A0A3Q0KHR0_SCHMA Loading...

Sodium / potassium ATPase beta chain

AlphaFold DB , UniProt , Accession A0A3Q0KHR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 243 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	64	Low	75.7	Confident	195 Å²	195	139.8 Å²	139.8	96%	0.961	65%	0.648	S	S	*	*				0	-49.4	0	-152.9	170.3	84.3	0	0	112.7	I3 L4	M1-I3 PolarHBondContact O-N 2.95Å; M1-L4 PolarHBondContact O-N 3.12Å
2	Y	74.1	Confident	76.2	Confident	191 Å²	191	137.2 Å²	137.2	75%	0.749	64%	0.642	S	S	*	*	H	α-helix	trans	-59.7	-36.1	-179.7	-65.3	-75.1	0	0	0	115.6	L4 F5 Y6	Y2-L4 VanDerWaalsContact C-N 3.28Å; Y2-L4 PolarHBondContact O-N 3.49Å; Y2-F5 VanDerWaalsContact O-CB 3.28Å; Y2-F5 WeakPolarHBondContact O-CB 3.32Å; Y2-F5 PolarHBondContact O-N 3.3Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.37Å; Y2-Y6 PolarHBondContact O-N 3.12Å
3	I	74.5	Confident	76.7	Confident	129 Å²	129	135.2 Å²	135.2	66%	0.662	63%	0.627	S	S	*	*	H	α-helix	trans	-61.2	-37.5	178.9	-63.5	171.9	0	0	0	111.6	M1 F5 Y6 F7	M1-I3 PolarHBondContact O-N 2.95Å; I3-F5 PolarHBondContact O-N 3.1Å; I3-Y6 PolarHBondContact O-N 2.7Å; I3-F7 HydrophobicContact CG2-CD2 4.43Å; I3-F7 HydrophobicContact CG2-CE2 3.76Å; I3-F7 VanDerWaalsContact O-CD2 3.23Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å
4	L	74.4	Confident	77.4	Confident	123 Å²	123	129.9 Å²	129.9	64%	0.644	61%	0.61	S	S	*	*	H	α-helix	trans	-63.9	-32	176.3	-66.7	172.6	0	0	0	111.8	M1 Y2 Y6 F7 T8	M1-L4 PolarHBondContact O-N 3.12Å; Y2-L4 VanDerWaalsContact C-N 3.28Å; Y2-L4 PolarHBondContact O-N 3.49Å; L4-Y6 PolarHBondContact O-N 2.72Å; L4-F7 PolarHBondContact O-N 3.38Å; L4-T8 PolarHBondContact O-N 2.98Å
5	F	76.8	Confident	77.9	Confident	120 Å²	120	130.3 Å²	130.3	53%	0.526	61%	0.609	S	S	.	*	H	α-helix	trans	-66.7	-38.1	-179.7	-166.6	-116.2	0	0	0	112.1	Y2 I3 F7 T8 I9	Y2-F5 VanDerWaalsContact O-CB 3.28Å; Y2-F5 WeakPolarHBondContact O-CB 3.32Å; Y2-F5 PolarHBondContact O-N 3.3Å; I3-F5 PolarHBondContact O-N 3.1Å; F5-F7 VanDerWaalsContact C-N 3.28Å; F5-F7 PolarHBondContact O-N 3.13Å; F5-T8 PolarHBondContact O-N 3.38Å; F5-T8 PolarHBondContact O-OG1 3.22Å; F5-I9 HydrophobicContact CD1-CD1 3.48Å; F5-I9 VanDerWaalsContact CD1-CD1 3.48Å; F5-I9 HydrophobicContact CE1-CD1 3.11Å; F5-I9 HydrophobicContact CE1-CG1 4.29Å; F5-I9 HydrophobicContact CE2-CD1 4.28Å; F5-I9 HydrophobicContact CG-CD1 4.22Å; F5-I9 HydrophobicContact CZ-CD1 3.56Å; F5-I9 HydrophobicContact CZ-CG1 4.41Å; F5-I9 PolarHBondContact O-N 3.32Å
6	Y	76.1	Confident	78.4	Confident	181 Å²	181	128.8 Å²	128.8	71%	0.71	61%	0.605	S	S	*	*	H	α-helix	trans	-59.1	-37.9	175.4	-81.1	-79	0	0	0	112.5	Y2 I3 L4 T8 I9	Y2-Y6 WeakPolarHBondContact O-CD2 3.37Å; Y2-Y6 PolarHBondContact O-N 3.12Å; I3-Y6 PolarHBondContact O-N 2.7Å; L4-Y6 PolarHBondContact O-N 2.72Å; Y6-T8 PolarHBondContact O-N 3.36Å; Y6-I9 PolarHBondContact O-N 3.2Å
7	F	76.2	Confident	78.7	Confident	171 Å²	171	124.6 Å²	124.6	75%	0.75	59%	0.591	S	S	*	*	H	α-helix	trans	-70.3	-19.1	176.6	-65.5	-68	0	0	0	113.5	I3 L4 F5	I3-F7 HydrophobicContact CG2-CD2 4.43Å; I3-F7 HydrophobicContact CG2-CE2 3.76Å; I3-F7 VanDerWaalsContact O-CD2 3.23Å; I3-F7 WeakPolarHBondContact O-CD2 3.45Å; L4-F7 PolarHBondContact O-N 3.38Å; F5-F7 VanDerWaalsContact C-N 3.28Å; F5-F7 PolarHBondContact O-N 3.13Å
8	T	77.9	Confident	79	Confident	74 Å²	74	118.8 Å²	118.8	45%	0.454	57%	0.569	S	S	.	*	H	α-helix	trans	-91	-8.6	177	69	0	0	0	0	114.1	L4 F5 Y6	L4-T8 PolarHBondContact O-N 2.98Å; F5-T8 PolarHBondContact O-N 3.38Å; F5-T8 PolarHBondContact O-OG1 3.22Å; Y6-T8 PolarHBondContact O-N 3.36Å
9	I	79.4	Confident	79.3	Confident	68 Å²	68	119.6 Å²	119.6	35%	0.349	58%	0.576	S	S	.	*	S	Bend	trans	-110	113.7	-179.7	-64	172.1	0	0	0	108.3	F5 Y6	F5-I9 HydrophobicContact CD1-CD1 3.48Å; F5-I9 VanDerWaalsContact CD1-CD1 3.48Å; F5-I9 HydrophobicContact CE1-CD1 3.11Å; F5-I9 HydrophobicContact CE1-CG1 4.29Å; F5-I9 HydrophobicContact CE2-CD1 4.28Å; F5-I9 HydrophobicContact CG-CD1 4.22Å; F5-I9 HydrophobicContact CZ-CD1 3.56Å; F5-I9 HydrophobicContact CZ-CG1 4.41Å; F5-I9 PolarHBondContact O-N 3.32Å; Y6-I9 PolarHBondContact O-N 3.2Å
10	L	79.5	Confident	79.5	Confident	95 Å²	95	119.9 Å²	119.9	50%	0.497	58%	0.581	S	S	.	*			trans	-71.5	143.7	173.3	-67	164.2	0	0	0	109.8	D12 Y13	L10-D12 VanDerWaalsContact C-N 3.31Å; L10-D12 PolarHBondContact O-N 3.46Å; L10-Y13 HydrophobicContact CB-CE1 4.31Å; L10-Y13 HydrophobicContact CD1-CE1 3.64Å; L10-Y13 HydrophobicContact CD1-CE2 3.97Å; L10-Y13 WeakPolarHBondContact CD1-OH 3.35Å
11	K	80.2	Confident	79.7	Confident	191 Å²	191	116 Å²	116	83%	0.83	56%	0.563	S	S	*	*	S	Bend	trans	-69.9	-29.8	-178	-172.9	179	177.1	-176.1	0	112.5
12	D	80.9	Confident	80.6	Confident	108 Å²	108	115.7 Å²	115.7	58%	0.578	56%	0.56	S	S	*	*	S	Bend	trans	-84.2	-30	-166.5	-58.2	-33.1	0	0	0	113.1	L10 N192	L10-D12 VanDerWaalsContact C-N 3.31Å; L10-D12 PolarHBondContact O-N 3.46Å; D12-N192 VanDerWaalsContact O-CB 3.3Å; D12-N192 WeakPolarHBondContact O-CB 3.4Å; D12-N192 PolarHBondContact O-ND2 3.48Å
13	Y	83.5	Confident	81.1	Confident	112 Å²	112	111 Å²	111	44%	0.439	55%	0.547	S	S	.	.	S	Bend	trans	-144.6	147.1	-178	61.3	-93.6	0	0	0	112.5	L10 Y124	L10-Y13 HydrophobicContact CB-CE1 4.31Å; L10-Y13 HydrophobicContact CD1-CE1 3.64Å; L10-Y13 HydrophobicContact CD1-CE2 3.97Å; L10-Y13 WeakPolarHBondContact CD1-OH 3.35Å; Y13-Y124 WeakPolarHBondContact CB-OH 3.31Å
14	P	85.7	Confident	81.7	Confident	61 Å²	61	111.9 Å²	111.9	40%	0.396	55%	0.546	S	S	.	.			trans	-67.6	146	178.9	28.4	-33	0	0	0	110.7	L16 T17 Y124	P14-L16 VanDerWaalsContact C-N 3.27Å; P14-L16 PolarHBondContact O-N 2.92Å; P14-T17 HydrophobicContact CG-CG2 3.82Å; P14-T17 WeakPolarHBondContact O-CG2 3.45Å; P14-Y124 HydrophobicContact CG-CD1 4.46Å; P14-Y124 HydrophobicContact CG-CG 4.09Å
15	K	85.3	Confident	82.4	Confident	135 Å²	135	108.4 Å²	108.4	59%	0.587	53%	0.528	S	S	*	.	S	Bend	trans	-61.3	-34.4	179.4	-174	174.1	-177.1	174.9	0	113.2
16	L	85.3	Confident	83.2	Confident	106 Å²	106	103.5 Å²	103.5	56%	0.555	51%	0.507	S	S	*	.	S	Bend	trans	-109.2	108.5	177.2	-60.1	177.9	0	0	0	109.3	P14 N20	P14-L16 VanDerWaalsContact C-N 3.27Å; P14-L16 PolarHBondContact O-N 2.92Å; L16-N20 HydrophobicContact CB-CB 4.47Å; L16-N20 HydrophobicContact CD2-CB 4.3Å
17	T	83.4	Confident	84	Confident	58 Å²	58	95 Å²	95	36%	0.356	47%	0.474	S	S	.	.			trans	-115.1	170.1	176.7	55.7	0	0	0	0	110.9	P14 N20 Y124	P14-T17 HydrophobicContact CG-CG2 3.82Å; P14-T17 WeakPolarHBondContact O-CG2 3.45Å; T17-N20 PolarHBondContact O-N 3.07Å; T17-Y124 HydrophobicContact CG2-CD1 3.72Å; T17-Y124 HydrophobicContact CG2-CE1 4.23Å
18	G	84.7	Confident	84.8	Confident	20 Å²	20	87.4 Å²	87.4	21%	0.206	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	65.1	-138.4	175.1	0	0	0	0	0	113	N20 N21	G18-N20 PolarHBondContact O-N 3.11Å; G18-N21 VanDerWaalsContact O-CB 3.28Å; G18-N21 WeakPolarHBondContact O-CB 3.5Å; G18-N21 PolarHBondContact O-N 3.38Å
19	L	84.3	Confident	85.6	Confident	134 Å²	134	84.5 Å²	84.5	70%	0.702	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-70.1	-15.1	179	-64.8	175.7	0	0	0	113.5	N21	L19-N21 VanDerWaalsContact C-N 3.3Å
20	N	83.8	Confident	86.3	Confident	125 Å²	125	82.8 Å²	82.8	67%	0.668	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-81.4	-13.1	175.5	-61.2	-32.1	0	0	0	112.3	L16 T17 G18	L16-N20 HydrophobicContact CB-CB 4.47Å; L16-N20 HydrophobicContact CD2-CB 4.3Å; T17-N20 PolarHBondContact O-N 3.07Å; G18-N20 PolarHBondContact O-N 3.11Å
21	N	83.8	Confident	87	Confident	39 Å²	39	78.7 Å²	78.7	21%	0.209	40%	0.398	C	S	.	.	S	Bend	trans	-68	143.4	169.6	-178.6	-0.2	0	0	0	109.3	G18 L19 L23 K24	G18-N21 VanDerWaalsContact O-CB 3.28Å; G18-N21 WeakPolarHBondContact O-CB 3.5Å; G18-N21 PolarHBondContact O-N 3.38Å; L19-N21 VanDerWaalsContact C-N 3.3Å; N21-L23 PolarHBondContact O-N 2.75Å; N21-L23 PolarHBondContact OD1-N 3.36Å; N21-K24 WeakPolarHBondContact O-CA 3.44Å; N21-K24 PolarHBondContact O-N 2.91Å
22	Q	83.4	Confident	87.7	Confident	189 Å²	189	70 Å²	70	88%	0.883	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.9	173.6	-69.4	-179.3	-33.4	0	0	112.7	K24	Q22-K24 VanDerWaalsContact C-N 3.27Å; Q22-K24 PolarHBondContact O-N 3.16Å
23	L	83.8	Confident	88.3	Confident	92 Å²	92	64.9 Å²	64.9	48%	0.482	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.5	177.3	-60.9	177.3	0	0	0	113.9	N21 L25 N26 I123	N21-L23 PolarHBondContact O-N 2.75Å; N21-L23 PolarHBondContact OD1-N 3.36Å; L23-L25 PolarHBondContact O-N 2.74Å; L23-L25 VanDerWaalsContact O-N 3.11Å; L23-N26 WeakPolarHBondContact O-CB 3.48Å; L23-N26 PolarHBondContact O-N 2.9Å; L23-I123 HydrophobicContact CB-CD1 4.17Å; L23-I123 HydrophobicContact CD1-CD1 4.12Å; L23-I123 HydrophobicContact CD1-CG1 4.13Å
24	K	88	Confident	88.2	Confident	147 Å²	147	63.7 Å²	63.7	64%	0.639	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	42.2	-179.7	-58.5	179.8	-177.6	175.7	0	114.2	N21 Q22 N26	N21-K24 WeakPolarHBondContact O-CA 3.44Å; N21-K24 PolarHBondContact O-N 2.91Å; Q22-K24 VanDerWaalsContact C-N 3.27Å; Q22-K24 PolarHBondContact O-N 3.16Å; K24-N26 PolarHBondContact O-N 3.29Å
25	L	88.7	Confident	87.5	Confident	50 Å²	50	61.6 Å²	61.6	26%	0.262	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	22.2	-176.5	-65.2	171.3	0	0	0	115.1	L23 P27 I123 W126	L23-L25 PolarHBondContact O-N 2.74Å; L23-L25 VanDerWaalsContact O-N 3.11Å; L25-P27 WeakPolarHBondContact O-CD 3.32Å; L25-I123 HydrophobicContact CD2-CG2 3.91Å; L25-W126 HydrophobicContact CD2-CB 4.28Å; L25-W126 PolarHBondContact O-NE1 3.06Å
26	N	92.9	Very high	86.8	Confident	18 Å²	18	60.6 Å²	60.6	10%	0.096	32%	0.323	C	S	.	.			trans	-106.7	98.9	176.5	-162.9	19.1	0	0	0	110.9	L23 K24 I225 H226 E233	L23-N26 WeakPolarHBondContact O-CB 3.48Å; L23-N26 PolarHBondContact O-N 2.9Å; K24-N26 PolarHBondContact O-N 3.29Å; N26-I225 WeakPolarHBondContact OD1-CG2 3.43Å; N26-H226 PolarHBondContact ND2-O 3.12Å; N26-H226 PolarHBondContact OD1-N 3.4Å; N26-H226 VanDerWaalsContact OD1-N 3.11Å; N26-H226 PolarHBondContact OD1-O 3.26Å; N26-E233 PolarHBondContact ND2-OE2 2.89Å
27	P	93.4	Very high	85.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	34%	0.337	C	S	.	.			trans	-70.6	141.3	-178.9	28.9	-34.7	0	0	0	112	L25 L120 N121 I123 W126 I225 G234	L25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-L120 HydrophobicContact CB-CD1 3.9Å; P27-L120 HydrophobicContact CB-CD2 4.35Å; P27-L120 HydrophobicContact CB-CG 3.89Å; P27-L120 HydrophobicContact CG-CD1 3.88Å; P27-L120 HydrophobicContact CG-CD2 4.03Å; P27-L120 HydrophobicContact CG-CG 4.03Å; P27-N121 WeakPolarHBondContact CB-O 3.43Å; P27-I123 HydrophobicContact CB-CD1 3.89Å; P27-I123 HydrophobicContact CB-CG1 4.34Å; P27-W126 HydrophobicContact CG-CH2 4.41Å; P27-W126 HydrophobicContact CG-CZ2 3.91Å; P27-I225 HydrophobicContact CG-CD1 3.85Å; P27-I225 HydrophobicContact CG-CG1 4.13Å; P27-G234 VanDerWaalsContact O-CA 3.28Å; P27-G234 WeakPolarHBondContact O-CA 3.44Å; P27-G234 PolarHBondContact O-N 3.04Å; P27-G234 VanDerWaalsContact O-N 3.15Å
28	G	93.1	Very high	85.3	Confident	13 Å²	13	68 Å²	68	13%	0.134	36%	0.359	C	S	.	.			trans	-84.7	176.9	165.1	0	0	0	0	0	112.1	N121	G28-N121 WeakPolarHBondContact O-CB 3.49Å; G28-N121 PolarHBondContact O-N 2.82Å
29	L	95.1	Very high	85.2	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.063	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	152.1	170.6	-70.7	174.5	0	0	0	110.6	I118 K119 L120 L139 Y183 C218 V220 I236	L29-I118 HydrophobicContact CB-CG2 4.28Å; L29-I118 HydrophobicContact CD1-CG2 4.28Å; L29-I118 HydrophobicContact CD2-CG2 3.93Å; L29-I118 HydrophobicContact CG-CG2 4.42Å; L29-K119 WeakPolarHBondContact CA-O 3.45Å; L29-L120 HydrophobicContact CD2-CD1 3.76Å; L29-L139 HydrophobicContact CD1-CD1 3.52Å; L29-L139 HydrophobicContact CD2-CD1 4.11Å; L29-L139 HydrophobicContact CG-CD1 4.49Å; L29-Y183 HydrophobicContact CD2-CE2 4.34Å; L29-C218 HydrophobicContact CD1-CB 4.32Å; L29-V220 HydrophobicContact CD1-CG2 3.64Å; L29-V220 HydrophobicContact CD2-CG2 3.49Å; L29-V220 VanDerWaalsContact CD2-CG2 3.49Å; L29-V220 HydrophobicContact CG-CG2 3.63Å; L29-I236 HydrophobicContact CB-CB 3.91Å; L29-I236 HydrophobicContact CB-CG2 3.71Å; L29-I236 HydrophobicContact CD1-CG2 3.99Å
30	S	93.5	Very high	85.4	Confident	33 Å²	33	66 Å²	66	23%	0.231	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.7	168.3	-62.1	0	0	0	0	109.8	I118 K119 N121	S30-I118 WeakPolarHBondContact O-CA 3.35Å; S30-K119 PolarHBondContact N-O 2.8Å; S30-K119 PolarHBondContact O-N 3.44Å; S30-N121 PolarHBondContact OG-OD1 3.48Å
31	I	94.7	Very high	85.8	Confident	9 Å²	9	62.5 Å²	62.5	5%	0.046	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.5	177.6	-171.2	167.7	0	0	0	110.6	I42 F116 A117 I236 F238	I31-I42 HydrophobicContact CD1-CD1 4.15Å; I31-F116 HydrophobicContact CD1-CB 3.92Å; I31-F116 HydrophobicContact CD1-CD1 3.82Å; I31-F116 HydrophobicContact CD1-CG 3.84Å; I31-F116 HydrophobicContact CG1-CB 3.91Å; I31-F116 HydrophobicContact CG1-CD1 4.12Å; I31-F116 HydrophobicContact CG1-CG 4.25Å; I31-A117 CarbonylContact C-O 3.56Å; I31-I236 HydrophobicContact CB-CD1 3.95Å; I31-I236 HydrophobicContact CG2-CD1 3.73Å; I31-F238 HydrophobicContact CD1-CD1 3.72Å; I31-F238 HydrophobicContact CD1-CD2 3.66Å; I31-F238 HydrophobicContact CD1-CE1 3.65Å; I31-F238 HydrophobicContact CD1-CE2 3.57Å; I31-F238 HydrophobicContact CD1-CG 3.73Å; I31-F238 HydrophobicContact CD1-CZ 3.57Å
32	I	94.7	Very high	86.3	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.1	173.6	-60	89	0	0	0	107.7	M59 F62 F116 A117 K119	I32-M59 HydrophobicContact CB-SD 4.35Å; I32-M59 HydrophobicContact CG2-SD 3.75Å; I32-M59 WeakPolarHBondContact O-CE 3.42Å; I32-F62 HydrophobicContact CB-CD1 4.31Å; I32-F62 HydrophobicContact CD1-CD1 4.45Å; I32-F62 HydrophobicContact CD1-CE1 3.99Å; I32-F62 HydrophobicContact CD1-CE2 4.29Å; I32-F62 HydrophobicContact CD1-CZ 3.89Å; I32-F62 HydrophobicContact CG1-CD1 4.06Å; I32-F62 HydrophobicContact CG1-CD2 4.22Å; I32-F62 HydrophobicContact CG1-CE1 4.1Å; I32-F62 HydrophobicContact CG1-CE2 4.27Å; I32-F62 HydrophobicContact CG1-CG 4.11Å; I32-F62 HydrophobicContact CG1-CZ 4.2Å; I32-F62 HydrophobicContact CG2-CB 3.91Å; I32-F62 HydrophobicContact CG2-CD1 3.92Å; I32-F62 HydrophobicContact CG2-CG 3.94Å; I32-F116 CarbonylContact O-C 3.22Å; I32-F116 WeakPolarHBondContact O-CA 2.94Å; I32-A117 HydrophobicContact CB-CB 4.25Å; I32-A117 WeakPolarHBondContact CD1-O 3.45Å; I32-A117 PolarHBondContact N-O 3.38Å; I32-A117 PolarHBondContact O-N 3.37Å; I32-K119 HydrophobicContact CD1-CD 3.84Å; I32-K119 HydrophobicContact CD1-CG 3.99Å
33	P	92.8	Very high	86.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	30%	0.296	C	S	.	.	S	Bend	cis	-59.7	152.6	-9.1	31.2	-41.9	0	0	0	111.9	M55 E58 Y109 F116	P33-M55 HydrophobicContact CB-CB 4.29Å; P33-M55 HydrophobicContact CB-CG 4.44Å; P33-M55 HydrophobicContact CG-CB 3.87Å; P33-M55 HydrophobicContact CG-CG 4.02Å; P33-E58 HydrophobicContact CB-CB 4.12Å; P33-E58 HydrophobicContact CB-CG 4.23Å; P33-E58 VanDerWaalsContact CB-OE2 3.31Å; P33-E58 WeakPolarHBondContact CB-OE2 3.34Å; P33-Y109 WeakPolarHBondContact CD-OH 3.39Å; P33-Y109 VanDerWaalsContact CG-OH 3.25Å; P33-Y109 WeakPolarHBondContact CG-OH 3.35Å; P33-F116 HydrophobicContact CG-CD1 4.39Å; P33-F116 HydrophobicContact CG-CE1 4.39Å
34	N	82.4	Confident	87.2	Confident	88 Å²	88	51 Å²	51	47%	0.471	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-76.3	136.5	174.7	-165.4	8.3	0	0	0	109.1	E58	N34-E58 VanDerWaalsContact CB-OE1 3.32Å; N34-E58 WeakPolarHBondContact CB-OE1 3.42Å; N34-E58 VanDerWaalsContact N-CD 3.27Å; N34-E58 PolarHBondContact N-OE1 2.73Å; N34-E58 PolarHBondContact N-OE2 3.38Å
35	S	71.2	Confident	87.5	Confident	17 Å²	17	47.2 Å²	47.2	12%	0.119	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64	155	165.3	58.7	0	0	0	0	109.5	T39 S40	S35-T39 WeakPolarHBondContact CB-O 3.46Å; S35-T39 PolarHBondContact OG-O 2.78Å; S35-T39 VanDerWaalsContact OG-O 3.06Å; S35-S40 VanDerWaalsContact OG-CA 3.31Å; S35-S40 WeakPolarHBondContact OG-CA 3.34Å
36	N	70.1	Confident	87.8	Confident	113 Å²	113	45.7 Å²	45.7	60%	0.604	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-48.8	148.2	179.7	-162.7	-8.8	0	0	0	111.7	L38 T39	N36-L38 PolarHBondContact O-N 3.35Å; N36-T39 CarbonylContact O-C 3.51Å; N36-T39 PolarHBondContact O-N 3.11Å
37	L	64.8	Low	87.8	Confident	163 Å²	163	49.8 Å²	49.8	85%	0.853	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-24.2	-173.7	-69.7	170	0	0	0	114.2
38	L	72.5	Confident	87.9	Confident	158 Å²	158	53.2 Å²	53.2	83%	0.827	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-20.8	-176.5	-60.1	176.1	0	0	0	113.7	N36	N36-L38 PolarHBondContact O-N 3.35Å
39	T	82.6	Confident	87.9	Confident	70 Å²	70	56.1 Å²	56.1	43%	0.429	32%	0.316	S	S	.	.			trans	-140.6	134.9	-169.2	63.1	0	0	0	0	110.3	S35 N36 L41	S35-T39 WeakPolarHBondContact CB-O 3.46Å; S35-T39 PolarHBondContact OG-O 2.78Å; S35-T39 VanDerWaalsContact OG-O 3.06Å; N36-T39 CarbonylContact O-C 3.51Å; N36-T39 PolarHBondContact O-N 3.11Å; T39-L41 PolarHBondContact O-N 3.03Å
40	S	88.2	Confident	87.8	Confident	41 Å²	41	60.6 Å²	60.6	29%	0.287	34%	0.343	S	S	.	.			trans	-77.6	11	170.3	63.4	0	0	0	0	114.1	S35 Q239	S35-S40 VanDerWaalsContact OG-CA 3.31Å; S35-S40 WeakPolarHBondContact OG-CA 3.34Å; S40-Q239 PolarHBondContact O-N 2.99Å; S40-Q239 PolarHBondContact OG-NE2 3.46Å
41	L	92.6	Very high	87.8	Confident	51 Å²	51	60.3 Å²	60.3	27%	0.267	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	-176.7	179.4	64.9	0	0	0	111.5	T39 H43 Q239 L241	T39-L41 PolarHBondContact O-N 3.03Å; L41-H43 HydrophobicContact CD2-CB 4.34Å; L41-H43 HydrophobicContact CG-CB 4.24Å; L41-Q239 HydrophobicContact CB-CB 4.39Å; L41-Q239 HydrophobicContact CD1-CB 3.72Å; L41-L241 HydrophobicContact CD1-CB 4.11Å
42	I	93	Very high	87.7	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	103.1	171.1	-55.9	-179.7	0	0	0	107	I31 F44 M55 F116 F238 Q239 I240 L241	I31-I42 HydrophobicContact CD1-CD1 4.15Å; I42-F44 HydrophobicContact CG2-CD1 4.49Å; I42-M55 HydrophobicContact CG2-CE 3.53Å; I42-M55 HydrophobicContact CG2-SD 3.61Å; I42-F116 HydrophobicContact CD1-CD1 3.91Å; I42-F116 HydrophobicContact CD1-CE1 3.29Å; I42-F116 HydrophobicContact CD1-CZ 3.89Å; I42-F116 HydrophobicContact CG1-CE1 4.44Å; I42-F116 HydrophobicContact CG2-CE1 3.94Å; I42-F116 HydrophobicContact CG2-CZ 4.09Å; I42-F238 HydrophobicContact CD1-CD2 4.27Å; I42-Q239 PolarHBondContact N-O 3.07Å; I42-I240 HydrophobicContact CB-CG2 4.4Å; I42-I240 WeakPolarHBondContact O-CA 3.36Å; I42-L241 PolarHBondContact O-N 3.26Å
43	H	93.5	Very high	87.7	Confident	73 Å²	73	62.6 Å²	62.6	34%	0.338	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.4	-177.7	175.8	-144	0	0	0	110.1	L41 H45 M55 L241 D243	L41-H43 HydrophobicContact CD2-CB 4.34Å; L41-H43 HydrophobicContact CG-CB 4.24Å; H43-H45 AromaticContact CE1-CE1 3.4Å; H43-H45 PolarHBondContact CE1-CE1 3.15Å; H43-H45 AromaticContact CE1-NE2 3.8Å; H43-H45 AromaticContact NE2-CE1 3.57Å; H43-H45 AromaticContact NE2-NE2 3.72Å; H43-M55 VanDerWaalsContact O-CE 3.3Å; H43-M55 WeakPolarHBondContact O-CE 3.44Å; H43-L241 WeakPolarHBondContact CA-O 3.4Å; H43-L241 HydrophobicContact CB-CB 4.38Å; H43-L241 VanDerWaalsContact CD2-CD2 3.47Å; H43-L241 WeakPolarHBondContact CD2-CD2 3.19Å; H43-L241 VanDerWaalsContact CD2-CG 3.5Å; H43-L241 WeakPolarHBondContact CD2-CG 3.46Å; H43-L241 PolarHBondContact CD2-O 2.78Å; H43-D243 IonicContact CD2-OD2 3.22Å; H43-D243 IonicContact CE1-OD2 2.63Å; H43-D243 IonicContact NE2-OD2 2.75Å; H43-D243 PolarHBondContact NE2-OD2 3.27Å
44	F	93.7	Very high	87.6	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156	174.1	65.9	-84.8	0	0	0	111.6	I42 T46 Y52 M55 Y109 P114 L241 V242 D243	I42-F44 HydrophobicContact CG2-CD1 4.49Å; F44-T46 HydrophobicContact CE2-CG2 4.09Å; F44-Y52 HydrophobicContact CD2-CD1 4.26Å; F44-M55 HydrophobicContact CB-CE 4.08Å; F44-M55 HydrophobicContact CB-SD 4.36Å; F44-M55 HydrophobicContact CD1-CE 4.42Å; F44-M55 HydrophobicContact CD1-SD 4.2Å; F44-Y109 AromaticContact CD1-CD1 3.89Å; F44-Y109 HydrophobicContact CD1-CD1 3.89Å; F44-Y109 HydrophobicContact CD1-CE1 4.02Å; F44-Y109 HydrophobicContact CD2-CD1 4.03Å; F44-Y109 AromaticContact CE1-CD1 3.76Å; F44-Y109 HydrophobicContact CE1-CD1 3.76Å; F44-Y109 AromaticContact CE1-CE1 3.89Å; F44-Y109 HydrophobicContact CE1-CE1 3.89Å; F44-Y109 AromaticContact CE2-CD1 3.9Å; F44-Y109 HydrophobicContact CE2-CD1 3.9Å; F44-Y109 WeakPolarHBondContact CE2-O 3.08Å; F44-Y109 HydrophobicContact CG-CD1 4.03Å; F44-Y109 AromaticContact CZ-CD1 3.76Å; F44-Y109 HydrophobicContact CZ-CD1 3.76Å; F44-Y109 HydrophobicContact CZ-CE1 4.31Å; F44-P114 HydrophobicContact CE1-CB 3.79Å; F44-P114 HydrophobicContact CE1-CG 3.97Å; F44-P114 HydrophobicContact CZ-CB 3.73Å; F44-P114 HydrophobicContact CZ-CG 3.84Å; F44-L241 PolarHBondContact N-O 3.29Å; F44-V242 HydrophobicContact CE1-CG2 3.78Å; F44-V242 HydrophobicContact CE2-CG1 3.87Å; F44-V242 HydrophobicContact CE2-CG2 4.42Å; F44-V242 HydrophobicContact CZ-CB 4.22Å; F44-V242 HydrophobicContact CZ-CG1 3.84Å; F44-V242 HydrophobicContact CZ-CG2 3.58Å; F44-D243 PolarHBondContact O-N 3.34Å
45	H	94.6	Very high	88.1	Confident	68 Å²	68	62.8 Å²	62.8	32%	0.315	36%	0.362	S	S	.	.			trans	-109.1	120.4	177.5	-55.7	83.3	0	0	0	108.7	H43 S47 N48 S51 D243	H43-H45 AromaticContact CE1-CE1 3.4Å; H43-H45 PolarHBondContact CE1-CE1 3.15Å; H43-H45 AromaticContact CE1-NE2 3.8Å; H43-H45 AromaticContact NE2-CE1 3.57Å; H43-H45 AromaticContact NE2-NE2 3.72Å; H45-S47 PolarHBondContact O-N 3.21Å; H45-N48 HydrophobicContact CB-CB 4.2Å; H45-N48 PolarHBondContact O-N 3.25Å; H45-N48 VanDerWaalsContact O-N 3.12Å; H45-S51 PolarHBondContact N-OG 3.48Å; H45-S51 PolarHBondContact O-OG 2.75Å; H45-D243 CarbonylContact C-O 3.52Å; H45-D243 WeakPolarHBondContact CA-O 3.43Å; H45-D243 HydrophobicContact CB-CB 4.41Å; H45-D243 VanDerWaalsContact CD2-CB 3.44Å; H45-D243 WeakPolarHBondContact CD2-CB 3.49Å; H45-D243 IonicContact CD2-OD2 2.78Å; H45-D243 IonicContact NE2-OD2 3.7Å; H45-D243 PolarHBondContact NE2-OD2 3.21Å
46	T	93.8	Very high	89.2	Confident	19 Å²	19	63.4 Å²	63.4	12%	0.117	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.9	178	53.6	0	0	0	0	112.3	F44 R210 V242 D243	F44-T46 HydrophobicContact CE2-CG2 4.09Å; T46-R210 PolarHBondContact OG1-NH1 2.97Å; T46-V242 HydrophobicContact CG2-CG1 3.87Å; T46-D243 WeakPolarHBondContact CB-O 3.32Å; T46-D243 WeakPolarHBondContact CG2-O 3.43Å; T46-D243 PolarHBondContact N-O 3.1Å; T46-D243 PolarHBondContact OG1-O 3.11Å
47	S	93.9	Very high	90.4	Very high	103 Å²	103	63.2 Å²	63.2	72%	0.72	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-20	178.7	60	0	0	0	0	114.8	H45	H45-S47 PolarHBondContact O-N 3.21Å
48	N	94.7	Very high	91.8	Very high	73 Å²	73	59.3 Å²	59.3	39%	0.39	34%	0.34	S	S	.	.			trans	-118.7	101.3	-176.8	-177.4	2	0	0	0	110.8	H45 V50 S51	H45-N48 HydrophobicContact CB-CB 4.2Å; H45-N48 PolarHBondContact O-N 3.25Å; H45-N48 VanDerWaalsContact O-N 3.12Å; N48-V50 PolarHBondContact O-N 3.01Å; N48-V50 VanDerWaalsContact O-N 3.1Å; N48-V50 WeakPolarHBondContact OD1-CB 3.45Å; N48-V50 PolarHBondContact OD1-N 2.94Å; N48-V50 VanDerWaalsContact OD1-N 3.13Å; N48-S51 WeakPolarHBondContact O-CB 3.46Å; N48-S51 PolarHBondContact O-N 3.31Å; N48-S51 PolarHBondContact O-OG 3.32Å
49	P	93.8	Very high	92.8	Very high	74 Å²	74	51.8 Å²	51.8	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-55.7	-28.8	179.7	-26.5	34.8	0	0	0	115.2	S51 Y52 S53	P49-S51 PolarHBondContact O-N 2.95Å; P49-Y52 VanDerWaalsContact CA-CZ 3.47Å; P49-Y52 HydrophobicContact CB-CE2 4.4Å; P49-Y52 PolarHBondContact O-N 3.34Å; P49-S53 PolarHBondContact O-N 3.06Å; P49-S53 VanDerWaalsContact O-N 3.12Å
50	V	93.4	Very high	93.4	Very high	107 Å²	107	50.4 Å²	50.4	65%	0.648	29%	0.293	S	S	*	.	H	α-helix	trans	-62.8	-32.8	178	-176.6	0	0	0	0	110.8	N48 Y52 S53	N48-V50 PolarHBondContact O-N 3.01Å; N48-V50 VanDerWaalsContact O-N 3.1Å; N48-V50 WeakPolarHBondContact OD1-CB 3.45Å; N48-V50 PolarHBondContact OD1-N 2.94Å; N48-V50 VanDerWaalsContact OD1-N 3.13Å; V50-Y52 VanDerWaalsContact C-N 3.34Å; V50-Y52 PolarHBondContact O-N 3.09Å; V50-S53 PolarHBondContact O-N 2.66Å; V50-S53 PolarHBondContact O-OG 3.48Å
51	S	92.2	Very high	93.7	Very high	27 Å²	27	50.6 Å²	50.6	19%	0.189	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-32.9	-174.8	72.3	0	0	0	0	114.1	H45 N48 P49	H45-S51 PolarHBondContact N-OG 3.48Å; H45-S51 PolarHBondContact O-OG 2.75Å; N48-S51 WeakPolarHBondContact O-CB 3.46Å; N48-S51 PolarHBondContact O-N 3.31Å; N48-S51 PolarHBondContact O-OG 3.32Å; P49-S51 PolarHBondContact O-N 2.95Å
52	Y	93.2	Very high	93.8	Very high	17 Å²	17	50.5 Å²	50.5	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-108.8	0.1	178.9	55.9	-103.6	0	0	0	113.2	F44 P49 V50 S54 M55 I56 Y109	F44-Y52 HydrophobicContact CD2-CD1 4.26Å; P49-Y52 VanDerWaalsContact CA-CZ 3.47Å; P49-Y52 HydrophobicContact CB-CE2 4.4Å; P49-Y52 PolarHBondContact O-N 3.34Å; V50-Y52 VanDerWaalsContact C-N 3.34Å; V50-Y52 PolarHBondContact O-N 3.09Å; Y52-S54 VanDerWaalsContact C-N 3.34Å; Y52-S54 PolarHBondContact O-N 3.4Å; Y52-M55 WeakPolarHBondContact O-CB 3.48Å; Y52-M55 PolarHBondContact O-N 2.79Å; Y52-M55 VanDerWaalsContact O-N 3.11Å; Y52-I56 HydrophobicContact CD2-CD1 3.54Å; Y52-I56 HydrophobicContact CD2-CG1 4.19Å; Y52-I56 HydrophobicContact CE2-CD1 3.78Å; Y52-I56 PolarHBondContact O-N 2.91Å; Y52-I56 VanDerWaalsContact O-N 3.07Å; Y52-Y109 HydrophobicContact CD2-CG 4.49Å; Y52-Y109 HydrophobicContact CG-CG 4.3Å
53	S	93.7	Very high	93.9	Very high	47 Å²	47	50.8 Å²	50.8	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-56.4	-45.4	178.9	61.3	0	0	0	0	112.5	P49 V50 M55 I56 D57	P49-S53 PolarHBondContact O-N 3.06Å; P49-S53 VanDerWaalsContact O-N 3.12Å; V50-S53 PolarHBondContact O-N 2.66Å; V50-S53 PolarHBondContact O-OG 3.48Å; S53-M55 VanDerWaalsContact C-N 3.26Å; S53-M55 PolarHBondContact O-N 3.37Å; S53-I56 PolarHBondContact O-N 2.7Å; S53-D57 PolarHBondContact O-N 2.88Å
54	S	91.4	Very high	93.9	Very high	71 Å²	71	49.3 Å²	49.3	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-35	176.7	57.7	0	0	0	0	113.1	Y52 E58	Y52-S54 VanDerWaalsContact C-N 3.34Å; Y52-S54 PolarHBondContact O-N 3.4Å; S54-E58 WeakPolarHBondContact O-CB 3.27Å; S54-E58 PolarHBondContact O-N 3.47Å
55	M	93.1	Very high	93.8	Very high	22 Å²	22	52.5 Å²	52.5	11%	0.108	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-42.9	177.9	-65.3	179.3	-164.1	0	0	111.5	P33 I42 H43 F44 Y52 S53 D57 M59 Y109	P33-M55 HydrophobicContact CB-CB 4.29Å; P33-M55 HydrophobicContact CB-CG 4.44Å; P33-M55 HydrophobicContact CG-CB 3.87Å; P33-M55 HydrophobicContact CG-CG 4.02Å; I42-M55 HydrophobicContact CG2-CE 3.53Å; I42-M55 HydrophobicContact CG2-SD 3.61Å; H43-M55 VanDerWaalsContact O-CE 3.3Å; H43-M55 WeakPolarHBondContact O-CE 3.44Å; F44-M55 HydrophobicContact CB-CE 4.08Å; F44-M55 HydrophobicContact CB-SD 4.36Å; F44-M55 HydrophobicContact CD1-CE 4.42Å; F44-M55 HydrophobicContact CD1-SD 4.2Å; Y52-M55 WeakPolarHBondContact O-CB 3.48Å; Y52-M55 PolarHBondContact O-N 2.79Å; Y52-M55 VanDerWaalsContact O-N 3.11Å; S53-M55 VanDerWaalsContact C-N 3.26Å; S53-M55 PolarHBondContact O-N 3.37Å; M55-D57 VanDerWaalsContact C-N 3.35Å; M55-M59 WeakPolarHBondContact O-CB 3.25Å; M55-M59 PolarHBondContact O-N 3.48Å; M55-Y109 HydrophobicContact CB-CE1 4.22Å; M55-Y109 HydrophobicContact CB-CE2 3.97Å; M55-Y109 HydrophobicContact CG-CE1 4.48Å; M55-Y109 HydrophobicContact SD-CD1 4.08Å; M55-Y109 HydrophobicContact SD-CE1 3.42Å; M55-Y109 WeakPolarHBondContact SD-CE1 3.23Å
56	I	95.1	Very high	93.7	Very high	29 Å²	29	49.4 Å²	49.4	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-43.7	174.7	-65.7	-179.4	0	0	0	110.2	Y52 S53 M59 T60 L103 Y107 Y109	Y52-I56 HydrophobicContact CD2-CD1 3.54Å; Y52-I56 HydrophobicContact CD2-CG1 4.19Å; Y52-I56 HydrophobicContact CE2-CD1 3.78Å; Y52-I56 PolarHBondContact O-N 2.91Å; Y52-I56 VanDerWaalsContact O-N 3.07Å; S53-I56 PolarHBondContact O-N 2.7Å; I56-M59 PolarHBondContact O-N 3.01Å; I56-T60 VanDerWaalsContact O-CB 3.27Å; I56-T60 WeakPolarHBondContact O-CB 3.4Å; I56-T60 PolarHBondContact O-N 3.2Å; I56-T60 PolarHBondContact O-OG1 3.21Å; I56-L103 HydrophobicContact CG2-CD1 3.88Å; I56-Y107 HydrophobicContact CB-CD2 4.46Å; I56-Y107 HydrophobicContact CG1-CD2 4.25Å; I56-Y107 HydrophobicContact CG2-CD2 4.27Å; I56-Y107 HydrophobicContact CG2-CE2 4.07Å; I56-Y109 HydrophobicContact CG1-CD2 3.95Å
57	D	94.3	Very high	93.5	Very high	110 Å²	110	53.1 Å²	53.1	59%	0.588	31%	0.312	S	S	*	.	H	α-helix	trans	-65.2	-44.1	180	-72.2	-16.5	0	0	0	111.7	S53 M55 T60 G61	S53-D57 PolarHBondContact O-N 2.88Å; M55-D57 VanDerWaalsContact C-N 3.35Å; D57-T60 PolarHBondContact O-N 2.89Å; D57-G61 PolarHBondContact O-N 3.48Å
58	E	93.6	Very high	93	Very high	80 Å²	80	56 Å²	56	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-45.6	177	-174.5	-178.5	168.5	0	0	111.5	P33 N34 S54 T60 G61 F62	P33-E58 HydrophobicContact CB-CB 4.12Å; P33-E58 HydrophobicContact CB-CG 4.23Å; P33-E58 VanDerWaalsContact CB-OE2 3.31Å; P33-E58 WeakPolarHBondContact CB-OE2 3.34Å; N34-E58 VanDerWaalsContact CB-OE1 3.32Å; N34-E58 WeakPolarHBondContact CB-OE1 3.42Å; N34-E58 VanDerWaalsContact N-CD 3.27Å; N34-E58 PolarHBondContact N-OE1 2.73Å; N34-E58 PolarHBondContact N-OE2 3.38Å; S54-E58 WeakPolarHBondContact O-CB 3.27Å; S54-E58 PolarHBondContact O-N 3.47Å; E58-T60 VanDerWaalsContact C-N 3.34Å; E58-T60 PolarHBondContact O-N 3.18Å; E58-G61 PolarHBondContact O-N 2.96Å; E58-F62 WeakPolarHBondContact O-CB 3.33Å; E58-F62 PolarHBondContact O-N 2.8Å
59	M	95.1	Very high	92.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-46.8	176.2	-173.5	72	84.6	0	0	110.9	I32 M55 I56 F62 L63 Y107 C115 A117	I32-M59 HydrophobicContact CB-SD 4.35Å; I32-M59 HydrophobicContact CG2-SD 3.75Å; I32-M59 WeakPolarHBondContact O-CE 3.42Å; M55-M59 WeakPolarHBondContact O-CB 3.25Å; M55-M59 PolarHBondContact O-N 3.48Å; I56-M59 PolarHBondContact O-N 3.01Å; M59-F62 PolarHBondContact O-N 3.27Å; M59-L63 HydrophobicContact CG-CD1 3.92Å; M59-L63 HydrophobicContact CG-CG 4.39Å; M59-L63 WeakPolarHBondContact O-CB 3.18Å; M59-L63 VanDerWaalsContact O-CG 3.26Å; M59-L63 WeakPolarHBondContact O-CG 3.37Å; M59-L63 PolarHBondContact O-N 2.64Å; M59-L63 HydrophobicContact SD-CD1 4.24Å; M59-L63 HydrophobicContact SD-CG 4.44Å; M59-Y107 HydrophobicContact CB-CD2 4.07Å; M59-Y107 HydrophobicContact CB-CE1 4.45Å; M59-Y107 HydrophobicContact CB-CE2 3.75Å; M59-Y107 HydrophobicContact CG-CD1 3.76Å; M59-Y107 HydrophobicContact CG-CD2 3.94Å; M59-Y107 HydrophobicContact CG-CE1 3.45Å; M59-Y107 VanDerWaalsContact CG-CE1 3.45Å; M59-Y107 HydrophobicContact CG-CE2 3.64Å; M59-Y107 HydrophobicContact CG-CG 3.99Å; M59-C115 WeakPolarHBondContact CE-O 3.48Å; M59-A117 HydrophobicContact CE-CB 4.3Å; M59-A117 HydrophobicContact SD-CB 3.91Å
60	T	94.9	Very high	91.4	Very high	42 Å²	42	57.1 Å²	57.1	26%	0.258	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-42.6	-179.9	-56.3	0	0	0	0	111.5	I56 D57 E58 F62 L63 S64 L103 Y107	I56-T60 VanDerWaalsContact O-CB 3.27Å; I56-T60 WeakPolarHBondContact O-CB 3.4Å; I56-T60 PolarHBondContact O-N 3.2Å; I56-T60 PolarHBondContact O-OG1 3.21Å; D57-T60 PolarHBondContact O-N 2.89Å; E58-T60 VanDerWaalsContact C-N 3.34Å; E58-T60 PolarHBondContact O-N 3.18Å; T60-F62 VanDerWaalsContact C-N 3.35Å; T60-F62 PolarHBondContact O-N 3.33Å; T60-L63 PolarHBondContact O-N 2.92Å; T60-S64 WeakPolarHBondContact O-CB 3.31Å; T60-S64 PolarHBondContact O-N 3.23Å; T60-L103 HydrophobicContact CG2-CD2 4.12Å; T60-L103 WeakPolarHBondContact OG1-CD1 3.31Å; T60-Y107 PolarHBondContact OG1-OH 3.3Å
61	G	94.7	Very high	90.1	Very high	45 Å²	45	55.8 Å²	55.8	46%	0.464	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-45	174.2	0	0	0	0	0	111.8	D57 E58 S64	D57-G61 PolarHBondContact O-N 3.48Å; E58-G61 PolarHBondContact O-N 2.96Å; G61-S64 WeakPolarHBondContact O-CB 3.3Å; G61-S64 PolarHBondContact O-N 2.94Å; G61-S64 PolarHBondContact O-OG 3.09Å
62	F	94.4	Very high	88.7	Confident	48 Å²	48	57.9 Å²	57.9	21%	0.211	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-46.9	176.4	177	-104.2	0	0	0	112.6	I32 E58 M59 T60 S64 Y65 Y66 K119 L200	I32-F62 HydrophobicContact CB-CD1 4.31Å; I32-F62 HydrophobicContact CD1-CD1 4.45Å; I32-F62 HydrophobicContact CD1-CE1 3.99Å; I32-F62 HydrophobicContact CD1-CE2 4.29Å; I32-F62 HydrophobicContact CD1-CZ 3.89Å; I32-F62 HydrophobicContact CG1-CD1 4.06Å; I32-F62 HydrophobicContact CG1-CD2 4.22Å; I32-F62 HydrophobicContact CG1-CE1 4.1Å; I32-F62 HydrophobicContact CG1-CE2 4.27Å; I32-F62 HydrophobicContact CG1-CG 4.11Å; I32-F62 HydrophobicContact CG1-CZ 4.2Å; I32-F62 HydrophobicContact CG2-CB 3.91Å; I32-F62 HydrophobicContact CG2-CD1 3.92Å; I32-F62 HydrophobicContact CG2-CG 3.94Å; E58-F62 WeakPolarHBondContact O-CB 3.33Å; E58-F62 PolarHBondContact O-N 2.8Å; M59-F62 PolarHBondContact O-N 3.27Å; T60-F62 VanDerWaalsContact C-N 3.35Å; T60-F62 PolarHBondContact O-N 3.33Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 3.28Å; F62-Y65 PolarHBondContact O-N 3.37Å; F62-Y66 HydrophobicContact CD1-CE2 4.4Å; F62-Y66 AromaticContact CE1-CE2 3.77Å; F62-Y66 HydrophobicContact CE1-CE2 3.77Å; F62-Y66 HydrophobicContact CE2-CE2 4.25Å; F62-Y66 AromaticContact CZ-CE2 3.69Å; F62-Y66 HydrophobicContact CZ-CE2 3.69Å; F62-K119 HydrophobicContact CE2-CD 4.44Å; F62-K119 HydrophobicContact CZ-CD 4.14Å; F62-L200 HydrophobicContact CE1-CD1 3.85Å; F62-L200 HydrophobicContact CE1-CD2 3.82Å; F62-L200 HydrophobicContact CZ-CD2 3.93Å
63	L	94.8	Very high	87.4	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-72.1	-21.2	-178.3	-63.8	179.3	0	0	0	113	M59 T60 Y65 Y66 Q67 L95 Y107 L200 F202	M59-L63 HydrophobicContact CG-CD1 3.92Å; M59-L63 HydrophobicContact CG-CG 4.39Å; M59-L63 WeakPolarHBondContact O-CB 3.18Å; M59-L63 VanDerWaalsContact O-CG 3.26Å; M59-L63 WeakPolarHBondContact O-CG 3.37Å; M59-L63 PolarHBondContact O-N 2.64Å; M59-L63 HydrophobicContact SD-CD1 4.24Å; M59-L63 HydrophobicContact SD-CG 4.44Å; T60-L63 PolarHBondContact O-N 2.92Å; L63-Y65 PolarHBondContact O-N 2.91Å; L63-Y66 WeakPolarHBondContact O-CA 3.45Å; L63-Y66 WeakPolarHBondContact O-CB 3.36Å; L63-Y66 PolarHBondContact O-N 2.99Å; L63-Q67 PolarHBondContact O-N 3.21Å; L63-Q67 VanDerWaalsContact O-N 3.1Å; L63-L95 HydrophobicContact CB-CD1 4.42Å; L63-L95 HydrophobicContact CD2-CD2 3.86Å; L63-Y107 HydrophobicContact CD1-CE1 3.8Å; L63-L200 HydrophobicContact CD2-CD1 3.73Å; L63-F202 HydrophobicContact CD1-CE1 4.12Å; L63-F202 HydrophobicContact CD1-CZ 4.26Å; L63-F202 HydrophobicContact CD2-CE1 4.3Å; L63-F202 HydrophobicContact CD2-CZ 3.88Å
64	S	93.7	Very high	86.7	Confident	42 Å²	42	61.2 Å²	61.2	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-57.1	-32.2	175	78.4	0	0	0	0	112.9	T60 G61 F62 Y66 Q67 Y68	T60-S64 WeakPolarHBondContact O-CB 3.31Å; T60-S64 PolarHBondContact O-N 3.23Å; G61-S64 WeakPolarHBondContact O-CB 3.3Å; G61-S64 PolarHBondContact O-N 2.94Å; G61-S64 PolarHBondContact O-OG 3.09Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 3.28Å; S64-Y66 VanDerWaalsContact C-N 3.32Å; S64-Y66 PolarHBondContact O-N 3.09Å; S64-Q67 PolarHBondContact O-N 2.93Å; S64-Y68 WeakPolarHBondContact O-CD2 3.3Å; S64-Y68 PolarHBondContact O-N 3.33Å
65	Y	92	Very high	86.3	Confident	67 Å²	67	59.3 Å²	59.3	26%	0.263	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.1	176.9	-99.9	0	0	0	111.4	F62 L63 Q67 H69 G195 Y196 Q197	F62-Y65 PolarHBondContact O-N 3.37Å; L63-Y65 PolarHBondContact O-N 2.91Å; Y65-Q67 VanDerWaalsContact C-N 3.34Å; Y65-H69 HydrophobicContact CD2-CB 3.83Å; Y65-H69 AromaticContact CD2-CD2 3.8Å; Y65-H69 AromaticContact CD2-CG 3.51Å; Y65-H69 AromaticContact CD2-ND1 3.72Å; Y65-H69 HydrophobicContact CE2-CB 3.87Å; Y65-H69 AromaticContact CE2-CD2 3.91Å; Y65-H69 AromaticContact CE2-CG 3.84Å; Y65-H69 HydrophobicContact CG-CB 4.49Å; Y65-H69 VanDerWaalsContact O-CB 3.28Å; Y65-H69 WeakPolarHBondContact O-CB 3.5Å; Y65-H69 PolarHBondContact O-N 3.1Å; Y65-G195 WeakPolarHBondContact OH-CA 3.36Å; Y65-Y196 PolarHBondContact OH-O 3.23Å; Y65-Q197 HydrophobicContact CD1-CG 4.44Å; Y65-Q197 HydrophobicContact CE1-CG 3.9Å
66	Y	92.2	Very high	85.7	Confident	3 Å²	3	59.2 Å²	59.2	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-71.7	-31.1	179.6	-68.3	-97.1	0	0	0	112.4	F62 L63 S64 F93 L95 Q197 S198 L200	F62-Y66 HydrophobicContact CD1-CE2 4.4Å; F62-Y66 AromaticContact CE1-CE2 3.77Å; F62-Y66 HydrophobicContact CE1-CE2 3.77Å; F62-Y66 HydrophobicContact CE2-CE2 4.25Å; F62-Y66 AromaticContact CZ-CE2 3.69Å; F62-Y66 HydrophobicContact CZ-CE2 3.69Å; L63-Y66 WeakPolarHBondContact O-CA 3.45Å; L63-Y66 WeakPolarHBondContact O-CB 3.36Å; L63-Y66 PolarHBondContact O-N 2.99Å; S64-Y66 VanDerWaalsContact C-N 3.32Å; S64-Y66 PolarHBondContact O-N 3.09Å; Y66-F93 HydrophobicContact CD1-CB 3.98Å; Y66-F93 HydrophobicContact CD1-CD1 4.37Å; Y66-F93 HydrophobicContact CD1-CG 4.46Å; Y66-F93 HydrophobicContact CE1-CB 4.25Å; Y66-L95 HydrophobicContact CG-CD2 4.32Å; Y66-Q197 HydrophobicContact CD1-CB 3.89Å; Y66-Q197 HydrophobicContact CD1-CG 3.82Å; Y66-Q197 HydrophobicContact CE1-CB 3.62Å; Y66-Q197 HydrophobicContact CE1-CG 3.96Å; Y66-Q197 PolarHBondContact O-NE2 3.28Å; Y66-S198 VanDerWaalsContact CE1-O 3.31Å; Y66-S198 WeakPolarHBondContact CE1-O 3.39Å; Y66-S198 PolarHBondContact OH-N 3.17Å; Y66-S198 PolarHBondContact OH-O 2.86Å; Y66-L200 HydrophobicContact CD1-CD1 4.43Å; Y66-L200 HydrophobicContact CD2-CD1 4.34Å; Y66-L200 HydrophobicContact CE1-CD1 4.09Å; Y66-L200 HydrophobicContact CE1-CG 4.21Å; Y66-L200 HydrophobicContact CE2-CD1 4.02Å
67	Q	88.9	Confident	84.8	Confident	97 Å²	97	61.9 Å²	61.9	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-79.6	-48.1	-179.6	-172.3	174.8	-4.4	0	0	113.3	L63 S64 Y65 I70 L95	L63-Q67 PolarHBondContact O-N 3.21Å; L63-Q67 VanDerWaalsContact O-N 3.1Å; S64-Q67 PolarHBondContact O-N 2.93Å; Y65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-I70 VanDerWaalsContact O-CD1 3.29Å; Q67-I70 WeakPolarHBondContact O-CD1 3.47Å; Q67-L95 HydrophobicContact CB-CD1 3.97Å
68	Y	84.2	Confident	84	Confident	162 Å²	162	57.1 Å²	57.1	64%	0.635	33%	0.33	S	S	*	.	H	α-helix	trans	-105.2	-23	-166.5	-59.6	-66.5	0	0	0	114.6	S64 I70	S64-Y68 WeakPolarHBondContact O-CD2 3.3Å; S64-Y68 PolarHBondContact O-N 3.33Å; Y68-I70 PolarHBondContact O-N 3.4Å
69	H	79.2	Confident	83	Confident	98 Å²	98	59.7 Å²	59.7	45%	0.454	34%	0.342	S	S	.	.			trans	-83	58.2	-179.2	-67.3	65.4	0	0	0	111.5	Y65	Y65-H69 HydrophobicContact CD2-CB 3.83Å; Y65-H69 AromaticContact CD2-CD2 3.8Å; Y65-H69 AromaticContact CD2-CG 3.51Å; Y65-H69 AromaticContact CD2-ND1 3.72Å; Y65-H69 HydrophobicContact CE2-CB 3.87Å; Y65-H69 AromaticContact CE2-CD2 3.91Å; Y65-H69 AromaticContact CE2-CG 3.84Å; Y65-H69 HydrophobicContact CG-CB 4.49Å; Y65-H69 VanDerWaalsContact O-CB 3.28Å; Y65-H69 WeakPolarHBondContact O-CB 3.5Å; Y65-H69 PolarHBondContact O-N 3.1Å
70	I	75.7	Confident	81.6	Confident	73 Å²	73	65.1 Å²	65.1	37%	0.374	37%	0.371	S	S	.	.			trans	-97.6	88.3	174.8	-52.7	163	0	0	0	107.5	Q67 Y68 G72 F75 R92	Q67-I70 VanDerWaalsContact O-CD1 3.29Å; Q67-I70 WeakPolarHBondContact O-CD1 3.47Å; Y68-I70 PolarHBondContact O-N 3.4Å; I70-G72 PolarHBondContact O-N 2.94Å; I70-G72 VanDerWaalsContact O-N 3.17Å; I70-F75 HydrophobicContact CG2-CD2 4.42Å; I70-F75 HydrophobicContact CG2-CE2 4.43Å; I70-R92 VanDerWaalsContact CD1-CZ 3.4Å
71	I	66.7	Low	80	Confident	79 Å²	79	67.6 Å²	67.6	41%	0.405	38%	0.383	S	S	.	.			trans	-76.8	105.5	172.6	-50.7	172.6	0	0	0	107.3	G73 M74	I71-G73 PolarHBondContact O-N 2.01Å; I71-M74 HydrophobicContact CB-CB 4.34Å; I71-M74 HydrophobicContact CB-CG 4.04Å; I71-M74 HydrophobicContact CB-SD 3.71Å; I71-M74 HydrophobicContact CD1-SD 3.77Å; I71-M74 HydrophobicContact CG1-SD 4.34Å; I71-M74 HydrophobicContact CG2-CE 3.65Å; I71-M74 HydrophobicContact CG2-CG 3.83Å; I71-M74 HydrophobicContact CG2-SD 3.49Å; I71-M74 WeakPolarHBondContact CG2-SD 3.29Å; I71-M74 PolarHBondContact O-N 3.19Å; I71-M74 VanDerWaalsContact O-N 3.1Å
72	G	61.1	Low	78.6	Confident	72 Å²	72	69.9 Å²	69.9	74%	0.742	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	125.6	-177.2	0	0	0	0	0	112.1	I70	I70-G72 PolarHBondContact O-N 2.94Å; I70-G72 VanDerWaalsContact O-N 3.17Å
73	G	67.3	Low	76.9	Confident	56 Å²	56	77.3 Å²	77.3	58%	0.577	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-6.6	178.9	0	0	0	0	0	116.5	I71	I71-G73 PolarHBondContact O-N 2.01Å
74	M	79.4	Confident	75.3	Confident	78 Å²	78	83.4 Å²	83.4	38%	0.384	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-23.6	178.3	-66.8	-167	176.3	0	0	114	I71 R89 P90 A194	I71-M74 HydrophobicContact CB-CB 4.34Å; I71-M74 HydrophobicContact CB-CG 4.04Å; I71-M74 HydrophobicContact CB-SD 3.71Å; I71-M74 HydrophobicContact CD1-SD 3.77Å; I71-M74 HydrophobicContact CG1-SD 4.34Å; I71-M74 HydrophobicContact CG2-CE 3.65Å; I71-M74 HydrophobicContact CG2-CG 3.83Å; I71-M74 HydrophobicContact CG2-SD 3.49Å; I71-M74 WeakPolarHBondContact CG2-SD 3.29Å; I71-M74 PolarHBondContact O-N 3.19Å; I71-M74 VanDerWaalsContact O-N 3.1Å; M74-R89 WeakPolarHBondContact O-CA 3.22Å; M74-R89 VanDerWaalsContact O-CB 3.26Å; M74-R89 WeakPolarHBondContact O-CB 3.44Å; M74-R89 WeakPolarHBondContact O-CG 3.5Å; M74-P90 WeakPolarHBondContact O-CD 3.43Å; M74-A194 HydrophobicContact SD-CB 3.98Å
75	F	82.8	Confident	74.2	Confident	30 Å²	30	84.2 Å²	84.2	13%	0.132	45%	0.454	C	S	.	.	S	Bend	trans	-86.3	145.6	180	-66.2	-84	0	0	0	112.1	I70 P90 R92 G195 Q197	I70-F75 HydrophobicContact CG2-CD2 4.42Å; I70-F75 HydrophobicContact CG2-CE2 4.43Å; F75-P90 VanDerWaalsContact CA-O 3.3Å; F75-P90 WeakPolarHBondContact CA-O 3.45Å; F75-P90 HydrophobicContact CD1-CG 4.18Å; F75-P90 WeakPolarHBondContact CD1-O 3.26Å; F75-P90 HydrophobicContact CE1-CG 4.21Å; F75-R92 HydrophobicContact CB-CB 4.28Å; F75-R92 HydrophobicContact CD1-CB 3.73Å; F75-R92 HydrophobicContact CE1-CB 4.27Å; F75-R92 HydrophobicContact CG-CB 4.03Å; F75-G195 WeakPolarHBondContact CE1-O 2.96Å; F75-G195 WeakPolarHBondContact CZ-O 3.49Å; F75-Q197 HydrophobicContact CE1-CG 4.27Å
76	A	79.6	Confident	73.4	Confident	21 Å²	21	84.5 Å²	84.5	17%	0.174	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-87	147.7	170.3	0	0	0	0	0	111.2	C78 R89 P90	A76-C78 VanDerWaalsContact C-N 3.33Å; A76-C78 PolarHBondContact O-N 3.07Å; A76-R89 HydrophobicContact CB-CB 3.91Å; A76-P90 PolarHBondContact N-O 2.91Å
77	S	75.7	Confident	72.8	Confident	85 Å²	85	90.3 Å²	90.3	59%	0.594	49%	0.489	S	S	*	.			trans	-76.6	83.6	167.5	-64.8	0	0	0	0	109.7	D80	S77-D80 WeakPolarHBondContact CB-OD2 3.24Å
78	C	78.5	Confident	72.4	Confident	10 Å²	10	95.9 Å²	95.9	7%	0.068	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-26.9	-173	-60.4	0	0	0	0	113.9	A76 L85 C91 M186	A76-C78 VanDerWaalsContact C-N 3.33Å; A76-C78 PolarHBondContact O-N 3.07Å; C78-L85 HydrophobicContact CB-CD2 3.87Å; C78-L85 WeakPolarHBondContact SG-CD2 3.46Å; C78-C91 HydrophobicContact CB-CB 3.78Å; C78-C91 WeakPolarHBondContact CB-SG 3Å; C78-C91 WeakPolarHBondContact SG-CA 3.39Å; C78-C91 WeakPolarHBondContact SG-CB 3.41Å; C78-C91 CovalentContact SG-SG 2.01Å; C78-C91 PolarHBondContact SG-SG 3.21Å; C78-M186 HydrophobicContact CB-CG 4.35Å; C78-M186 HydrophobicContact CB-SD 3.61Å
79	E	71.9	Confident	72.5	Confident	134 Å²	134	94.1 Å²	94.1	63%	0.626	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-36.9	-179.9	-64.4	177	-173.8	0	0	111.9
80	D	65.4	Low	73	Confident	114 Å²	114	89.7 Å²	89.7	61%	0.61	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-35.6	-172.4	-62.2	-41.2	0	0	0	113.1	S77	S77-D80 WeakPolarHBondContact CB-OD2 3.24Å
81	N	62.1	Low	73.6	Confident	94 Å²	94	86.5 Å²	86.5	50%	0.503	46%	0.462	S	S	.	.			trans	-148.4	80.5	-172.3	-78.4	-56.8	0	0	0	112.6	K83 L84	N81-K83 PolarHBondContact O-N 3.47Å; N81-L84 HydrophobicContact CB-CB 4.26Å; N81-L84 HydrophobicContact CB-CD1 4.47Å; N81-L84 PolarHBondContact O-N 3.44Å
82	P	64.1	Low	74.7	Confident	92 Å²	92	88.5 Å²	88.5	60%	0.597	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-60.7	-17.6	179.5	21.9	-32.5	0	0	0	113.8	L85	P82-L85 WeakPolarHBondContact O-CD1 3.46Å
83	K	60.6	Low	76.2	Confident	205 Å²	205	85.1 Å²	85.1	89%	0.891	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-82.3	-14.3	178.4	-64.5	-176.2	-179.5	179.1	0	114.3	N81	N81-K83 PolarHBondContact O-N 3.47Å
84	L	60.7	Low	77.2	Confident	139 Å²	139	85 Å²	85	73%	0.728	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-116.4	32.2	-175.2	-88.8	130	0	0	0	112.1	N81 D86	N81-L84 HydrophobicContact CB-CB 4.26Å; N81-L84 HydrophobicContact CB-CD1 4.47Å; N81-L84 PolarHBondContact O-N 3.44Å; L84-D86 PolarHBondContact O-N 3.41Å
85	L	70.4	Confident	77.8	Confident	60 Å²	60	82.8 Å²	82.8	31%	0.314	41%	0.405	S	S	.	.			trans	-65.2	106.6	177.2	-69.6	168.5	0	0	0	110.1	C78 P82 M87 M186	C78-L85 HydrophobicContact CB-CD2 3.87Å; C78-L85 WeakPolarHBondContact SG-CD2 3.46Å; P82-L85 WeakPolarHBondContact O-CD1 3.46Å; L85-M87 PolarHBondContact O-N 2.9Å; L85-M186 HydrophobicContact CD1-CB 4.19Å
86	D	75.4	Confident	78.1	Confident	72 Å²	72	85.5 Å²	85.5	39%	0.385	42%	0.421	S	S	.	.			trans	-69.1	108.6	167.4	179.3	0.9	0	0	0	108.4	L84 R88 R89	L84-D86 PolarHBondContact O-N 3.41Å; D86-R88 PolarHBondContact O-N 2.89Å; D86-R88 WeakPolarHBondContact OD1-CB 3.28Å; D86-R88 PolarHBondContact OD1-N 3.3Å; D86-R89 HydrophobicContact CB-CB 4.32Å; D86-R89 PolarHBondContact O-N 2.88Å; D86-R89 IonicContact OD2-NE 3.66Å
87	M	78.7	Confident	78.7	Confident	125 Å²	125	84.5 Å²	84.5	62%	0.616	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.4	-178.9	-64.6	-177.1	-177.8	0	0	113.3	L85 L191 Q193	L85-M87 PolarHBondContact O-N 2.9Å; M87-L191 HydrophobicContact CB-CD1 3.9Å; M87-Q193 WeakPolarHBondContact O-CG 3.43Å; M87-Q193 PolarHBondContact O-NE2 3.23Å
88	R	80.9	Confident	79.4	Confident	214 Å²	214	81 Å²	81	81%	0.808	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.2	177.1	-66.4	-173.7	172.3	-180	-1.4	113.5	D86	D86-R88 PolarHBondContact O-N 2.89Å; D86-R88 WeakPolarHBondContact OD1-CB 3.28Å; D86-R88 PolarHBondContact OD1-N 3.3Å
89	R	86.5	Confident	79.9	Confident	125 Å²	125	81.1 Å²	81.1	47%	0.472	39%	0.391	S	S	.	.	S	Bend	trans	-110.1	114.4	-179	-69.4	-173.5	179.9	-168.6	-0.9	109.9	M74 A76 D86	M74-R89 WeakPolarHBondContact O-CA 3.22Å; M74-R89 VanDerWaalsContact O-CB 3.26Å; M74-R89 WeakPolarHBondContact O-CB 3.44Å; M74-R89 WeakPolarHBondContact O-CG 3.5Å; A76-R89 HydrophobicContact CB-CB 3.91Å; D86-R89 HydrophobicContact CB-CB 4.32Å; D86-R89 PolarHBondContact O-N 2.88Å; D86-R89 IonicContact OD2-NE 3.66Å
90	P	89.4	Confident	80.8	Confident	6 Å²	6	75 Å²	75	4%	0.039	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-70.6	156.4	-179.2	30	-32.8	0	0	0	111.2	M74 F75 A76 Q193 A194 Y196	M74-P90 WeakPolarHBondContact O-CD 3.43Å; F75-P90 VanDerWaalsContact CA-O 3.3Å; F75-P90 WeakPolarHBondContact CA-O 3.45Å; F75-P90 HydrophobicContact CD1-CG 4.18Å; F75-P90 WeakPolarHBondContact CD1-O 3.26Å; F75-P90 HydrophobicContact CE1-CG 4.21Å; A76-P90 PolarHBondContact N-O 2.91Å; P90-Q193 HydrophobicContact CB-CB 4.27Å; P90-Q193 HydrophobicContact CG-CB 4.07Å; P90-A194 WeakPolarHBondContact CG-O 3.3Å; P90-Y196 HydrophobicContact CB-CD2 3.9Å; P90-Y196 HydrophobicContact CB-CG 4.4Å
91	C	89.3	Confident	82.1	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.041	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-73.3	142.8	169.4	-60.3	0	0	0	0	110.9	C78 M186 F187	C78-C91 HydrophobicContact CB-CB 3.78Å; C78-C91 WeakPolarHBondContact CB-SG 3Å; C78-C91 WeakPolarHBondContact SG-CA 3.39Å; C78-C91 WeakPolarHBondContact SG-CB 3.41Å; C78-C91 CovalentContact SG-SG 2.01Å; C78-C91 PolarHBondContact SG-SG 3.21Å; C91-M186 PolarHBondContact SG-O 2.79Å; C91-F187 HydrophobicContact CB-CD1 3.65Å; C91-F187 HydrophobicContact CB-CE1 3.67Å; C91-F187 HydrophobicContact CB-CG 4.32Å; C91-F187 HydrophobicContact CB-CZ 4.38Å
92	R	89.5	Confident	83.5	Confident	120 Å²	120	67.5 Å²	67.5	45%	0.453	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-82.1	133.1	169.3	-176.1	178.5	172.8	-166.1	-6.1	108.9	I70 F75	I70-R92 VanDerWaalsContact CD1-CZ 3.4Å; F75-R92 HydrophobicContact CB-CB 4.28Å; F75-R92 HydrophobicContact CD1-CB 3.73Å; F75-R92 HydrophobicContact CE1-CB 4.27Å; F75-R92 HydrophobicContact CG-CB 4.03Å
93	F	91.1	Very high	84.9	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.009	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-89.9	125.5	172	-173.1	-85.5	0	0	0	109.3	Y66 L95 A97 T160 F187 Q197 P199 L200 F202	Y66-F93 HydrophobicContact CD1-CB 3.98Å; Y66-F93 HydrophobicContact CD1-CD1 4.37Å; Y66-F93 HydrophobicContact CD1-CG 4.46Å; Y66-F93 HydrophobicContact CE1-CB 4.25Å; F93-L95 HydrophobicContact CD1-CD2 4.23Å; F93-L95 HydrophobicContact CE1-CD2 4.37Å; F93-A97 HydrophobicContact CE1-CB 4.42Å; F93-A97 HydrophobicContact CZ-CB 4.31Å; F93-T160 HydrophobicContact CD2-CG2 3.8Å; F93-T160 HydrophobicContact CE2-CG2 3.51Å; F93-T160 HydrophobicContact CZ-CG2 4.27Å; F93-F187 HydrophobicContact CB-CE1 3.9Å; F93-F187 HydrophobicContact CB-CZ 4.16Å; F93-F187 HydrophobicContact CD2-CE1 4.06Å; F93-F187 HydrophobicContact CD2-CE2 4.29Å; F93-F187 AromaticContact CD2-CZ 3.66Å; F93-F187 HydrophobicContact CD2-CZ 3.66Å; F93-F187 HydrophobicContact CG-CE1 4.5Å; F93-F187 HydrophobicContact CG-CZ 4.37Å; F93-Q197 HydrophobicContact CB-CB 4.38Å; F93-P199 HydrophobicContact CD2-CB 4.43Å; F93-P199 HydrophobicContact CE2-CB 4.48Å; F93-L200 HydrophobicContact CE1-CB 4.17Å; F93-L200 HydrophobicContact CE1-CD1 4.47Å; F93-L200 HydrophobicContact CE2-CB 4.24Å; F93-L200 VanDerWaalsContact CE2-N 3.29Å; F93-L200 WeakPolarHBondContact CE2-O 3.29Å; F93-L200 HydrophobicContact CZ-CB 3.84Å; F93-L200 WeakPolarHBondContact CZ-O 3.27Å; F93-F202 HydrophobicContact CE1-CE2 4.31Å
94	N	90.2	Very high	86.4	Confident	53 Å²	53	67.2 Å²	67.2	28%	0.283	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-84.9	119.7	176.4	-175.2	-5.3	0	0	0	110.2	D96 A97 L163	N94-D96 PolarHBondContact O-N 2.79Å; N94-D96 WeakPolarHBondContact OD1-CB 3.39Å; N94-D96 PolarHBondContact OD1-N 3.02Å; N94-D96 PolarHBondContact OD1-OD2 2.9Å; N94-A97 WeakPolarHBondContact O-CB 3.4Å; N94-A97 PolarHBondContact O-N 3.46Å; N94-L163 HydrophobicContact CB-CD1 4.01Å
95	L	91.6	Very high	87.9	Confident	32 Å²	32	63.8 Å²	63.8	17%	0.168	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-69.6	-18.7	-180	-70.6	178.8	0	0	0	113.6	L63 Y66 Q67 F93 A97 S98	L63-L95 HydrophobicContact CB-CD1 4.42Å; L63-L95 HydrophobicContact CD2-CD2 3.86Å; Y66-L95 HydrophobicContact CG-CD2 4.32Å; Q67-L95 HydrophobicContact CB-CD1 3.97Å; F93-L95 HydrophobicContact CD1-CD2 4.23Å; F93-L95 HydrophobicContact CE1-CD2 4.37Å; L95-A97 PolarHBondContact O-N 3.06Å; L95-A97 VanDerWaalsContact O-N 3.09Å; L95-S98 VanDerWaalsContact O-CB 3.23Å; L95-S98 WeakPolarHBondContact O-CB 3.35Å; L95-S98 PolarHBondContact O-N 3.18Å; L95-S98 PolarHBondContact O-OG 2.87Å
96	D	89.1	Confident	89	Confident	87 Å²	87	61.6 Å²	61.6	47%	0.465	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62.1	-18.9	174.5	-60.1	-27.6	0	0	0	111.8	N94 S98 G99 L163	N94-D96 PolarHBondContact O-N 2.79Å; N94-D96 WeakPolarHBondContact OD1-CB 3.39Å; N94-D96 PolarHBondContact OD1-N 3.02Å; N94-D96 PolarHBondContact OD1-OD2 2.9Å; D96-S98 PolarHBondContact O-N 2.97Å; D96-G99 PolarHBondContact O-N 2.92Å; D96-L163 HydrophobicContact CB-CD2 3.82Å
97	A	90.8	Very high	90	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.3	-19.9	172.4	0	0	0	0	0	113.7	F93 N94 L95 G99 Y158 D159 L163	F93-A97 HydrophobicContact CE1-CB 4.42Å; F93-A97 HydrophobicContact CZ-CB 4.31Å; N94-A97 WeakPolarHBondContact O-CB 3.4Å; N94-A97 PolarHBondContact O-N 3.46Å; L95-A97 PolarHBondContact O-N 3.06Å; L95-A97 VanDerWaalsContact O-N 3.09Å; A97-G99 PolarHBondContact O-N 2.82Å; A97-Y158 WeakPolarHBondContact O-CB 3.4Å; A97-D159 WeakPolarHBondContact CB-O 3.17Å; A97-L163 HydrophobicContact CB-CD1 4.18Å; A97-L163 HydrophobicContact CB-CD2 4.09Å; A97-L163 HydrophobicContact CB-CG 3.84Å; A97-L163 VanDerWaalsContact N-CD2 3.35Å
98	S	92	Very high	90.7	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.07	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-67.9	-15	177.6	63	0	0	0	0	113.9	L95 D96 C101 Y158	L95-S98 VanDerWaalsContact O-CB 3.23Å; L95-S98 WeakPolarHBondContact O-CB 3.35Å; L95-S98 PolarHBondContact O-N 3.18Å; L95-S98 PolarHBondContact O-OG 2.87Å; D96-S98 PolarHBondContact O-N 2.97Å; S98-C101 WeakPolarHBondContact O-CB 3.41Å; S98-C101 PolarHBondContact O-N 2.83Å; S98-C101 VanDerWaalsContact O-N 3.09Å; S98-Y158 VanDerWaalsContact O-CD2 3.29Å; S98-Y158 WeakPolarHBondContact O-CD2 3.47Å
99	G	88.7	Confident	91.3	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-126	179.1	0	0	0	0	0	112.4	D96 A97 C101 N102	D96-G99 PolarHBondContact O-N 2.92Å; A97-G99 PolarHBondContact O-N 2.82Å; G99-C101 PolarHBondContact O-N 2.94Å; G99-N102 PolarHBondContact O-ND2 3Å
100	P	90.1	Very high	91.6	Very high	7 Å²	7	42.7 Å²	42.7	5%	0.045	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.3	180	30.1	-34.2	0	0	0	113.8	N102 N105 Y158	P100-N102 PolarHBondContact O-N 3.13Å; P100-N105 WeakPolarHBondContact O-CB 3.33Å; P100-N105 PolarHBondContact O-ND2 2.97Å; P100-Y158 HydrophobicContact CG-CD2 4.42Å; P100-Y158 HydrophobicContact CG-CE1 4.13Å; P100-Y158 HydrophobicContact CG-CE2 3.56Å; P100-Y158 WeakPolarHBondContact CG-OH 3.48Å
101	C	92.9	Very high	91.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	23%	0.234	C	C	.	.			trans	-82	60.2	177.4	-66.4	0	0	0	0	112.9	S98 G99 Y107 C115 Y158 F202	S98-C101 WeakPolarHBondContact O-CB 3.41Å; S98-C101 PolarHBondContact O-N 2.83Å; S98-C101 VanDerWaalsContact O-N 3.09Å; G99-C101 PolarHBondContact O-N 2.94Å; C101-Y107 WeakPolarHBondContact O-CD1 3.4Å; C101-C115 HydrophobicContact CB-CB 3.84Å; C101-C115 WeakPolarHBondContact CB-SG 3.29Å; C101-C115 WeakPolarHBondContact SG-CB 3.32Å; C101-C115 CovalentContact SG-SG 2.01Å; C101-C115 PolarHBondContact SG-SG 2.88Å; C101-Y158 HydrophobicContact CB-CD2 4.28Å; C101-Y158 VanDerWaalsContact SG-CD2 3.51Å; C101-Y158 WeakPolarHBondContact SG-CE2 3.35Å; C101-F202 HydrophobicContact CB-CB 4.09Å; C101-F202 HydrophobicContact CB-CD1 3.86Å; C101-F202 HydrophobicContact CB-CG 4.19Å
102	N	92.3	Very high	92	Very high	48 Å²	48	47.1 Å²	47.1	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	-121.5	169.5	-178.2	60.9	56.8	0	0	0	111.7	G99 P100 K104 N105 G106 Y107	G99-N102 PolarHBondContact O-ND2 3Å; P100-N102 PolarHBondContact O-N 3.13Å; N102-K104 VanDerWaalsContact C-N 3.27Å; N102-K104 PolarHBondContact O-N 3.11Å; N102-K104 WeakPolarHBondContact OD1-CB 3.09Å; N102-K104 PolarHBondContact OD1-N 3.41Å; N102-K104 VanDerWaalsContact OD1-N 3.11Å; N102-N105 PolarHBondContact O-N 3.45Å; N102-N105 PolarHBondContact OD1-N 2.88Å; N102-G106 PolarHBondContact O-N 3.36Å; N102-Y107 PolarHBondContact O-N 2.97Å; N102-Y107 VanDerWaalsContact O-N 3.1Å
103	L	93.2	Very high	92.3	Very high	96 Å²	96	43.6 Å²	43.6	50%	0.503	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-61.6	-34	179.8	-178.1	58.8	0	0	0	112.8	I56 T60 N105 G106 Y107	I56-L103 HydrophobicContact CG2-CD1 3.88Å; T60-L103 HydrophobicContact CG2-CD2 4.12Å; T60-L103 WeakPolarHBondContact OG1-CD1 3.31Å; L103-N105 VanDerWaalsContact C-N 3.26Å; L103-N105 PolarHBondContact O-N 3Å; L103-G106 PolarHBondContact O-N 3.3Å; L103-Y107 HydrophobicContact CD1-CE2 4.11Å
104	K	92.2	Very high	92.5	Very high	195 Å²	195	43.5 Å²	43.5	85%	0.848	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-61.4	-36.8	179.6	179.7	-174.6	175	-173.5	0	111.6	N102 G106	N102-K104 VanDerWaalsContact C-N 3.27Å; N102-K104 PolarHBondContact O-N 3.11Å; N102-K104 WeakPolarHBondContact OD1-CB 3.09Å; N102-K104 PolarHBondContact OD1-N 3.41Å; N102-K104 VanDerWaalsContact OD1-N 3.11Å; K104-G106 VanDerWaalsContact C-N 3.32Å
105	N	91.7	Very high	92.8	Very high	68 Å²	68	41 Å²	41	36%	0.364	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-90.1	5.8	176.4	-65.2	-12	0	0	0	112.9	P100 N102 L103 Y107 G108	P100-N105 WeakPolarHBondContact O-CB 3.33Å; P100-N105 PolarHBondContact O-ND2 2.97Å; N102-N105 PolarHBondContact O-N 3.45Å; N102-N105 PolarHBondContact OD1-N 2.88Å; L103-N105 VanDerWaalsContact C-N 3.26Å; L103-N105 PolarHBondContact O-N 3Å; N105-Y107 PolarHBondContact O-N 3.3Å; N105-G108 PolarHBondContact O-N 3.16Å
106	G	93.9	Very high	93	Very high	13 Å²	13	39.5 Å²	39.5	13%	0.134	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	57.9	31.5	-177.3	0	0	0	0	0	113.4	N102 L103 K104 G108 Y109	N102-G106 PolarHBondContact O-N 3.36Å; L103-G106 PolarHBondContact O-N 3.3Å; K104-G106 VanDerWaalsContact C-N 3.32Å; G106-G108 PolarHBondContact O-N 3.26Å; G106-Y109 WeakPolarHBondContact O-CD2 3.45Å; G106-Y109 PolarHBondContact O-N 3.23Å
107	Y	95	Very high	93.4	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.027	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	51	26	-173.8	-47.8	-77.3	0	0	0	114.1	I56 M59 T60 L63 C101 N102 L103 N105 Y109 C115	I56-Y107 HydrophobicContact CB-CD2 4.46Å; I56-Y107 HydrophobicContact CG1-CD2 4.25Å; I56-Y107 HydrophobicContact CG2-CD2 4.27Å; I56-Y107 HydrophobicContact CG2-CE2 4.07Å; M59-Y107 HydrophobicContact CB-CD2 4.07Å; M59-Y107 HydrophobicContact CB-CE1 4.45Å; M59-Y107 HydrophobicContact CB-CE2 3.75Å; M59-Y107 HydrophobicContact CG-CD1 3.76Å; M59-Y107 HydrophobicContact CG-CD2 3.94Å; M59-Y107 HydrophobicContact CG-CE1 3.45Å; M59-Y107 VanDerWaalsContact CG-CE1 3.45Å; M59-Y107 HydrophobicContact CG-CE2 3.64Å; M59-Y107 HydrophobicContact CG-CG 3.99Å; T60-Y107 PolarHBondContact OG1-OH 3.3Å; L63-Y107 HydrophobicContact CD1-CE1 3.8Å; C101-Y107 WeakPolarHBondContact O-CD1 3.4Å; N102-Y107 PolarHBondContact O-N 2.97Å; N102-Y107 VanDerWaalsContact O-N 3.1Å; L103-Y107 HydrophobicContact CD1-CE2 4.11Å; N105-Y107 PolarHBondContact O-N 3.3Å; Y107-Y109 VanDerWaalsContact C-N 3.28Å; Y107-Y109 PolarHBondContact O-N 3.1Å; Y107-C115 VanDerWaalsContact O-CB 3.32Å; Y107-C115 WeakPolarHBondContact O-CB 3.34Å; Y107-C115 PolarHBondContact O-N 3.09Å
108	G	94	Very high	93.7	Very high	5 Å²	5	35.3 Å²	35.3	5%	0.052	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	76	1.9	176.1	0	0	0	0	0	116.1	N105 G106 H110 E111 G112 K113	N105-G108 PolarHBondContact O-N 3.16Å; G106-G108 PolarHBondContact O-N 3.26Å; G108-H110 PolarHBondContact O-N 2.83Å; G108-E111 PolarHBondContact O-N 2.87Å; G108-G112 PolarHBondContact O-N 1.99Å; G108-K113 CarbonylContact C-O 3.6Å; G108-K113 VanDerWaalsContact C-O 3.22Å; G108-K113 WeakPolarHBondContact CA-O 3.17Å; G108-K113 CarbonylContact O-C 3.57Å; G108-K113 PolarHBondContact O-N 3.26Å; G108-K113 VanDerWaalsContact O-O 3.13Å
109	Y	94.3	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.6	-180	-74	-73.9	0	0	0	113.2	P33 F44 Y52 M55 I56 G106 Y107 E111 G112 P114 F116	P33-Y109 WeakPolarHBondContact CD-OH 3.39Å; P33-Y109 VanDerWaalsContact CG-OH 3.25Å; P33-Y109 WeakPolarHBondContact CG-OH 3.35Å; F44-Y109 AromaticContact CD1-CD1 3.89Å; F44-Y109 HydrophobicContact CD1-CD1 3.89Å; F44-Y109 HydrophobicContact CD1-CE1 4.02Å; F44-Y109 HydrophobicContact CD2-CD1 4.03Å; F44-Y109 AromaticContact CE1-CD1 3.76Å; F44-Y109 HydrophobicContact CE1-CD1 3.76Å; F44-Y109 AromaticContact CE1-CE1 3.89Å; F44-Y109 HydrophobicContact CE1-CE1 3.89Å; F44-Y109 AromaticContact CE2-CD1 3.9Å; F44-Y109 HydrophobicContact CE2-CD1 3.9Å; F44-Y109 WeakPolarHBondContact CE2-O 3.08Å; F44-Y109 HydrophobicContact CG-CD1 4.03Å; F44-Y109 AromaticContact CZ-CD1 3.76Å; F44-Y109 HydrophobicContact CZ-CD1 3.76Å; F44-Y109 HydrophobicContact CZ-CE1 4.31Å; Y52-Y109 HydrophobicContact CD2-CG 4.49Å; Y52-Y109 HydrophobicContact CG-CG 4.3Å; M55-Y109 HydrophobicContact CB-CE1 4.22Å; M55-Y109 HydrophobicContact CB-CE2 3.97Å; M55-Y109 HydrophobicContact CG-CE1 4.48Å; M55-Y109 HydrophobicContact SD-CD1 4.08Å; M55-Y109 HydrophobicContact SD-CE1 3.42Å; M55-Y109 WeakPolarHBondContact SD-CE1 3.23Å; I56-Y109 HydrophobicContact CG1-CD2 3.95Å; G106-Y109 WeakPolarHBondContact O-CD2 3.45Å; G106-Y109 PolarHBondContact O-N 3.23Å; Y107-Y109 VanDerWaalsContact C-N 3.28Å; Y107-Y109 PolarHBondContact O-N 3.1Å; Y109-E111 VanDerWaalsContact C-N 3.27Å; Y109-E111 PolarHBondContact O-N 2.78Å; Y109-G112 PolarHBondContact O-N 2.79Å; Y109-G112 VanDerWaalsContact O-N 3.09Å; Y109-P114 HydrophobicContact CD1-CB 4.04Å; Y109-P114 HydrophobicContact CE1-CB 3.77Å; Y109-F116 WeakPolarHBondContact OH-CE1 3.29Å
110	H	93.1	Very high	94.2	Very high	128 Å²	128	37 Å²	37	59%	0.593	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.1	178.2	174.5	-93.6	0	0	0	112.6	G108 G112	G108-H110 PolarHBondContact O-N 2.83Å; H110-G112 VanDerWaalsContact C-N 3.28Å; H110-G112 PolarHBondContact O-N 2.8Å
111	E	93.2	Very high	94.4	Very high	100 Å²	100	39.3 Å²	39.3	47%	0.467	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.4	179.5	-60.8	-170.9	-177.9	0	0	113.3	G108 Y109 K113	G108-E111 PolarHBondContact O-N 2.87Å; Y109-E111 VanDerWaalsContact C-N 3.27Å; Y109-E111 PolarHBondContact O-N 2.78Å; E111-K113 VanDerWaalsContact C-N 3.28Å; E111-K113 HydrophobicContact CB-CD 4.31Å; E111-K113 HydrophobicContact CB-CG 4.23Å; E111-K113 IonicContact OE2-NZ 3.37Å; E111-K113 PolarHBondContact OE2-NZ 3.13Å
112	G	94.2	Very high	94.4	Very high	4 Å²	4	44.2 Å²	44.2	4%	0.041	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	24.1	-169.4	0	0	0	0	0	113.2	G108 Y109 H110 P114 P208	G108-G112 PolarHBondContact O-N 1.99Å; Y109-G112 PolarHBondContact O-N 2.79Å; Y109-G112 VanDerWaalsContact O-N 3.09Å; H110-G112 VanDerWaalsContact C-N 3.28Å; H110-G112 PolarHBondContact O-N 2.8Å; G112-P114 WeakPolarHBondContact O-CD 3.37Å; G112-P208 WeakPolarHBondContact O-CD 3.44Å; G112-P208 WeakPolarHBondContact O-CG 3.45Å
113	K	95	Very high	94.4	Very high	47 Å²	47	42.3 Å²	42.3	20%	0.204	20%	0.201	C	C	.	.			trans	-118.2	73.7	176.4	-58.6	176.8	-165.2	150.9	0	108.4	G108 E111 H204 F205	G108-K113 CarbonylContact C-O 3.6Å; G108-K113 VanDerWaalsContact C-O 3.22Å; G108-K113 WeakPolarHBondContact CA-O 3.17Å; G108-K113 CarbonylContact O-C 3.57Å; G108-K113 PolarHBondContact O-N 3.26Å; G108-K113 VanDerWaalsContact O-O 3.13Å; E111-K113 VanDerWaalsContact C-N 3.28Å; E111-K113 HydrophobicContact CB-CD 4.31Å; E111-K113 HydrophobicContact CB-CG 4.23Å; E111-K113 IonicContact OE2-NZ 3.37Å; E111-K113 PolarHBondContact OE2-NZ 3.13Å; K113-H204 WeakPolarHBondContact CB-NE2 3.35Å; K113-H204 PolarHBondContact O-CD2 3.31Å; K113-H204 PolarHBondContact O-NE2 3.49Å; K113-F205 VanDerWaalsContact CA-O 3.24Å; K113-F205 WeakPolarHBondContact CA-O 3.13Å; K113-F205 WeakPolarHBondContact CB-O 3.43Å
114	P	95.6	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.188	C	C	.	.			trans	-66.3	141.7	-171.1	28.6	-33.7	0	0	0	110.9	F44 Y109 G112 F116 F205 V242	F44-P114 HydrophobicContact CE1-CB 3.79Å; F44-P114 HydrophobicContact CE1-CG 3.97Å; F44-P114 HydrophobicContact CZ-CB 3.73Å; F44-P114 HydrophobicContact CZ-CG 3.84Å; Y109-P114 HydrophobicContact CD1-CB 4.04Å; Y109-P114 HydrophobicContact CE1-CB 3.77Å; G112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-F116 HydrophobicContact CB-CE2 3.77Å; P114-F116 HydrophobicContact CB-CZ 3.77Å; P114-F116 HydrophobicContact CG-CE2 3.96Å; P114-F116 HydrophobicContact CG-CZ 4.22Å; P114-F205 PolarHBondContact O-N 3.5Å; P114-F205 VanDerWaalsContact O-N 3.13Å; P114-V242 HydrophobicContact CG-CG2 4.35Å
115	C	95.9	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.5	172.9	-169.2	0	0	0	0	112	M59 C101 Y107 V203 H204	M59-C115 WeakPolarHBondContact CE-O 3.48Å; C101-C115 HydrophobicContact CB-CB 3.84Å; C101-C115 WeakPolarHBondContact CB-SG 3.29Å; C101-C115 WeakPolarHBondContact SG-CB 3.32Å; C101-C115 CovalentContact SG-SG 2.01Å; C101-C115 PolarHBondContact SG-SG 2.88Å; Y107-C115 VanDerWaalsContact O-CB 3.32Å; Y107-C115 WeakPolarHBondContact O-CB 3.34Å; Y107-C115 PolarHBondContact O-N 3.09Å; C115-V203 WeakPolarHBondContact CA-O 2.97Å; C115-H204 HydrophobicContact CB-CB 4.23Å
116	F	96.4	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.6	-177.4	-57.5	-79.2	0	0	0	110.8	I31 I32 P33 I42 Y109 P114 F202 V203 F205 F238 I240	I31-F116 HydrophobicContact CD1-CB 3.92Å; I31-F116 HydrophobicContact CD1-CD1 3.82Å; I31-F116 HydrophobicContact CD1-CG 3.84Å; I31-F116 HydrophobicContact CG1-CB 3.91Å; I31-F116 HydrophobicContact CG1-CD1 4.12Å; I31-F116 HydrophobicContact CG1-CG 4.25Å; I32-F116 CarbonylContact O-C 3.22Å; I32-F116 WeakPolarHBondContact O-CA 2.94Å; P33-F116 HydrophobicContact CG-CD1 4.39Å; P33-F116 HydrophobicContact CG-CE1 4.39Å; I42-F116 HydrophobicContact CD1-CD1 3.91Å; I42-F116 HydrophobicContact CD1-CE1 3.29Å; I42-F116 HydrophobicContact CD1-CZ 3.89Å; I42-F116 HydrophobicContact CG1-CE1 4.44Å; I42-F116 HydrophobicContact CG2-CE1 3.94Å; I42-F116 HydrophobicContact CG2-CZ 4.09Å; Y109-F116 WeakPolarHBondContact OH-CE1 3.29Å; P114-F116 HydrophobicContact CB-CE2 3.77Å; P114-F116 HydrophobicContact CB-CZ 3.77Å; P114-F116 HydrophobicContact CG-CE2 3.96Å; P114-F116 HydrophobicContact CG-CZ 4.22Å; F116-F202 CarbonylContact O-C 3.44Å; F116-F202 VanDerWaalsContact O-CA 3.31Å; F116-F202 WeakPolarHBondContact O-CA 3.38Å; F116-V203 PolarHBondContact N-O 3.01Å; F116-V203 PolarHBondContact O-N 3.32Å; F116-F205 AromaticContact CD2-CD2 3.82Å; F116-F205 HydrophobicContact CD2-CD2 3.82Å; F116-F205 AromaticContact CD2-CE2 3.5Å; F116-F205 HydrophobicContact CD2-CE2 3.5Å; F116-F205 AromaticContact CE2-CD2 3.71Å; F116-F205 HydrophobicContact CE2-CD2 3.71Å; F116-F205 AromaticContact CE2-CE2 3.67Å; F116-F205 HydrophobicContact CE2-CE2 3.67Å; F116-F238 HydrophobicContact CD2-CE2 4.35Å; F116-F238 HydrophobicContact CE2-CE2 4.24Å; F116-I240 HydrophobicContact CE2-CG2 4.05Å; F116-I240 HydrophobicContact CZ-CG2 3.9Å
117	A	97.1	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120	168.9	0	0	0	0	0	108.6	I31 I32 M59 F202	I31-A117 CarbonylContact C-O 3.56Å; I32-A117 HydrophobicContact CB-CB 4.25Å; I32-A117 WeakPolarHBondContact CD1-O 3.45Å; I32-A117 PolarHBondContact N-O 3.38Å; I32-A117 PolarHBondContact O-N 3.37Å; M59-A117 HydrophobicContact CE-CB 4.3Å; M59-A117 HydrophobicContact SD-CB 3.91Å; A117-F202 HydrophobicContact CB-CD1 4.03Å; A117-F202 HydrophobicContact CB-CE1 3.85Å; A117-F202 HydrophobicContact CB-CZ 4.38Å
118	I	96.9	Very high	94.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.3	174.5	-53.9	-170.2	0	0	0	107.8	L29 S30 L139 Y183 V201 V203 C218	L29-I118 HydrophobicContact CB-CG2 4.28Å; L29-I118 HydrophobicContact CD1-CG2 4.28Å; L29-I118 HydrophobicContact CD2-CG2 3.93Å; L29-I118 HydrophobicContact CG-CG2 4.42Å; S30-I118 WeakPolarHBondContact O-CA 3.35Å; I118-L139 HydrophobicContact CB-CD2 3.81Å; I118-L139 HydrophobicContact CD1-CD2 4.1Å; I118-L139 HydrophobicContact CG1-CD2 4.41Å; I118-L139 HydrophobicContact CG2-CD1 4.23Å; I118-L139 HydrophobicContact CG2-CD2 3.91Å; I118-Y183 WeakPolarHBondContact CG2-OH 3.47Å; I118-Y183 PolarHBondContact O-OH 3.2Å; I118-Y183 VanDerWaalsContact O-OH 3.06Å; I118-V201 PolarHBondContact N-O 3.27Å; I118-V201 PolarHBondContact O-N 3.37Å; I118-V203 HydrophobicContact CD1-CB 4.32Å; I118-V203 HydrophobicContact CD1-CG2 3.69Å; I118-V203 HydrophobicContact CG1-CG2 4.03Å; I118-C218 HydrophobicContact CD1-CB 3.97Å; I118-C218 WeakPolarHBondContact CD1-SG 3.31Å
119	K	95.6	Very high	94.1	Very high	56 Å²	56	38.5 Å²	38.5	24%	0.243	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.9	178.1	69.5	-179.9	176.2	-165.9	0	111	L29 S30 I32 F62 L200	L29-K119 WeakPolarHBondContact CA-O 3.45Å; S30-K119 PolarHBondContact N-O 2.8Å; S30-K119 PolarHBondContact O-N 3.44Å; I32-K119 HydrophobicContact CD1-CD 3.84Å; I32-K119 HydrophobicContact CD1-CG 3.99Å; F62-K119 HydrophobicContact CE2-CD 4.44Å; F62-K119 HydrophobicContact CZ-CD 4.14Å; K119-L200 HydrophobicContact CB-CD2 3.81Å
120	L	95	Very high	94	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.6	167.2	-163.1	67.8	0	0	0	110.2	P27 L29 W126 Y183 Y188 V220	P27-L120 HydrophobicContact CB-CD1 3.9Å; P27-L120 HydrophobicContact CB-CD2 4.35Å; P27-L120 HydrophobicContact CB-CG 3.89Å; P27-L120 HydrophobicContact CG-CD1 3.88Å; P27-L120 HydrophobicContact CG-CD2 4.03Å; P27-L120 HydrophobicContact CG-CG 4.03Å; L29-L120 HydrophobicContact CD2-CD1 3.76Å; L120-W126 HydrophobicContact CD2-CH2 3.67Å; L120-W126 HydrophobicContact CD2-CZ3 3.7Å; L120-Y183 HydrophobicContact CB-CE1 4.4Å; L120-Y183 HydrophobicContact CB-CE2 4.42Å; L120-Y188 HydrophobicContact CD2-CE1 4.24Å; L120-Y188 VanDerWaalsContact CD2-OH 3.23Å; L120-Y188 WeakPolarHBondContact CD2-OH 2.96Å; L120-V220 HydrophobicContact CD1-CG1 4.42Å; L120-V220 HydrophobicContact CD1-CG2 3.77Å
121	N	94.1	Very high	93.9	Very high	55 Å²	55	37 Å²	37	29%	0.294	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-66.6	136.7	-179.7	-72.6	-10.8	0	0	0	110.9	P27 G28 S30 I123	P27-N121 WeakPolarHBondContact CB-O 3.43Å; G28-N121 WeakPolarHBondContact O-CB 3.49Å; G28-N121 PolarHBondContact O-N 2.82Å; S30-N121 PolarHBondContact OG-OD1 3.48Å; N121-I123 PolarHBondContact O-N 2.94Å
122	R	93.4	Very high	93.7	Very high	104 Å²	104	39.6 Å²	39.6	39%	0.392	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-71.6	127.4	-176.2	-58.8	173.5	-172.4	174.9	-3.2	110	Y190 Y196 S198	R122-Y190 HydrophobicContact CB-CD1 3.82Å; R122-Y190 HydrophobicContact CB-CE1 4.16Å; R122-Y190 HydrophobicContact CB-CG 4.05Å; R122-Y190 HydrophobicContact CG-CG 4.45Å; R122-Y196 HydrophobicContact CG-CE1 4.12Å; R122-Y196 PolarHBondContact NH2-O 2.99Å; R122-S198 WeakPolarHBondContact CG-OG 3.18Å; R122-S198 PolarHBondContact NE-OG 3.35Å
123	I	92.3	Very high	93.4	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	24%	0.24	C	C	.	.			trans	-121.4	126.4	167.9	-62.7	-179	0	0	0	107.9	L23 L25 P27 N121 G125 W126	L23-I123 HydrophobicContact CB-CD1 4.17Å; L23-I123 HydrophobicContact CD1-CD1 4.12Å; L23-I123 HydrophobicContact CD1-CG1 4.13Å; L25-I123 HydrophobicContact CD2-CG2 3.91Å; P27-I123 HydrophobicContact CB-CD1 3.89Å; P27-I123 HydrophobicContact CB-CG1 4.34Å; N121-I123 PolarHBondContact O-N 2.94Å; I123-G125 PolarHBondContact O-N 3.48Å; I123-W126 HydrophobicContact CB-CB 3.7Å; I123-W126 HydrophobicContact CB-CG 4.33Å; I123-W126 HydrophobicContact CG2-CB 3.91Å; I123-W126 WeakPolarHBondContact O-CB 3.4Å; I123-W126 PolarHBondContact O-N 3.15Å; I123-W126 VanDerWaalsContact O-N 3.12Å
124	Y	91.5	Very high	93.2	Very high	61 Å²	61	49.7 Å²	49.7	24%	0.239	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-58.2	125.2	-179.9	-174.8	-81.9	0	0	0	110.7	Y13 P14 T17 W126 Y190 L191 N192	Y13-Y124 WeakPolarHBondContact CB-OH 3.31Å; P14-Y124 HydrophobicContact CG-CD1 4.46Å; P14-Y124 HydrophobicContact CG-CG 4.09Å; T17-Y124 HydrophobicContact CG2-CD1 3.72Å; T17-Y124 HydrophobicContact CG2-CE1 4.23Å; Y124-W126 PolarHBondContact O-N 3.44Å; Y124-Y190 CarbonylContact C-O 3.52Å; Y124-Y190 WeakPolarHBondContact CA-O 2.99Å; Y124-L191 HydrophobicContact CE1-CD2 4.34Å; Y124-L191 HydrophobicContact CE2-CB 4.44Å; Y124-N192 HydrophobicContact CD2-CB 4.46Å; Y124-N192 HydrophobicContact CE2-CB 4.28Å
125	G	90.6	Very high	92.8	Very high	35 Å²	35	54.4 Å²	54.4	36%	0.361	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	8.8	179.1	0	0	0	0	0	115.1	I123 Y190	I123-G125 PolarHBondContact O-N 3.48Å; G125-Y190 PolarHBondContact N-O 2.83Å
126	W	93	Very high	92.6	Very high	6 Å²	6	56.5 Å²	56.5	2%	0.023	29%	0.287	C	S	.	.			trans	-72.7	132.8	176.6	-177.7	90.1	0	0	0	110.9	L25 P27 L120 I123 Y124 P128 V137 Y188 P189 N224 I225	L25-W126 HydrophobicContact CD2-CB 4.28Å; L25-W126 PolarHBondContact O-NE1 3.06Å; P27-W126 HydrophobicContact CG-CH2 4.41Å; P27-W126 HydrophobicContact CG-CZ2 3.91Å; L120-W126 HydrophobicContact CD2-CH2 3.67Å; L120-W126 HydrophobicContact CD2-CZ3 3.7Å; I123-W126 HydrophobicContact CB-CB 3.7Å; I123-W126 HydrophobicContact CB-CG 4.33Å; I123-W126 HydrophobicContact CG2-CB 3.91Å; I123-W126 WeakPolarHBondContact O-CB 3.4Å; I123-W126 PolarHBondContact O-N 3.15Å; I123-W126 VanDerWaalsContact O-N 3.12Å; Y124-W126 PolarHBondContact O-N 3.44Å; W126-P128 HydrophobicContact CH2-CB 3.61Å; W126-P128 HydrophobicContact CZ2-CB 4.38Å; W126-P128 HydrophobicContact CZ3-CB 3.8Å; W126-P128 HydrophobicContact CZ3-CG 4.24Å; W126-V137 HydrophobicContact CH2-CG2 4.21Å; W126-Y188 AromaticContact CE3-CD1 3.59Å; W126-Y188 HydrophobicContact CE3-CD1 3.59Å; W126-Y188 AromaticContact CE3-CE1 3.77Å; W126-Y188 HydrophobicContact CE3-CE1 3.77Å; W126-Y188 HydrophobicContact CE3-CG 4.21Å; W126-Y188 AromaticContact CZ3-CD1 3.67Å; W126-Y188 HydrophobicContact CZ3-CD1 3.67Å; W126-Y188 HydrophobicContact CZ3-CD2 4.3Å; W126-Y188 AromaticContact CZ3-CE1 3.56Å; W126-Y188 HydrophobicContact CZ3-CE1 3.56Å; W126-Y188 HydrophobicContact CZ3-CE2 4.21Å; W126-Y188 HydrophobicContact CZ3-CG 4.05Å; W126-Y188 AromaticContact CZ3-CZ 3.85Å; W126-P189 WeakPolarHBondContact O-CB 3.33Å; W126-N224 PolarHBondContact NE1-ND2 2.84Å; W126-I225 HydrophobicContact CH2-CD1 4.08Å; W126-I225 HydrophobicContact CZ2-CD1 3.73Å; W126-I225 HydrophobicContact CZ2-CG1 3.87Å
127	L	92.1	Very high	92.5	Very high	99 Å²	99	56.5 Å²	56.5	52%	0.518	29%	0.287	S	S	.	.			trans	-119	133	174.4	-72.7	172.1	0	0	0	109.2	P189 N224	L127-P189 HydrophobicContact CD2-CB 3.75Å; L127-P189 HydrophobicContact CD2-CG 3.9Å; L127-P189 HydrophobicContact CG-CB 4.25Å; L127-N224 PolarHBondContact O-ND2 2.96Å
128	P	92.6	Very high	92.4	Very high	18 Å²	18	56.8 Å²	56.8	12%	0.117	29%	0.288	C	S	.	.			trans	-67.5	140.5	175.4	27.2	-33.5	0	0	0	111.1	W126 P130 V137 Y188	W126-P128 HydrophobicContact CH2-CB 3.61Å; W126-P128 HydrophobicContact CZ2-CB 4.38Å; W126-P128 HydrophobicContact CZ3-CB 3.8Å; W126-P128 HydrophobicContact CZ3-CG 4.24Å; P128-P130 WeakPolarHBondContact O-CD 3.4Å; P128-V137 HydrophobicContact CB-CG2 3.19Å; P128-V137 HydrophobicContact CG-CG2 4.29Å; P128-Y188 HydrophobicContact CG-CD2 3.89Å; P128-Y188 HydrophobicContact CG-CG 4.22Å
129	I	93.9	Very high	92.5	Very high	85 Å²	85	56.8 Å²	56.8	44%	0.436	29%	0.288	S	S	.	.			trans	-113.1	98.2	165.5	-53.3	-176.1	0	0	0	107.1	A222 K223 N224	I129-A222 CarbonylContact O-C 3.55Å; I129-K223 HydrophobicContact CB-CB 4.14Å; I129-K223 HydrophobicContact CG2-CB 3.82Å; I129-K223 HydrophobicContact CG2-CD 4Å; I129-K223 HydrophobicContact CG2-CG 4.3Å; I129-K223 WeakPolarHBondContact O-CB 3.33Å; I129-K223 PolarHBondContact O-N 2.91Å; I129-N224 HydrophobicContact CB-CB 4.13Å; I129-N224 HydrophobicContact CD1-CB 3.98Å; I129-N224 HydrophobicContact CG1-CB 4.02Å; I129-N224 PolarHBondContact N-OD1 3.38Å
130	P	91.8	Very high	92.5	Very high	35 Å²	35	57.4 Å²	57.4	23%	0.227	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-56.1	157.6	178.8	-26.6	35.5	0	0	0	113.2	P128 Y134 T135	P128-P130 WeakPolarHBondContact O-CD 3.4Å; P130-Y134 WeakPolarHBondContact CB-O 3.48Å; P130-T135 WeakPolarHBondContact CG-O 3.48Å
131	L	92.7	Very high	92.6	Very high	62 Å²	62	57.5 Å²	57.5	33%	0.325	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-69	161.4	170.6	-66.3	179.4	0	0	0	111	N133 Y134 L221	L131-N133 PolarHBondContact O-N 3.12Å; L131-Y134 HydrophobicContact CB-CD2 4Å; L131-Y134 PolarHBondContact O-N 3.24Å; L131-L221 HydrophobicContact CD1-CB 3.85Å
132	H	88.8	Confident	92.8	Very high	154 Å²	154	57.2 Å²	57.2	71%	0.713	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	135	171.7	-65.6	-70.4	0	0	0	110.2	Y134	H132-Y134 VanDerWaalsContact C-N 3.3Å; H132-Y134 WeakPolarHBondContact O-CD2 3.22Å; H132-Y134 PolarHBondContact O-N 3.17Å
133	N	88.2	Confident	92.9	Very high	167 Å²	167	52.4 Å²	52.4	89%	0.893	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	2.5	-175.4	-49.9	-28.7	0	0	0	116.6	L131	L131-N133 PolarHBondContact O-N 3.12Å
134	Y	89	Confident	93.1	Very high	96 Å²	96	55 Å²	55	38%	0.376	29%	0.285	S	S	.	.			trans	-119.2	147	175.8	-63	-83.9	0	0	0	110.9	P130 L131 H132 L138 Y180	P130-Y134 WeakPolarHBondContact CB-O 3.48Å; L131-Y134 HydrophobicContact CB-CD2 4Å; L131-Y134 PolarHBondContact O-N 3.24Å; H132-Y134 VanDerWaalsContact C-N 3.3Å; H132-Y134 WeakPolarHBondContact O-CD2 3.22Å; H132-Y134 PolarHBondContact O-N 3.17Å; Y134-L138 HydrophobicContact CD1-CD1 3.59Å; Y134-L138 HydrophobicContact CD1-CD2 3.9Å; Y134-L138 HydrophobicContact CD1-CG 4.26Å; Y134-L138 HydrophobicContact CD2-CD1 4.12Å; Y134-L138 HydrophobicContact CE1-CD1 3.57Å; Y134-L138 HydrophobicContact CE1-CD2 4.45Å; Y134-L138 HydrophobicContact CE2-CD1 4.11Å; Y134-L138 HydrophobicContact CG-CD1 3.85Å; Y134-L138 HydrophobicContact CG-CD2 4.41Å; Y134-L138 HydrophobicContact CG-CG 4.46Å; Y134-Y180 HydrophobicContact CE1-CE1 4.26Å; Y134-Y180 HydrophobicContact CE1-CE2 4.45Å; Y134-Y180 AromaticContact CE1-CZ 3.88Å
135	T	87.5	Confident	93.4	Very high	100 Å²	100	55.5 Å²	55.5	61%	0.613	30%	0.295	S	S	*	.	S	Bend	trans	-98.3	-12.7	178.3	45.8	0	0	0	0	113.1	P130 S185	P130-T135 WeakPolarHBondContact CG-O 3.48Å; T135-S185 PolarHBondContact O-OG 2.83Å
136	H	91.4	Very high	93.6	Very high	43 Å²	43	62 Å²	62	20%	0.199	31%	0.313	C	S	.	.	S	Bend	trans	-134.7	171.2	-171.1	-50.1	-68.3	0	0	0	110.8	I182 D184	H136-I182 HydrophobicContact CB-CG2 3.48Å; H136-I182 VanDerWaalsContact CB-CG2 3.48Å; H136-D184 IonicContact CE1-OD1 3.13Å; H136-D184 PolarHBondContact CE1-OD1 3.07Å; H136-D184 VanDerWaalsContact CE1-OD1 3.24Å; H136-D184 IonicContact CE1-OD2 2.83Å; H136-D184 IonicContact ND1-OD1 3.48Å; H136-D184 PolarHBondContact ND1-OD1 2.96Å; H136-D184 VanDerWaalsContact ND1-OD1 3.13Å
137	V	94.2	Very high	93.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.6	173.8	175.3	0	0	0	0	109.2	W126 P128 Y183 V220 A222 I225	W126-V137 HydrophobicContact CH2-CG2 4.21Å; P128-V137 HydrophobicContact CB-CG2 3.19Å; P128-V137 HydrophobicContact CG-CG2 4.29Å; V137-Y183 HydrophobicContact CG1-CD2 4.18Å; V137-Y183 PolarHBondContact N-O 2.88Å; V137-Y183 PolarHBondContact O-N 2.81Å; V137-V220 HydrophobicContact CG1-CG1 3.05Å; V137-A222 HydrophobicContact CG1-CB 4.19Å; V137-A222 HydrophobicContact CG2-CB 4.05Å; V137-I225 HydrophobicContact CG1-CD1 4.38Å
138	L	96.4	Very high	94	Very high	6 Å²	6	62 Å²	62	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.6	-176.4	-38.6	174.2	0	0	0	110.9	Y134 Y180 G181 I182 V220 L221	Y134-L138 HydrophobicContact CD1-CD1 3.59Å; Y134-L138 HydrophobicContact CD1-CD2 3.9Å; Y134-L138 HydrophobicContact CD1-CG 4.26Å; Y134-L138 HydrophobicContact CD2-CD1 4.12Å; Y134-L138 HydrophobicContact CE1-CD1 3.57Å; Y134-L138 HydrophobicContact CE1-CD2 4.45Å; Y134-L138 HydrophobicContact CE2-CD1 4.11Å; Y134-L138 HydrophobicContact CG-CD1 3.85Å; Y134-L138 HydrophobicContact CG-CD2 4.41Å; Y134-L138 HydrophobicContact CG-CG 4.46Å; L138-Y180 HydrophobicContact CB-CD2 4.31Å; L138-Y180 HydrophobicContact CB-CG 4.43Å; L138-Y180 HydrophobicContact CD1-CD2 4.33Å; L138-Y180 HydrophobicContact CD1-CE2 4.5Å; L138-Y180 HydrophobicContact CD1-CG 4.39Å; L138-Y180 HydrophobicContact CD2-CD2 3.79Å; L138-Y180 HydrophobicContact CD2-CE2 3.88Å; L138-Y180 HydrophobicContact CG-CD2 4.36Å; L138-G181 CarbonylContact C-O 3.53Å; L138-G181 VanDerWaalsContact CA-O 3.3Å; L138-G181 WeakPolarHBondContact CA-O 3.26Å; L138-I182 HydrophobicContact CD2-CG1 4.31Å; L138-V220 CarbonylContact O-C 3.58Å; L138-V220 WeakPolarHBondContact O-CA 3.4Å; L138-L221 HydrophobicContact CB-CB 4.13Å; L138-L221 PolarHBondContact N-O 3.2Å; L138-L221 PolarHBondContact O-N 3.09Å
139	L	97.4	Very high	94.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.1	169.1	-177.4	71.2	0	0	0	109.1	L29 I118 Y180 G181 Y183 V201 V203 C218 V220	L29-L139 HydrophobicContact CD1-CD1 3.52Å; L29-L139 HydrophobicContact CD2-CD1 4.11Å; L29-L139 HydrophobicContact CG-CD1 4.49Å; I118-L139 HydrophobicContact CB-CD2 3.81Å; I118-L139 HydrophobicContact CD1-CD2 4.1Å; I118-L139 HydrophobicContact CG1-CD2 4.41Å; I118-L139 HydrophobicContact CG2-CD1 4.23Å; I118-L139 HydrophobicContact CG2-CD2 3.91Å; L139-Y180 CarbonylContact O-C 3.5Å; L139-Y180 VanDerWaalsContact O-CA 3.27Å; L139-Y180 WeakPolarHBondContact O-CA 3.06Å; L139-Y180 WeakPolarHBondContact O-CB 3.27Å; L139-G181 PolarHBondContact N-O 2.84Å; L139-G181 PolarHBondContact O-N 3.22Å; L139-Y183 HydrophobicContact CB-CD2 4.48Å; L139-Y183 HydrophobicContact CB-CE2 3.86Å; L139-Y183 HydrophobicContact CD1-CE2 4.21Å; L139-Y183 HydrophobicContact CD2-CE2 4.46Å; L139-Y183 HydrophobicContact CG-CE2 4.4Å; L139-V201 HydrophobicContact CB-CG2 4.49Å; L139-V201 HydrophobicContact CD2-CB 3.76Å; L139-V201 HydrophobicContact CD2-CG1 3.66Å; L139-V201 HydrophobicContact CD2-CG2 4.33Å; L139-V203 HydrophobicContact CD2-CG2 4.01Å; L139-C218 HydrophobicContact CD1-CB 4.32Å; L139-V220 HydrophobicContact CD1-CG2 4.31Å
140	K	97.2	Very high	94.3	Very high	70 Å²	70	64.8 Å²	64.8	30%	0.304	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.1	172.9	-176	173.9	168.6	-145.5	0	110.3	E142 C218 Y219 L221	K140-E142 VanDerWaalsContact CE-OE2 3.27Å; K140-E142 WeakPolarHBondContact CE-OE2 3.47Å; K140-E142 IonicContact NZ-OE2 3.24Å; K140-E142 PolarHBondContact NZ-OE2 3.36Å; K140-C218 CarbonylContact O-C 3.51Å; K140-C218 VanDerWaalsContact O-CA 3.29Å; K140-C218 WeakPolarHBondContact O-CA 3.49Å; K140-Y219 HydrophobicContact CB-CE2 4.12Å; K140-Y219 HydrophobicContact CD-CE2 4.37Å; K140-Y219 WeakPolarHBondContact CD-OH 3.42Å; K140-Y219 PolarHBondContact N-O 3.47Å; K140-Y219 PolarHBondContact NZ-OH 3.24Å; K140-Y219 VanDerWaalsContact NZ-OH 3.09Å; K140-Y219 PolarHBondContact O-N 3.3Å; K140-L221 HydrophobicContact CB-CD1 4.35Å
141	C	97.4	Very high	94.5	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.5	172.8	-59.5	0	0	0	0	110.1	I155 Y157 V203 I216 K217 C218	C141-I155 HydrophobicContact CB-CD1 4.38Å; C141-I155 WeakPolarHBondContact O-CD1 3.37Å; C141-Y157 WeakPolarHBondContact CA-OH 3.45Å; C141-Y157 HydrophobicContact CB-CE1 4.31Å; C141-Y157 WeakPolarHBondContact CB-OH 3.47Å; C141-Y157 PolarHBondContact N-OH 3.19Å; C141-Y157 PolarHBondContact O-OH 2.96Å; C141-Y157 VanDerWaalsContact O-OH 3.13Å; C141-V203 HydrophobicContact CB-CG1 4.44Å; C141-I216 HydrophobicContact CB-CG2 4.43Å; C141-K217 CarbonylContact C-O 3.58Å; C141-K217 VanDerWaalsContact CA-O 3.28Å; C141-K217 WeakPolarHBondContact CA-O 3.46Å; C141-C218 HydrophobicContact CB-CB 4.13Å; C141-C218 WeakPolarHBondContact CB-SG 3.17Å; C141-C218 WeakPolarHBondContact SG-CB 3.26Å; C141-C218 CovalentContact SG-SG 2.04Å; C141-C218 PolarHBondContact SG-SG 3.31Å
142	E	96.8	Very high	94.6	Very high	49 Å²	49	63 Å²	63	23%	0.229	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	168.6	174	63.9	-165.3	-173.9	0	0	109.3	K140 K217 Y219	K140-E142 VanDerWaalsContact CE-OE2 3.27Å; K140-E142 WeakPolarHBondContact CE-OE2 3.47Å; K140-E142 IonicContact NZ-OE2 3.24Å; K140-E142 PolarHBondContact NZ-OE2 3.36Å; E142-K217 HydrophobicContact CG-CD 4.34Å; E142-K217 HydrophobicContact CG-CG 4.03Å; E142-K217 PolarHBondContact N-O 3.33Å; E142-K217 WeakPolarHBondContact O-CG 3.41Å; E142-K217 PolarHBondContact O-N 3.05Å; E142-K217 VanDerWaalsContact O-O 3.12Å; E142-K217 WeakPolarHBondContact OE1-CE 3.48Å; E142-K217 IonicContact OE1-NZ 3.72Å; E142-K217 PolarHBondContact OE1-NZ 3.41Å; E142-Y219 HydrophobicContact CG-CE1 4.11Å; E142-Y219 WeakPolarHBondContact OE1-CE1 3.27Å; E142-Y219 PolarHBondContact OE1-OH 2.82Å; E142-Y219 PolarHBondContact OE2-OH 2.97Å
143	G	96.9	Very high	94.7	Very high	3 Å²	3	57.7 Å²	57.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	147.1	173.2	0	0	0	0	0	111.2	T145 S149 W215 K217	G143-T145 VanDerWaalsContact C-N 3.28Å; G143-T145 PolarHBondContact O-N 3.33Å; G143-S149 WeakPolarHBondContact CA-OG 3.39Å; G143-S149 PolarHBondContact N-OG 3.44Å; G143-W215 CarbonylContact C-O 3.54Å; G143-W215 WeakPolarHBondContact CA-O 3.23Å; G143-K217 WeakPolarHBondContact O-CE 3.37Å
144	L	96	Very high	94.9	Very high	63 Å²	63	54.7 Å²	54.7	33%	0.33	28%	0.283	S	S	.	.	S	Bend	trans	-61.6	-42.7	176.5	-174.4	61.3	0	0	0	110.5	W215 K217 I229 V237	L144-W215 HydrophobicContact CB-CB 3.63Å; L144-W215 HydrophobicContact CD2-CB 3.94Å; L144-W215 HydrophobicContact CD2-CD2 4.26Å; L144-W215 HydrophobicContact CD2-CE3 3.92Å; L144-W215 HydrophobicContact CD2-CG 4.32Å; L144-W215 HydrophobicContact CG-CB 4.45Å; L144-W215 PolarHBondContact N-O 2.93Å; L144-K217 HydrophobicContact CD1-CB 4.37Å; L144-K217 HydrophobicContact CD1-CD 4.08Å; L144-I229 HydrophobicContact CD1-CG2 4.33Å; L144-V237 HydrophobicContact CD2-CG1 4.5Å
145	T	96.9	Very high	95.2	Very high	72 Å²	72	51.7 Å²	51.7	44%	0.442	27%	0.273	S	S	.	.	S	Bend	trans	-110.2	171.3	171.9	72.4	0	0	0	0	111.8	G143 L147 D148 S149	G143-T145 VanDerWaalsContact C-N 3.28Å; G143-T145 PolarHBondContact O-N 3.33Å; T145-L147 VanDerWaalsContact C-N 3.27Å; T145-L147 PolarHBondContact O-N 3.41Å; T145-L147 PolarHBondContact OG1-N 3.13Å; T145-D148 WeakPolarHBondContact CB-OD2 3.26Å; T145-D148 WeakPolarHBondContact CG2-OD2 3.45Å; T145-D148 PolarHBondContact N-OD2 3.22Å; T145-D148 PolarHBondContact O-N 3.48Å; T145-D148 PolarHBondContact OG1-N 2.87Å; T145-D148 PolarHBondContact OG1-OD2 2.89Å; T145-S149 PolarHBondContact O-N 3Å; T145-S149 PolarHBondContact O-OG 3.13Å
146	K	95.9	Very high	95.6	Very high	171 Å²	171	47 Å²	47	74%	0.743	24%	0.244	S	C	*	.	H	α-helix	trans	-60	-40.1	171.9	-172	177.7	178.8	-177.3	0	111.5	S149 D150	K146-S149 WeakPolarHBondContact O-CB 3.41Å; K146-S149 PolarHBondContact O-N 2.83Å; K146-D150 VanDerWaalsContact O-CG 3.26Å; K146-D150 PolarHBondContact O-N 3.22Å
147	L	96.2	Very high	95.8	Very high	93 Å²	93	45.1 Å²	45.1	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-43.7	178.3	-172.6	67.3	0	0	0	111.8	T145 S149 D150 Y151	T145-L147 VanDerWaalsContact C-N 3.27Å; T145-L147 PolarHBondContact O-N 3.41Å; T145-L147 PolarHBondContact OG1-N 3.13Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 3.13Å; L147-D150 PolarHBondContact O-N 3.34Å; L147-Y151 HydrophobicContact CD1-CE1 3.84Å; L147-Y151 HydrophobicContact CD1-CE2 4.01Å; L147-Y151 WeakPolarHBondContact CD1-OH 3.3Å; L147-Y151 HydrophobicContact CD2-CE2 4.05Å; L147-Y151 HydrophobicContact CG-CD2 4.25Å; L147-Y151 HydrophobicContact CG-CE1 4.36Å; L147-Y151 HydrophobicContact CG-CE2 3.71Å; L147-Y151 PolarHBondContact O-N 3.3Å
148	D	97.1	Very high	95.8	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-39.6	175.4	-62.8	-61.5	0	0	0	111.2	T145 D150 Y151 L152 I214 W215	T145-D148 WeakPolarHBondContact CB-OD2 3.26Å; T145-D148 WeakPolarHBondContact CG2-OD2 3.45Å; T145-D148 PolarHBondContact N-OD2 3.22Å; T145-D148 PolarHBondContact O-N 3.48Å; T145-D148 PolarHBondContact OG1-N 2.87Å; T145-D148 PolarHBondContact OG1-OD2 2.89Å; D148-D150 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 3.25Å; D148-Y151 PolarHBondContact O-N 3.33Å; D148-Y151 VanDerWaalsContact O-N 3.15Å; D148-L152 WeakPolarHBondContact O-CB 3.37Å; D148-L152 PolarHBondContact O-N 2.98Å; D148-I214 HydrophobicContact CB-CG2 3.99Å; D148-W215 WeakPolarHBondContact CB-O 3.41Å; D148-W215 PolarHBondContact OD1-N 3.2Å
149	S	95.8	Very high	95.7	Very high	49 Å²	49	44.9 Å²	44.9	34%	0.343	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-39.3	178	-58.3	0	0	0	0	111.4	G143 T145 K146 L147 Y151 L152	G143-S149 WeakPolarHBondContact CA-OG 3.39Å; G143-S149 PolarHBondContact N-OG 3.44Å; T145-S149 PolarHBondContact O-N 3Å; T145-S149 PolarHBondContact O-OG 3.13Å; K146-S149 WeakPolarHBondContact O-CB 3.41Å; K146-S149 PolarHBondContact O-N 2.83Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 3.13Å; S149-Y151 VanDerWaalsContact C-N 3.27Å; S149-Y151 PolarHBondContact O-N 3.45Å; S149-L152 PolarHBondContact O-N 3.06Å
150	D	95.6	Very high	95.4	Very high	113 Å²	113	45.7 Å²	45.7	60%	0.604	24%	0.238	S	C	*	.	H	α-helix	trans	-67.3	-28.7	175.4	-63.4	-23.8	0	0	0	111.9	K146 L147 D148	K146-D150 VanDerWaalsContact O-CG 3.26Å; K146-D150 PolarHBondContact O-N 3.22Å; L147-D150 PolarHBondContact O-N 3.34Å; D148-D150 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 3.25Å
151	Y	96.7	Very high	94.9	Very high	58 Å²	58	44 Å²	44	23%	0.227	23%	0.233	C	C	.	.	H	α-helix	trans	-86.9	-21.2	179.4	-68.1	-8.2	0	0	0	114.1	L147 D148 S149 G153 P208 K209 V212 I214	L147-Y151 HydrophobicContact CD1-CE1 3.84Å; L147-Y151 HydrophobicContact CD1-CE2 4.01Å; L147-Y151 WeakPolarHBondContact CD1-OH 3.3Å; L147-Y151 HydrophobicContact CD2-CE2 4.05Å; L147-Y151 HydrophobicContact CG-CD2 4.25Å; L147-Y151 HydrophobicContact CG-CE1 4.36Å; L147-Y151 HydrophobicContact CG-CE2 3.71Å; L147-Y151 PolarHBondContact O-N 3.3Å; D148-Y151 PolarHBondContact O-N 3.33Å; D148-Y151 VanDerWaalsContact O-N 3.15Å; S149-Y151 VanDerWaalsContact C-N 3.27Å; S149-Y151 PolarHBondContact O-N 3.45Å; Y151-G153 VanDerWaalsContact C-N 3.29Å; Y151-G153 PolarHBondContact O-N 2.04Å; Y151-P208 CarbonylContact O-C 3.45Å; Y151-P208 WeakPolarHBondContact O-CA 3.35Å; Y151-K209 HydrophobicContact CD1-CB 4.34Å; Y151-K209 HydrophobicContact CD1-CD 3.43Å; Y151-K209 VanDerWaalsContact CD1-CD 3.43Å; Y151-K209 HydrophobicContact CD2-CD 4.27Å; Y151-K209 HydrophobicContact CE1-CD 3.57Å; Y151-K209 HydrophobicContact CE2-CD 4.35Å; Y151-K209 HydrophobicContact CG-CB 4.16Å; Y151-K209 HydrophobicContact CG-CD 3.82Å; Y151-K209 PolarHBondContact O-N 2.98Å; Y151-K209 PolarHBondContact OH-NZ 3.01Å; Y151-V212 HydrophobicContact CD2-CB 4.41Å; Y151-V212 HydrophobicContact CD2-CG2 3.85Å; Y151-V212 HydrophobicContact CE2-CB 4.5Å; Y151-V212 HydrophobicContact CE2-CG2 4.33Å; Y151-V212 HydrophobicContact CG-CG2 4.35Å; Y151-I214 WeakPolarHBondContact O-CD1 3.47Å
152	L	94.1	Very high	94.4	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-71.9	-23.4	-173.4	-167.2	55.2	0	0	0	113.6	D148 S149 I155 F205 I214 I216 I240	D148-L152 WeakPolarHBondContact O-CB 3.37Å; D148-L152 PolarHBondContact O-N 2.98Å; S149-L152 PolarHBondContact O-N 3.06Å; L152-I155 HydrophobicContact CD2-CD1 3.5Å; L152-I155 VanDerWaalsContact CD2-CD1 3.5Å; L152-I155 HydrophobicContact CD2-CG1 3.94Å; L152-I155 HydrophobicContact CG-CD1 4.25Å; L152-I155 HydrophobicContact CG-CG1 4.14Å; L152-F205 HydrophobicContact CD1-CD1 3.4Å; L152-F205 VanDerWaalsContact CD1-CD1 3.4Å; L152-F205 HydrophobicContact CD1-CE1 3.63Å; L152-F205 HydrophobicContact CD1-CG 4Å; L152-F205 HydrophobicContact CD1-CZ 4.35Å; L152-F205 HydrophobicContact CD2-CD1 4.2Å; L152-F205 HydrophobicContact CD2-CE1 3.87Å; L152-F205 HydrophobicContact CG-CD1 3.72Å; L152-F205 HydrophobicContact CG-CE1 3.91Å; L152-I214 HydrophobicContact CB-CG2 4.41Å; L152-I214 HydrophobicContact CD1-CG2 4.15Å; L152-I216 HydrophobicContact CD1-CD1 3.49Å; L152-I216 VanDerWaalsContact CD1-CD1 3.49Å; L152-I216 HydrophobicContact CD1-CG1 3.68Å; L152-I216 HydrophobicContact CD2-CG1 4.19Å; L152-I216 HydrophobicContact CD2-CG2 4.48Å; L152-I240 HydrophobicContact CD1-CD1 4.19Å
153	G	91.4	Very high	93.7	Very high	41 Å²	41	43.6 Å²	43.6	42%	0.423	23%	0.232	S	C	.	.			trans	72.9	-148.3	-176	0	0	0	0	0	112.4	Y151	Y151-G153 VanDerWaalsContact C-N 3.29Å; Y151-G153 PolarHBondContact O-N 2.04Å
154	K	93.7	Very high	92.7	Very high	105 Å²	105	50.7 Å²	50.7	46%	0.457	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.7	-179.4	-174.4	-175.2	-172.6	-160.8	0	109.7	C176 H206	K154-C176 WeakPolarHBondContact CE-SG 3.28Å; K154-C176 PolarHBondContact NZ-O 2.8Å; K154-C176 PolarHBondContact NZ-SG 2.95Å; K154-H206 HydrophobicContact CB-CB 4.14Å; K154-H206 PolarHBondContact N-O 3.25Å; K154-H206 WeakPolarHBondContact O-CB 3.3Å; K154-H206 PolarHBondContact O-N 2.77Å
155	I	95.5	Very high	91.4	Very high	33 Å²	33	51 Å²	51	17%	0.169	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.5	175.9	-46	172.7	0	0	0	109	C141 L152 Y157 V203 F205	C141-I155 HydrophobicContact CB-CD1 4.38Å; C141-I155 WeakPolarHBondContact O-CD1 3.37Å; L152-I155 HydrophobicContact CD2-CD1 3.5Å; L152-I155 VanDerWaalsContact CD2-CD1 3.5Å; L152-I155 HydrophobicContact CD2-CG1 3.94Å; L152-I155 HydrophobicContact CG-CD1 4.25Å; L152-I155 HydrophobicContact CG-CG1 4.14Å; I155-Y157 HydrophobicContact CB-CE2 4.26Å; I155-Y157 HydrophobicContact CG2-CD2 4.48Å; I155-Y157 HydrophobicContact CG2-CE1 4.21Å; I155-Y157 HydrophobicContact CG2-CE2 3.79Å; I155-V203 HydrophobicContact CG2-CG1 3.56Å; I155-F205 HydrophobicContact CB-CD1 4.47Å; I155-F205 HydrophobicContact CB-CE1 4.48Å; I155-F205 HydrophobicContact CD1-CE1 4.24Å; I155-F205 HydrophobicContact CG1-CD1 3.99Å; I155-F205 HydrophobicContact CG1-CE1 3.99Å; I155-F205 HydrophobicContact CG2-CD1 4.13Å; I155-F205 HydrophobicContact CG2-CE1 3.84Å
156	C	95.1	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.4	175.6	-54.4	0	0	0	0	110	Y158 C176 V203 H204 H206	C156-Y158 HydrophobicContact CB-CE1 4.1Å; C156-Y158 HydrophobicContact CB-CE2 4.4Å; C156-Y158 WeakPolarHBondContact CB-OH 3.4Å; C156-C176 WeakPolarHBondContact CA-SG 3.47Å; C156-C176 HydrophobicContact CB-CB 3.61Å; C156-C176 WeakPolarHBondContact CB-SG 3.37Å; C156-C176 WeakPolarHBondContact SG-CB 3.47Å; C156-C176 CovalentContact SG-SG 1.99Å; C156-C176 PolarHBondContact SG-SG 3.17Å; C156-V203 WeakPolarHBondContact O-CA 3.32Å; C156-H204 HydrophobicContact CB-CB 4.22Å; C156-H204 PolarHBondContact N-O 3.35Å; C156-H204 PolarHBondContact O-N 3.34Å; C156-H206 PolarHBondContact SG-CD2 3Å; C156-H206 PolarHBondContact SG-NE2 3.04Å
157	Y	95.7	Very high	88.6	Confident	5 Å²	5	48.8 Å²	48.8	2%	0.02	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.2	-179.4	-58.5	-91.7	0	0	0	109.9	C141 I155 N179 V201 F202 V203	C141-Y157 WeakPolarHBondContact CA-OH 3.45Å; C141-Y157 HydrophobicContact CB-CE1 4.31Å; C141-Y157 WeakPolarHBondContact CB-OH 3.47Å; C141-Y157 PolarHBondContact N-OH 3.19Å; C141-Y157 PolarHBondContact O-OH 2.96Å; C141-Y157 VanDerWaalsContact O-OH 3.13Å; I155-Y157 HydrophobicContact CB-CE2 4.26Å; I155-Y157 HydrophobicContact CG2-CD2 4.48Å; I155-Y157 HydrophobicContact CG2-CE1 4.21Å; I155-Y157 HydrophobicContact CG2-CE2 3.79Å; Y157-N179 WeakPolarHBondContact CE2-O 3.38Å; Y157-V201 HydrophobicContact CD1-CG1 4.1Å; Y157-F202 CarbonylContact C-O 3.57Å; Y157-F202 WeakPolarHBondContact CA-O 3.48Å; Y157-V203 HydrophobicContact CD1-CG2 3.87Å; Y157-V203 HydrophobicContact CE1-CG1 4.22Å; Y157-V203 HydrophobicContact CE1-CG2 3.99Å
158	Y	94.5	Very high	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.1	175.1	-39.2	-64	0	0	0	110.8	A97 S98 P100 C101 C156 W175 F202 H204	A97-Y158 WeakPolarHBondContact O-CB 3.4Å; S98-Y158 VanDerWaalsContact O-CD2 3.29Å; S98-Y158 WeakPolarHBondContact O-CD2 3.47Å; P100-Y158 HydrophobicContact CG-CD2 4.42Å; P100-Y158 HydrophobicContact CG-CE1 4.13Å; P100-Y158 HydrophobicContact CG-CE2 3.56Å; P100-Y158 WeakPolarHBondContact CG-OH 3.48Å; C101-Y158 HydrophobicContact CB-CD2 4.28Å; C101-Y158 VanDerWaalsContact SG-CD2 3.51Å; C101-Y158 WeakPolarHBondContact SG-CE2 3.35Å; C156-Y158 HydrophobicContact CB-CE1 4.1Å; C156-Y158 HydrophobicContact CB-CE2 4.4Å; C156-Y158 WeakPolarHBondContact CB-OH 3.4Å; Y158-W175 HydrophobicContact CD1-CB 4.02Å; Y158-W175 HydrophobicContact CD1-CE3 4.16Å; Y158-W175 HydrophobicContact CE1-CB 3.53Å; Y158-F202 HydrophobicContact CD2-CB 4.1Å; Y158-F202 PolarHBondContact N-O 3.33Å; Y158-F202 PolarHBondContact O-N 3.05Å; Y158-H204 HydrophobicContact CD2-CB 4.41Å; Y158-H204 HydrophobicContact CE2-CB 3.55Å; Y158-H204 AromaticContact CE2-ND1 3.71Å; Y158-H204 AromaticContact CZ-ND1 3.95Å; Y158-H204 PolarHBondContact OH-ND1 3.33Å
159	D	93.7	Very high	85.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.			trans	-150.4	-176.2	-172.7	56.6	50.7	0	0	0	109.9	A97 D161 S162 K178 G181 I182 V201	A97-D159 WeakPolarHBondContact CB-O 3.17Å; D159-D161 PolarHBondContact O-N 2.99Å; D159-D161 VanDerWaalsContact O-N 3.13Å; D159-D161 WeakPolarHBondContact OD1-CA 3.06Å; D159-D161 VanDerWaalsContact OD1-CB 3.26Å; D159-D161 WeakPolarHBondContact OD1-CB 3.44Å; D159-D161 PolarHBondContact OD1-N 3.05Å; D159-S162 PolarHBondContact N-OG 2.93Å; D159-S162 WeakPolarHBondContact O-CA 3.4Å; D159-S162 WeakPolarHBondContact O-CB 3.39Å; D159-S162 PolarHBondContact O-N 3.24Å; D159-S162 PolarHBondContact O-OG 3.2Å; D159-S162 PolarHBondContact OD1-N 2.88Å; D159-K178 IonicContact OD1-NZ 3.88Å; D159-K178 PolarHBondContact OD1-NZ 3.42Å; D159-K178 IonicContact OD2-NZ 2.73Å; D159-G181 WeakPolarHBondContact OD2-CA 3.22Å; D159-I182 WeakPolarHBondContact CB-O 3.5Å; D159-I182 PolarHBondContact OD2-N 2.86Å; D159-V201 HydrophobicContact CB-CG2 4.24Å
160	T	90.7	Very high	84.3	Confident	17 Å²	17	59.8 Å²	59.8	10%	0.104	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-55.6	-32.4	-178.5	49.6	0	0	0	0	113.7	F93 S162 L163 M186 F187	F93-T160 HydrophobicContact CD2-CG2 3.8Å; F93-T160 HydrophobicContact CE2-CG2 3.51Å; F93-T160 HydrophobicContact CZ-CG2 4.27Å; T160-S162 PolarHBondContact O-N 2.97Å; T160-L163 WeakPolarHBondContact O-CB 3.42Å; T160-L163 PolarHBondContact O-N 3Å; T160-M186 HydrophobicContact CG2-CE 4.48Å; T160-F187 HydrophobicContact CG2-CE2 3.8Å; T160-F187 HydrophobicContact CG2-CZ 3.93Å
161	D	87.7	Confident	83	Confident	36 Å²	36	58.1 Å²	58.1	19%	0.193	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-73.3	-19.7	178.1	-177	72.1	0	0	0	111.9	D159 L163 K164 K178 I182	D159-D161 PolarHBondContact O-N 2.99Å; D159-D161 VanDerWaalsContact O-N 3.13Å; D159-D161 WeakPolarHBondContact OD1-CA 3.06Å; D159-D161 VanDerWaalsContact OD1-CB 3.26Å; D159-D161 WeakPolarHBondContact OD1-CB 3.44Å; D159-D161 PolarHBondContact OD1-N 3.05Å; D161-L163 PolarHBondContact O-N 2.83Å; D161-K164 WeakPolarHBondContact O-CB 3.05Å; D161-K164 WeakPolarHBondContact O-CG 3.28Å; D161-K164 PolarHBondContact O-N 2.98Å; D161-K164 VanDerWaalsContact OD1-CD 3.27Å; D161-K164 WeakPolarHBondContact OD1-CD 3.49Å; D161-K164 WeakPolarHBondContact OD1-CE 3.45Å; D161-K164 IonicContact OD1-NZ 3.5Å; D161-K164 PolarHBondContact OD1-NZ 3.47Å; D161-K178 VanDerWaalsContact CB-NZ 3.33Å; D161-K178 VanDerWaalsContact OD2-CE 3.26Å; D161-K178 WeakPolarHBondContact OD2-CE 3.32Å; D161-K178 IonicContact OD2-NZ 2.83Å; D161-K178 PolarHBondContact OD2-NZ 2.91Å; D161-I182 HydrophobicContact CB-CD1 4.04Å
162	S	85.7	Confident	81.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-65.8	-19.6	172.9	-58.4	0	0	0	0	113.5	D159 T160 K164 Y165	D159-S162 PolarHBondContact N-OG 2.93Å; D159-S162 WeakPolarHBondContact O-CA 3.4Å; D159-S162 WeakPolarHBondContact O-CB 3.39Å; D159-S162 PolarHBondContact O-N 3.24Å; D159-S162 PolarHBondContact O-OG 3.2Å; D159-S162 PolarHBondContact OD1-N 2.88Å; T160-S162 PolarHBondContact O-N 2.97Å; S162-K164 PolarHBondContact O-N 2.61Å; S162-Y165 WeakPolarHBondContact O-CA 3.3Å; S162-Y165 WeakPolarHBondContact O-CB 3.49Å; S162-Y165 PolarHBondContact O-N 3.19Å
163	L	82.7	Confident	80.8	Confident	41 Å²	41	64.7 Å²	64.7	22%	0.215	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.9	-25.1	172.6	-69.8	170.2	0	0	0	113.1	N94 D96 A97 T160 D161 Y165 H166	N94-L163 HydrophobicContact CB-CD1 4.01Å; D96-L163 HydrophobicContact CB-CD2 3.82Å; A97-L163 HydrophobicContact CB-CD1 4.18Å; A97-L163 HydrophobicContact CB-CD2 4.09Å; A97-L163 HydrophobicContact CB-CG 3.84Å; A97-L163 VanDerWaalsContact N-CD2 3.35Å; T160-L163 WeakPolarHBondContact O-CB 3.42Å; T160-L163 PolarHBondContact O-N 3Å; D161-L163 PolarHBondContact O-N 2.83Å; L163-Y165 PolarHBondContact O-N 3.38Å; L163-Y165 VanDerWaalsContact O-N 3.12Å; L163-H166 HydrophobicContact CD2-CB 4.42Å; L163-H166 WeakPolarHBondContact O-CB 3.42Å; L163-H166 PolarHBondContact O-N 3.39Å
164	K	76.2	Confident	80	Confident	153 Å²	153	65.9 Å²	65.9	67%	0.665	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-61.6	-20.1	172.8	-63.7	177.6	-179.2	168.3	0	112.7	D161 S162	D161-K164 WeakPolarHBondContact O-CB 3.05Å; D161-K164 WeakPolarHBondContact O-CG 3.28Å; D161-K164 PolarHBondContact O-N 2.98Å; D161-K164 VanDerWaalsContact OD1-CD 3.27Å; D161-K164 WeakPolarHBondContact OD1-CD 3.49Å; D161-K164 WeakPolarHBondContact OD1-CE 3.45Å; D161-K164 IonicContact OD1-NZ 3.5Å; D161-K164 PolarHBondContact OD1-NZ 3.47Å; S162-K164 PolarHBondContact O-N 2.61Å
165	Y	69.3	Low	79.4	Confident	68 Å²	68	61.9 Å²	61.9	27%	0.267	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-102.3	4.3	176.7	-55.3	-92.3	0	0	0	112.4	S162 L163 N167 K170 N177	S162-Y165 WeakPolarHBondContact O-CA 3.3Å; S162-Y165 WeakPolarHBondContact O-CB 3.49Å; S162-Y165 PolarHBondContact O-N 3.19Å; L163-Y165 PolarHBondContact O-N 3.38Å; L163-Y165 VanDerWaalsContact O-N 3.12Å; Y165-N167 PolarHBondContact O-N 3.45Å; Y165-K170 WeakPolarHBondContact O-CD 3.48Å; Y165-N177 WeakPolarHBondContact CE1-ND2 3.33Å; Y165-N177 VanDerWaalsContact CZ-ND2 3.25Å; Y165-N177 PolarHBondContact OH-ND2 3.17Å
166	H	65.7	Low	79	Confident	94 Å²	94	60.7 Å²	60.7	44%	0.435	31%	0.311	S	S	.	.			trans	-74.8	75.2	178.6	-172.6	-83.5	0	0	0	111.2	L163 W175	L163-H166 HydrophobicContact CD2-CB 4.42Å; L163-H166 WeakPolarHBondContact O-CB 3.42Å; L163-H166 PolarHBondContact O-N 3.39Å; H166-W175 HydrophobicContact CB-CH2 3.94Å; H166-W175 HydrophobicContact CB-CZ2 4.16Å; H166-W175 AromaticContact CD2-CH2 3.84Å
167	N	67.4	Low	78.6	Confident	103 Å²	103	64.4 Å²	64.4	55%	0.551	33%	0.331	S	S	*	.			trans	-122.5	141.4	168.1	-73.4	-4	0	0	0	108.9	Y165 L169 K170	Y165-N167 PolarHBondContact O-N 3.45Å; N167-L169 PolarHBondContact O-N 3.26Å; N167-K170 PolarHBondContact O-N 2.68Å; N167-K170 VanDerWaalsContact O-N 3.13Å
168	T	62.1	Low	78.2	Confident	147 Å²	147	65.2 Å²	65.2	90%	0.902	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-11.4	-177.8	51.5	0	0	0	0	115.1
169	L	67.4	Low	78.1	Confident	161 Å²	161	71.8 Å²	71.8	84%	0.843	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-6.5	-177.4	-63.4	172.8	0	0	0	114	N167	N167-L169 PolarHBondContact O-N 3.26Å
170	K	68.3	Low	78.2	Confident	76 Å²	76	75.4 Å²	75.4	33%	0.33	38%	0.384	S	S	.	.			trans	-91	136.8	-175.3	-78	-177	176.6	173.9	0	111.6	Y165 N167 D174	Y165-K170 WeakPolarHBondContact O-CD 3.48Å; N167-K170 PolarHBondContact O-N 2.68Å; N167-K170 VanDerWaalsContact O-N 3.13Å; K170-D174 WeakPolarHBondContact CA-OD2 3.42Å; K170-D174 HydrophobicContact CB-CB 3.94Å; K170-D174 HydrophobicContact CD-CB 4.18Å; K170-D174 HydrophobicContact CG-CB 4.12Å
171	T	70.2	Confident	78.4	Confident	78 Å²	78	74.6 Å²	74.6	48%	0.479	38%	0.379	S	S	.	.			trans	-85.9	163	179.5	63.1	0	0	0	0	111.2	I173 D174	T171-I173 PolarHBondContact O-N 3.04Å; T171-D174 PolarHBondContact N-OD2 3.47Å; T171-D174 WeakPolarHBondContact O-CB 3.34Å; T171-D174 PolarHBondContact O-N 3.34Å; T171-D174 PolarHBondContact OG1-OD2 3.34Å
172	D	69.4	Low	78.7	Confident	73 Å²	73	73.6 Å²	73.6	39%	0.39	37%	0.374	S	S	.	.	H	α-helix	trans	-51.8	-29.5	177.1	-68.1	-7.9	0	0	0	113.8	D174 W175 C176	D172-D174 VanDerWaalsContact C-N 3.32Å; D172-W175 PolarHBondContact O-N 2.63Å; D172-C176 PolarHBondContact O-N 3.06Å
173	I	74	Confident	79.2	Confident	126 Å²	126	73.6 Å²	73.6	65%	0.646	37%	0.373	S	S	*	.	H	α-helix	trans	-66.3	-37.1	178.1	-64.7	162.6	0	0	0	110.9	T171 W175 C176	T171-I173 PolarHBondContact O-N 3.04Å; I173-W175 VanDerWaalsContact C-N 3.29Å; I173-W175 PolarHBondContact O-N 2.68Å; I173-C176 CarbonylContact O-C 3.6Å; I173-C176 PolarHBondContact O-N 2.01Å; I173-C176 VanDerWaalsContact O-N 3.11Å
174	D	75.9	Confident	79.6	Confident	66 Å²	66	73.1 Å²	73.1	35%	0.353	37%	0.371	S	S	.	.	H	α-helix	trans	-68.7	-31.5	-179.4	-60.1	-48.7	0	0	0	111.9	K170 T171 D172 C176	K170-D174 WeakPolarHBondContact CA-OD2 3.42Å; K170-D174 HydrophobicContact CB-CB 3.94Å; K170-D174 HydrophobicContact CD-CB 4.18Å; K170-D174 HydrophobicContact CG-CB 4.12Å; T171-D174 PolarHBondContact N-OD2 3.47Å; T171-D174 WeakPolarHBondContact O-CB 3.34Å; T171-D174 PolarHBondContact O-N 3.34Å; T171-D174 PolarHBondContact OG1-OD2 3.34Å; D172-D174 VanDerWaalsContact C-N 3.32Å; D174-C176 VanDerWaalsContact C-N 3.3Å
175	W	79.8	Confident	80.2	Confident	21 Å²	21	67.4 Å²	67.4	8%	0.08	35%	0.35	C	S	.	.	H	α-helix	trans	-73.2	-25.1	173.8	-71.1	77.7	0	0	0	112.2	Y158 H166 D172 I173 N177	Y158-W175 HydrophobicContact CD1-CB 4.02Å; Y158-W175 HydrophobicContact CD1-CE3 4.16Å; Y158-W175 HydrophobicContact CE1-CB 3.53Å; H166-W175 HydrophobicContact CB-CH2 3.94Å; H166-W175 HydrophobicContact CB-CZ2 4.16Å; H166-W175 AromaticContact CD2-CH2 3.84Å; D172-W175 PolarHBondContact O-N 2.63Å; I173-W175 VanDerWaalsContact C-N 3.29Å; I173-W175 PolarHBondContact O-N 2.68Å; W175-N177 PolarHBondContact O-N 3.34Å
176	C	88.3	Confident	81.2	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.061	34%	0.344	C	S	.	.			trans	-98.7	60.8	-176.7	-172.4	0	0	0	0	112.5	K154 C156 D172 I173 D174	K154-C176 WeakPolarHBondContact CE-SG 3.28Å; K154-C176 PolarHBondContact NZ-O 2.8Å; K154-C176 PolarHBondContact NZ-SG 2.95Å; C156-C176 WeakPolarHBondContact CA-SG 3.47Å; C156-C176 HydrophobicContact CB-CB 3.61Å; C156-C176 WeakPolarHBondContact CB-SG 3.37Å; C156-C176 WeakPolarHBondContact SG-CB 3.47Å; C156-C176 CovalentContact SG-SG 1.99Å; C156-C176 PolarHBondContact SG-SG 3.17Å; D172-C176 PolarHBondContact O-N 3.06Å; I173-C176 CarbonylContact O-C 3.6Å; I173-C176 PolarHBondContact O-N 2.01Å; I173-C176 VanDerWaalsContact O-N 3.11Å; D174-C176 VanDerWaalsContact C-N 3.3Å
177	N	84.9	Confident	82.4	Confident	77 Å²	77	61.4 Å²	61.4	41%	0.412	33%	0.325	S	S	.	.			trans	-114.8	-2.5	-177	66.5	-5.7	0	0	0	114.4	Y165 W175	Y165-N177 WeakPolarHBondContact CE1-ND2 3.33Å; Y165-N177 VanDerWaalsContact CZ-ND2 3.25Å; Y165-N177 PolarHBondContact OH-ND2 3.17Å; W175-N177 PolarHBondContact O-N 3.34Å
178	K	89.1	Confident	83.6	Confident	22 Å²	22	57.5 Å²	57.5	10%	0.096	30%	0.303	C	S	.	.			trans	-107.4	147.3	179.4	-53.8	-179.2	-159	170.3	0	111.7	D159 D161 Y180	D159-K178 IonicContact OD1-NZ 3.88Å; D159-K178 PolarHBondContact OD1-NZ 3.42Å; D159-K178 IonicContact OD2-NZ 2.73Å; D161-K178 VanDerWaalsContact CB-NZ 3.33Å; D161-K178 VanDerWaalsContact OD2-CE 3.26Å; D161-K178 WeakPolarHBondContact OD2-CE 3.32Å; D161-K178 IonicContact OD2-NZ 2.83Å; D161-K178 PolarHBondContact OD2-NZ 2.91Å; K178-Y180 WeakPolarHBondContact CB-O 3.47Å
179	N	91.8	Very high	85	Confident	139 Å²	139	51.3 Å²	51.3	74%	0.743	27%	0.265	S	S	*	.	S	Bend	trans	-92.7	-2.9	176	-65.9	-27.3	0	0	0	113.4	Y157	Y157-N179 WeakPolarHBondContact CE2-O 3.38Å
180	Y	94.7	Very high	86.2	Confident	75 Å²	75	45.8 Å²	45.8	29%	0.294	23%	0.233	S	C	.	.	S	Bend	trans	-149.5	153.6	-179.1	49.1	-98.1	0	0	0	109.1	Y134 L138 L139 K178 I182	Y134-Y180 HydrophobicContact CE1-CE1 4.26Å; Y134-Y180 HydrophobicContact CE1-CE2 4.45Å; Y134-Y180 AromaticContact CE1-CZ 3.88Å; L138-Y180 HydrophobicContact CB-CD2 4.31Å; L138-Y180 HydrophobicContact CB-CG 4.43Å; L138-Y180 HydrophobicContact CD1-CD2 4.33Å; L138-Y180 HydrophobicContact CD1-CE2 4.5Å; L138-Y180 HydrophobicContact CD1-CG 4.39Å; L138-Y180 HydrophobicContact CD2-CD2 3.79Å; L138-Y180 HydrophobicContact CD2-CE2 3.88Å; L138-Y180 HydrophobicContact CG-CD2 4.36Å; L139-Y180 CarbonylContact O-C 3.5Å; L139-Y180 VanDerWaalsContact O-CA 3.27Å; L139-Y180 WeakPolarHBondContact O-CA 3.06Å; L139-Y180 WeakPolarHBondContact O-CB 3.27Å; K178-Y180 WeakPolarHBondContact CB-O 3.47Å; Y180-I182 HydrophobicContact CD2-CG1 4.16Å; Y180-I182 HydrophobicContact CE2-CD1 4.29Å; Y180-I182 HydrophobicContact CE2-CG1 4.19Å
181	G	95.5	Very high	87.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	161.8	167.7	0	0	0	0	0	111.8	L138 L139 D159	L138-G181 CarbonylContact C-O 3.53Å; L138-G181 VanDerWaalsContact CA-O 3.3Å; L138-G181 WeakPolarHBondContact CA-O 3.26Å; L139-G181 PolarHBondContact N-O 2.84Å; L139-G181 PolarHBondContact O-N 3.22Å; D159-G181 WeakPolarHBondContact OD2-CA 3.22Å
182	I	94.7	Very high	88.3	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.5	-174.2	-65.2	170.2	0	0	0	110.3	H136 L138 D159 D161 Y180	H136-I182 HydrophobicContact CB-CG2 3.48Å; H136-I182 VanDerWaalsContact CB-CG2 3.48Å; L138-I182 HydrophobicContact CD2-CG1 4.31Å; D159-I182 WeakPolarHBondContact CB-O 3.5Å; D159-I182 PolarHBondContact OD2-N 2.86Å; D161-I182 HydrophobicContact CB-CD1 4.04Å; Y180-I182 HydrophobicContact CD2-CG1 4.16Å; Y180-I182 HydrophobicContact CE2-CD1 4.29Å; Y180-I182 HydrophobicContact CE2-CG1 4.19Å
183	Y	94.9	Very high	89.2	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.8	160.4	-62.2	-71	0	0	0	108.6	L29 I118 L120 V137 L139 S185 P199 V201	L29-Y183 HydrophobicContact CD2-CE2 4.34Å; I118-Y183 WeakPolarHBondContact CG2-OH 3.47Å; I118-Y183 PolarHBondContact O-OH 3.2Å; I118-Y183 VanDerWaalsContact O-OH 3.06Å; L120-Y183 HydrophobicContact CB-CE1 4.4Å; L120-Y183 HydrophobicContact CB-CE2 4.42Å; V137-Y183 HydrophobicContact CG1-CD2 4.18Å; V137-Y183 PolarHBondContact N-O 2.88Å; V137-Y183 PolarHBondContact O-N 2.81Å; L139-Y183 HydrophobicContact CB-CD2 4.48Å; L139-Y183 HydrophobicContact CB-CE2 3.86Å; L139-Y183 HydrophobicContact CD1-CE2 4.21Å; L139-Y183 HydrophobicContact CD2-CE2 4.46Å; L139-Y183 HydrophobicContact CG-CE2 4.4Å; Y183-S185 PolarHBondContact O-N 2.83Å; Y183-P199 HydrophobicContact CD1-CB 3.99Å; Y183-P199 HydrophobicContact CD1-CG 3.9Å; Y183-P199 WeakPolarHBondContact CE1-O 3.36Å; Y183-V201 HydrophobicContact CD1-CG2 3.83Å; Y183-V201 HydrophobicContact CD2-CG2 4.41Å; Y183-V201 HydrophobicContact CE1-CB 4.24Å; Y183-V201 HydrophobicContact CE1-CG2 3.58Å; Y183-V201 HydrophobicContact CE2-CG2 4.2Å; Y183-V201 HydrophobicContact CG-CG2 4.24Å
184	D	91.9	Very high	89.8	Confident	32 Å²	32	38.9 Å²	38.9	17%	0.171	21%	0.206	C	C	.	.			trans	-63.8	132.8	-179.3	-160.8	-33.3	0	0	0	111.1	H136 M186 F187	H136-D184 IonicContact CE1-OD1 3.13Å; H136-D184 PolarHBondContact CE1-OD1 3.07Å; H136-D184 VanDerWaalsContact CE1-OD1 3.24Å; H136-D184 IonicContact CE1-OD2 2.83Å; H136-D184 IonicContact ND1-OD1 3.48Å; H136-D184 PolarHBondContact ND1-OD1 2.96Å; H136-D184 VanDerWaalsContact ND1-OD1 3.13Å; D184-M186 HydrophobicContact CB-CE 4.34Å; D184-M186 HydrophobicContact CB-CG 4.01Å; D184-M186 PolarHBondContact O-N 2.85Å; D184-M186 PolarHBondContact OD1-N 2.94Å; D184-F187 HydrophobicContact CB-CD2 3.96Å; D184-F187 HydrophobicContact CB-CE2 4.04Å; D184-F187 PolarHBondContact O-N 3.45Å
185	S	89.9	Confident	90.4	Very high	32 Å²	32	36.4 Å²	36.4	22%	0.224	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-60.7	-24.6	178	-58.8	0	0	0	0	111.9	T135 Y183 F187 Y188	T135-S185 PolarHBondContact O-OG 2.83Å; Y183-S185 PolarHBondContact O-N 2.83Å; S185-F187 PolarHBondContact O-N 2.92Å; S185-Y188 PolarHBondContact O-N 3.27Å
186	M	89.2	Confident	91	Very high	28 Å²	28	35.7 Å²	35.7	14%	0.138	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.6	179.6	72.7	178.6	176.1	0	0	114.1	C78 L85 C91 T160 D184 Y188	C78-M186 HydrophobicContact CB-CG 4.35Å; C78-M186 HydrophobicContact CB-SD 3.61Å; L85-M186 HydrophobicContact CD1-CB 4.19Å; C91-M186 PolarHBondContact SG-O 2.79Å; T160-M186 HydrophobicContact CG2-CE 4.48Å; D184-M186 HydrophobicContact CB-CE 4.34Å; D184-M186 HydrophobicContact CB-CG 4.01Å; D184-M186 PolarHBondContact O-N 2.85Å; D184-M186 PolarHBondContact OD1-N 2.94Å; M186-Y188 PolarHBondContact O-N 3.32Å
187	F	91.8	Very high	91.2	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.035	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-76.8	-10.2	178.6	-68.5	-88.6	0	0	0	113.4	C91 F93 T160 D184 S185 Y196 P199	C91-F187 HydrophobicContact CB-CD1 3.65Å; C91-F187 HydrophobicContact CB-CE1 3.67Å; C91-F187 HydrophobicContact CB-CG 4.32Å; C91-F187 HydrophobicContact CB-CZ 4.38Å; F93-F187 HydrophobicContact CB-CE1 3.9Å; F93-F187 HydrophobicContact CB-CZ 4.16Å; F93-F187 HydrophobicContact CD2-CE1 4.06Å; F93-F187 HydrophobicContact CD2-CE2 4.29Å; F93-F187 AromaticContact CD2-CZ 3.66Å; F93-F187 HydrophobicContact CD2-CZ 3.66Å; F93-F187 HydrophobicContact CG-CE1 4.5Å; F93-F187 HydrophobicContact CG-CZ 4.37Å; T160-F187 HydrophobicContact CG2-CE2 3.8Å; T160-F187 HydrophobicContact CG2-CZ 3.93Å; D184-F187 HydrophobicContact CB-CD2 3.96Å; D184-F187 HydrophobicContact CB-CE2 4.04Å; D184-F187 PolarHBondContact O-N 3.45Å; S185-F187 PolarHBondContact O-N 2.92Å; F187-Y196 WeakPolarHBondContact O-CE2 3.45Å; F187-Y196 PolarHBondContact O-OH 2.88Å; F187-Y196 VanDerWaalsContact O-OH 3.07Å; F187-P199 HydrophobicContact CB-CB 4.26Å; F187-P199 HydrophobicContact CB-CG 3.89Å; F187-P199 HydrophobicContact CD1-CB 4.42Å; F187-P199 HydrophobicContact CD2-CB 3.68Å; F187-P199 HydrophobicContact CD2-CG 4.2Å; F187-P199 HydrophobicContact CE2-CB 4.08Å; F187-P199 HydrophobicContact CG-CB 3.87Å; F187-P199 HydrophobicContact CG-CG 4.06Å
188	Y	91.9	Very high	91.6	Very high	22 Å²	22	31.7 Å²	31.7	9%	0.086	17%	0.172	C	C	.	.			trans	-106.6	148.4	-177.3	-59.5	-81.7	0	0	0	110.7	L120 W126 P128 S185 M186 P199	L120-Y188 HydrophobicContact CD2-CE1 4.24Å; L120-Y188 VanDerWaalsContact CD2-OH 3.23Å; L120-Y188 WeakPolarHBondContact CD2-OH 2.96Å; W126-Y188 AromaticContact CE3-CD1 3.59Å; W126-Y188 HydrophobicContact CE3-CD1 3.59Å; W126-Y188 AromaticContact CE3-CE1 3.77Å; W126-Y188 HydrophobicContact CE3-CE1 3.77Å; W126-Y188 HydrophobicContact CE3-CG 4.21Å; W126-Y188 AromaticContact CZ3-CD1 3.67Å; W126-Y188 HydrophobicContact CZ3-CD1 3.67Å; W126-Y188 HydrophobicContact CZ3-CD2 4.3Å; W126-Y188 AromaticContact CZ3-CE1 3.56Å; W126-Y188 HydrophobicContact CZ3-CE1 3.56Å; W126-Y188 HydrophobicContact CZ3-CE2 4.21Å; W126-Y188 HydrophobicContact CZ3-CG 4.05Å; W126-Y188 AromaticContact CZ3-CZ 3.85Å; P128-Y188 HydrophobicContact CG-CD2 3.89Å; P128-Y188 HydrophobicContact CG-CG 4.22Å; S185-Y188 PolarHBondContact O-N 3.27Å; M186-Y188 PolarHBondContact O-N 3.32Å; Y188-P199 HydrophobicContact CE2-CG 3.94Å; Y188-P199 WeakPolarHBondContact OH-CG 3.23Å
189	P	92.5	Very high	91.9	Very high	17 Å²	17	30.7 Å²	30.7	11%	0.11	17%	0.168	C	C	.	.			cis	-89.1	157.8	8.5	32.2	-29.3	0	0	0	114	W126 L127 L191 Q193	W126-P189 WeakPolarHBondContact O-CB 3.33Å; L127-P189 HydrophobicContact CD2-CB 3.75Å; L127-P189 HydrophobicContact CD2-CG 3.9Å; L127-P189 HydrophobicContact CG-CB 4.25Å; P189-L191 HydrophobicContact CB-CD2 4.19Å; P189-L191 HydrophobicContact CB-CG 4.28Å; P189-L191 HydrophobicContact CG-CD1 4.02Å; P189-L191 HydrophobicContact CG-CD2 4.07Å; P189-L191 HydrophobicContact CG-CG 3.9Å; P189-L191 PolarHBondContact O-N 2.84Å; P189-Q193 PolarHBondContact O-NE2 3.03Å
190	Y	92.4	Very high	92.1	Very high	44 Å²	44	24.1 Å²	24.1	17%	0.173	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-77.7	117.7	163.5	175.6	-114.9	0	0	0	109.7	R122 Y124 G125 N192 Y196	R122-Y190 HydrophobicContact CB-CD1 3.82Å; R122-Y190 HydrophobicContact CB-CE1 4.16Å; R122-Y190 HydrophobicContact CB-CG 4.05Å; R122-Y190 HydrophobicContact CG-CG 4.45Å; Y124-Y190 CarbonylContact C-O 3.52Å; Y124-Y190 WeakPolarHBondContact CA-O 2.99Å; G125-Y190 PolarHBondContact N-O 2.83Å; Y190-N192 PolarHBondContact OH-OD1 3.06Å; Y190-Y196 AromaticContact CD2-CD1 3.57Å; Y190-Y196 HydrophobicContact CD2-CD1 3.57Å; Y190-Y196 AromaticContact CD2-CD2 3.78Å; Y190-Y196 HydrophobicContact CD2-CD2 3.78Å; Y190-Y196 AromaticContact CD2-CE1 3.82Å; Y190-Y196 HydrophobicContact CD2-CE1 3.82Å; Y190-Y196 AromaticContact CD2-CE2 3.99Å; Y190-Y196 HydrophobicContact CD2-CE2 3.99Å; Y190-Y196 AromaticContact CD2-CG 3.56Å; Y190-Y196 HydrophobicContact CD2-CG 3.56Å; Y190-Y196 AromaticContact CE2-CD1 3.98Å; Y190-Y196 HydrophobicContact CE2-CD1 3.98Å; Y190-Y196 AromaticContact CE2-CG 3.97Å; Y190-Y196 HydrophobicContact CE2-CG 3.97Å; Y190-Y196 HydrophobicContact CG-CE1 4.44Å
191	L	91.7	Very high	92.2	Very high	51 Å²	51	20.5 Å²	20.5	27%	0.267	12%	0.118	S	C	.	.			trans	-123.4	28.5	-179.4	-58.9	178	0	0	0	111.7	M87 Y124 P189 Q193	M87-L191 HydrophobicContact CB-CD1 3.9Å; Y124-L191 HydrophobicContact CE1-CD2 4.34Å; Y124-L191 HydrophobicContact CE2-CB 4.44Å; P189-L191 HydrophobicContact CB-CD2 4.19Å; P189-L191 HydrophobicContact CB-CG 4.28Å; P189-L191 HydrophobicContact CG-CD1 4.02Å; P189-L191 HydrophobicContact CG-CD2 4.07Å; P189-L191 HydrophobicContact CG-CG 3.9Å; P189-L191 PolarHBondContact O-N 2.84Å; L191-Q193 HydrophobicContact CB-CG 4.28Å; L191-Q193 PolarHBondContact O-N 2.93Å
192	N	89.3	Confident	92.3	Very high	74 Å²	74	20.5 Å²	20.5	40%	0.396	12%	0.118	S	C	.	.			trans	59.1	32.6	-173.4	-162.3	29.7	0	0	0	112.5	D12 Y124 Y190	D12-N192 VanDerWaalsContact O-CB 3.3Å; D12-N192 WeakPolarHBondContact O-CB 3.4Å; D12-N192 PolarHBondContact O-ND2 3.48Å; Y124-N192 HydrophobicContact CD2-CB 4.46Å; Y124-N192 HydrophobicContact CE2-CB 4.28Å; Y190-N192 PolarHBondContact OH-OD1 3.06Å
193	Q	89.1	Confident	92.4	Very high	22 Å²	22	19.8 Å²	19.8	10%	0.103	12%	0.115	C	C	.	.			trans	-64.9	138.5	178.7	-52.4	99	-38	0	0	110.5	M87 P90 P189 L191 G195 Y196	M87-Q193 WeakPolarHBondContact O-CG 3.43Å; M87-Q193 PolarHBondContact O-NE2 3.23Å; P90-Q193 HydrophobicContact CB-CB 4.27Å; P90-Q193 HydrophobicContact CG-CB 4.07Å; P189-Q193 PolarHBondContact O-NE2 3.03Å; L191-Q193 HydrophobicContact CB-CG 4.28Å; L191-Q193 PolarHBondContact O-N 2.93Å; Q193-G195 PolarHBondContact O-N 3.15Å; Q193-Y196 WeakPolarHBondContact O-CB 3.27Å; Q193-Y196 PolarHBondContact O-N 3.21Å; Q193-Y196 VanDerWaalsContact O-N 3.13Å; Q193-Y196 VanDerWaalsContact OE1-CD2 3.28Å
194	A	87.1	Confident	92.4	Very high	61 Å²	61	20.1 Å²	20.1	50%	0.504	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	130.1	176	0	0	0	0	0	110.3	M74 P90 Y196	M74-A194 HydrophobicContact SD-CB 3.98Å; P90-A194 WeakPolarHBondContact CG-O 3.3Å; A194-Y196 VanDerWaalsContact C-N 3.3Å; A194-Y196 PolarHBondContact O-N 3.48Å
195	G	88.1	Confident	92.6	Very high	15 Å²	15	18.6 Å²	18.6	16%	0.155	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	10.9	-179	0	0	0	0	0	115	Y65 F75 Q193 Q197	Y65-G195 WeakPolarHBondContact OH-CA 3.36Å; F75-G195 WeakPolarHBondContact CE1-O 2.96Å; F75-G195 WeakPolarHBondContact CZ-O 3.49Å; Q193-G195 PolarHBondContact O-N 3.15Å; G195-Q197 PolarHBondContact O-N 2.93Å
196	Y	91.6	Very high	92.7	Very high	6 Å²	6	18.6 Å²	18.6	2%	0.024	10%	0.104	C	C	.	.			trans	-52.5	126.3	179	-179	-85.7	0	0	0	112.3	Y65 P90 R122 F187 Y190 Q193 A194	Y65-Y196 PolarHBondContact OH-O 3.23Å; P90-Y196 HydrophobicContact CB-CD2 3.9Å; P90-Y196 HydrophobicContact CB-CG 4.4Å; R122-Y196 HydrophobicContact CG-CE1 4.12Å; R122-Y196 PolarHBondContact NH2-O 2.99Å; F187-Y196 WeakPolarHBondContact O-CE2 3.45Å; F187-Y196 PolarHBondContact O-OH 2.88Å; F187-Y196 VanDerWaalsContact O-OH 3.07Å; Y190-Y196 AromaticContact CD2-CD1 3.57Å; Y190-Y196 HydrophobicContact CD2-CD1 3.57Å; Y190-Y196 AromaticContact CD2-CD2 3.78Å; Y190-Y196 HydrophobicContact CD2-CD2 3.78Å; Y190-Y196 AromaticContact CD2-CE1 3.82Å; Y190-Y196 HydrophobicContact CD2-CE1 3.82Å; Y190-Y196 AromaticContact CD2-CE2 3.99Å; Y190-Y196 HydrophobicContact CD2-CE2 3.99Å; Y190-Y196 AromaticContact CD2-CG 3.56Å; Y190-Y196 HydrophobicContact CD2-CG 3.56Å; Y190-Y196 AromaticContact CE2-CD1 3.98Å; Y190-Y196 HydrophobicContact CE2-CD1 3.98Å; Y190-Y196 AromaticContact CE2-CG 3.97Å; Y190-Y196 HydrophobicContact CE2-CG 3.97Å; Y190-Y196 HydrophobicContact CG-CE1 4.44Å; Q193-Y196 WeakPolarHBondContact O-CB 3.27Å; Q193-Y196 PolarHBondContact O-N 3.21Å; Q193-Y196 VanDerWaalsContact O-N 3.13Å; Q193-Y196 VanDerWaalsContact OE1-CD2 3.28Å; A194-Y196 VanDerWaalsContact C-N 3.3Å; A194-Y196 PolarHBondContact O-N 3.48Å
197	Q	92.3	Very high	92.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.			trans	-109.1	119.1	177.7	-74.7	179.4	-4	0	0	108.4	Y65 Y66 F75 F93 G195	Y65-Q197 HydrophobicContact CD1-CG 4.44Å; Y65-Q197 HydrophobicContact CE1-CG 3.9Å; Y66-Q197 HydrophobicContact CD1-CB 3.89Å; Y66-Q197 HydrophobicContact CD1-CG 3.82Å; Y66-Q197 HydrophobicContact CE1-CB 3.62Å; Y66-Q197 HydrophobicContact CE1-CG 3.96Å; Y66-Q197 PolarHBondContact O-NE2 3.28Å; F75-Q197 HydrophobicContact CE1-CG 4.27Å; F93-Q197 HydrophobicContact CB-CB 4.38Å; G195-Q197 PolarHBondContact O-N 2.93Å
198	S	93.9	Very high	93.1	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	13%	0.129	C	C	.	.			trans	-71.1	140.5	176.5	-75.8	0	0	0	0	108.9	Y66 R122 L200	Y66-S198 VanDerWaalsContact CE1-O 3.31Å; Y66-S198 WeakPolarHBondContact CE1-O 3.39Å; Y66-S198 PolarHBondContact OH-N 3.17Å; Y66-S198 PolarHBondContact OH-O 2.86Å; R122-S198 WeakPolarHBondContact CG-OG 3.18Å; R122-S198 PolarHBondContact NE-OG 3.35Å; S198-L200 PolarHBondContact O-N 3.48Å
199	P	95	Very high	93.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.144	C	C	.	.			trans	-63.6	138.7	172.5	28.4	-33.1	0	0	0	109.5	F93 Y183 F187 Y188	F93-P199 HydrophobicContact CD2-CB 4.43Å; F93-P199 HydrophobicContact CE2-CB 4.48Å; Y183-P199 HydrophobicContact CD1-CB 3.99Å; Y183-P199 HydrophobicContact CD1-CG 3.9Å; Y183-P199 WeakPolarHBondContact CE1-O 3.36Å; F187-P199 HydrophobicContact CB-CB 4.26Å; F187-P199 HydrophobicContact CB-CG 3.89Å; F187-P199 HydrophobicContact CD1-CB 4.42Å; F187-P199 HydrophobicContact CD2-CB 3.68Å; F187-P199 HydrophobicContact CD2-CG 4.2Å; F187-P199 HydrophobicContact CE2-CB 4.08Å; F187-P199 HydrophobicContact CG-CB 3.87Å; F187-P199 HydrophobicContact CG-CG 4.06Å; Y188-P199 HydrophobicContact CE2-CG 3.94Å; Y188-P199 WeakPolarHBondContact OH-CG 3.23Å
200	L	96.6	Very high	93.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.4	179.5	-56.7	178.6	0	0	0	109.7	F62 L63 Y66 F93 K119 S198 F202	F62-L200 HydrophobicContact CE1-CD1 3.85Å; F62-L200 HydrophobicContact CE1-CD2 3.82Å; F62-L200 HydrophobicContact CZ-CD2 3.93Å; L63-L200 HydrophobicContact CD2-CD1 3.73Å; Y66-L200 HydrophobicContact CD1-CD1 4.43Å; Y66-L200 HydrophobicContact CD2-CD1 4.34Å; Y66-L200 HydrophobicContact CE1-CD1 4.09Å; Y66-L200 HydrophobicContact CE1-CG 4.21Å; Y66-L200 HydrophobicContact CE2-CD1 4.02Å; F93-L200 HydrophobicContact CE1-CB 4.17Å; F93-L200 HydrophobicContact CE1-CD1 4.47Å; F93-L200 HydrophobicContact CE2-CB 4.24Å; F93-L200 VanDerWaalsContact CE2-N 3.29Å; F93-L200 WeakPolarHBondContact CE2-O 3.29Å; F93-L200 HydrophobicContact CZ-CB 3.84Å; F93-L200 WeakPolarHBondContact CZ-O 3.27Å; K119-L200 HydrophobicContact CB-CD2 3.81Å; S198-L200 PolarHBondContact O-N 3.48Å; L200-F202 HydrophobicContact CB-CE2 4.1Å; L200-F202 HydrophobicContact CD1-CE2 4.39Å; L200-F202 HydrophobicContact CD1-CZ 4.2Å
201	V	97.1	Very high	93.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.3	165.1	175.6	0	0	0	0	107.6	I118 L139 Y157 D159 Y183 V203	I118-V201 PolarHBondContact N-O 3.27Å; I118-V201 PolarHBondContact O-N 3.37Å; L139-V201 HydrophobicContact CB-CG2 4.49Å; L139-V201 HydrophobicContact CD2-CB 3.76Å; L139-V201 HydrophobicContact CD2-CG1 3.66Å; L139-V201 HydrophobicContact CD2-CG2 4.33Å; Y157-V201 HydrophobicContact CD1-CG1 4.1Å; D159-V201 HydrophobicContact CB-CG2 4.24Å; Y183-V201 HydrophobicContact CD1-CG2 3.83Å; Y183-V201 HydrophobicContact CD2-CG2 4.41Å; Y183-V201 HydrophobicContact CE1-CB 4.24Å; Y183-V201 HydrophobicContact CE1-CG2 3.58Å; Y183-V201 HydrophobicContact CE2-CG2 4.2Å; Y183-V201 HydrophobicContact CG-CG2 4.24Å; V201-V203 HydrophobicContact CG1-CG2 4.19Å
202	F	97	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.7	173.5	-65.4	-95.1	0	0	0	109.1	L63 F93 C101 F116 A117 Y157 Y158 L200	L63-F202 HydrophobicContact CD1-CE1 4.12Å; L63-F202 HydrophobicContact CD1-CZ 4.26Å; L63-F202 HydrophobicContact CD2-CE1 4.3Å; L63-F202 HydrophobicContact CD2-CZ 3.88Å; F93-F202 HydrophobicContact CE1-CE2 4.31Å; C101-F202 HydrophobicContact CB-CB 4.09Å; C101-F202 HydrophobicContact CB-CD1 3.86Å; C101-F202 HydrophobicContact CB-CG 4.19Å; F116-F202 CarbonylContact O-C 3.44Å; F116-F202 VanDerWaalsContact O-CA 3.31Å; F116-F202 WeakPolarHBondContact O-CA 3.38Å; A117-F202 HydrophobicContact CB-CD1 4.03Å; A117-F202 HydrophobicContact CB-CE1 3.85Å; A117-F202 HydrophobicContact CB-CZ 4.38Å; Y157-F202 CarbonylContact C-O 3.57Å; Y157-F202 WeakPolarHBondContact CA-O 3.48Å; Y158-F202 HydrophobicContact CD2-CB 4.1Å; Y158-F202 PolarHBondContact N-O 3.33Å; Y158-F202 PolarHBondContact O-N 3.05Å; L200-F202 HydrophobicContact CB-CE2 4.1Å; L200-F202 HydrophobicContact CD1-CE2 4.39Å; L200-F202 HydrophobicContact CD1-CZ 4.2Å
203	V	97	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.3	178.9	-175.2	0	0	0	0	108.3	C115 F116 I118 L139 C141 I155 C156 Y157 V201 F205	C115-V203 WeakPolarHBondContact CA-O 2.97Å; F116-V203 PolarHBondContact N-O 3.01Å; F116-V203 PolarHBondContact O-N 3.32Å; I118-V203 HydrophobicContact CD1-CB 4.32Å; I118-V203 HydrophobicContact CD1-CG2 3.69Å; I118-V203 HydrophobicContact CG1-CG2 4.03Å; L139-V203 HydrophobicContact CD2-CG2 4.01Å; C141-V203 HydrophobicContact CB-CG1 4.44Å; I155-V203 HydrophobicContact CG2-CG1 3.56Å; C156-V203 WeakPolarHBondContact O-CA 3.32Å; Y157-V203 HydrophobicContact CD1-CG2 3.87Å; Y157-V203 HydrophobicContact CE1-CG1 4.22Å; Y157-V203 HydrophobicContact CE1-CG2 3.99Å; V201-V203 HydrophobicContact CG1-CG2 4.19Å; V203-F205 HydrophobicContact CG1-CE1 3.83Å; V203-F205 HydrophobicContact CG1-CE2 4.11Å; V203-F205 HydrophobicContact CG1-CZ 3.56Å
204	H	95.8	Very high	94.6	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.8	-174.3	-172.1	-164	0	0	0	109.8	K113 C115 C156 Y158 H206	K113-H204 WeakPolarHBondContact CB-NE2 3.35Å; K113-H204 PolarHBondContact O-CD2 3.31Å; K113-H204 PolarHBondContact O-NE2 3.49Å; C115-H204 HydrophobicContact CB-CB 4.23Å; C156-H204 HydrophobicContact CB-CB 4.22Å; C156-H204 PolarHBondContact N-O 3.35Å; C156-H204 PolarHBondContact O-N 3.34Å; Y158-H204 HydrophobicContact CD2-CB 4.41Å; Y158-H204 HydrophobicContact CE2-CB 3.55Å; Y158-H204 AromaticContact CE2-ND1 3.71Å; Y158-H204 AromaticContact CZ-ND1 3.95Å; Y158-H204 PolarHBondContact OH-ND1 3.33Å; H204-H206 AromaticContact CE1-CD2 3.99Å; H204-H206 AromaticContact CE1-CE1 3.9Å; H204-H206 AromaticContact CE1-NE2 3.37Å; H204-H206 PolarHBondContact CE1-NE2 3Å; H204-H206 AromaticContact CG-CD2 3.89Å; H204-H206 AromaticContact CG-NE2 3.75Å; H204-H206 AromaticContact ND1-CD2 3.71Å; H204-H206 AromaticContact ND1-NE2 3.09Å; H204-H206 PolarHBondContact ND1-NE2 3.34Å
205	F	95.6	Very high	95	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	107.9	-178	-60.9	-68.3	0	0	0	110.3	K113 P114 F116 L152 I155 V203 P208 I216 F238	K113-F205 VanDerWaalsContact CA-O 3.24Å; K113-F205 WeakPolarHBondContact CA-O 3.13Å; K113-F205 WeakPolarHBondContact CB-O 3.43Å; P114-F205 PolarHBondContact O-N 3.5Å; P114-F205 VanDerWaalsContact O-N 3.13Å; F116-F205 AromaticContact CD2-CD2 3.82Å; F116-F205 HydrophobicContact CD2-CD2 3.82Å; F116-F205 AromaticContact CD2-CE2 3.5Å; F116-F205 HydrophobicContact CD2-CE2 3.5Å; F116-F205 AromaticContact CE2-CD2 3.71Å; F116-F205 HydrophobicContact CE2-CD2 3.71Å; F116-F205 AromaticContact CE2-CE2 3.67Å; F116-F205 HydrophobicContact CE2-CE2 3.67Å; L152-F205 HydrophobicContact CD1-CD1 3.4Å; L152-F205 VanDerWaalsContact CD1-CD1 3.4Å; L152-F205 HydrophobicContact CD1-CE1 3.63Å; L152-F205 HydrophobicContact CD1-CG 4Å; L152-F205 HydrophobicContact CD1-CZ 4.35Å; L152-F205 HydrophobicContact CD2-CD1 4.2Å; L152-F205 HydrophobicContact CD2-CE1 3.87Å; L152-F205 HydrophobicContact CG-CD1 3.72Å; L152-F205 HydrophobicContact CG-CE1 3.91Å; I155-F205 HydrophobicContact CB-CD1 4.47Å; I155-F205 HydrophobicContact CB-CE1 4.48Å; I155-F205 HydrophobicContact CD1-CE1 4.24Å; I155-F205 HydrophobicContact CG1-CD1 3.99Å; I155-F205 HydrophobicContact CG1-CE1 3.99Å; I155-F205 HydrophobicContact CG2-CD1 4.13Å; I155-F205 HydrophobicContact CG2-CE1 3.84Å; V203-F205 HydrophobicContact CG1-CE1 3.83Å; V203-F205 HydrophobicContact CG1-CE2 4.11Å; V203-F205 HydrophobicContact CG1-CZ 3.56Å; F205-P208 WeakPolarHBondContact O-CD 2.93Å; F205-I216 HydrophobicContact CE1-CD1 4.25Å; F205-I216 HydrophobicContact CE2-CD1 3.9Å; F205-I216 HydrophobicContact CZ-CD1 3.77Å; F205-I216 HydrophobicContact CZ-CG2 4.08Å; F205-F238 HydrophobicContact CE2-CE2 4.29Å; F205-F238 HydrophobicContact CE2-CZ 4.09Å; F205-F238 HydrophobicContact CZ-CZ 4.11Å
206	H	92.8	Very high	95.4	Very high	31 Å²	31	34.5 Å²	34.5	14%	0.144	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115.4	177	-74.2	-118.5	0	0	0	110	K154 C156 H204	K154-H206 HydrophobicContact CB-CB 4.14Å; K154-H206 PolarHBondContact N-O 3.25Å; K154-H206 WeakPolarHBondContact O-CB 3.3Å; K154-H206 PolarHBondContact O-N 2.77Å; C156-H206 PolarHBondContact SG-CD2 3Å; C156-H206 PolarHBondContact SG-NE2 3.04Å; H204-H206 AromaticContact CE1-CD2 3.99Å; H204-H206 AromaticContact CE1-CE1 3.9Å; H204-H206 AromaticContact CE1-NE2 3.37Å; H204-H206 PolarHBondContact CE1-NE2 3Å; H204-H206 AromaticContact CG-CD2 3.89Å; H204-H206 AromaticContact CG-NE2 3.75Å; H204-H206 AromaticContact ND1-CD2 3.71Å; H204-H206 AromaticContact ND1-NE2 3.09Å; H204-H206 PolarHBondContact ND1-NE2 3.34Å
207	N	92.8	Very high	95.7	Very high	119 Å²	119	36 Å²	36	64%	0.636	17%	0.166	S	C	*	.	S	Bend	trans	61.2	53.3	177.2	-52.6	-14.3	0	0	0	114.3
208	P	96.2	Very high	95.9	Very high	8 Å²	8	36 Å²	36	5%	0.052	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-60	144.2	165.8	29.7	-34.9	0	0	0	109.6	G112 Y151 F205 R210 I214 I240 V242	G112-P208 WeakPolarHBondContact O-CD 3.44Å; G112-P208 WeakPolarHBondContact O-CG 3.45Å; Y151-P208 CarbonylContact O-C 3.45Å; Y151-P208 WeakPolarHBondContact O-CA 3.35Å; F205-P208 WeakPolarHBondContact O-CD 2.93Å; P208-R210 PolarHBondContact O-N 3.24Å; P208-I214 HydrophobicContact CB-CD1 3.95Å; P208-I240 HydrophobicContact CB-CD1 4.06Å; P208-V242 HydrophobicContact CG-CG2 4.01Å
209	K	96.9	Very high	96.1	Very high	95 Å²	95	37.5 Å²	37.5	41%	0.413	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-62.6	128.3	175.8	-172.7	173.3	179.3	179.6	0	109.3	Y151 V212	Y151-K209 HydrophobicContact CD1-CB 4.34Å; Y151-K209 HydrophobicContact CD1-CD 3.43Å; Y151-K209 VanDerWaalsContact CD1-CD 3.43Å; Y151-K209 HydrophobicContact CD2-CD 4.27Å; Y151-K209 HydrophobicContact CE1-CD 3.57Å; Y151-K209 HydrophobicContact CE2-CD 4.35Å; Y151-K209 HydrophobicContact CG-CB 4.16Å; Y151-K209 HydrophobicContact CG-CD 3.82Å; Y151-K209 PolarHBondContact O-N 2.98Å; Y151-K209 PolarHBondContact OH-NZ 3.01Å; K209-V212 HydrophobicContact CB-CG2 3.77Å; K209-V212 HydrophobicContact CD-CG1 4.42Å; K209-V212 HydrophobicContact CD-CG2 4.04Å; K209-V212 HydrophobicContact CG-CG2 3.78Å; K209-V212 WeakPolarHBondContact O-CG2 3.28Å
210	R	95.6	Very high	96.2	Very high	109 Å²	109	37.5 Å²	37.5	41%	0.411	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	158.2	-179.9	-63.2	-174.2	177.9	-144.9	0.2	112.3	T46 P208 V212 V242 D243	T46-R210 PolarHBondContact OG1-NH1 2.97Å; P208-R210 PolarHBondContact O-N 3.24Å; R210-V212 PolarHBondContact O-N 3.13Å; R210-V242 CarbonylContact C-O 3.33Å; R210-V242 WeakPolarHBondContact CA-O 3.15Å; R210-V242 WeakPolarHBondContact CB-O 3.38Å; R210-V242 HydrophobicContact CG-CG1 4.43Å; R210-D243 PolarHBondContact NH1-OXT 3.32Å
211	H	95.7	Very high	96.2	Very high	127 Å²	127	40.1 Å²	40.1	59%	0.588	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	24.7	175.6	-48.6	-53.4	0	0	0	114.6	V242 D243	H211-V242 PolarHBondContact N-O 3.31Å; H211-D243 IonicContact CE1-OD1 3.62Å; H211-D243 PolarHBondContact CE1-OXT 3.37Å; H211-D243 IonicContact CG-OD1 2.68Å; H211-D243 IonicContact ND1-OD1 3.92Å; H211-D243 PolarHBondContact ND1-OD1 3.48Å
212	V	96.3	Very high	96	Very high	35 Å²	35	40.5 Å²	40.5	21%	0.212	19%	0.188	C	C	.	.	S	Bend	trans	-134	145.1	173.9	-62.5	0	0	0	0	109.4	Y151 K209 R210 I214 L241	Y151-V212 HydrophobicContact CD2-CB 4.41Å; Y151-V212 HydrophobicContact CD2-CG2 3.85Å; Y151-V212 HydrophobicContact CE2-CB 4.5Å; Y151-V212 HydrophobicContact CE2-CG2 4.33Å; Y151-V212 HydrophobicContact CG-CG2 4.35Å; K209-V212 HydrophobicContact CB-CG2 3.77Å; K209-V212 HydrophobicContact CD-CG1 4.42Å; K209-V212 HydrophobicContact CD-CG2 4.04Å; K209-V212 HydrophobicContact CG-CG2 3.78Å; K209-V212 WeakPolarHBondContact O-CG2 3.28Å; R210-V212 PolarHBondContact O-N 3.13Å; V212-I214 HydrophobicContact CG2-CD1 4.37Å; V212-I214 HydrophobicContact CG2-CG1 4Å; V212-L241 VanDerWaalsContact C-CD1 3.48Å; V212-L241 VanDerWaalsContact O-CD1 3.3Å; V212-L241 WeakPolarHBondContact O-CD1 3.34Å
213	I	96.1	Very high	95.9	Very high	80 Å²	80	47.3 Å²	47.3	41%	0.41	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.2	171.8	-61.5	174.7	0	0	0	107.7	Q239 I240 L241	I213-Q239 HydrophobicContact CG2-CB 4.05Å; I213-Q239 HydrophobicContact CG2-CG 4.14Å; I213-I240 WeakPolarHBondContact CA-O 3.32Å; I213-L241 HydrophobicContact CG1-CB 4.39Å; I213-L241 HydrophobicContact CG1-CD1 4.38Å; I213-L241 HydrophobicContact CG1-CD2 4.36Å
214	I	97.1	Very high	95.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.6	178.1	-51.9	171	0	0	0	108.3	D148 Y151 L152 P208 V212 I216 Q239 I240	D148-I214 HydrophobicContact CB-CG2 3.99Å; Y151-I214 WeakPolarHBondContact O-CD1 3.47Å; L152-I214 HydrophobicContact CB-CG2 4.41Å; L152-I214 HydrophobicContact CD1-CG2 4.15Å; P208-I214 HydrophobicContact CB-CD1 3.95Å; V212-I214 HydrophobicContact CG2-CD1 4.37Å; V212-I214 HydrophobicContact CG2-CG1 4Å; I214-I216 HydrophobicContact CG2-CG1 4.21Å; I214-Q239 WeakPolarHBondContact O-CA 3.49Å; I214-I240 HydrophobicContact CB-CG1 3.91Å; I214-I240 HydrophobicContact CD1-CD1 4.3Å; I214-I240 HydrophobicContact CD1-CG1 4.35Å; I214-I240 HydrophobicContact CG1-CG1 4.49Å; I214-I240 PolarHBondContact N-O 2.96Å; I214-I240 PolarHBondContact O-N 2.77Å
215	W	96.5	Very high	95.6	Very high	103 Å²	103	49.8 Å²	49.8	39%	0.39	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.7	175	-68.3	72.1	0	0	0	110	G143 L144 D148 V237 Q239	G143-W215 CarbonylContact C-O 3.54Å; G143-W215 WeakPolarHBondContact CA-O 3.23Å; L144-W215 HydrophobicContact CB-CB 3.63Å; L144-W215 HydrophobicContact CD2-CB 3.94Å; L144-W215 HydrophobicContact CD2-CD2 4.26Å; L144-W215 HydrophobicContact CD2-CE3 3.92Å; L144-W215 HydrophobicContact CD2-CG 4.32Å; L144-W215 HydrophobicContact CG-CB 4.45Å; L144-W215 PolarHBondContact N-O 2.93Å; D148-W215 WeakPolarHBondContact CB-O 3.41Å; D148-W215 PolarHBondContact OD1-N 3.2Å; W215-V237 HydrophobicContact CE3-CG1 4.02Å; W215-Q239 HydrophobicContact CD2-CG 3.49Å; W215-Q239 VanDerWaalsContact CD2-CG 3.49Å; W215-Q239 HydrophobicContact CE3-CG 3.71Å; W215-Q239 HydrophobicContact CG-CG 3.94Å; W215-Q239 HydrophobicContact CH2-CG 4.26Å; W215-Q239 HydrophobicContact CZ2-CG 4.06Å; W215-Q239 HydrophobicContact CZ3-CG 4.09Å
216	I	96.6	Very high	95.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.2	-177	-58.8	162.8	0	0	0	108.4	C141 L152 F205 I214 V237 F238 I240	C141-I216 HydrophobicContact CB-CG2 4.43Å; L152-I216 HydrophobicContact CD1-CD1 3.49Å; L152-I216 VanDerWaalsContact CD1-CD1 3.49Å; L152-I216 HydrophobicContact CD1-CG1 3.68Å; L152-I216 HydrophobicContact CD2-CG1 4.19Å; L152-I216 HydrophobicContact CD2-CG2 4.48Å; F205-I216 HydrophobicContact CE1-CD1 4.25Å; F205-I216 HydrophobicContact CE2-CD1 3.9Å; F205-I216 HydrophobicContact CZ-CD1 3.77Å; F205-I216 HydrophobicContact CZ-CG2 4.08Å; I214-I216 HydrophobicContact CG2-CG1 4.21Å; I216-V237 VanDerWaalsContact O-CA 3.3Å; I216-V237 WeakPolarHBondContact O-CA 3.36Å; I216-F238 HydrophobicContact CB-CD1 4.48Å; I216-F238 HydrophobicContact CB-CE1 4.09Å; I216-F238 HydrophobicContact CB-CE2 4.18Å; I216-F238 HydrophobicContact CB-CZ 3.93Å; I216-F238 HydrophobicContact CD1-CD2 4.38Å; I216-F238 HydrophobicContact CD1-CE2 3.65Å; I216-F238 HydrophobicContact CD1-CZ 3.95Å; I216-F238 HydrophobicContact CG2-CE1 3.82Å; I216-F238 HydrophobicContact CG2-CE2 4.43Å; I216-F238 HydrophobicContact CG2-CZ 3.72Å; I216-F238 PolarHBondContact N-O 3Å; I216-F238 PolarHBondContact O-N 3.4Å; I216-I240 HydrophobicContact CD1-CB 4.44Å; I216-I240 HydrophobicContact CD1-CD1 3.7Å; I216-I240 HydrophobicContact CD1-CG1 3.73Å; I216-I240 HydrophobicContact CD1-CG2 3.92Å
217	K	96.4	Very high	95.6	Very high	36 Å²	36	56.3 Å²	56.3	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.5	167.4	61.7	178.2	-178.8	172.1	0	109.1	C141 E142 G143 L144 I229 I236 V237	C141-K217 CarbonylContact C-O 3.58Å; C141-K217 VanDerWaalsContact CA-O 3.28Å; C141-K217 WeakPolarHBondContact CA-O 3.46Å; E142-K217 HydrophobicContact CG-CD 4.34Å; E142-K217 HydrophobicContact CG-CG 4.03Å; E142-K217 PolarHBondContact N-O 3.33Å; E142-K217 WeakPolarHBondContact O-CG 3.41Å; E142-K217 PolarHBondContact O-N 3.05Å; E142-K217 VanDerWaalsContact O-O 3.12Å; E142-K217 WeakPolarHBondContact OE1-CE 3.48Å; E142-K217 IonicContact OE1-NZ 3.72Å; E142-K217 PolarHBondContact OE1-NZ 3.41Å; G143-K217 WeakPolarHBondContact O-CE 3.37Å; L144-K217 HydrophobicContact CD1-CB 4.37Å; L144-K217 HydrophobicContact CD1-CD 4.08Å; K217-I229 HydrophobicContact CD-CD1 3.75Å; K217-I236 WeakPolarHBondContact CA-O 3.36Å; K217-V237 HydrophobicContact CB-CG2 4.09Å
218	C	97.6	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.9	168.4	-62.8	0	0	0	0	108.6	L29 I118 L139 K140 C141 S235 I236	L29-C218 HydrophobicContact CD1-CB 4.32Å; I118-C218 HydrophobicContact CD1-CB 3.97Å; I118-C218 WeakPolarHBondContact CD1-SG 3.31Å; L139-C218 HydrophobicContact CD1-CB 4.32Å; K140-C218 CarbonylContact O-C 3.51Å; K140-C218 VanDerWaalsContact O-CA 3.29Å; K140-C218 WeakPolarHBondContact O-CA 3.49Å; C141-C218 HydrophobicContact CB-CB 4.13Å; C141-C218 WeakPolarHBondContact CB-SG 3.17Å; C141-C218 WeakPolarHBondContact SG-CB 3.26Å; C141-C218 CovalentContact SG-SG 2.04Å; C141-C218 PolarHBondContact SG-SG 3.31Å; C218-S235 CarbonylContact O-C 3.54Å; C218-S235 WeakPolarHBondContact O-CA 3.36Å; C218-S235 WeakPolarHBondContact O-CB 3.48Å; C218-I236 HydrophobicContact CB-CG2 3.88Å; C218-I236 PolarHBondContact N-O 3.02Å; C218-I236 PolarHBondContact O-N 3.26Å
219	Y	97.7	Very high	95.5	Very high	34 Å²	34	55.1 Å²	55.1	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.4	-178.5	56.8	-88.2	0	0	0	111.5	K140 E142 L221 V227 G234	K140-Y219 HydrophobicContact CB-CE2 4.12Å; K140-Y219 HydrophobicContact CD-CE2 4.37Å; K140-Y219 WeakPolarHBondContact CD-OH 3.42Å; K140-Y219 PolarHBondContact N-O 3.47Å; K140-Y219 PolarHBondContact NZ-OH 3.24Å; K140-Y219 VanDerWaalsContact NZ-OH 3.09Å; K140-Y219 PolarHBondContact O-N 3.3Å; E142-Y219 HydrophobicContact CG-CE1 4.11Å; E142-Y219 WeakPolarHBondContact OE1-CE1 3.27Å; E142-Y219 PolarHBondContact OE1-OH 2.82Å; E142-Y219 PolarHBondContact OE2-OH 2.97Å; Y219-L221 HydrophobicContact CD2-CD2 4.03Å; Y219-L221 HydrophobicContact CD2-CG 4.19Å; Y219-L221 HydrophobicContact CE2-CD1 4.38Å; Y219-L221 HydrophobicContact CE2-CD2 3.86Å; Y219-L221 HydrophobicContact CE2-CG 4.1Å; Y219-V227 HydrophobicContact CG-CG1 4.39Å; Y219-G234 CarbonylContact C-O 3.56Å; Y219-G234 WeakPolarHBondContact CA-O 3.28Å
220	V	96.9	Very high	95.2	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.9	-175.4	-169.6	0	0	0	0	110.2	L29 L120 V137 L138 L139 I225 V227 G234	L29-V220 HydrophobicContact CD1-CG2 3.64Å; L29-V220 HydrophobicContact CD2-CG2 3.49Å; L29-V220 VanDerWaalsContact CD2-CG2 3.49Å; L29-V220 HydrophobicContact CG-CG2 3.63Å; L120-V220 HydrophobicContact CD1-CG1 4.42Å; L120-V220 HydrophobicContact CD1-CG2 3.77Å; V137-V220 HydrophobicContact CG1-CG1 3.05Å; L138-V220 CarbonylContact O-C 3.58Å; L138-V220 WeakPolarHBondContact O-CA 3.4Å; L139-V220 HydrophobicContact CD1-CG2 4.31Å; V220-I225 HydrophobicContact CB-CD1 3.94Å; V220-I225 HydrophobicContact CB-CG2 4.27Å; V220-I225 HydrophobicContact CG1-CD1 3.4Å; V220-V227 VanDerWaalsContact O-CG2 3.27Å; V220-V227 WeakPolarHBondContact O-CG2 3.34Å; V220-G234 PolarHBondContact N-O 3.17Å
221	L	95.7	Very high	94.8	Very high	56 Å²	56	56.2 Å²	56.2	29%	0.293	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.7	178.6	-66.2	171.8	0	0	0	109.4	L131 L138 K140 Y219	L131-L221 HydrophobicContact CD1-CB 3.85Å; L138-L221 HydrophobicContact CB-CB 4.13Å; L138-L221 PolarHBondContact N-O 3.2Å; L138-L221 PolarHBondContact O-N 3.09Å; K140-L221 HydrophobicContact CB-CD1 4.35Å; Y219-L221 HydrophobicContact CD2-CD2 4.03Å; Y219-L221 HydrophobicContact CD2-CG 4.19Å; Y219-L221 HydrophobicContact CE2-CD1 4.38Å; Y219-L221 HydrophobicContact CE2-CD2 3.86Å; Y219-L221 HydrophobicContact CE2-CG 4.1Å
222	A	94.7	Very high	94.5	Very high	8 Å²	8	53.9 Å²	53.9	7%	0.066	27%	0.271	C	S	.	.			trans	-154	154.4	172.2	0	0	0	0	0	109.3	I129 V137 N224 I225	I129-A222 CarbonylContact O-C 3.55Å; V137-A222 HydrophobicContact CG1-CB 4.19Å; V137-A222 HydrophobicContact CG2-CB 4.05Å; A222-N224 VanDerWaalsContact C-N 3.27Å; A222-N224 PolarHBondContact O-N 2.84Å; A222-I225 HydrophobicContact CB-CB 4.26Å; A222-I225 HydrophobicContact CB-CD1 3.89Å; A222-I225 HydrophobicContact CB-CG1 3.98Å; A222-I225 PolarHBondContact O-N 3.3Å
223	K	94.3	Very high	94.3	Very high	142 Å²	142	55.7 Å²	55.7	62%	0.617	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.1	-177.2	-177.2	172.9	178.5	176.3	0	113.1	I129	I129-K223 HydrophobicContact CB-CB 4.14Å; I129-K223 HydrophobicContact CG2-CB 3.82Å; I129-K223 HydrophobicContact CG2-CD 4Å; I129-K223 HydrophobicContact CG2-CG 4.3Å; I129-K223 WeakPolarHBondContact O-CB 3.33Å; I129-K223 PolarHBondContact O-N 2.91Å
224	N	92.4	Very high	94.2	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.241	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	14.7	-179.2	67.1	-34.2	0	0	0	114	W126 L127 I129 A222	W126-N224 PolarHBondContact NE1-ND2 2.84Å; L127-N224 PolarHBondContact O-ND2 2.96Å; I129-N224 HydrophobicContact CB-CB 4.13Å; I129-N224 HydrophobicContact CD1-CB 3.98Å; I129-N224 HydrophobicContact CG1-CB 4.02Å; I129-N224 PolarHBondContact N-OD1 3.38Å; A222-N224 VanDerWaalsContact C-N 3.27Å; A222-N224 PolarHBondContact O-N 2.84Å
225	I	93.5	Very high	94.1	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.082	26%	0.258	C	S	.	.			trans	-113.2	125.4	174.2	-65.2	-180	0	0	0	108.3	N26 P27 W126 V137 V220 A222 V227	N26-I225 WeakPolarHBondContact OD1-CG2 3.43Å; P27-I225 HydrophobicContact CG-CD1 3.85Å; P27-I225 HydrophobicContact CG-CG1 4.13Å; W126-I225 HydrophobicContact CH2-CD1 4.08Å; W126-I225 HydrophobicContact CZ2-CD1 3.73Å; W126-I225 HydrophobicContact CZ2-CG1 3.87Å; V137-I225 HydrophobicContact CG1-CD1 4.38Å; V220-I225 HydrophobicContact CB-CD1 3.94Å; V220-I225 HydrophobicContact CB-CG2 4.27Å; V220-I225 HydrophobicContact CG1-CD1 3.4Å; A222-I225 HydrophobicContact CB-CB 4.26Å; A222-I225 HydrophobicContact CB-CD1 3.89Å; A222-I225 HydrophobicContact CB-CG1 3.98Å; A222-I225 PolarHBondContact O-N 3.3Å; I225-V227 HydrophobicContact CG2-CG2 4.42Å
226	H	93.7	Very high	94.1	Very high	114 Å²	114	48 Å²	48	53%	0.528	24%	0.244	S	C	.	.			trans	-96.6	121.1	172.1	173.6	-95.4	0	0	0	108.7	N26 E233	N26-H226 PolarHBondContact ND2-O 3.12Å; N26-H226 PolarHBondContact OD1-N 3.4Å; N26-H226 VanDerWaalsContact OD1-N 3.11Å; N26-H226 PolarHBondContact OD1-O 3.26Å; H226-E233 IonicContact ND1-OE2 3.73Å; H226-E233 PolarHBondContact ND1-OE2 3.35Å; H226-E233 CarbonylContact O-C 3.6Å
227	V	94.9	Very high	94	Very high	53 Å²	53	49.3 Å²	49.3	32%	0.321	25%	0.252	S	S	.	.			trans	-91.1	116.3	180	178	0	0	0	0	109.4	Y219 V220 I225 I229 E233	Y219-V227 HydrophobicContact CG-CG1 4.39Å; V220-V227 VanDerWaalsContact O-CG2 3.27Å; V220-V227 WeakPolarHBondContact O-CG2 3.34Å; I225-V227 HydrophobicContact CG2-CG2 4.42Å; V227-I229 HydrophobicContact CG1-CG1 4.49Å; V227-E233 WeakPolarHBondContact CA-O 3.42Å
228	N	93.8	Very high	93.9	Very high	46 Å²	46	47.8 Å²	47.8	25%	0.246	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-130.4	107.9	168.8	-175.3	-10.6	0	0	0	109.7	N230 T231 N232 E233 S235	N228-N230 VanDerWaalsContact C-N 3.27Å; N228-N230 PolarHBondContact O-N 2.96Å; N228-N230 WeakPolarHBondContact OD1-CB 3.4Å; N228-N230 PolarHBondContact OD1-N 3.29Å; N228-T231 WeakPolarHBondContact CB-OG1 3.4Å; N228-T231 VanDerWaalsContact CG-OG1 3.28Å; N228-T231 PolarHBondContact ND2-OG1 2.85Å; N228-T231 PolarHBondContact O-N 2.86Å; N228-N232 WeakPolarHBondContact O-CA 2.99Å; N228-N232 PolarHBondContact O-N 3.11Å; N228-E233 HydrophobicContact CB-CB 4.1Å; N228-E233 PolarHBondContact N-O 3.21Å; N228-E233 PolarHBondContact O-N 2.92Å; N228-S235 PolarHBondContact O-OG 2.91Å
229	I	92.6	Very high	93.8	Very high	57 Å²	57	49 Å²	49	29%	0.292	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.3	-176.8	-59.6	172	0	0	0	111.1	L144 K217 V227 T231 N232 V237	L144-I229 HydrophobicContact CD1-CG2 4.33Å; K217-I229 HydrophobicContact CD-CD1 3.75Å; V227-I229 HydrophobicContact CG1-CG1 4.49Å; I229-T231 VanDerWaalsContact C-N 3.35Å; I229-T231 PolarHBondContact O-N 3.41Å; I229-N232 PolarHBondContact O-N 3.32Å; I229-V237 HydrophobicContact CG2-CG2 3.52Å
230	N	90.4	Very high	93.7	Very high	151 Å²	151	47.4 Å²	47.4	81%	0.807	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-32.3	-177.5	-62.4	-35.7	0	0	0	112.2	N228	N228-N230 VanDerWaalsContact C-N 3.27Å; N228-N230 PolarHBondContact O-N 2.96Å; N228-N230 WeakPolarHBondContact OD1-CB 3.4Å; N228-N230 PolarHBondContact OD1-N 3.29Å
231	T	88.8	Confident	93.6	Very high	75 Å²	75	48.6 Å²	48.6	46%	0.46	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	2.8	179.3	59.5	0	0	0	0	113.2	N228 I229 E233	N228-T231 WeakPolarHBondContact CB-OG1 3.4Å; N228-T231 VanDerWaalsContact CG-OG1 3.28Å; N228-T231 PolarHBondContact ND2-OG1 2.85Å; N228-T231 PolarHBondContact O-N 2.86Å; I229-T231 VanDerWaalsContact C-N 3.35Å; I229-T231 PolarHBondContact O-N 3.41Å; T231-E233 PolarHBondContact O-N 3.31Å; T231-E233 WeakPolarHBondContact OG1-CG 3.49Å; T231-E233 PolarHBondContact OG1-OE1 2.87Å
232	N	88.9	Confident	93.6	Very high	78 Å²	78	46 Å²	46	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	32.5	-172.3	-64.5	-50.4	0	0	0	113.3	N228 I229 S235	N228-N232 WeakPolarHBondContact O-CA 2.99Å; N228-N232 PolarHBondContact O-N 3.11Å; I229-N232 PolarHBondContact O-N 3.32Å; N232-S235 CarbonylContact C-O 3.59Å
233	E	92	Very high	93.4	Very high	74 Å²	74	47.4 Å²	47.4	35%	0.346	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-81.2	129.5	171.2	-76.3	171.1	-142	0	0	109.2	N26 H226 V227 N228 T231 S235	N26-E233 PolarHBondContact ND2-OE2 2.89Å; H226-E233 IonicContact ND1-OE2 3.73Å; H226-E233 PolarHBondContact ND1-OE2 3.35Å; H226-E233 CarbonylContact O-C 3.6Å; V227-E233 WeakPolarHBondContact CA-O 3.42Å; N228-E233 HydrophobicContact CB-CB 4.1Å; N228-E233 PolarHBondContact N-O 3.21Å; N228-E233 PolarHBondContact O-N 2.92Å; T231-E233 PolarHBondContact O-N 3.31Å; T231-E233 WeakPolarHBondContact OG1-CG 3.49Å; T231-E233 PolarHBondContact OG1-OE1 2.87Å; E233-S235 PolarHBondContact O-N 3.42Å; E233-S235 PolarHBondContact O-OG 3.27Å
234	G	94.3	Very high	93.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	13.7	-176.1	0	0	0	0	0	114.1	P27 Y219 V220	P27-G234 VanDerWaalsContact O-CA 3.28Å; P27-G234 WeakPolarHBondContact O-CA 3.44Å; P27-G234 PolarHBondContact O-N 3.04Å; P27-G234 VanDerWaalsContact O-N 3.15Å; Y219-G234 CarbonylContact C-O 3.56Å; Y219-G234 WeakPolarHBondContact CA-O 3.28Å; V220-G234 PolarHBondContact N-O 3.17Å
235	S	95.6	Very high	93.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.1	-170.3	56.1	0	0	0	0	112.4	C218 N228 N232 E233	C218-S235 CarbonylContact O-C 3.54Å; C218-S235 WeakPolarHBondContact O-CA 3.36Å; C218-S235 WeakPolarHBondContact O-CB 3.48Å; N228-S235 PolarHBondContact O-OG 2.91Å; N232-S235 CarbonylContact C-O 3.59Å; E233-S235 PolarHBondContact O-N 3.42Å; E233-S235 PolarHBondContact O-OG 3.27Å
236	I	94.7	Very high	93.4	Very high	22 Å²	22	44.1 Å²	44.1	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.3	170.6	-174.7	166.4	0	0	0	108.7	L29 I31 K217 C218	L29-I236 HydrophobicContact CB-CB 3.91Å; L29-I236 HydrophobicContact CB-CG2 3.71Å; L29-I236 HydrophobicContact CD1-CG2 3.99Å; I31-I236 HydrophobicContact CB-CD1 3.95Å; I31-I236 HydrophobicContact CG2-CD1 3.73Å; K217-I236 WeakPolarHBondContact CA-O 3.36Å; C218-I236 HydrophobicContact CB-CG2 3.88Å; C218-I236 PolarHBondContact N-O 3.02Å; C218-I236 PolarHBondContact O-N 3.26Å
237	V	94.8	Very high	93.4	Very high	27 Å²	27	39.9 Å²	39.9	16%	0.164	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	172.3	-176.9	0	0	0	0	109.4	L144 W215 I216 K217 I229	L144-V237 HydrophobicContact CD2-CG1 4.5Å; W215-V237 HydrophobicContact CE3-CG1 4.02Å; I216-V237 VanDerWaalsContact O-CA 3.3Å; I216-V237 WeakPolarHBondContact O-CA 3.36Å; K217-V237 HydrophobicContact CB-CG2 4.09Å; I229-V237 HydrophobicContact CG2-CG2 3.52Å
238	F	94.6	Very high	93.3	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	164.3	176.3	64.7	-81.7	0	0	0	110.4	I31 I42 F116 F205 I216 I240	I31-F238 HydrophobicContact CD1-CD1 3.72Å; I31-F238 HydrophobicContact CD1-CD2 3.66Å; I31-F238 HydrophobicContact CD1-CE1 3.65Å; I31-F238 HydrophobicContact CD1-CE2 3.57Å; I31-F238 HydrophobicContact CD1-CG 3.73Å; I31-F238 HydrophobicContact CD1-CZ 3.57Å; I42-F238 HydrophobicContact CD1-CD2 4.27Å; F116-F238 HydrophobicContact CD2-CE2 4.35Å; F116-F238 HydrophobicContact CE2-CE2 4.24Å; F205-F238 HydrophobicContact CE2-CE2 4.29Å; F205-F238 HydrophobicContact CE2-CZ 4.09Å; F205-F238 HydrophobicContact CZ-CZ 4.11Å; I216-F238 HydrophobicContact CB-CD1 4.48Å; I216-F238 HydrophobicContact CB-CE1 4.09Å; I216-F238 HydrophobicContact CB-CE2 4.18Å; I216-F238 HydrophobicContact CB-CZ 3.93Å; I216-F238 HydrophobicContact CD1-CD2 4.38Å; I216-F238 HydrophobicContact CD1-CE2 3.65Å; I216-F238 HydrophobicContact CD1-CZ 3.95Å; I216-F238 HydrophobicContact CG2-CE1 3.82Å; I216-F238 HydrophobicContact CG2-CE2 4.43Å; I216-F238 HydrophobicContact CG2-CZ 3.72Å; I216-F238 PolarHBondContact N-O 3Å; I216-F238 PolarHBondContact O-N 3.4Å; F238-I240 HydrophobicContact CD2-CG2 4.03Å; F238-I240 HydrophobicContact CE2-CG2 3.87Å
239	Q	95.2	Very high	93.3	Very high	27 Å²	27	38.7 Å²	38.7	13%	0.126	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.2	-178.2	-68.1	165	66.6	0	0	109.6	S40 L41 I42 I213 I214 W215	S40-Q239 PolarHBondContact O-N 2.99Å; S40-Q239 PolarHBondContact OG-NE2 3.46Å; L41-Q239 HydrophobicContact CB-CB 4.39Å; L41-Q239 HydrophobicContact CD1-CB 3.72Å; I42-Q239 PolarHBondContact N-O 3.07Å; I213-Q239 HydrophobicContact CG2-CB 4.05Å; I213-Q239 HydrophobicContact CG2-CG 4.14Å; I214-Q239 WeakPolarHBondContact O-CA 3.49Å; W215-Q239 HydrophobicContact CD2-CG 3.49Å; W215-Q239 VanDerWaalsContact CD2-CG 3.49Å; W215-Q239 HydrophobicContact CE3-CG 3.71Å; W215-Q239 HydrophobicContact CG-CG 3.94Å; W215-Q239 HydrophobicContact CH2-CG 4.26Å; W215-Q239 HydrophobicContact CZ2-CG 4.06Å; W215-Q239 HydrophobicContact CZ3-CG 4.09Å
240	I	95.3	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.2	169.3	64.7	170.8	0	0	0	110.1	I42 F116 L152 P208 I213 I214 I216 F238	I42-I240 HydrophobicContact CB-CG2 4.4Å; I42-I240 WeakPolarHBondContact O-CA 3.36Å; F116-I240 HydrophobicContact CE2-CG2 4.05Å; F116-I240 HydrophobicContact CZ-CG2 3.9Å; L152-I240 HydrophobicContact CD1-CD1 4.19Å; P208-I240 HydrophobicContact CB-CD1 4.06Å; I213-I240 WeakPolarHBondContact CA-O 3.32Å; I214-I240 HydrophobicContact CB-CG1 3.91Å; I214-I240 HydrophobicContact CD1-CD1 4.3Å; I214-I240 HydrophobicContact CD1-CG1 4.35Å; I214-I240 HydrophobicContact CG1-CG1 4.49Å; I214-I240 PolarHBondContact N-O 2.96Å; I214-I240 PolarHBondContact O-N 2.77Å; I216-I240 HydrophobicContact CD1-CB 4.44Å; I216-I240 HydrophobicContact CD1-CD1 3.7Å; I216-I240 HydrophobicContact CD1-CG1 3.73Å; I216-I240 HydrophobicContact CD1-CG2 3.92Å; F238-I240 HydrophobicContact CD2-CG2 4.03Å; F238-I240 HydrophobicContact CE2-CG2 3.87Å
241	L	95.3	Very high	93.5	Very high	26 Å²	26	28.6 Å²	28.6	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.5	167.5	175	61	0	0	0	107.5	L41 I42 H43 F44 V212 I213	L41-L241 HydrophobicContact CD1-CB 4.11Å; I42-L241 PolarHBondContact O-N 3.26Å; H43-L241 WeakPolarHBondContact CA-O 3.4Å; H43-L241 HydrophobicContact CB-CB 4.38Å; H43-L241 VanDerWaalsContact CD2-CD2 3.47Å; H43-L241 WeakPolarHBondContact CD2-CD2 3.19Å; H43-L241 VanDerWaalsContact CD2-CG 3.5Å; H43-L241 WeakPolarHBondContact CD2-CG 3.46Å; H43-L241 PolarHBondContact CD2-O 2.78Å; F44-L241 PolarHBondContact N-O 3.29Å; V212-L241 VanDerWaalsContact C-CD1 3.48Å; V212-L241 VanDerWaalsContact O-CD1 3.3Å; V212-L241 WeakPolarHBondContact O-CD1 3.34Å; I213-L241 HydrophobicContact CG1-CB 4.39Å; I213-L241 HydrophobicContact CG1-CD1 4.38Å; I213-L241 HydrophobicContact CG1-CD2 4.36Å
242	V	95.3	Very high	93.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.9	179.5	-175	0	0	0	0	108.3	F44 T46 P114 P208 R210 H211	F44-V242 HydrophobicContact CE1-CG2 3.78Å; F44-V242 HydrophobicContact CE2-CG1 3.87Å; F44-V242 HydrophobicContact CE2-CG2 4.42Å; F44-V242 HydrophobicContact CZ-CB 4.22Å; F44-V242 HydrophobicContact CZ-CG1 3.84Å; F44-V242 HydrophobicContact CZ-CG2 3.58Å; T46-V242 HydrophobicContact CG2-CG1 3.87Å; P114-V242 HydrophobicContact CG-CG2 4.35Å; P208-V242 HydrophobicContact CG-CG2 4.01Å; R210-V242 CarbonylContact C-O 3.33Å; R210-V242 WeakPolarHBondContact CA-O 3.15Å; R210-V242 WeakPolarHBondContact CB-O 3.38Å; R210-V242 HydrophobicContact CG-CG1 4.43Å; H211-V242 PolarHBondContact N-O 3.31Å
243	D	91.4	Very high	94.4	Very high	37 Å²	37	19.9 Å²	19.9	20%	0.198	10%	0.101	C	C	.	.			trans	-100.4	0	174.6	-69.5	-34.2	0	0	0	112.3	H43 F44 H45 T46 R210 H211	H43-D243 IonicContact CD2-OD2 3.22Å; H43-D243 IonicContact CE1-OD2 2.63Å; H43-D243 IonicContact NE2-OD2 2.75Å; H43-D243 PolarHBondContact NE2-OD2 3.27Å; F44-D243 PolarHBondContact O-N 3.34Å; H45-D243 CarbonylContact C-O 3.52Å; H45-D243 WeakPolarHBondContact CA-O 3.43Å; H45-D243 HydrophobicContact CB-CB 4.41Å; H45-D243 VanDerWaalsContact CD2-CB 3.44Å; H45-D243 WeakPolarHBondContact CD2-CB 3.49Å; H45-D243 IonicContact CD2-OD2 2.78Å; H45-D243 IonicContact NE2-OD2 3.7Å; H45-D243 PolarHBondContact NE2-OD2 3.21Å; T46-D243 WeakPolarHBondContact CB-O 3.32Å; T46-D243 WeakPolarHBondContact CG2-O 3.43Å; T46-D243 PolarHBondContact N-O 3.1Å; T46-D243 PolarHBondContact OG1-O 3.11Å; R210-D243 PolarHBondContact NH1-OXT 3.32Å; H211-D243 IonicContact CE1-OD1 3.62Å; H211-D243 PolarHBondContact CE1-OXT 3.37Å; H211-D243 IonicContact CG-OD1 2.68Å; H211-D243 IonicContact ND1-OD1 3.92Å; H211-D243 PolarHBondContact ND1-OD1 3.48Å

Retrieved 243 of 243 residues in 116.5 ms (Link to these results)

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