N 3.09Å; C367-C370 VanDerWaalsContact O-CB 3.25Å; C367-C370 WeakPolarHBondContact O-CB 3.32Å; C367-C370 PolarHBondContact O-N 2.87Å; C367-C415 HydrophobicContact CB-CB 4.06Å; C367-C415 WeakPolarHBondContact CB-SG 3.49Å; C367-C415 WeakPolarHBondContact SG-CB 3.2Å; C367-C415 CovalentContact SG-SG 2.04Å; C367-C415 PolarHBondContact SG-SG 3.03Å; C367-M416 HydrophobicContact CB-CG 4.32Å
368	M	88.4	Confident	88.6	Confident	11 Å²	11	62.5 Å²	62.5	5%	0.054	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-23.3	-175.1	-77.5	-64.3	-65.2	0	0	113.7	Y363 S366 C370 A371 E372 P389 Y419	Y363-M368 HydrophobicContact CD1-CB 4.25Å; Y363-M368 HydrophobicContact CD2-CB 3.72Å; Y363-M368 HydrophobicContact CD2-CG 4.46Å; Y363-M368 HydrophobicContact CE1-CB 4.01Å; Y363-M368 HydrophobicContact CE2-CB 3.48Å; Y363-M368 VanDerWaalsContact CE2-CB 3.48Å; Y363-M368 HydrophobicContact CE2-CG 4.47Å; Y363-M368 HydrophobicContact CG-CB 4.08Å; Y363-M368 PolarHBondContact O-N 3.45Å; Y363-M368 VanDerWaalsContact O-N 3.13Å; Y363-M368 PolarHBondContact OH-O 2.8Å; S366-M368 PolarHBondContact O-N 3.4Å; S366-M368 VanDerWaalsContact O-N 3.12Å; S366-M368 WeakPolarHBondContact OG-CG 3.3Å; M368-C370 PolarHBondContact O-N 2.99Å; M368-A371 HydrophobicContact CE-CB 4.41Å; M368-A371 WeakPolarHBondContact O-CA 3.41Å; M368-A371 WeakPolarHBondContact O-CB 3.41Å; M368-A371 PolarHBondContact O-N 3.11Å; M368-E372 PolarHBondContact O-N 3.36Å; M368-E372 VanDerWaalsContact O-N 3.09Å; M368-P389 HydrophobicContact CE-CB 3.71Å; M368-P389 HydrophobicContact CE-CG 4.14Å; M368-Y419 HydrophobicContact CE-CD1 3.91Å; M368-Y419 HydrophobicContact CE-CE1 3.85Å; M368-Y419 HydrophobicContact CE-CG 4.37Å; M368-Y419 HydrophobicContact CG-CD1 4.09Å; M368-Y419 HydrophobicContact CG-CD2 3.43Å; M368-Y419 VanDerWaalsContact CG-CD2 3.43Å; M368-Y419 HydrophobicContact CG-CE1 4.4Å; M368-Y419 HydrophobicContact CG-CE2 3.77Å; M368-Y419 HydrophobicContact CG-CG 3.58Å; M368-Y419 HydrophobicContact SD-CD1 3.69Å; M368-Y419 HydrophobicContact SD-CD2 4.15Å; M368-Y419 HydrophobicContact SD-CE1 4.21Å; M368-Y419 HydrophobicContact SD-CG 3.64Å
369	L	87.1	Confident	88.4	Confident	92 Å²	92	60.8 Å²	60.8	48%	0.482	32%	0.317	S	S	.	.	H	α-helix	trans	-56.6	-31	171.1	-170.3	64.1	0	0	0	112.5	Y363 C367 S373	Y363-L369 HydrophobicContact CE1-CB 3.89Å; Y363-L369 HydrophobicContact CE1-CD1 4.42Å; Y363-L369 VanDerWaalsContact CE1-N 3.33Å; Y363-L369 PolarHBondContact OH-N 2.99Å; C367-L369 PolarHBondContact O-N 3.19Å; C367-L369 VanDerWaalsContact O-N 3.09Å; L369-S373 VanDerWaalsContact O-CB 3.27Å; L369-S373 WeakPolarHBondContact O-CB 3.19Å; L369-S373 PolarHBondContact O-N 3.14Å; L369-S373 PolarHBondContact O-OG 3.37Å
370	C	89.8	Confident	88.2	Confident	60 Å²	60	57 Å²	57	41%	0.405	31%	0.306	S	S	.	.	H	α-helix	trans	-67.7	-38	174.8	-61.3	0	0	0	0	111.5	C367 M368 M374 L409	C367-C370 VanDerWaalsContact O-CB 3.25Å; C367-C370 WeakPolarHBondContact O-CB 3.32Å; C367-C370 PolarHBondContact O-N 2.87Å; M368-C370 PolarHBondContact O-N 2.99Å; C370-M374 WeakPolarHBondContact O-CB 3.46Å; C370-M374 PolarHBondContact O-N 2.99Å; C370-L409 HydrophobicContact CB-CD2 4.24Å; C370-L409 WeakPolarHBondContact O-CD2 3.22Å
371	A	90.4	Very high	87.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-55.4	173.5	0	0	0	0	0	110.3	M368 S373 M374 L375 P389 L406 L409 M416	M368-A371 HydrophobicContact CE-CB 4.41Å; M368-A371 WeakPolarHBondContact O-CA 3.41Å; M368-A371 WeakPolarHBondContact O-CB 3.41Å; M368-A371 PolarHBondContact O-N 3.11Å; A371-S373 VanDerWaalsContact C-N 3.31Å; A371-S373 PolarHBondContact O-N 3.4Å; A371-M374 WeakPolarHBondContact O-CB 3.49Å; A371-M374 PolarHBondContact O-N 3.03Å; A371-M374 VanDerWaalsContact O-N 3.08Å; A371-L375 WeakPolarHBondContact O-CG 3.43Å; A371-L375 PolarHBondContact O-N 2.85Å; A371-P389 HydrophobicContact CB-CB 4.2Å; A371-P389 HydrophobicContact CB-CG 4.26Å; A371-L406 HydrophobicContact CB-CD2 3.7Å; A371-L409 HydrophobicContact CB-CD2 4.22Å; A371-M416 HydrophobicContact CB-CE 4.42Å; A371-M416 HydrophobicContact CB-SD 3.78Å
372	E	88.1	Confident	86.7	Confident	50 Å²	50	60.5 Å²	60.5	23%	0.234	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-41.2	179.5	-80.9	-176.9	-141.3	0	0	113	Y363 M368 M374 L375 Y376 F386 P389	Y363-E372 WeakPolarHBondContact CE2-OE1 3.28Å; Y363-E372 WeakPolarHBondContact OH-CG 3.41Å; Y363-E372 PolarHBondContact OH-OE1 2.89Å; Y363-E372 PolarHBondContact OH-OE2 3.35Å; M368-E372 PolarHBondContact O-N 3.36Å; M368-E372 VanDerWaalsContact O-N 3.09Å; E372-M374 VanDerWaalsContact C-N 3.32Å; E372-M374 PolarHBondContact O-N 2.99Å; E372-L375 PolarHBondContact O-N 3.22Å; E372-Y376 VanDerWaalsContact O-CB 3.28Å; E372-Y376 WeakPolarHBondContact O-CB 3.46Å; E372-Y376 PolarHBondContact O-N 2.85Å; E372-F386 HydrophobicContact CB-CZ 4.48Å; E372-F386 HydrophobicContact CG-CE2 4.26Å; E372-F386 HydrophobicContact CG-CZ 4.44Å; E372-P389 HydrophobicContact CG-CG 3.8Å
373	S	88.2	Confident	85.6	Confident	56 Å²	56	68.3 Å²	68.3	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-39.7	176.5	-57.2	0	0	0	0	112.1	L369 A371 H377	L369-S373 VanDerWaalsContact O-CB 3.27Å; L369-S373 WeakPolarHBondContact O-CB 3.19Å; L369-S373 PolarHBondContact O-N 3.14Å; L369-S373 PolarHBondContact O-OG 3.37Å; A371-S373 VanDerWaalsContact C-N 3.31Å; A371-S373 PolarHBondContact O-N 3.4Å; S373-H377 WeakPolarHBondContact O-CB 3.47Å; S373-H377 PolarHBondContact O-CD2 2.87Å; S373-H377 PolarHBondContact O-N 3.2Å; S373-H377 VanDerWaalsContact O-N 3.09Å
374	M	91.4	Very high	84.6	Confident	36 Å²	36	67.1 Å²	67.1	18%	0.177	37%	0.368	C	S	.	.	H	α-helix	trans	-68.6	-45.3	175.6	-179.8	-161.2	72.9	0	0	111.6	C370 A371 E372 Y376 H377 C378 M379 A405 L406 L409	C370-M374 WeakPolarHBondContact O-CB 3.46Å; C370-M374 PolarHBondContact O-N 2.99Å; A371-M374 WeakPolarHBondContact O-CB 3.49Å; A371-M374 PolarHBondContact O-N 3.03Å; A371-M374 VanDerWaalsContact O-N 3.08Å; E372-M374 VanDerWaalsContact C-N 3.32Å; E372-M374 PolarHBondContact O-N 2.99Å; M374-Y376 VanDerWaalsContact C-N 3.34Å; M374-Y376 PolarHBondContact O-N 3.09Å; M374-H377 PolarHBondContact O-N 3.01Å; M374-C378 VanDerWaalsContact O-CB 3.24Å; M374-C378 WeakPolarHBondContact O-CB 3.29Å; M374-C378 PolarHBondContact O-N 3.01Å; M374-C378 PolarHBondContact O-SG 3.45Å; M374-M379 HydrophobicContact CE-CE 4.31Å; M374-A405 HydrophobicContact CE-CB 3.6Å; M374-A405 HydrophobicContact SD-CB 3.92Å; M374-L406 HydrophobicContact CE-CD2 3.9Å; M374-L406 HydrophobicContact CE-CG 4.17Å; M374-L409 HydrophobicContact CB-CD2 4.19Å; M374-L409 HydrophobicContact CE-CD2 4.22Å; M374-L409 HydrophobicContact SD-CB 3.91Å; M374-L409 HydrophobicContact SD-CD2 3.83Å; M374-L409 HydrophobicContact SD-CG 4.36Å
375	L	88.9	Confident	83.9	Confident	2 Å²	2	64 Å²	64	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-44.7	178.1	-62.2	-175.7	0	0	0	111	A371 E372 H377 M379 S380 F386 S387 P389 R402 L406	A371-L375 WeakPolarHBondContact O-CG 3.43Å; A371-L375 PolarHBondContact O-N 2.85Å; E372-L375 PolarHBondContact O-N 3.22Å; L375-H377 PolarHBondContact O-N 2.62Å; L375-M379 HydrophobicContact CD2-CE 3.33Å; L375-M379 HydrophobicContact CD2-SD 4.43Å; L375-M379 CarbonylContact O-C 3.58Å; L375-M379 VanDerWaalsContact O-CA 3.32Å; L375-M379 WeakPolarHBondContact O-CA 3.32Å; L375-M379 WeakPolarHBondContact O-CB 3.32Å; L375-M379 PolarHBondContact O-N 3.39Å; L375-S380 PolarHBondContact O-N 3.36Å; L375-S380 VanDerWaalsContact O-N 3.15Å; L375-F386 HydrophobicContact CB-CD2 3.53Å; L375-F386 HydrophobicContact CB-CE2 3.87Å; L375-F386 HydrophobicContact CB-CG 4.25Å; L375-F386 HydrophobicContact CD1-CD2 4.03Å; L375-F386 HydrophobicContact CD1-CE2 4.23Å; L375-F386 HydrophobicContact CG-CD2 4.45Å; L375-S387 WeakPolarHBondContact CD1-O 3.35Å; L375-P389 HydrophobicContact CD1-CB 3.91Å; L375-P389 HydrophobicContact CD1-CG 3.51Å; L375-R402 HydrophobicContact CD2-CG 3.85Å; L375-L406 HydrophobicContact CD2-CD2 4.39Å; L375-L406 HydrophobicContact CD2-CG 4.48Å
376	Y	85	Confident	83.4	Confident	84 Å²	84	61 Å²	61	33%	0.329	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-47.4	176.2	-176.8	-108.2	0	0	0	112	E372 M374 S380 F386	E372-Y376 VanDerWaalsContact O-CB 3.28Å; E372-Y376 WeakPolarHBondContact O-CB 3.46Å; E372-Y376 PolarHBondContact O-N 2.85Å; M374-Y376 VanDerWaalsContact C-N 3.34Å; M374-Y376 PolarHBondContact O-N 3.09Å; Y376-S380 WeakPolarHBondContact O-CB 3.47Å; Y376-S380 PolarHBondContact O-OG 3.47Å; Y376-F386 HydrophobicContact CD2-CD1 4.01Å; Y376-F386 AromaticContact CD2-CE1 3.77Å; Y376-F386 HydrophobicContact CD2-CE1 3.77Å; Y376-F386 HydrophobicContact CG-CE1 4.33Å
377	H	85.5	Confident	82.9	Confident	151 Å²	151	63.1 Å²	63.1	70%	0.699	35%	0.353	S	S	*	.	H	α-helix	trans	-78.4	-23.6	-177.6	-75.4	-53.2	0	0	0	115.4	S373 M374 L375	S373-H377 WeakPolarHBondContact O-CB 3.47Å; S373-H377 PolarHBondContact O-CD2 2.87Å; S373-H377 PolarHBondContact O-N 3.2Å; S373-H377 VanDerWaalsContact O-N 3.09Å; M374-H377 PolarHBondContact O-N 3.01Å; L375-H377 PolarHBondContact O-N 2.62Å
378	C	84.8	Confident	82.6	Confident	96 Å²	96	65.5 Å²	65.5	65%	0.649	36%	0.363	S	S	*	.	H	α-helix	trans	-110.3	-19.2	-173.8	-60.8	0	0	0	0	114.4	M374	M374-C378 VanDerWaalsContact O-CB 3.24Å; M374-C378 WeakPolarHBondContact O-CB 3.29Å; M374-C378 PolarHBondContact O-N 3.01Å; M374-C378 PolarHBondContact O-SG 3.45Å
379	M	83.4	Confident	82.4	Confident	40 Å²	40	65.2 Å²	65.2	20%	0.197	36%	0.363	C	S	.	.	H	α-helix	trans	-142.8	8.8	-170.1	-75	174.7	-81.9	0	0	114.1	M374 L375 R402 A405	M374-M379 HydrophobicContact CE-CE 4.31Å; L375-M379 HydrophobicContact CD2-CE 3.33Å; L375-M379 HydrophobicContact CD2-SD 4.43Å; L375-M379 CarbonylContact O-C 3.58Å; L375-M379 VanDerWaalsContact O-CA 3.32Å; L375-M379 WeakPolarHBondContact O-CA 3.32Å; L375-M379 WeakPolarHBondContact O-CB 3.32Å; L375-M379 PolarHBondContact O-N 3.39Å; M379-R402 HydrophobicContact CE-CB 4.4Å; M379-R402 VanDerWaalsContact SD-CA 3.57Å; M379-R402 HydrophobicContact SD-CB 3.78Å; M379-R402 HydrophobicContact SD-CG 4.42Å; M379-A405 HydrophobicContact CE-CB 3.87Å
380	S	82.4	Confident	82.1	Confident	44 Å²	44	62.6 Å²	62.6	31%	0.308	35%	0.351	S	S	.	.			trans	-69.8	143.6	168.5	78.3	0	0	0	0	111.3	L375 Y376 D385	L375-S380 PolarHBondContact O-N 3.36Å; L375-S380 VanDerWaalsContact O-N 3.15Å; Y376-S380 WeakPolarHBondContact O-CB 3.47Å; Y376-S380 PolarHBondContact O-OG 3.47Å; S380-D385 VanDerWaalsContact CA-O 3.31Å; S380-D385 WeakPolarHBondContact CA-O 3.34Å
381	D	77.5	Confident	81.9	Confident	82 Å²	82	61 Å²	61	44%	0.439	34%	0.341	S	S	.	.			trans	-72.7	-173.3	169.4	75.1	1.6	0	0	0	112.4	E383 G384 D385	D381-E383 PolarHBondContact O-N 3.35Å; D381-E383 WeakPolarHBondContact OD1-CA 3.39Å; D381-E383 PolarHBondContact OD1-N 2.83Å; D381-G384 PolarHBondContact O-N 2.81Å; D381-G384 PolarHBondContact OD1-N 2.93Å; D381-D385 PolarHBondContact N-O 2.63Å; D381-D385 PolarHBondContact OD1-N 3.03Å
382	S	68.4	Low	81.4	Confident	128 Å²	128	65.6 Å²	65.6	90%	0.895	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.1	177.3	52.5	0	0	0	0	114.7
383	E	68.9	Low	81.1	Confident	181 Å²	181	67.5 Å²	67.5	85%	0.846	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.6	173.9	-55.9	-155.9	131	0	0	111.8	D381	D381-E383 PolarHBondContact O-N 3.35Å; D381-E383 WeakPolarHBondContact OD1-CA 3.39Å; D381-E383 PolarHBondContact OD1-N 2.83Å
384	G	68.7	Low	80.6	Confident	12 Å²	12	70.4 Å²	70.4	12%	0.124	40%	0.399	C	S	.	.	S	Bend	trans	91.6	11.3	178.9	0	0	0	0	0	113.9	D381	D381-G384 PolarHBondContact O-N 2.81Å; D381-G384 PolarHBondContact OD1-N 2.93Å
385	D	72.8	Confident	79.8	Confident	93 Å²	93	73 Å²	73	50%	0.497	42%	0.421	S	S	.	.			trans	-89.3	151.5	177.3	-155.7	22.3	0	0	0	111.9	R249 S380 D381	R249-D385 IonicContact NH2-OD1 2.69Å; R249-D385 PolarHBondContact NH2-OD1 2.95Å; S380-D385 VanDerWaalsContact CA-O 3.31Å; S380-D385 WeakPolarHBondContact CA-O 3.34Å; D381-D385 PolarHBondContact N-O 2.63Å; D381-D385 PolarHBondContact OD1-N 3.03Å
386	F	80.3	Confident	79.3	Confident	26 Å²	26	74.2 Å²	74.2	11%	0.114	43%	0.427	C	S	.	.			trans	-157.1	149	-176.8	61.5	-87.4	0	0	0	111	E372 L375 Y376	E372-F386 HydrophobicContact CB-CZ 4.48Å; E372-F386 HydrophobicContact CG-CE2 4.26Å; E372-F386 HydrophobicContact CG-CZ 4.44Å; L375-F386 HydrophobicContact CB-CD2 3.53Å; L375-F386 HydrophobicContact CB-CE2 3.87Å; L375-F386 HydrophobicContact CB-CG 4.25Å; L375-F386 HydrophobicContact CD1-CD2 4.03Å; L375-F386 HydrophobicContact CD1-CE2 4.23Å; L375-F386 HydrophobicContact CG-CD2 4.45Å; Y376-F386 HydrophobicContact CD2-CD1 4.01Å; Y376-F386 AromaticContact CD2-CE1 3.77Å; Y376-F386 HydrophobicContact CD2-CE1 3.77Å; Y376-F386 HydrophobicContact CG-CE1 4.33Å
387	S	80.6	Confident	79	Confident	45 Å²	45	78.7 Å²	78.7	32%	0.315	45%	0.451	S	S	.	.			trans	-58	138.5	176.4	-66.4	0	0	0	0	112.9	L375 D396	L375-S387 WeakPolarHBondContact CD1-O 3.35Å; S387-D396 WeakPolarHBondContact CB-OD2 3.24Å; S387-D396 PolarHBondContact OG-OD2 2.96Å
388	D	83.8	Confident	78.8	Confident	85 Å²	85	76.2 Å²	76.2	46%	0.455	44%	0.44	S	S	.	.			trans	-48.7	131.9	171.1	174.3	-8.9	0	0	0	110.1	C390 S391 R402	D388-C390 PolarHBondContact O-N 2.94Å; D388-C390 PolarHBondContact OD1-N 3.39Å; D388-S391 PolarHBondContact O-N 2.81Å; D388-S391 PolarHBondContact O-OG 3.32Å; D388-R402 PolarHBondContact O-NH1 2.94Å
389	P	83.4	Confident	78.8	Confident	6 Å²	6	74 Å²	74	4%	0.039	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-33.6	172.3	-25.8	26.5	0	0	0	115	M368 A371 E372 L375 R402 L406	M368-P389 HydrophobicContact CE-CB 3.71Å; M368-P389 HydrophobicContact CE-CG 4.14Å; A371-P389 HydrophobicContact CB-CB 4.2Å; A371-P389 HydrophobicContact CB-CG 4.26Å; E372-P389 HydrophobicContact CG-CG 3.8Å; L375-P389 HydrophobicContact CD1-CB 3.91Å; L375-P389 HydrophobicContact CD1-CG 3.51Å; P389-R402 PolarHBondContact O-NH1 3.43Å; P389-L406 HydrophobicContact CB-CD2 4.42Å; P389-L406 WeakPolarHBondContact O-CD1 3.25Å
390	C	82.4	Confident	79	Confident	36 Å²	36	76.5 Å²	76.5	24%	0.243	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	14	-178.5	-63.8	0	0	0	0	114.6	D388 Y419	D388-C390 PolarHBondContact O-N 2.94Å; D388-C390 PolarHBondContact OD1-N 3.39Å; C390-Y419 VanDerWaalsContact SG-CE1 3.54Å
391	S	83.9	Confident	79.3	Confident	26 Å²	26	79.8 Å²	79.8	18%	0.182	45%	0.453	C	S	.	.			trans	-69.4	134.7	174.8	76.2	0	0	0	0	111.3	D388 R402 W403	D388-S391 PolarHBondContact O-N 2.81Å; D388-S391 PolarHBondContact O-OG 3.32Å; S391-R402 VanDerWaalsContact O-CZ 3.3Å; S391-R402 PolarHBondContact O-NH1 2.95Å; S391-R402 PolarHBondContact O-NH2 3.48Å; S391-R402 PolarHBondContact OG-NH1 2.99Å; S391-R402 PolarHBondContact OG-NH2 3.16Å; S391-W403 WeakPolarHBondContact O-CZ2 3.44Å
392	C	81.3	Confident	79.9	Confident	98 Å²	98	76.1 Å²	76.1	66%	0.662	43%	0.433	S	S	*	.			trans	-104.2	18.3	175.8	-64.1	0	0	0	0	112.5	T394	C392-T394 PolarHBondContact O-N 3.49Å
393	D	81.6	Confident	81	Confident	90 Å²	90	74.1 Å²	74.1	48%	0.481	41%	0.406	S	S	.	.			trans	-73.4	109.6	-177.9	-168	-18.8	0	0	0	110.9	S395 D396 F399	D393-S395 VanDerWaalsContact CG-OG 3.28Å; D393-S395 PolarHBondContact O-N 3.45Å; D393-S395 WeakPolarHBondContact OD1-CB 3.15Å; D393-S395 PolarHBondContact OD1-N 3.43Å; D393-S395 PolarHBondContact OD1-OG 3.13Å; D393-S395 PolarHBondContact OD2-OG 3.12Å; D393-D396 WeakPolarHBondContact O-CB 3.43Å; D393-F399 WeakPolarHBondContact O-CD2 3.44Å
394	T	77.8	Confident	82.2	Confident	117 Å²	117	70.9 Å²	70.9	72%	0.718	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.8	-179.4	56.8	0	0	0	0	113.8	C392 F399	C392-T394 PolarHBondContact O-N 3.49Å; T394-F399 HydrophobicContact CG2-CE1 4.32Å; T394-F399 HydrophobicContact CG2-CE2 4.07Å; T394-F399 HydrophobicContact CG2-CZ 3.88Å
395	S	74.1	Confident	83.2	Confident	90 Å²	90	71.6 Å²	71.6	63%	0.629	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7	174.1	69.9	0	0	0	0	113.7	D393 E397	D393-S395 VanDerWaalsContact CG-OG 3.28Å; D393-S395 PolarHBondContact O-N 3.45Å; D393-S395 WeakPolarHBondContact OD1-CB 3.15Å; D393-S395 PolarHBondContact OD1-N 3.43Å; D393-S395 PolarHBondContact OD1-OG 3.13Å; D393-S395 PolarHBondContact OD2-OG 3.12Å; S395-E397 PolarHBondContact O-N 3.46Å
396	D	78.6	Confident	84.1	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.15	38%	0.379	C	S	.	.			trans	-69.9	116.5	174.4	176.3	-7.1	0	0	0	110.3	S387 D393 Q398 F399 R402	S387-D396 WeakPolarHBondContact CB-OD2 3.24Å; S387-D396 PolarHBondContact OG-OD2 2.96Å; D393-D396 WeakPolarHBondContact O-CB 3.43Å; D396-Q398 PolarHBondContact O-N 3.2Å; D396-Q398 VanDerWaalsContact O-N 3.17Å; D396-Q398 WeakPolarHBondContact OD1-CA 3.3Å; D396-Q398 WeakPolarHBondContact OD1-CB 3.32Å; D396-Q398 PolarHBondContact OD1-N 3.09Å; D396-F399 HydrophobicContact CB-CB 4.09Å; D396-F399 WeakPolarHBondContact O-CB 3.44Å; D396-F399 PolarHBondContact O-N 2.58Å; D396-F399 PolarHBondContact OD1-N 3.39Å; D396-R402 IonicContact OD2-NE 3.19Å; D396-R402 PolarHBondContact OD2-NE 2.84Å; D396-R402 IonicContact OD2-NH2 3.78Å
397	E	78	Confident	84.7	Confident	179 Å²	179	71.1 Å²	71.1	84%	0.836	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.1	178.7	-63.6	-71.5	155.6	0	0	112.3	S395	S395-E397 PolarHBondContact O-N 3.46Å
398	Q	81.1	Confident	85.4	Confident	99 Å²	99	71.5 Å²	71.5	46%	0.463	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	2.8	175.8	-69.9	81.5	4.7	0	0	113.1	D396 C400 L401 R402	D396-Q398 PolarHBondContact O-N 3.2Å; D396-Q398 VanDerWaalsContact O-N 3.17Å; D396-Q398 WeakPolarHBondContact OD1-CA 3.3Å; D396-Q398 WeakPolarHBondContact OD1-CB 3.32Å; D396-Q398 PolarHBondContact OD1-N 3.09Å; Q398-C400 PolarHBondContact O-N 3.09Å; Q398-L401 PolarHBondContact O-N 3.41Å; Q398-R402 WeakPolarHBondContact O-CB 3.47Å; Q398-R402 PolarHBondContact O-N 2.8Å
399	F	86.4	Confident	85.8	Confident	50 Å²	50	68.6 Å²	68.6	22%	0.219	39%	0.387	C	S	.	.	H	α-helix	trans	-46	-53.8	-176.8	179.1	-96.1	0	0	0	113.3	D393 T394 D396 L401 R402 W403	D393-F399 WeakPolarHBondContact O-CD2 3.44Å; T394-F399 HydrophobicContact CG2-CE1 4.32Å; T394-F399 HydrophobicContact CG2-CE2 4.07Å; T394-F399 HydrophobicContact CG2-CZ 3.88Å; D396-F399 HydrophobicContact CB-CB 4.09Å; D396-F399 WeakPolarHBondContact O-CB 3.44Å; D396-F399 PolarHBondContact O-N 2.58Å; D396-F399 PolarHBondContact OD1-N 3.39Å; F399-L401 PolarHBondContact O-N 3.22Å; F399-R402 PolarHBondContact O-N 3.36Å; F399-W403 AromaticContact CD1-CD1 3.96Å; F399-W403 AromaticContact CD2-CD1 3.7Å; F399-W403 AromaticContact CD2-NE1 3.6Å; F399-W403 AromaticContact CE1-CD1 3.75Å; F399-W403 AromaticContact CE2-CD1 3.52Å; F399-W403 AromaticContact CE2-NE1 3.12Å; F399-W403 AromaticContact CG-CD1 3.93Å; F399-W403 AromaticContact CZ-CD1 3.53Å; F399-W403 AromaticContact CZ-NE1 3.41Å; F399-W403 VanDerWaalsContact O-CD1 3.24Å; F399-W403 PolarHBondContact O-N 2.92Å
400	C	86.7	Confident	86.2	Confident	91 Å²	91	69.4 Å²	69.4	62%	0.615	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-41.7	-178.6	-67.6	0	0	0	0	112.2	Q398 L404	Q398-C400 PolarHBondContact O-N 3.09Å; C400-L404 WeakPolarHBondContact O-CB 3.27Å; C400-L404 VanDerWaalsContact O-CG 3.22Å; C400-L404 WeakPolarHBondContact O-CG 3.02Å; C400-L404 PolarHBondContact O-N 3.45Å
401	L	88.8	Confident	86.7	Confident	114 Å²	114	76 Å²	76	60%	0.597	42%	0.418	S	S	*	.	H	α-helix	trans	-66.9	-41.1	177.9	-70.5	171.5	0	0	0	111.3	Q398 F399 L404 A405	Q398-L401 PolarHBondContact O-N 3.41Å; F399-L401 PolarHBondContact O-N 3.22Å; L401-L404 PolarHBondContact O-N 3.38Å; L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.07Å; L401-A405 PolarHBondContact O-N 2.83Å
402	R	90.5	Very high	87.1	Confident	4 Å²	4	81.5 Å²	81.5	2%	0.015	44%	0.443	C	S	.	.	H	α-helix	trans	-60.7	-51	176.6	-179.2	170.1	59.4	78.7	4.5	111.6	L375 M379 D388 P389 S391 D396 Q398 F399 A405 L406	L375-R402 HydrophobicContact CD2-CG 3.85Å; M379-R402 HydrophobicContact CE-CB 4.4Å; M379-R402 VanDerWaalsContact SD-CA 3.57Å; M379-R402 HydrophobicContact SD-CB 3.78Å; M379-R402 HydrophobicContact SD-CG 4.42Å; D388-R402 PolarHBondContact O-NH1 2.94Å; P389-R402 PolarHBondContact O-NH1 3.43Å; S391-R402 VanDerWaalsContact O-CZ 3.3Å; S391-R402 PolarHBondContact O-NH1 2.95Å; S391-R402 PolarHBondContact O-NH2 3.48Å; S391-R402 PolarHBondContact OG-NH1 2.99Å; S391-R402 PolarHBondContact OG-NH2 3.16Å; D396-R402 IonicContact OD2-NE 3.19Å; D396-R402 PolarHBondContact OD2-NE 2.84Å; D396-R402 IonicContact OD2-NH2 3.78Å; Q398-R402 WeakPolarHBondContact O-CB 3.47Å; Q398-R402 PolarHBondContact O-N 2.8Å; F399-R402 PolarHBondContact O-N 3.36Å; R402-A405 PolarHBondContact O-N 2.96Å; R402-L406 HydrophobicContact CG-CD1 3.88Å; R402-L406 WeakPolarHBondContact O-CB 3.44Å; R402-L406 VanDerWaalsContact O-CG 3.25Å; R402-L406 WeakPolarHBondContact O-CG 3.42Å; R402-L406 PolarHBondContact O-N 3.44Å
403	W	91.4	Very high	87.6	Confident	87 Å²	87	77.5 Å²	77.5	33%	0.33	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-38	178.3	-77.3	107.4	0	0	0	112.8	S391 F399 L406 L407	S391-W403 WeakPolarHBondContact O-CZ2 3.44Å; F399-W403 AromaticContact CD1-CD1 3.96Å; F399-W403 AromaticContact CD2-CD1 3.7Å; F399-W403 AromaticContact CD2-NE1 3.6Å; F399-W403 AromaticContact CE1-CD1 3.75Å; F399-W403 AromaticContact CE2-CD1 3.52Å; F399-W403 AromaticContact CE2-NE1 3.12Å; F399-W403 AromaticContact CG-CD1 3.93Å; F399-W403 AromaticContact CZ-CD1 3.53Å; F399-W403 AromaticContact CZ-NE1 3.41Å; F399-W403 VanDerWaalsContact O-CD1 3.24Å; F399-W403 PolarHBondContact O-N 2.92Å; W403-L406 PolarHBondContact O-N 3.3Å; W403-L407 WeakPolarHBondContact O-CB 3.4Å; W403-L407 VanDerWaalsContact O-CG 3.24Å; W403-L407 WeakPolarHBondContact O-CG 3.22Å; W403-L407 PolarHBondContact O-N 3.4Å
404	L	93	Very high	88	Confident	113 Å²	113	77.3 Å²	77.3	59%	0.592	42%	0.421	S	S	*	.	H	α-helix	trans	-64.2	-40.8	173.1	-73.2	173.5	0	0	0	112.4	C400 L401 L407 A408	C400-L404 WeakPolarHBondContact O-CB 3.27Å; C400-L404 VanDerWaalsContact O-CG 3.22Å; C400-L404 WeakPolarHBondContact O-CG 3.02Å; C400-L404 PolarHBondContact O-N 3.45Å; L401-L404 PolarHBondContact O-N 3.38Å; L404-L407 PolarHBondContact O-N 2.69Å; L404-A408 WeakPolarHBondContact O-CB 3.17Å; L404-A408 PolarHBondContact O-N 3.2Å
405	A	91.8	Very high	88.7	Confident	26 Å²	26	73.3 Å²	73.3	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-66.7	-41.7	176.5	0	0	0	0	0	112	M374 M379 L401 R402 A408 L409	M374-A405 HydrophobicContact CE-CB 3.6Å; M374-A405 HydrophobicContact SD-CB 3.92Å; M379-A405 HydrophobicContact CE-CB 3.87Å; L401-A405 VanDerWaalsContact O-CB 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.07Å; L401-A405 PolarHBondContact O-N 2.83Å; R402-A405 PolarHBondContact O-N 2.96Å; A405-A408 PolarHBondContact O-N 2.92Å; A405-L409 WeakPolarHBondContact O-CB 3.49Å; A405-L409 PolarHBondContact O-N 2.9Å
406	L	91.4	Very high	89.5	Confident	16 Å²	16	69.9 Å²	69.9	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-38.3	175.4	-69.9	167.9	0	0	0	112.1	A371 M374 L375 P389 R402 W403 L409 S410	A371-L406 HydrophobicContact CB-CD2 3.7Å; M374-L406 HydrophobicContact CE-CD2 3.9Å; M374-L406 HydrophobicContact CE-CG 4.17Å; L375-L406 HydrophobicContact CD2-CD2 4.39Å; L375-L406 HydrophobicContact CD2-CG 4.48Å; P389-L406 HydrophobicContact CB-CD2 4.42Å; P389-L406 WeakPolarHBondContact O-CD1 3.25Å; R402-L406 HydrophobicContact CG-CD1 3.88Å; R402-L406 WeakPolarHBondContact O-CB 3.44Å; R402-L406 VanDerWaalsContact O-CG 3.25Å; R402-L406 WeakPolarHBondContact O-CG 3.42Å; R402-L406 PolarHBondContact O-N 3.44Å; W403-L406 PolarHBondContact O-N 3.3Å; L406-L409 PolarHBondContact O-N 3.25Å; L406-S410 WeakPolarHBondContact O-CB 3.33Å; L406-S410 PolarHBondContact O-N 2.85Å
407	L	93	Very high	90	Very high	93 Å²	93	72.3 Å²	72.3	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-49	171.6	-76	167.4	0	0	0	111	W403 L404 L409 S410 F411	W403-L407 WeakPolarHBondContact O-CB 3.4Å; W403-L407 VanDerWaalsContact O-CG 3.24Å; W403-L407 WeakPolarHBondContact O-CG 3.22Å; W403-L407 PolarHBondContact O-N 3.4Å; L404-L407 PolarHBondContact O-N 2.69Å; L407-L409 VanDerWaalsContact C-N 3.32Å; L407-L409 PolarHBondContact O-N 3.05Å; L407-S410 PolarHBondContact O-N 3.43Å; L407-S410 VanDerWaalsContact O-N 3.12Å; L407-S410 PolarHBondContact O-OG 3.08Å; L407-F411 WeakPolarHBondContact O-CD2 3.28Å; L407-F411 PolarHBondContact O-N 3.09Å
408	A	93.5	Very high	90.7	Very high	54 Å²	54	66.7 Å²	66.7	45%	0.446	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-44.9	175.3	0	0	0	0	0	111.9	L404 A405 S410 F411	L404-A408 WeakPolarHBondContact O-CB 3.17Å; L404-A408 PolarHBondContact O-N 3.2Å; A405-A408 PolarHBondContact O-N 2.92Å; A408-S410 VanDerWaalsContact C-N 3.32Å; A408-S410 PolarHBondContact O-N 2.04Å; A408-F411 PolarHBondContact O-N 3.03Å
409	L	92.4	Very high	91.2	Very high	24 Å²	24	63.1 Å²	63.1	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-33.1	177.1	-174.7	61.8	0	0	0	112.2	C370 A371 M374 A405 L406 L407 F411 I412 A413 M416	C370-L409 HydrophobicContact CB-CD2 4.24Å; C370-L409 WeakPolarHBondContact O-CD2 3.22Å; A371-L409 HydrophobicContact CB-CD2 4.22Å; M374-L409 HydrophobicContact CB-CD2 4.19Å; M374-L409 HydrophobicContact CE-CD2 4.22Å; M374-L409 HydrophobicContact SD-CB 3.91Å; M374-L409 HydrophobicContact SD-CD2 3.83Å; M374-L409 HydrophobicContact SD-CG 4.36Å; A405-L409 WeakPolarHBondContact O-CB 3.49Å; A405-L409 PolarHBondContact O-N 2.9Å; L406-L409 PolarHBondContact O-N 3.25Å; L407-L409 VanDerWaalsContact C-N 3.32Å; L407-L409 PolarHBondContact O-N 3.05Å; L409-F411 VanDerWaalsContact C-N 3.28Å; L409-F411 PolarHBondContact O-N 2.94Å; L409-I412 PolarHBondContact O-N 3.34Å; L409-A413 PolarHBondContact O-N 3.3Å; L409-M416 HydrophobicContact CB-CE 3.86Å; L409-M416 HydrophobicContact CD2-CE 3.68Å; L409-M416 HydrophobicContact CD2-SD 3.8Å; L409-M416 HydrophobicContact CG-CE 3.61Å; L409-M416 HydrophobicContact CG-SD 4.08Å
410	S	92.9	Very high	91.4	Very high	22 Å²	22	66.3 Å²	66.3	15%	0.154	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-28.2	176.4	76.8	0	0	0	0	113.4	L406 L407 A408 A413 P414	L406-S410 WeakPolarHBondContact O-CB 3.33Å; L406-S410 PolarHBondContact O-N 2.85Å; L407-S410 PolarHBondContact O-N 3.43Å; L407-S410 VanDerWaalsContact O-N 3.12Å; L407-S410 PolarHBondContact O-OG 3.08Å; A408-S410 VanDerWaalsContact C-N 3.32Å; A408-S410 PolarHBondContact O-N 2.04Å; S410-A413 CarbonylContact O-C 3.39Å; S410-P414 VanDerWaalsContact O-CA 3.28Å; S410-P414 WeakPolarHBondContact O-CA 3.46Å
411	F	93	Very high	91.7	Very high	176 Å²	176	66 Å²	66	77%	0.772	37%	0.367	S	S	*	.	H	α-helix	trans	-71.9	-30.3	170.8	-67.8	-71.2	0	0	0	112.9	L407 A408 L409	L407-F411 WeakPolarHBondContact O-CD2 3.28Å; L407-F411 PolarHBondContact O-N 3.09Å; A408-F411 PolarHBondContact O-N 3.03Å; L409-F411 VanDerWaalsContact C-N 3.28Å; L409-F411 PolarHBondContact O-N 2.94Å
412	I	92.5	Very high	91.9	Very high	141 Å²	141	63.2 Å²	63.2	72%	0.723	35%	0.353	S	S	*	.	H	α-helix	trans	-81.9	-38.7	178.2	-60.3	169.9	0	0	0	110.8	L409 P414	L409-I412 PolarHBondContact O-N 3.34Å; I412-P414 WeakPolarHBondContact O-CD 3.33Å
413	A	91.2	Very high	91.9	Very high	13 Å²	13	68.1 Å²	68.1	11%	0.107	37%	0.372	C	S	.	.			trans	-125	75.4	-177.2	0	0	0	0	0	110.4	L409 S410 C415 M416	L409-A413 PolarHBondContact O-N 3.3Å; S410-A413 CarbonylContact O-C 3.39Å; A413-C415 PolarHBondContact O-N 3.35Å; A413-M416 HydrophobicContact CB-CG 4.2Å; A413-M416 WeakPolarHBondContact O-CG 3.31Å; A413-M416 PolarHBondContact O-N 2.87Å
414	P	90.8	Very high	92	Very high	86 Å²	86	66.7 Å²	66.7	56%	0.558	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.5	-175.9	24.5	-34.9	0	0	0	114.1	S410 I412 M416 C417	S410-P414 VanDerWaalsContact O-CA 3.28Å; S410-P414 WeakPolarHBondContact O-CA 3.46Å; I412-P414 WeakPolarHBondContact O-CD 3.33Å; P414-M416 PolarHBondContact O-N 3.49Å; P414-C417 WeakPolarHBondContact O-CB 3.4Å; P414-C417 PolarHBondContact O-N 3.49Å
415	C	91.8	Very high	92	Very high	34 Å²	34	65.7 Å²	65.7	23%	0.23	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-54.4	-29.6	167.3	37.5	0	0	0	0	113.4	V365 S366 C367 A413 C417 C418	V365-C415 WeakPolarHBondContact O-CB 3.34Å; S366-C415 VanDerWaalsContact CA-O 3.32Å; S366-C415 WeakPolarHBondContact CA-O 3.17Å; S366-C415 WeakPolarHBondContact CB-O 3.36Å; S366-C415 CarbonylContact O-C 3.35Å; C367-C415 HydrophobicContact CB-CB 4.06Å; C367-C415 WeakPolarHBondContact CB-SG 3.49Å; C367-C415 WeakPolarHBondContact SG-CB 3.2Å; C367-C415 CovalentContact SG-SG 2.04Å; C367-C415 PolarHBondContact SG-SG 3.03Å; A413-C415 PolarHBondContact O-N 3.35Å; C415-C417 VanDerWaalsContact C-N 3.25Å; C415-C417 PolarHBondContact O-N 2.83Å; C415-C418 VanDerWaalsContact O-CB 3.3Å; C415-C418 WeakPolarHBondContact O-CB 3.16Å; C415-C418 PolarHBondContact O-N 3.15Å
416	M	91	Very high	92	Very high	18 Å²	18	65.1 Å²	65.1	9%	0.089	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-63.8	-30.9	178.4	-59.7	-150.3	-45	0	0	112.7	S366 C367 A371 L409 A413 P414 C418 Y419	S366-M416 WeakPolarHBondContact O-CA 3.4Å; S366-M416 WeakPolarHBondContact O-CG 3.32Å; S366-M416 PolarHBondContact O-N 3.38Å; C367-M416 HydrophobicContact CB-CG 4.32Å; A371-M416 HydrophobicContact CB-CE 4.42Å; A371-M416 HydrophobicContact CB-SD 3.78Å; L409-M416 HydrophobicContact CB-CE 3.86Å; L409-M416 HydrophobicContact CD2-CE 3.68Å; L409-M416 HydrophobicContact CD2-SD 3.8Å; L409-M416 HydrophobicContact CG-CE 3.61Å; L409-M416 HydrophobicContact CG-SD 4.08Å; A413-M416 HydrophobicContact CB-CG 4.2Å; A413-M416 WeakPolarHBondContact O-CG 3.31Å; A413-M416 PolarHBondContact O-N 2.87Å; P414-M416 PolarHBondContact O-N 3.49Å; M416-C418 PolarHBondContact O-N 3.02Å; M416-Y419 VanDerWaalsContact O-CB 3.24Å; M416-Y419 WeakPolarHBondContact O-CB 3.48Å; M416-Y419 PolarHBondContact O-N 3.18Å
417	C	89.5	Confident	92	Very high	78 Å²	78	70.3 Å²	70.3	53%	0.527	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-62.7	-23.4	174.9	-60.3	0	0	0	0	112.4	P414 C415 Y419 P421	P414-C417 WeakPolarHBondContact O-CB 3.4Å; P414-C417 PolarHBondContact O-N 3.49Å; C415-C417 VanDerWaalsContact C-N 3.25Å; C415-C417 PolarHBondContact O-N 2.83Å; C417-Y419 VanDerWaalsContact C-N 3.33Å; C417-P421 VanDerWaalsContact O-CD 3.22Å; C417-P421 WeakPolarHBondContact O-CD 3.48Å
418	C	92.1	Very high	92	Very high	62 Å²	62	69.7 Å²	69.7	42%	0.419	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-77.9	-14.3	174.2	-56.9	0	0	0	0	113.2	C415 M416 L420 P421 L422	C415-C418 VanDerWaalsContact O-CB 3.3Å; C415-C418 WeakPolarHBondContact O-CB 3.16Å; C415-C418 PolarHBondContact O-N 3.15Å; M416-C418 PolarHBondContact O-N 3.02Å; C418-L420 PolarHBondContact O-N 3.18Å; C418-P421 WeakPolarHBondContact O-CD 3.4Å; C418-L422 HydrophobicContact CB-CD1 4.03Å; C418-L422 HydrophobicContact CB-CG 4.49Å; C418-L422 VanDerWaalsContact O-CB 3.22Å; C418-L422 WeakPolarHBondContact O-CB 3.05Å; C418-L422 WeakPolarHBondContact O-CD1 3.49Å; C418-L422 WeakPolarHBondContact O-CG 3.35Å; C418-L422 PolarHBondContact O-N 3.32Å
419	Y	91.8	Very high	91.8	Very high	24 Å²	24	67.8 Å²	67.8	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-59.7	-48.5	-178.3	-178.4	-117.7	0	0	0	112.5	I362 S366 M368 C390 M416 C417 L422 R423	I362-Y419 HydrophobicContact CG2-CD2 3.86Å; I362-Y419 HydrophobicContact CG2-CE2 4.1Å; S366-Y419 VanDerWaalsContact OG-CD2 3.32Å; S366-Y419 WeakPolarHBondContact OG-CD2 3.41Å; M368-Y419 HydrophobicContact CE-CD1 3.91Å; M368-Y419 HydrophobicContact CE-CE1 3.85Å; M368-Y419 HydrophobicContact CE-CG 4.37Å; M368-Y419 HydrophobicContact CG-CD1 4.09Å; M368-Y419 HydrophobicContact CG-CD2 3.43Å; M368-Y419 VanDerWaalsContact CG-CD2 3.43Å; M368-Y419 HydrophobicContact CG-CE1 4.4Å; M368-Y419 HydrophobicContact CG-CE2 3.77Å; M368-Y419 HydrophobicContact CG-CG 3.58Å; M368-Y419 HydrophobicContact SD-CD1 3.69Å; M368-Y419 HydrophobicContact SD-CD2 4.15Å; M368-Y419 HydrophobicContact SD-CE1 4.21Å; M368-Y419 HydrophobicContact SD-CG 3.64Å; C390-Y419 VanDerWaalsContact SG-CE1 3.54Å; M416-Y419 VanDerWaalsContact O-CB 3.24Å; M416-Y419 WeakPolarHBondContact O-CB 3.48Å; M416-Y419 PolarHBondContact O-N 3.18Å; C417-Y419 VanDerWaalsContact C-N 3.33Å; Y419-L422 PolarHBondContact O-N 2.99Å; Y419-R423 WeakPolarHBondContact O-CB 3.48Å; Y419-R423 PolarHBondContact O-N 3.36Å; Y419-R423 PolarHBondContact OH-NH1 3.24Å
420	L	90.3	Very high	91.7	Very high	116 Å²	116	69.5 Å²	69.5	61%	0.607	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-48.3	-177.7	-62	175.3	0	0	0	112.4	C418 L422 R423 A424	C418-L420 PolarHBondContact O-N 3.18Å; L420-L422 PolarHBondContact O-N 3.49Å; L420-R423 PolarHBondContact O-N 2.89Å; L420-A424 WeakPolarHBondContact O-CB 3.39Å; L420-A424 PolarHBondContact O-N 3.36Å
421	P	93.1	Very high	91.6	Very high	84 Å²	84	71.9 Å²	71.9	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-58.3	-42.5	172	-26.4	34.6	0	0	0	114	C417 C418 A424 C425	C417-P421 VanDerWaalsContact O-CD 3.22Å; C417-P421 WeakPolarHBondContact O-CD 3.48Å; C418-P421 WeakPolarHBondContact O-CD 3.4Å; P421-A424 PolarHBondContact O-N 2.96Å; P421-C425 WeakPolarHBondContact O-CB 3.33Å; P421-C425 PolarHBondContact O-N 2.72Å
422	L	92.4	Very high	91.5	Very high	57 Å²	57	67.8 Å²	67.8	30%	0.298	41%	0.405	S	S	.	.	H	α-helix	trans	-68.1	-40.2	179.6	-72.9	171.9	0	0	0	111.9	I362 V365 C418 Y419 L420 C425 H426	I362-L422 HydrophobicContact CB-CB 4.41Å; I362-L422 HydrophobicContact CD1-CB 4.24Å; I362-L422 WeakPolarHBondContact CD1-O 3.39Å; I362-L422 HydrophobicContact CG1-CB 4Å; I362-L422 HydrophobicContact CG2-CB 3.64Å; I362-L422 HydrophobicContact CG2-CD1 4.3Å; V365-L422 HydrophobicContact CG1-CD1 4.48Å; C418-L422 HydrophobicContact CB-CD1 4.03Å; C418-L422 HydrophobicContact CB-CG 4.49Å; C418-L422 VanDerWaalsContact O-CB 3.22Å; C418-L422 WeakPolarHBondContact O-CB 3.05Å; C418-L422 WeakPolarHBondContact O-CD1 3.49Å; C418-L422 WeakPolarHBondContact O-CG 3.35Å; C418-L422 PolarHBondContact O-N 3.32Å; Y419-L422 PolarHBondContact O-N 2.99Å; L420-L422 PolarHBondContact O-N 3.49Å; L422-C425 PolarHBondContact O-N 3.37Å; L422-H426 WeakPolarHBondContact O-CB 3.24Å; L422-H426 PolarHBondContact O-N 2.84Å
423	R	91.2	Very high	91.3	Very high	107 Å²	107	65.8 Å²	65.8	40%	0.404	39%	0.392	S	S	.	.	H	α-helix	trans	-66.4	-37	175.4	-172.9	171.3	178.3	174.3	-7.4	111.7	Y419 L420 H426 H427	Y419-R423 WeakPolarHBondContact O-CB 3.48Å; Y419-R423 PolarHBondContact O-N 3.36Å; Y419-R423 PolarHBondContact OH-NH1 3.24Å; L420-R423 PolarHBondContact O-N 2.89Å; R423-H426 PolarHBondContact O-N 3.35Å; R423-H427 WeakPolarHBondContact O-CB 3.28Å; R423-H427 PolarHBondContact O-N 2.62Å
424	A	92.4	Very high	91.1	Very high	57 Å²	57	69.5 Å²	69.5	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-65	-44.7	171.6	0	0	0	0	0	111.9	L420 P421 H426 H427 C428	L420-A424 WeakPolarHBondContact O-CB 3.39Å; L420-A424 PolarHBondContact O-N 3.36Å; P421-A424 PolarHBondContact O-N 2.96Å; A424-H426 VanDerWaalsContact C-N 3.34Å; A424-H426 PolarHBondContact O-N 3.41Å; A424-H427 PolarHBondContact O-N 2.96Å; A424-C428 PolarHBondContact O-N 2.78Å; A424-C428 PolarHBondContact O-SG 3.49Å; A424-C428 VanDerWaalsContact O-SG 3.36Å
425	C	93.6	Very high	91	Very high	91 Å²	91	65.9 Å²	65.9	62%	0.615	39%	0.393	S	S	*	.	H	α-helix	trans	-60.6	-41.7	175.1	-177.5	0	0	0	0	112.2	P421 L422 C428 G429	P421-C425 WeakPolarHBondContact O-CB 3.33Å; P421-C425 PolarHBondContact O-N 2.72Å; L422-C425 PolarHBondContact O-N 3.37Å; C425-C428 PolarHBondContact O-N 2.89Å; C425-G429 PolarHBondContact O-N 2.9Å
426	H	92.7	Very high	90.8	Very high	14 Å²	14	64.5 Å²	64.5	7%	0.065	39%	0.385	C	S	.	.	H	α-helix	trans	-62.5	-46.1	174	170.4	-103	0	0	0	112.3	D356 I362 L422 R423 A424 C428 G429 E430 C435	D356-H426 IonicContact OD2-CD2 3.42Å; D356-H426 IonicContact OD2-CE1 3.5Å; D356-H426 IonicContact OD2-NE2 3.7Å; D356-H426 PolarHBondContact OD2-NE2 2.78Å; I362-H426 HydrophobicContact CD1-CB 3.52Å; L422-H426 WeakPolarHBondContact O-CB 3.24Å; L422-H426 PolarHBondContact O-N 2.84Å; R423-H426 PolarHBondContact O-N 3.35Å; A424-H426 VanDerWaalsContact C-N 3.34Å; A424-H426 PolarHBondContact O-N 3.41Å; H426-C428 VanDerWaalsContact C-N 3.33Å; H426-C428 PolarHBondContact O-N 3.23Å; H426-G429 CarbonylContact O-C 3.38Å; H426-G429 WeakPolarHBondContact O-CA 3.45Å; H426-G429 PolarHBondContact O-N 2.67Å; H426-E430 IonicContact CE1-OE1 3.72Å; H426-E430 PolarHBondContact CE1-OE1 3.4Å; H426-E430 IonicContact CE1-OE2 3.36Å; H426-E430 IonicContact NE2-OE1 3.22Å; H426-E430 PolarHBondContact NE2-OE1 2.91Å; H426-E430 PolarHBondContact O-N 3.44Å; H426-C435 VanDerWaalsContact CD2-SG 3.57Å; H426-C435 PolarHBondContact O-SG 3.47Å
427	H	90.7	Very high	90.7	Very high	126 Å²	126	64 Å²	64	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-60.4	-39.9	175.6	-172.1	-85.6	0	0	0	112.6	R423 A424 G429 E430 A431	R423-H427 WeakPolarHBondContact O-CB 3.28Å; R423-H427 PolarHBondContact O-N 2.62Å; A424-H427 PolarHBondContact O-N 2.96Å; H427-G429 VanDerWaalsContact C-N 3.32Å; H427-G429 PolarHBondContact O-N 3.12Å; H427-E430 PolarHBondContact O-N 2.84Å; H427-A431 WeakPolarHBondContact O-CB 3.25Å; H427-A431 PolarHBondContact O-N 3.46Å
428	C	92.8	Very high	90.8	Very high	80 Å²	80	64.5 Å²	64.5	54%	0.541	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-39.5	170.5	-66.9	0	0	0	0	111.9	A424 C425 H426 A431 C432	A424-C428 PolarHBondContact O-N 2.78Å; A424-C428 PolarHBondContact O-SG 3.49Å; A424-C428 VanDerWaalsContact O-SG 3.36Å; C425-C428 PolarHBondContact O-N 2.89Å; H426-C428 VanDerWaalsContact C-N 3.33Å; H426-C428 PolarHBondContact O-N 3.23Å; C428-A431 PolarHBondContact O-N 3.06Å; C428-C432 WeakPolarHBondContact O-CB 3.44Å; C428-C432 PolarHBondContact O-N 3.36Å; C428-C432 PolarHBondContact O-SG 3.45Å; C428-C432 VanDerWaalsContact O-SG 3.36Å
429	G	90.4	Very high	90.7	Very high	13 Å²	13	62.4 Å²	62.4	13%	0.134	36%	0.361	C	S	.	.	H	α-helix	trans	-68.5	-30.7	176	0	0	0	0	0	114.1	C425 H426 H427 H433 C434 C435	C425-G429 PolarHBondContact O-N 2.9Å; H426-G429 CarbonylContact O-C 3.38Å; H426-G429 WeakPolarHBondContact O-CA 3.45Å; H426-G429 PolarHBondContact O-N 2.67Å; H427-G429 VanDerWaalsContact C-N 3.32Å; H427-G429 PolarHBondContact O-N 3.12Å; G429-H433 CarbonylContact O-C 3.53Å; G429-H433 PolarHBondContact O-N 2.87Å; G429-H433 VanDerWaalsContact O-N 3.13Å; G429-C434 PolarHBondContact O-N 2.99Å; G429-C435 WeakPolarHBondContact CA-SG 3.24Å; G429-C435 PolarHBondContact O-N 2.82Å; G429-C435 VanDerWaalsContact O-N 3.13Å
430	E	90.1	Very high	90.7	Very high	61 Å²	61	67 Å²	67	29%	0.285	38%	0.381	S	S	.	.	H	α-helix	trans	-70.1	-44.7	171.4	-70	-171.8	140.4	0	0	110.8	H426 H427 C432 H433 C435 G436	H426-E430 IonicContact CE1-OE1 3.72Å; H426-E430 PolarHBondContact CE1-OE1 3.4Å; H426-E430 IonicContact CE1-OE2 3.36Å; H426-E430 IonicContact NE2-OE1 3.22Å; H426-E430 PolarHBondContact NE2-OE1 2.91Å; H426-E430 PolarHBondContact O-N 3.44Å; H427-E430 PolarHBondContact O-N 2.84Å; E430-C432 VanDerWaalsContact C-N 3.26Å; E430-C432 PolarHBondContact O-N 2.89Å; E430-H433 PolarHBondContact O-N 2.89Å; E430-H433 PolarHBondContact O-ND1 3.36Å; E430-C435 PolarHBondContact N-SG 3.02Å; E430-C435 VanDerWaalsContact N-SG 3.44Å; E430-G436 WeakPolarHBondContact OE1-CA 3.44Å
431	A	89.4	Confident	90.6	Very high	71 Å²	71	62.5 Å²	62.5	59%	0.587	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-31.4	175.1	0	0	0	0	0	113.2	H427 C428	H427-A431 WeakPolarHBondContact O-CB 3.25Å; H427-A431 PolarHBondContact O-N 3.46Å; C428-A431 PolarHBondContact O-N 3.06Å
432	C	91.3	Very high	89.8	Confident	91 Å²	91	61.6 Å²	61.6	62%	0.615	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	4.5	172.8	-66.2	0	0	0	0	114	C428 E430 C434	C428-C432 WeakPolarHBondContact O-CB 3.44Å; C428-C432 PolarHBondContact O-N 3.36Å; C428-C432 PolarHBondContact O-SG 3.45Å; C428-C432 VanDerWaalsContact O-SG 3.36Å; E430-C432 VanDerWaalsContact C-N 3.26Å; E430-C432 PolarHBondContact O-N 2.89Å; C432-C434 PolarHBondContact O-N 3.35Å; C432-C434 VanDerWaalsContact O-N 3.13Å
433	H	87.9	Confident	88.2	Confident	99 Å²	99	66.1 Å²	66.1	46%	0.458	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	21.2	-177.3	-49.1	-42.4	0	0	0	115.5	W347 R348 G429 E430	W347-H433 HydrophobicContact CB-CB 4.3Å; W347-H433 AromaticContact CD1-CE1 3.55Å; W347-H433 AromaticContact CD1-CG 3.83Å; W347-H433 AromaticContact CD1-ND1 3.34Å; W347-H433 VanDerWaalsContact CD1-ND1 3.34Å; W347-H433 AromaticContact NE1-CE1 3.6Å; W347-H433 AromaticContact NE1-ND1 3.85Å; R348-H433 WeakPolarHBondContact CB-O 3.25Å; G429-H433 CarbonylContact O-C 3.53Å; G429-H433 PolarHBondContact O-N 2.87Å; G429-H433 VanDerWaalsContact O-N 3.13Å; E430-H433 PolarHBondContact O-N 2.89Å; E430-H433 PolarHBondContact O-ND1 3.36Å
434	C	87.1	Confident	88	Confident	90 Å²	90	64.1 Å²	64.1	61%	0.608	42%	0.421	S	S	*	.	S	Bend	trans	-80.5	-32.8	176.3	-62.7	0	0	0	0	112.7	R348 G429 C432	R348-C434 WeakPolarHBondContact CD-O 3.34Å; G429-C434 PolarHBondContact O-N 2.99Å; C432-C434 PolarHBondContact O-N 3.35Å; C432-C434 VanDerWaalsContact O-N 3.13Å
435	C	88.6	Confident	87.8	Confident	10 Å²	10	64.4 Å²	64.4	7%	0.068	42%	0.418	C	S	.	.	S	Bend	trans	-136.9	-175.9	177.3	62.4	0	0	0	0	111.5	R348 G349 I358 H426 G429 E430	R348-C435 CarbonylContact C-O 3.53Å; R348-C435 VanDerWaalsContact C-O 3.3Å; R348-C435 WeakPolarHBondContact CB-O 3.33Å; G349-C435 PolarHBondContact N-O 3.43Å; I358-C435 HydrophobicContact CD1-CB 3.38Å; H426-C435 VanDerWaalsContact CD2-SG 3.57Å; H426-C435 PolarHBondContact O-SG 3.47Å; G429-C435 WeakPolarHBondContact CA-SG 3.24Å; G429-C435 PolarHBondContact O-N 2.82Å; G429-C435 VanDerWaalsContact O-N 3.13Å; E430-C435 PolarHBondContact N-SG 3.02Å; E430-C435 VanDerWaalsContact N-SG 3.44Å
436	G	87.7	Confident	87.5	Confident	6 Å²	6	62.9 Å²	62.9	6%	0.062	41%	0.408	C	S	.	.	S	Bend	trans	102.4	157.7	-173.8	0	0	0	0	0	114.1	G349 D356 E430	G349-G436 VanDerWaalsContact N-C 3.31Å; G349-G436 PolarHBondContact N-O 3.17Å; D356-G436 WeakPolarHBondContact OD2-CA 3.35Å; D356-G436 PolarHBondContact OD2-N 3.2Å; E430-G436 WeakPolarHBondContact OE1-CA 3.44Å
437	G	89.3	Confident	87.2	Confident	6 Å²	6	65.8 Å²	65.8	6%	0.062	43%	0.428	C	S	.	.			trans	-63.1	148.1	178.7	0	0	0	0	0	113.7	G349 Q350 C351	G349-G437 CarbonylContact C-O 3.55Å; G349-G437 WeakPolarHBondContact CA-O 3.04Å; G349-G437 PolarHBondContact N-O 2.89Å; Q350-G437 PolarHBondContact N-O 3.28Å; C351-G437 PolarHBondContact N-O 3.44Å
438	K	91.4	Very high	86.9	Confident	89 Å²	89	62.1 Å²	62.1	39%	0.387	42%	0.418	S	S	.	.			trans	-118.5	148.4	177	-81.7	-163.6	165.4	-151.8	0	111.5	N346 R348 A354	N346-K438 WeakPolarHBondContact O-CE 3.39Å; N346-K438 PolarHBondContact O-NZ 3.34Å; R348-K438 HydrophobicContact CG-CD 4.21Å; R348-K438 HydrophobicContact CG-CG 4.23Å; A354-K438 WeakPolarHBondContact CB-O 3.13Å
439	H	91	Very high	86.6	Confident	19 Å²	19	60.9 Å²	60.9	9%	0.088	41%	0.41	C	S	.	.			trans	-65.8	143.1	170.7	-62.2	-89	0	0	0	110.1	C334 F341 N346 Q350 C351	C334-H439 HydrophobicContact CB-CB 4.17Å; C334-H439 WeakPolarHBondContact CB-ND1 3.48Å; C334-H439 PolarHBondContact SG-ND1 2.98Å; F341-H439 HydrophobicContact CB-CB 4.22Å; F341-H439 HydrophobicContact CD1-CB 3.59Å; F341-H439 AromaticContact CD1-CG 3.96Å; F341-H439 HydrophobicContact CD2-CB 3.41Å; F341-H439 VanDerWaalsContact CD2-CB 3.41Å; F341-H439 AromaticContact CD2-CG 3.95Å; F341-H439 HydrophobicContact CE1-CB 3.72Å; F341-H439 HydrophobicContact CE2-CB 3.56Å; F341-H439 HydrophobicContact CG-CB 3.44Å; F341-H439 VanDerWaalsContact CG-CB 3.44Å; F341-H439 AromaticContact CG-CG 3.63Å; F341-H439 HydrophobicContact CZ-CB 3.72Å; N346-H439 PolarHBondContact ND2-O 2.85Å; N346-H439 PolarHBondContact OD1-N 2.9Å; Q350-H439 PolarHBondContact O-NE2 3.3Å; C351-H439 HydrophobicContact CB-CB 4.41Å
440	K	90.8	Very high	86.3	Confident	121 Å²	121	64.3 Å²	64.3	53%	0.526	43%	0.429	S	S	.	.			trans	-128.4	128	172.4	-177.9	171.6	178.5	178.3	0	108.5	C334 I335 Y336	C334-K440 CarbonylContact C-O 3.45Å; C334-K440 VanDerWaalsContact CA-O 3.32Å; C334-K440 WeakPolarHBondContact CA-O 3.22Å; I335-K440 HydrophobicContact CD1-CB 4.12Å; I335-K440 HydrophobicContact CD1-CD 3.88Å; I335-K440 HydrophobicContact CD1-CG 4.02Å; I335-K440 HydrophobicContact CG1-CB 4.15Å; I335-K440 PolarHBondContact N-O 3.43Å; Y336-K440 HydrophobicContact CD2-CB 4.27Å; Y336-K440 HydrophobicContact CE2-CB 3.52Å
441	A	88.5	Confident	86	Confident	21 Å²	21	64.5 Å²	64.5	17%	0.174	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-65	150.2	177.9	0	0	0	0	0	110.9	F341 H343 G443	F341-A441 HydrophobicContact CE1-CB 4.5Å; F341-A441 HydrophobicContact CZ-CB 4.18Å; H343-A441 WeakPolarHBondContact NE2-CB 3.36Å; A441-G443 PolarHBondContact O-N 3.16Å
442	A	77.6	Confident	85.7	Confident	65 Å²	65	64 Å²	64	54%	0.537	43%	0.428	S	S	.	.			trans	-70.3	120.5	159.8	0	0	0	0	0	107.9	R333 I335	R333-A442 PolarHBondContact O-N 3.01Å; I335-A442 HydrophobicContact CG2-CB 3.84Å
443	G	57.3	Low	85.2	Confident	151 Å²	151	61.5 Å²	61.5	100%	1.557	41%	0.411	S	S	*	.			trans	-82.9	0	170.1	0	0	0	0	0	112.2	A441	A441-G443 PolarHBondContact O-N 3.16Å

Retrieved 443 of 443 residues in 641.9 ms (Link to these results)

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