A0AA82N8M1_SCHMA Loading...

Protein quiver AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8M1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.2	Low	61.1	Low	215 Å²	215	131.5 Å²	131.5	100%	1.059	63%	0.627	S	S	*	*				0	55.9	0	-63.3	160.6	71.7	0	0	111.2
2	K	61.9	Low	61	Low	189 Å²	189	130.3 Å²	130.3	82%	0.822	63%	0.626	S	S	*	*			trans	-94.5	-23.7	-174.5	-67.6	-174.4	175.2	-176.4	0	114.2	F6	K2-F6 PolarHBondContact O-N 3.06Å
3	W	60.6	Low	60.7	Low	221 Å²	221	129.2 Å²	129.2	84%	0.837	62%	0.624	S	S	*	*	H	α-helix	trans	-71.5	-29.1	178.5	-90	27.3	0	0	0	114	F6 L7	W3-F6 PolarHBondContact O-N 3.46Å; W3-L7 PolarHBondContact O-N 3.46Å; W3-L7 VanDerWaalsContact O-N 3.13Å
4	F	61.4	Low	60.5	Low	155 Å²	155	124.6 Å²	124.6	68%	0.68	61%	0.612	S	S	*	*	H	α-helix	trans	-68.3	-39	179.5	-158.5	-96.6	0	0	0	111.8	F6 L7 L8	F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 3.27Å; F4-L8 PolarHBondContact O-N 3.45Å
5	N	61.2	Low	60.1	Low	86 Å²	86	127.9 Å²	127.9	46%	0.46	62%	0.622	S	S	.	*	H	α-helix	trans	-70.1	-28	174.7	-66	-7.3	0	0	0	112.5	G9	N5-G9 PolarHBondContact O-N 3.26Å
6	F	62.2	Low	59.8	Low	150 Å²	150	128.9 Å²	128.9	66%	0.658	63%	0.631	S	S	*	*	H	α-helix	trans	-71.2	-40.8	176.6	-161.5	-96.9	0	0	0	111.8	K2 W3 F4 G9 L10	K2-F6 PolarHBondContact O-N 3.06Å; W3-F6 PolarHBondContact O-N 3.46Å; F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.13Å; F6-G9 PolarHBondContact O-N 3.43Å; F6-L10 HydrophobicContact CD1-CD1 4Å; F6-L10 HydrophobicContact CE1-CD1 3.89Å; F6-L10 PolarHBondContact O-N 3.23Å; F6-L10 VanDerWaalsContact O-N 3.12Å
7	L	62	Low	59.6	Low	103 Å²	103	129.4 Å²	129.4	54%	0.539	64%	0.635	S	S	.	*	H	α-helix	trans	-69.3	-36.6	174.5	-69.8	170.5	0	0	0	112.2	W3 F4 G9 L10 L11	W3-L7 PolarHBondContact O-N 3.46Å; W3-L7 VanDerWaalsContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 3.27Å; L7-G9 VanDerWaalsContact C-N 3.35Å; L7-L10 PolarHBondContact O-N 3.01Å; L7-L11 PolarHBondContact O-N 3.36Å
8	L	62.8	Low	59.5	Low	94 Å²	94	128.2 Å²	128.2	49%	0.492	64%	0.642	S	S	.	*	H	α-helix	trans	-65.4	-38.7	174.3	-157.7	75.9	0	0	0	111.6	F4 L11 L12	F4-L8 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.36Å
9	G	62.4	Low	59.3	Low	26 Å²	26	129.9 Å²	129.9	27%	0.268	65%	0.654	S	S	.	*	H	α-helix	trans	-62.1	-42.4	173.2	0	0	0	0	0	113.1	N5 F6 L7 L12 I13	N5-G9 PolarHBondContact O-N 3.26Å; F6-G9 PolarHBondContact O-N 3.43Å; L7-G9 VanDerWaalsContact C-N 3.35Å; G9-L12 PolarHBondContact O-N 3.12Å; G9-I13 WeakPolarHBondContact O-CD1 3.39Å; G9-I13 WeakPolarHBondContact O-CG1 3.47Å; G9-I13 PolarHBondContact O-N 3.09Å
10	L	61.3	Low	58.9	Low	92 Å²	92	128.9 Å²	128.9	48%	0.482	66%	0.658	S	S	.	*	H	α-helix	trans	-66.8	-35.5	176	-77.7	165.3	0	0	0	112.8	F6 L7 I13 S14	F6-L10 HydrophobicContact CD1-CD1 4Å; F6-L10 HydrophobicContact CE1-CD1 3.89Å; F6-L10 PolarHBondContact O-N 3.23Å; F6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.01Å; L10-I13 PolarHBondContact O-N 2.99Å; L10-S14 PolarHBondContact O-N 3.42Å; L10-S14 PolarHBondContact O-OG 3Å
11	L	59.8	Low	58.4	Low	115 Å²	115	132 Å²	132	60%	0.602	67%	0.667	S	S	*	*	H	α-helix	trans	-68.1	-37	175.8	-85	159.9	0	0	0	112.3	L7 L8 S14 F15	L7-L11 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.02Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-N 3.49Å; L11-S14 PolarHBondContact O-OG 3.43Å; L11-F15 PolarHBondContact O-N 2.7Å
12	L	59.6	Low	58.4	Low	117 Å²	117	125.9 Å²	125.9	61%	0.613	65%	0.645	S	S	*	*	H	α-helix	trans	-69.9	-37.9	174.3	-67.6	172.6	0	0	0	111.9	L8 G9 S14 F15	L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.36Å; G9-L12 PolarHBondContact O-N 3.12Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 3.33Å; L12-F15 PolarHBondContact O-N 2.92Å
13	I	57.7	Low	58.1	Low	116 Å²	116	122.5 Å²	122.5	60%	0.595	64%	0.64	S	S	*	*	H	α-helix	trans	-67.8	-29	175.3	-65.4	161.1	0	0	0	111.6	G9 L10 F15	G9-I13 WeakPolarHBondContact O-CD1 3.39Å; G9-I13 WeakPolarHBondContact O-CG1 3.47Å; G9-I13 PolarHBondContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 2.99Å; I13-F15 VanDerWaalsContact C-N 3.35Å
14	S	58	Low	58.3	Low	66 Å²	66	118.7 Å²	118.7	46%	0.462	64%	0.636	S	S	.	*	H	α-helix	trans	-77.9	-14.2	177.1	62.8	0	0	0	0	114.9	L10 L11 L12	L10-S14 PolarHBondContact O-N 3.42Å; L10-S14 PolarHBondContact O-OG 3Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-N 3.49Å; L11-S14 PolarHBondContact O-OG 3.43Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 3.33Å
15	F	54.5	Low	59.2	Low	173 Å²	173	115.3 Å²	115.3	76%	0.759	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-6.9	-178	-140.7	-97	0	0	0	113.6	L11 L12 I13	L11-F15 PolarHBondContact O-N 2.7Å; L12-F15 PolarHBondContact O-N 2.92Å; I13-F15 VanDerWaalsContact C-N 3.35Å
16	D	54.7	Low	60.7	Low	145 Å²	145	111.9 Å²	111.9	78%	0.775	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	9	-177.5	-81.7	-29.8	0	0	0	114.7
17	I	57.5	Low	62.2	Low	136 Å²	136	105.4 Å²	105.4	70%	0.697	58%	0.58	S	S	*	*			trans	-97	2.3	-176.2	-54.8	176.1	0	0	0	112.5	D19	I17-D19 PolarHBondContact O-N 3.41Å
18	S	57.7	Low	63.7	Low	108 Å²	108	100.5 Å²	100.5	76%	0.755	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	5.5	-166.9	-57.2	0	0	0	0	117.5
19	D	55.7	Low	65.1	Low	162 Å²	162	98 Å²	98	87%	0.866	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	21.6	-168.7	-123.2	0.1	0	0	0	117.2	I17	I17-D19 PolarHBondContact O-N 3.41Å
20	C	50.9	Low	66.5	Low	109 Å²	109	98.1 Å²	98.1	74%	0.736	53%	0.533	S	S	*	.			trans	-96.3	20.6	-175.4	-149.8	0	0	0	0	116
21	F	49	Very low	67.9	Low	194 Å²	194	93.9 Å²	93.9	85%	0.851	51%	0.51	S	S	*	.			trans	-112.9	57.8	169.6	-117.4	-87	0	0	0	111.2	V23	F21-V23 VanDerWaalsContact C-N 3.32Å; F21-V23 PolarHBondContact O-N 3.45Å
22	S	55	Low	69.1	Low	86 Å²	86	92.3 Å²	92.3	60%	0.601	50%	0.5	S	S	*	.			trans	-62.6	101.4	154.7	161.2	0	0	0	0	106.8	N24	S22-N24 VanDerWaalsContact C-N 3.27Å; S22-N24 PolarHBondContact O-N 3.03Å; S22-N24 PolarHBondContact O-OD1 3.39Å; S22-N24 PolarHBondContact OG-OD1 3.03Å
23	V	56.8	Low	69.9	Low	119 Å²	119	90.4 Å²	90.4	72%	0.721	49%	0.49	S	S	*	.			trans	-55.8	105.4	155	175.1	0	0	0	0	103.9	F21 N25	F21-V23 VanDerWaalsContact C-N 3.32Å; F21-V23 PolarHBondContact O-N 3.45Å; V23-N25 PolarHBondContact O-N 3.43Å
24	N	63.4	Low	70.2	Confident	140 Å²	140	87.3 Å²	87.3	75%	0.749	48%	0.476	S	S	*	.			trans	-58.4	90.6	-175	-75.5	-16.1	0	0	0	109.1	S22 L26	S22-N24 VanDerWaalsContact C-N 3.27Å; S22-N24 PolarHBondContact O-N 3.03Å; S22-N24 PolarHBondContact O-OD1 3.39Å; S22-N24 PolarHBondContact OG-OD1 3.03Å; N24-L26 VanDerWaalsContact C-N 3.26Å; N24-L26 PolarHBondContact O-N 3.35Å
25	N	81.9	Confident	70.2	Confident	84 Å²	84	86.9 Å²	86.9	45%	0.449	47%	0.469	S	S	.	.			trans	-90.8	75.7	177.9	-160.9	22.7	0	0	0	106.4	V23 S27 D56 G57	V23-N25 PolarHBondContact O-N 3.43Å; N25-S27 PolarHBondContact O-N 3.31Å; N25-S27 PolarHBondContact O-OG 3.01Å; N25-D56 WeakPolarHBondContact ND2-CB 3.25Å; N25-G57 WeakPolarHBondContact OD1-CA 3.48Å; N25-G57 PolarHBondContact OD1-N 3.05Å
26	L	92	Very high	70.3	Confident	14 Å²	14	88.3 Å²	88.3	7%	0.073	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	125.9	-175.3	-153	-28.2	0	0	0	108.4	N24 G57 C58 T120	N24-L26 VanDerWaalsContact C-N 3.26Å; N24-L26 PolarHBondContact O-N 3.35Å; L26-G57 PolarHBondContact O-N 2.68Å; L26-C58 HydrophobicContact CB-CB 4.16Å; L26-C58 WeakPolarHBondContact CB-O 3.25Å; L26-C58 HydrophobicContact CD2-CB 4.28Å; L26-C58 VanDerWaalsContact O-CB 3.25Å; L26-C58 WeakPolarHBondContact O-CB 3Å; L26-C58 PolarHBondContact O-N 2.98Å; L26-C58 PolarHBondContact O-SG 2.77Å; L26-T120 VanDerWaalsContact CD1-C 3.43Å; L26-T120 VanDerWaalsContact CD1-O 3.31Å; L26-T120 WeakPolarHBondContact CD1-O 3.25Å
27	S	93.8	Very high	70.5	Confident	14 Å²	14	89.9 Å²	89.9	10%	0.098	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.8	178.4	-51.1	0	0	0	0	110.1	N25 L55 D56 D121 Y122	N25-S27 PolarHBondContact O-N 3.31Å; N25-S27 PolarHBondContact O-OG 3.01Å; S27-L55 CarbonylContact C-O 3.54Å; S27-L55 VanDerWaalsContact CA-O 3.24Å; S27-L55 WeakPolarHBondContact CA-O 3.35Å; S27-D56 PolarHBondContact OG-OD1 3.37Å; S27-D56 VanDerWaalsContact OG-OD1 3.09Å; S27-D121 PolarHBondContact N-OD1 2.97Å; S27-D121 CarbonylContact O-C 3.59Å; S27-D121 WeakPolarHBondContact O-CA 3.45Å; S27-Y122 PolarHBondContact O-N 3.29Å
28	C	93.8	Very high	70.4	Confident	0 Å²	0	92 Å²	92	0%	0	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	162.3	-178.6	-57.7	0	0	0	0	111.6	L55 C58 C61 C91	C28-L55 PolarHBondContact N-O 3.03Å; C28-L55 PolarHBondContact O-N 3.07Å; C28-C58 HydrophobicContact CB-CB 4.37Å; C28-C58 WeakPolarHBondContact SG-CB 3.42Å; C28-C58 PolarHBondContact SG-SG 3.38Å; C28-C61 VanDerWaalsContact CA-SG 3.53Å; C28-C61 HydrophobicContact CB-CB 3.76Å; C28-C61 WeakPolarHBondContact CB-SG 3.4Å; C28-C61 WeakPolarHBondContact SG-CA 3.39Å; C28-C61 WeakPolarHBondContact SG-CB 3.33Å; C28-C61 PolarHBondContact SG-N 3.32Å; C28-C61 CovalentContact SG-SG 2.02Å; C28-C61 PolarHBondContact SG-SG 2.95Å; C28-C91 HydrophobicContact CB-CB 4.03Å
29	Y	92.5	Very high	70.3	Confident	41 Å²	41	96 Å²	96	16%	0.161	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143.4	163.3	-66.1	-66.1	0	0	0	112.1	W52 Q53 K54 R89 Y122 N124 D125	Y29-W52 HydrophobicContact CD1-CB 4.28Å; Y29-W52 AromaticContact CD1-CE3 3.86Å; Y29-W52 HydrophobicContact CD1-CE3 3.86Å; Y29-W52 AromaticContact CD2-CE3 3.77Å; Y29-W52 HydrophobicContact CD2-CE3 3.77Å; Y29-W52 AromaticContact CD2-CZ3 3.8Å; Y29-W52 HydrophobicContact CD2-CZ3 3.8Å; Y29-W52 HydrophobicContact CE1-CE3 4.47Å; Y29-W52 HydrophobicContact CE2-CE3 4.38Å; Y29-W52 HydrophobicContact CE2-CZ3 4.22Å; Y29-W52 AromaticContact CG-CE3 3.48Å; Y29-W52 HydrophobicContact CG-CE3 3.48Å; Y29-W52 VanDerWaalsContact CG-CE3 3.48Å; Y29-W52 HydrophobicContact CG-CZ3 4.02Å; Y29-Q53 CarbonylContact C-O 3.58Å; Y29-Q53 VanDerWaalsContact CA-O 3.27Å; Y29-Q53 WeakPolarHBondContact CA-O 3.24Å; Y29-K54 HydrophobicContact CD1-CG 3.94Å; Y29-K54 HydrophobicContact CE1-CD 4.23Å; Y29-K54 HydrophobicContact CE1-CG 3.6Å; Y29-R89 CarbonylContact O-C 3.55Å; Y29-R89 WeakPolarHBondContact O-CB 2.98Å; Y29-Y122 HydrophobicContact CD1-CD1 4.3Å; Y29-Y122 HydrophobicContact CD2-CD1 4.11Å; Y29-Y122 HydrophobicContact CE1-CD1 4.05Å; Y29-Y122 HydrophobicContact CE1-CE1 4.47Å; Y29-Y122 AromaticContact CE2-CD1 3.86Å; Y29-Y122 HydrophobicContact CE2-CD1 3.86Å; Y29-Y122 AromaticContact CE2-CG 3.97Å; Y29-Y122 HydrophobicContact CE2-CG 3.97Å; Y29-Y122 HydrophobicContact CG-CD1 4.32Å; Y29-Y122 AromaticContact CZ-CD1 3.79Å; Y29-N124 PolarHBondContact N-OD1 2.92Å; Y29-N124 VanDerWaalsContact N-OD1 3.08Å; Y29-N124 PolarHBondContact O-ND2 2.93Å; Y29-D125 HydrophobicContact CD2-CB 4.19Å; Y29-D125 HydrophobicContact CE2-CB 3.94Å
30	E	91.7	Very high	70.3	Confident	30 Å²	30	95.6 Å²	95.6	14%	0.14	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.6	172.6	-172.7	159.3	-99.6	0	0	110.9	Q53 L55 R89 C91 R93	E30-Q53 HydrophobicContact CB-CB 4.48Å; E30-Q53 PolarHBondContact N-O 2.8Å; E30-Q53 PolarHBondContact O-N 3.13Å; E30-L55 HydrophobicContact CB-CD1 3.27Å; E30-L55 HydrophobicContact CG-CD1 3.96Å; E30-L55 WeakPolarHBondContact OE2-CD1 2.94Å; E30-R89 VanDerWaalsContact CA-O 3.28Å; E30-R89 WeakPolarHBondContact CA-O 3.28Å; E30-C91 PolarHBondContact OE1-N 2.99Å; E30-R93 IonicContact OE1-CZ 3.87Å; E30-R93 IonicContact OE1-NH1 3.78Å; E30-R93 PolarHBondContact OE1-NH1 2.89Å; E30-R93 IonicContact OE1-NH2 2.87Å; E30-R93 IonicContact OE2-CZ 3.49Å; E30-R93 IonicContact OE2-NH1 3.89Å; E30-R93 PolarHBondContact OE2-NH1 2.61Å; E30-R93 IonicContact OE2-NH2 2.61Å; E30-R93 PolarHBondContact OE2-NH2 3.49Å
31	C	90.3	Very high	70.5	Confident	2 Å²	2	95.8 Å²	95.8	1%	0.014	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-156.2	149.9	171.2	73.7	0	0	0	0	108.7	W43 C45 W52 S88 R89	C31-W43 CarbonylContact C-O 3.54Å; C31-W43 VanDerWaalsContact CA-O 3.25Å; C31-W43 WeakPolarHBondContact CA-O 3.36Å; C31-W43 WeakPolarHBondContact CB-O 3.46Å; C31-C45 HydrophobicContact CB-CB 3.96Å; C31-C45 WeakPolarHBondContact CB-SG 3.2Å; C31-C45 PolarHBondContact O-SG 3.5Å; C31-C45 VanDerWaalsContact SG-CA 3.5Å; C31-C45 WeakPolarHBondContact SG-CB 3.45Å; C31-C45 CovalentContact SG-SG 2.04Å; C31-C45 PolarHBondContact SG-SG 3.22Å; C31-W52 HydrophobicContact CB-CB 4.1Å; C31-W52 HydrophobicContact CB-CG 4.29Å; C31-S88 WeakPolarHBondContact O-CA 3.41Å; C31-R89 PolarHBondContact N-O 3.43Å; C31-R89 PolarHBondContact O-N 2.02Å
32	E	84.6	Confident	71.2	Confident	82 Å²	82	90.1 Å²	90.1	38%	0.383	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-132.2	156.1	173.9	-168.9	165.7	148.4	0	0	109.7	V34 L42 W43 P44 C45	E32-V34 PolarHBondContact O-N 3.3Å; E32-V34 VanDerWaalsContact O-N 3.15Å; E32-L42 HydrophobicContact CB-CB 3.94Å; E32-L42 HydrophobicContact CB-CD1 3.8Å; E32-L42 HydrophobicContact CG-CD1 4.1Å; E32-L42 WeakPolarHBondContact OE2-CD1 3.22Å; E32-W43 PolarHBondContact N-O 2.96Å; E32-W43 VanDerWaalsContact O-O 3.12Å; E32-P44 WeakPolarHBondContact O-CA 3.49Å; E32-C45 PolarHBondContact N-SG 3.17Å; E32-C45 PolarHBondContact O-N 3.37Å
33	I	76.2	Confident	72.1	Confident	78 Å²	78	91.3 Å²	91.3	40%	0.4	44%	0.441	S	S	.	.			trans	-70.3	112.7	169.9	-68.1	128	0	0	0	109	D35 T86 V87	I33-D35 PolarHBondContact O-N 3.41Å; I33-T86 HydrophobicContact CD1-CG2 3.41Å; I33-T86 VanDerWaalsContact CD1-CG2 3.41Å; I33-T86 HydrophobicContact CG1-CG2 4.02Å; I33-T86 HydrophobicContact CG2-CG2 4.43Å; I33-V87 WeakPolarHBondContact CD1-O 3.04Å
34	V	64.4	Low	73.2	Confident	51 Å²	51	86 Å²	86	31%	0.309	41%	0.409	S	S	.	.			trans	-76.4	110.6	175.6	-176.9	0	0	0	0	108.2	E32 R36 L42 P44	E32-V34 PolarHBondContact O-N 3.3Å; E32-V34 VanDerWaalsContact O-N 3.15Å; V34-R36 PolarHBondContact O-N 3.43Å; V34-L42 WeakPolarHBondContact CG2-O 3.44Å; V34-P44 HydrophobicContact CG2-CB 3.9Å
35	D	58.8	Low	74.1	Confident	57 Å²	57	80.6 Å²	80.6	31%	0.305	38%	0.382	S	S	.	.			trans	-62.4	107	158.3	-178.2	-12.9	0	0	0	107.3	I33 E37 R38 K39	I33-D35 PolarHBondContact O-N 3.41Å; D35-E37 PolarHBondContact O-N 3.03Å; D35-E37 VanDerWaalsContact O-N 3.07Å; D35-E37 WeakPolarHBondContact OD1-CB 3.37Å; D35-E37 PolarHBondContact OD1-N 2.89Å; D35-R38 HydrophobicContact CB-CB 4.14Å; D35-R38 PolarHBondContact O-N 2.78Å; D35-R38 IonicContact OD2-CZ 3.23Å; D35-R38 VanDerWaalsContact OD2-CZ 3.23Å; D35-R38 IonicContact OD2-NE 2.74Å; D35-R38 PolarHBondContact OD2-NE 3.4Å; D35-R38 IonicContact OD2-NH2 2.88Å; D35-R38 PolarHBondContact OD2-NH2 3.49Å; D35-K39 PolarHBondContact O-N 3.33Å
36	R	56.4	Low	73.8	Confident	203 Å²	203	81.1 Å²	81.1	77%	0.766	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.9	-177	-67.4	-172.8	-175	-147.7	-1.3	111.8	V34	V34-R36 PolarHBondContact O-N 3.43Å
37	E	58.6	Low	72.9	Confident	177 Å²	177	85.9 Å²	85.9	83%	0.827	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-30.8	177.1	-60.1	-171.7	164.7	0	0	112.1	D35	D35-E37 PolarHBondContact O-N 3.03Å; D35-E37 VanDerWaalsContact O-N 3.07Å; D35-E37 WeakPolarHBondContact OD1-CB 3.37Å; D35-E37 PolarHBondContact OD1-N 2.89Å
38	R	54.8	Low	71.6	Confident	182 Å²	182	88.6 Å²	88.6	69%	0.687	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-2.1	-171.7	-83	-173.8	-89.9	178.7	-5.1	116.3	D35 M40	D35-R38 HydrophobicContact CB-CB 4.14Å; D35-R38 PolarHBondContact O-N 2.78Å; D35-R38 IonicContact OD2-CZ 3.23Å; D35-R38 VanDerWaalsContact OD2-CZ 3.23Å; D35-R38 IonicContact OD2-NE 2.74Å; D35-R38 PolarHBondContact OD2-NE 3.4Å; D35-R38 IonicContact OD2-NH2 2.88Å; D35-R38 PolarHBondContact OD2-NH2 3.49Å; R38-M40 WeakPolarHBondContact O-CG 3.37Å; R38-M40 PolarHBondContact O-N 3.08Å
39	K	56.7	Low	70.1	Confident	190 Å²	190	94 Å²	94	83%	0.826	46%	0.455	S	S	*	.			trans	38	23.9	169.2	-74.3	-167.2	179.4	-178.5	0	117.4	D35 S41	D35-K39 PolarHBondContact O-N 3.33Å; K39-S41 PolarHBondContact O-N 3.06Å; K39-S41 VanDerWaalsContact O-N 3.13Å
40	M	54.1	Low	68.7	Low	154 Å²	154	93.3 Å²	93.3	76%	0.759	46%	0.46	S	S	*	.			trans	-91.7	82.7	-177.8	-79.2	178.4	73.7	0	0	109.3	R38 L42	R38-M40 WeakPolarHBondContact O-CG 3.37Å; R38-M40 PolarHBondContact O-N 3.08Å; M40-L42 PolarHBondContact O-N 3.15Å
41	S	55	Low	67.7	Low	113 Å²	113	96.8 Å²	96.8	79%	0.79	49%	0.486	S	S	*	.	S	Bend	trans	41.1	28.6	146	79.4	0	0	0	0	122.2	K39	K39-S41 PolarHBondContact O-N 3.06Å; K39-S41 VanDerWaalsContact O-N 3.13Å
42	L	65	Low	67.3	Low	75 Å²	75	98.3 Å²	98.3	39%	0.393	49%	0.491	S	S	.	.			trans	-116.5	151.7	173.9	-62.4	172.5	0	0	0	112.5	E32 V34 M40	E32-L42 HydrophobicContact CB-CB 3.94Å; E32-L42 HydrophobicContact CB-CD1 3.8Å; E32-L42 HydrophobicContact CG-CD1 4.1Å; E32-L42 WeakPolarHBondContact OE2-CD1 3.22Å; V34-L42 WeakPolarHBondContact CG2-O 3.44Å; M40-L42 PolarHBondContact O-N 3.15Å
43	W	73.6	Confident	67.4	Low	111 Å²	111	97.4 Å²	97.4	42%	0.42	49%	0.487	S	S	.	.			trans	-71.4	129.7	180	-114.1	-112	0	0	0	110.1	C31 E32 Q53	C31-W43 CarbonylContact C-O 3.54Å; C31-W43 VanDerWaalsContact CA-O 3.25Å; C31-W43 WeakPolarHBondContact CA-O 3.36Å; C31-W43 WeakPolarHBondContact CB-O 3.46Å; E32-W43 PolarHBondContact N-O 2.96Å; E32-W43 VanDerWaalsContact O-O 3.12Å; W43-Q53 HydrophobicContact CB-CG 4.08Å; W43-Q53 HydrophobicContact CD2-CG 3.6Å; W43-Q53 HydrophobicContact CE3-CG 4.07Å; W43-Q53 HydrophobicContact CG-CG 3.62Å; W43-Q53 VanDerWaalsContact CH2-NE2 3.34Å
44	P	79.4	Confident	68.1	Low	7 Å²	7	99.9 Å²	99.9	5%	0.045	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-73.8	142.2	-176.9	35.2	-38.6	0	0	0	111.2	E32 V34 D46 N49	E32-P44 WeakPolarHBondContact O-CA 3.49Å; V34-P44 HydrophobicContact CG2-CB 3.9Å; P44-D46 VanDerWaalsContact CB-OD1 3.25Å; P44-D46 WeakPolarHBondContact CB-OD1 3.25Å; P44-D46 WeakPolarHBondContact CG-OD1 3.48Å; P44-D46 PolarHBondContact O-N 3.2Å; P44-N49 HydrophobicContact CG-CB 3.69Å; P44-N49 WeakPolarHBondContact CG-ND2 3.34Å
45	C	81.7	Confident	69.4	Low	27 Å²	27	99 Å²	99	18%	0.182	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.1	175.5	-64.3	0	0	0	0	114.3	C31 E32 E47 V87	C31-C45 HydrophobicContact CB-CB 3.96Å; C31-C45 WeakPolarHBondContact CB-SG 3.2Å; C31-C45 PolarHBondContact O-SG 3.5Å; C31-C45 VanDerWaalsContact SG-CA 3.5Å; C31-C45 WeakPolarHBondContact SG-CB 3.45Å; C31-C45 CovalentContact SG-SG 2.04Å; C31-C45 PolarHBondContact SG-SG 3.22Å; E32-C45 PolarHBondContact N-SG 3.17Å; E32-C45 PolarHBondContact O-N 3.37Å; C45-E47 VanDerWaalsContact C-N 3.28Å; C45-V87 WeakPolarHBondContact CB-O 3.34Å; C45-V87 PolarHBondContact SG-O 3.42Å
46	D	77.6	Confident	71.1	Confident	95 Å²	95	100.6 Å²	100.6	51%	0.508	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8	177.5	69.7	-1.6	0	0	0	113.2	P44 S48	P44-D46 VanDerWaalsContact CB-OD1 3.25Å; P44-D46 WeakPolarHBondContact CB-OD1 3.25Å; P44-D46 WeakPolarHBondContact CG-OD1 3.48Å; P44-D46 PolarHBondContact O-N 3.2Å; D46-S48 VanDerWaalsContact CG-OG 3.26Å; D46-S48 PolarHBondContact O-N 3.42Å; D46-S48 WeakPolarHBondContact OD1-CB 3.27Å; D46-S48 PolarHBondContact OD1-N 2.89Å; D46-S48 PolarHBondContact OD1-OG 2.99Å; D46-S48 PolarHBondContact OD2-OG 3.49Å
47	E	72.3	Confident	72.8	Confident	114 Å²	114	92.7 Å²	92.7	53%	0.533	48%	0.479	S	S	.	.	S	Bend	trans	57.3	7.3	-177.1	-61.9	177.5	-166.9	0	0	115	C45 N49 G50 W52	C45-E47 VanDerWaalsContact C-N 3.28Å; E47-N49 PolarHBondContact O-N 3.42Å; E47-G50 CarbonylContact C-O 3.53Å; E47-G50 VanDerWaalsContact CA-O 3.29Å; E47-G50 WeakPolarHBondContact CA-O 3.43Å; E47-G50 WeakPolarHBondContact O-CA 3.42Å; E47-G50 PolarHBondContact O-N 2.94Å; E47-W52 PolarHBondContact OE1-NE1 3.31Å
48	S	67.1	Low	74.4	Confident	72 Å²	72	84.5 Å²	84.5	50%	0.503	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.2	-175	62.1	0	0	0	0	112.9	D46	D46-S48 VanDerWaalsContact CG-OG 3.26Å; D46-S48 PolarHBondContact O-N 3.42Å; D46-S48 WeakPolarHBondContact OD1-CB 3.27Å; D46-S48 PolarHBondContact OD1-N 2.89Å; D46-S48 PolarHBondContact OD1-OG 2.99Å; D46-S48 PolarHBondContact OD2-OG 3.49Å
49	N	61.1	Low	76.2	Confident	114 Å²	114	80.8 Å²	80.8	61%	0.61	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	22.8	175	-64.2	-31.2	0	0	0	112.4	P44 E47	P44-N49 HydrophobicContact CG-CB 3.69Å; P44-N49 WeakPolarHBondContact CG-ND2 3.34Å; E47-N49 PolarHBondContact O-N 3.42Å
50	G	64.4	Low	77.9	Confident	26 Å²	26	71.9 Å²	71.9	27%	0.268	39%	0.391	S	S	.	.	S	Bend	trans	101.8	179.6	-177.8	0	0	0	0	0	113.5	E47	E47-G50 CarbonylContact C-O 3.53Å; E47-G50 VanDerWaalsContact CA-O 3.29Å; E47-G50 WeakPolarHBondContact CA-O 3.43Å; E47-G50 WeakPolarHBondContact O-CA 3.42Å; E47-G50 PolarHBondContact O-N 2.94Å
51	P	69	Low	79.8	Confident	103 Å²	103	64.5 Å²	64.5	67%	0.669	36%	0.355	S	S	*	.	S	Bend	trans	-59.3	155.2	179.2	27.6	-35	0	0	0	110.6
52	W	83.5	Confident	81.7	Confident	33 Å²	33	59.5 Å²	59.5	13%	0.125	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-53.6	151.1	175.2	-33.5	-26.2	0	0	0	109.3	Y29 C31 E47 K54 R89 D125	Y29-W52 HydrophobicContact CD1-CB 4.28Å; Y29-W52 AromaticContact CD1-CE3 3.86Å; Y29-W52 HydrophobicContact CD1-CE3 3.86Å; Y29-W52 AromaticContact CD2-CE3 3.77Å; Y29-W52 HydrophobicContact CD2-CE3 3.77Å; Y29-W52 AromaticContact CD2-CZ3 3.8Å; Y29-W52 HydrophobicContact CD2-CZ3 3.8Å; Y29-W52 HydrophobicContact CE1-CE3 4.47Å; Y29-W52 HydrophobicContact CE2-CE3 4.38Å; Y29-W52 HydrophobicContact CE2-CZ3 4.22Å; Y29-W52 AromaticContact CG-CE3 3.48Å; Y29-W52 HydrophobicContact CG-CE3 3.48Å; Y29-W52 VanDerWaalsContact CG-CE3 3.48Å; Y29-W52 HydrophobicContact CG-CZ3 4.02Å; C31-W52 HydrophobicContact CB-CB 4.1Å; C31-W52 HydrophobicContact CB-CG 4.29Å; E47-W52 PolarHBondContact OE1-NE1 3.31Å; W52-K54 PolarHBondContact O-N 2.93Å; W52-R89 VanDerWaalsContact CE2-NH1 3.27Å; W52-R89 VanDerWaalsContact CE3-CD 3.4Å; W52-R89 VanDerWaalsContact CZ3-CD 3.46Å; W52-D125 VanDerWaalsContact CH2-OD1 3.27Å; W52-D125 WeakPolarHBondContact CH2-OD1 3.43Å; W52-D125 HydrophobicContact CZ3-CB 4.44Å
53	Q	86.8	Confident	83	Confident	63 Å²	63	57.7 Å²	57.7	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.5	179.4	-70.4	-160.3	-20.2	0	0	110.3	Y29 E30 W43 L55	Y29-Q53 CarbonylContact C-O 3.58Å; Y29-Q53 VanDerWaalsContact CA-O 3.27Å; Y29-Q53 WeakPolarHBondContact CA-O 3.24Å; E30-Q53 HydrophobicContact CB-CB 4.48Å; E30-Q53 PolarHBondContact N-O 2.8Å; E30-Q53 PolarHBondContact O-N 3.13Å; W43-Q53 HydrophobicContact CB-CG 4.08Å; W43-Q53 HydrophobicContact CD2-CG 3.6Å; W43-Q53 HydrophobicContact CE3-CG 4.07Å; W43-Q53 HydrophobicContact CG-CG 3.62Å; W43-Q53 VanDerWaalsContact CH2-NE2 3.34Å; Q53-L55 HydrophobicContact CB-CD1 4.32Å; Q53-L55 HydrophobicContact CB-CG 4.28Å
54	K	90.9	Very high	83.9	Confident	130 Å²	130	53.6 Å²	53.6	57%	0.565	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.4	167.4	-67.3	-179.2	179.2	-176.3	0	108.1	Y29 W52 Y122	Y29-K54 HydrophobicContact CD1-CG 3.94Å; Y29-K54 HydrophobicContact CE1-CD 4.23Å; Y29-K54 HydrophobicContact CE1-CG 3.6Å; W52-K54 PolarHBondContact O-N 2.93Å; K54-Y122 HydrophobicContact CB-CE1 4.16Å; K54-Y122 HydrophobicContact CD-CE1 4.3Å; K54-Y122 HydrophobicContact CG-CE1 4.03Å
55	L	91.8	Very high	84.5	Confident	32 Å²	32	56.6 Å²	56.6	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.6	-175.3	-66.8	156.2	0	0	0	109.8	S27 C28 E30 Q53 C58 C91	S27-L55 CarbonylContact C-O 3.54Å; S27-L55 VanDerWaalsContact CA-O 3.24Å; S27-L55 WeakPolarHBondContact CA-O 3.35Å; C28-L55 PolarHBondContact N-O 3.03Å; C28-L55 PolarHBondContact O-N 3.07Å; E30-L55 HydrophobicContact CB-CD1 3.27Å; E30-L55 HydrophobicContact CG-CD1 3.96Å; E30-L55 WeakPolarHBondContact OE2-CD1 2.94Å; Q53-L55 HydrophobicContact CB-CD1 4.32Å; Q53-L55 HydrophobicContact CB-CG 4.28Å; L55-C58 PolarHBondContact O-SG 2.92Å; L55-C91 HydrophobicContact CB-CB 4.29Å; L55-C91 HydrophobicContact CD1-CB 4.04Å
56	D	92.7	Very high	85	Confident	91 Å²	91	57.4 Å²	57.4	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	172.9	172.5	-43.5	-34.1	0	0	0	108.9	N25 S27	N25-D56 WeakPolarHBondContact ND2-CB 3.25Å; S27-D56 PolarHBondContact OG-OD1 3.37Å; S27-D56 VanDerWaalsContact OG-OD1 3.09Å
57	G	92.6	Very high	85.8	Confident	38 Å²	38	54.5 Å²	54.5	39%	0.392	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.2	17	177.9	0	0	0	0	0	113.4	N25 L26	N25-G57 WeakPolarHBondContact OD1-CA 3.48Å; N25-G57 PolarHBondContact OD1-N 3.05Å; L26-G57 PolarHBondContact O-N 2.68Å
58	C	92.7	Very high	86.8	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.034	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	149.2	-179.9	-45.7	0	0	0	0	110.6	L26 C28 L55 C91 L92	L26-C58 HydrophobicContact CB-CB 4.16Å; L26-C58 WeakPolarHBondContact CB-O 3.25Å; L26-C58 HydrophobicContact CD2-CB 4.28Å; L26-C58 VanDerWaalsContact O-CB 3.25Å; L26-C58 WeakPolarHBondContact O-CB 3Å; L26-C58 PolarHBondContact O-N 2.98Å; L26-C58 PolarHBondContact O-SG 2.77Å; C28-C58 HydrophobicContact CB-CB 4.37Å; C28-C58 WeakPolarHBondContact SG-CB 3.42Å; C28-C58 PolarHBondContact SG-SG 3.38Å; L55-C58 PolarHBondContact O-SG 2.92Å; C58-C91 VanDerWaalsContact CA-SG 3.6Å; C58-C91 HydrophobicContact CB-CB 4.17Å; C58-C91 WeakPolarHBondContact CB-SG 3.12Å; C58-C91 WeakPolarHBondContact SG-CB 3.31Å; C58-C91 CovalentContact SG-SG 2.02Å; C58-C91 PolarHBondContact SG-SG 3.09Å; C58-L92 CarbonylContact C-O 3.51Å; C58-L92 WeakPolarHBondContact CA-O 2.89Å
59	K	92.5	Very high	88	Confident	104 Å²	104	53.8 Å²	53.8	45%	0.452	28%	0.279	S	S	.	.	S	Bend	trans	-88.9	-33.1	169.4	-65.4	-55.8	-161.5	158.1	0	111.6	L92 E96	K59-L92 WeakPolarHBondContact CB-O 3.11Å; K59-L92 PolarHBondContact N-O 2.59Å; K59-E96 HydrophobicContact CB-CG 3.8Å; K59-E96 HydrophobicContact CD-CG 3.89Å; K59-E96 HydrophobicContact CG-CG 4.08Å; K59-E96 IonicContact NZ-OE1 2.89Å; K59-E96 PolarHBondContact NZ-OE1 3.06Å
60	A	93.2	Very high	89.3	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	153.6	173	0	0	0	0	0	109.6	L92 P97	A60-L92 HydrophobicContact CB-CB 4.48Å; A60-L92 HydrophobicContact CB-CD1 4.15Å; A60-L92 WeakPolarHBondContact O-CB 3.21Å; A60-L92 PolarHBondContact O-N 3.07Å; A60-P97 HydrophobicContact CB-CG 3.59Å
61	C	93.7	Very high	90.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.3	167.6	-47.3	0	0	0	0	110	C28 Y117 C118 N124	C28-C61 VanDerWaalsContact CA-SG 3.53Å; C28-C61 HydrophobicContact CB-CB 3.76Å; C28-C61 WeakPolarHBondContact CB-SG 3.4Å; C28-C61 WeakPolarHBondContact SG-CA 3.39Å; C28-C61 WeakPolarHBondContact SG-CB 3.33Å; C28-C61 PolarHBondContact SG-N 3.32Å; C28-C61 CovalentContact SG-SG 2.02Å; C28-C61 PolarHBondContact SG-SG 2.95Å; C61-Y117 WeakPolarHBondContact O-CA 3.27Å; C61-C118 PolarHBondContact N-O 3.23Å; C61-C118 PolarHBondContact O-N 2.76Å; C61-N124 HydrophobicContact CB-CB 3.74Å
62	I	93.7	Very high	91.2	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.2	172.6	-52.4	178.9	0	0	0	109.6	I64 R89 L90 L92 R115 C116 Y117 N124	I62-I64 HydrophobicContact CG2-CD1 4.29Å; I62-I64 HydrophobicContact CG2-CG1 3.68Å; I62-R89 WeakPolarHBondContact O-CA 3.08Å; I62-L90 HydrophobicContact CB-CB 4.27Å; I62-L90 PolarHBondContact N-O 3.06Å; I62-L90 PolarHBondContact O-N 3.48Å; I62-L92 HydrophobicContact CD1-CD1 3.65Å; I62-L92 HydrophobicContact CD1-CD2 3.65Å; I62-L92 HydrophobicContact CD1-CG 3.54Å; I62-L92 HydrophobicContact CG1-CD1 4.12Å; I62-L92 HydrophobicContact CG1-CG 3.96Å; I62-R115 HydrophobicContact CG2-CG 3.56Å; I62-C116 CarbonylContact C-O 3.5Å; I62-C116 VanDerWaalsContact CA-O 3.3Å; I62-C116 WeakPolarHBondContact CA-O 3.07Å; I62-Y117 HydrophobicContact CD1-CD1 3.97Å; I62-Y117 HydrophobicContact CD1-CE1 3.46Å; I62-Y117 VanDerWaalsContact CD1-CE1 3.46Å; I62-Y117 HydrophobicContact CG1-CD1 3.73Å; I62-Y117 HydrophobicContact CG1-CE1 3.78Å; I62-N124 PolarHBondContact O-ND2 2.83Å
63	K	92.9	Very high	91.2	Very high	37 Å²	37	62.9 Å²	62.9	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.2	159.2	-177.6	-179.2	173.7	-178	0	109.3	V87 R115 C116 N124 D126	K63-V87 HydrophobicContact CG-CG1 4.3Å; K63-R115 WeakPolarHBondContact O-CA 3.3Å; K63-C116 PolarHBondContact N-O 2.86Å; K63-C116 PolarHBondContact O-N 3.17Å; K63-N124 HydrophobicContact CB-CB 4.2Å; K63-D126 WeakPolarHBondContact CE-OD1 3.36Å; K63-D126 IonicContact NZ-OD1 2.97Å; K63-D126 PolarHBondContact NZ-OD1 3.32Å; K63-D126 IonicContact NZ-OD2 3.2Å; K63-D126 PolarHBondContact NZ-OD2 2.55Å
64	I	92.7	Very high	91.1	Very high	25 Å²	25	68 Å²	68	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.9	176	-53.4	-179	0	0	0	107.6	I62 V87 S88 L90 Q113 K114 R115	I62-I64 HydrophobicContact CG2-CD1 4.29Å; I62-I64 HydrophobicContact CG2-CG1 3.68Å; I64-V87 CarbonylContact O-C 3.48Å; I64-V87 VanDerWaalsContact O-CA 3.27Å; I64-V87 WeakPolarHBondContact O-CA 3.29Å; I64-S88 PolarHBondContact N-O 3.44Å; I64-S88 PolarHBondContact O-N 3.43Å; I64-L90 HydrophobicContact CD1-CD1 3.76Å; I64-Q113 HydrophobicContact CG2-CG 3.61Å; I64-K114 WeakPolarHBondContact CA-O 3.34Å; I64-R115 HydrophobicContact CG1-CG 4.18Å
65	E	92.3	Very high	90.6	Very high	70 Å²	70	66 Å²	66	33%	0.327	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.6	171.5	-179.1	-179.6	-177.9	0	0	107.6	T85 T86 V87 Q113 K114	E65-T85 HydrophobicContact CG-CG2 4.08Å; E65-T86 CarbonylContact C-O 3.44Å; E65-T86 WeakPolarHBondContact CA-O 3.49Å; E65-V87 HydrophobicContact CG-CG2 4.36Å; E65-Q113 CarbonylContact O-C 3.49Å; E65-Q113 WeakPolarHBondContact O-CA 3.02Å; E65-K114 HydrophobicContact CB-CB 4.46Å; E65-K114 PolarHBondContact N-O 2.82Å; E65-K114 PolarHBondContact O-N 3.22Å
66	E	92.7	Very high	90	Very high	44 Å²	44	71.8 Å²	71.8	21%	0.206	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.9	178.7	179.9	175	174.9	0	0	109.6	Q68 T85 T86 T112 Q113	E66-Q68 HydrophobicContact CG-CG 3.98Å; E66-Q68 PolarHBondContact OE1-NE2 3.21Å; E66-T85 CarbonylContact O-C 3.55Å; E66-T85 VanDerWaalsContact O-CA 3.3Å; E66-T85 WeakPolarHBondContact O-CA 3.21Å; E66-T86 WeakPolarHBondContact CB-OG1 3.29Å; E66-T86 PolarHBondContact N-O 3.05Å; E66-T86 PolarHBondContact O-N 2.76Å; E66-T86 PolarHBondContact O-OG1 3.08Å; E66-T112 CarbonylContact C-O 3.58Å; E66-T112 WeakPolarHBondContact CA-O 3.38Å; E66-Q113 HydrophobicContact CB-CB 4.41Å; E66-Q113 HydrophobicContact CB-CG 4.35Å; E66-Q113 HydrophobicContact CG-CB 4.41Å; E66-Q113 PolarHBondContact OE2-NE2 3.09Å
67	V	93.9	Very high	89.7	Confident	33 Å²	33	78.7 Å²	78.7	20%	0.2	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.9	177	-179.7	0	0	0	0	106.5	E83 I84 T85 S111 T112	V67-E83 HydrophobicContact CG1-CG 3.33Å; V67-E83 WeakPolarHBondContact CG1-OE1 3.28Å; V67-I84 CarbonylContact C-O 3.58Å; V67-I84 WeakPolarHBondContact CA-O 3.04Å; V67-T85 HydrophobicContact CG2-CG2 4.14Å; V67-S111 CarbonylContact O-C 3.53Å; V67-S111 WeakPolarHBondContact O-CA 3.25Å; V67-S111 WeakPolarHBondContact O-CB 3.08Å; V67-T112 PolarHBondContact N-O 3.18Å; V67-T112 PolarHBondContact O-N 2.68Å
68	Q	92.2	Very high	89.3	Confident	75 Å²	75	80.2 Å²	80.2	35%	0.35	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.7	-179.8	-63.1	-174.9	-16.3	0	0	110.2	E66 E83 I84	E66-Q68 HydrophobicContact CG-CG 3.98Å; E66-Q68 PolarHBondContact OE1-NE2 3.21Å; Q68-E83 CarbonylContact O-C 3.45Å; Q68-E83 VanDerWaalsContact O-CA 3.31Å; Q68-E83 WeakPolarHBondContact O-CA 3.49Å; Q68-I84 PolarHBondContact N-O 2.94Å; Q68-I84 PolarHBondContact O-N 2.84Å
69	R	92	Very high	88.9	Confident	96 Å²	96	85.2 Å²	85.2	36%	0.362	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.3	172.3	179.5	176.7	173.3	134.2	-6	109.6	D71 Y81 S110	R69-D71 IonicContact CZ-OD1 3.79Å; R69-D71 IonicContact NE-OD1 3Å; R69-D71 PolarHBondContact NE-OD1 3.39Å; R69-D71 IonicContact NH2-OD1 3.64Å; R69-Y81 HydrophobicContact CG-CD2 3.68Å; R69-Y81 HydrophobicContact CG-CE2 4.45Å; R69-Y81 HydrophobicContact CG-CG 3.96Å; R69-Y81 VanDerWaalsContact CZ-CE1 3.47Å; R69-Y81 VanDerWaalsContact CZ-CG 3.42Å; R69-Y81 VanDerWaalsContact NH1-CE1 3.28Å; R69-Y81 VanDerWaalsContact NH1-CZ 3.34Å; R69-S110 PolarHBondContact N-O 3.43Å; R69-S110 WeakPolarHBondContact O-CB 3.44Å
70	I	89.2	Confident	88.6	Confident	74 Å²	74	86.6 Å²	86.6	38%	0.379	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	101.9	178.4	-57.5	173.7	0	0	0	107.9	Y81 H82 I84	I70-Y81 CarbonylContact O-C 3.5Å; I70-Y81 VanDerWaalsContact O-CA 3.24Å; I70-Y81 WeakPolarHBondContact O-CA 3.09Å; I70-H82 PolarHBondContact N-O 3.35Å; I70-H82 PolarHBondContact O-N 3.22Å; I70-I84 HydrophobicContact CD1-CD1 3.43Å; I70-I84 VanDerWaalsContact CD1-CD1 3.43Å; I70-I84 HydrophobicContact CD1-CG1 3.98Å
71	D	88.9	Confident	88.5	Confident	92 Å²	92	91 Å²	91	49%	0.492	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.3	177	-61.3	-51.5	0	0	0	110.7	R69 Y81	R69-D71 IonicContact CZ-OD1 3.79Å; R69-D71 IonicContact NE-OD1 3Å; R69-D71 PolarHBondContact NE-OD1 3.39Å; R69-D71 IonicContact NH2-OD1 3.64Å; D71-Y81 WeakPolarHBondContact OD1-CB 3.03Å
72	F	84.9	Confident	88.3	Confident	52 Å²	52	95.3 Å²	95.3	23%	0.228	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.5	177.5	-65	-52.6	0	0	0	110.4	K74 Q79 Q80 H82	F72-K74 PolarHBondContact O-N 2.01Å; F72-K74 VanDerWaalsContact O-N 3.17Å; F72-Q79 HydrophobicContact CD2-CB 4.37Å; F72-Q79 WeakPolarHBondContact CD2-O 3.44Å; F72-Q79 HydrophobicContact CE2-CB 4.05Å; F72-Q80 PolarHBondContact N-O 3.17Å; F72-H82 HydrophobicContact CE1-CB 4.06Å; F72-H82 HydrophobicContact CE2-CB 4.1Å; F72-H82 HydrophobicContact CZ-CB 3.53Å
73	R	82.9	Confident	88.1	Confident	250 Å²	250	99.9 Å²	99.9	94%	0.943	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	-30.9	172.5	-173	176	179.8	178.4	2	112.9
74	K	84.9	Confident	88	Confident	171 Å²	171	101 Å²	101	74%	0.743	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.8	172.7	-69.1	-173.9	178.8	-176.5	0	107.8	F72 R76	F72-K74 PolarHBondContact O-N 2.01Å; F72-K74 VanDerWaalsContact O-N 3.17Å; K74-R76 PolarHBondContact O-N 3.01Å
75	P	81.2	Confident	87.9	Confident	86 Å²	86	103.6 Å²	103.6	56%	0.558	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53	130.5	178.1	-27.8	35.3	0	0	0	111	Q79	P75-Q79 VanDerWaalsContact CA-O 3.24Å; P75-Q79 WeakPolarHBondContact CA-O 3.44Å; P75-Q79 WeakPolarHBondContact CB-O 3.38Å
76	R	78.1	Confident	87.8	Confident	154 Å²	154	101.5 Å²	101.5	58%	0.581	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.2	173.8	-61.1	-171.8	-161.2	161.6	5.6	107.9	K74 G78 Q79	K74-R76 PolarHBondContact O-N 3.01Å; R76-G78 PolarHBondContact O-N 3.13Å; R76-G78 VanDerWaalsContact O-N 3.13Å; R76-Q79 PolarHBondContact N-O 2.88Å; R76-Q79 WeakPolarHBondContact O-CB 3.17Å; R76-Q79 PolarHBondContact O-N 2.71Å
77	W	85.7	Confident	87.6	Confident	236 Å²	236	101.1 Å²	101.1	89%	0.894	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.6	177.2	-48.4	-67.1	0	0	0	114.5	Q79	W77-Q79 VanDerWaalsContact C-N 3.28Å; W77-Q79 PolarHBondContact O-N 3.17Å
78	G	84.5	Confident	87.5	Confident	71 Å²	71	100.4 Å²	100.4	73%	0.732	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-5.7	-179.1	0	0	0	0	0	115.2	R76	R76-G78 PolarHBondContact O-N 3.13Å; R76-G78 VanDerWaalsContact O-N 3.13Å
79	Q	84.5	Confident	87.5	Confident	110 Å²	110	97.4 Å²	97.4	51%	0.514	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.6	174.2	-62.9	-178.6	-34.9	0	0	110.2	F72 P75 R76 W77	F72-Q79 HydrophobicContact CD2-CB 4.37Å; F72-Q79 WeakPolarHBondContact CD2-O 3.44Å; F72-Q79 HydrophobicContact CE2-CB 4.05Å; P75-Q79 VanDerWaalsContact CA-O 3.24Å; P75-Q79 WeakPolarHBondContact CA-O 3.44Å; P75-Q79 WeakPolarHBondContact CB-O 3.38Å; R76-Q79 PolarHBondContact N-O 2.88Å; R76-Q79 WeakPolarHBondContact O-CB 3.17Å; R76-Q79 PolarHBondContact O-N 2.71Å; W77-Q79 VanDerWaalsContact C-N 3.28Å; W77-Q79 PolarHBondContact O-N 3.17Å
80	Q	87.8	Confident	87.6	Confident	133 Å²	133	95 Å²	95	62%	0.621	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	-22.9	178.7	-67.2	-178.8	-21.8	0	0	112.7	F72	F72-Q80 PolarHBondContact N-O 3.17Å
81	Y	89.5	Confident	87.7	Confident	94 Å²	94	91.8 Å²	91.8	37%	0.369	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	165	-177.4	66.2	-82.8	0	0	0	110.6	R69 I70 D71 E83	R69-Y81 HydrophobicContact CG-CD2 3.68Å; R69-Y81 HydrophobicContact CG-CE2 4.45Å; R69-Y81 HydrophobicContact CG-CG 3.96Å; R69-Y81 VanDerWaalsContact CZ-CE1 3.47Å; R69-Y81 VanDerWaalsContact CZ-CG 3.42Å; R69-Y81 VanDerWaalsContact NH1-CE1 3.28Å; R69-Y81 VanDerWaalsContact NH1-CZ 3.34Å; I70-Y81 CarbonylContact O-C 3.5Å; I70-Y81 VanDerWaalsContact O-CA 3.24Å; I70-Y81 WeakPolarHBondContact O-CA 3.09Å; D71-Y81 WeakPolarHBondContact OD1-CB 3.03Å; Y81-E83 HydrophobicContact CE2-CB 4.5Å
82	H	89	Confident	87.9	Confident	91 Å²	91	89.7 Å²	89.7	42%	0.421	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.1	167.2	-178.9	60.5	0	0	0	108.9	I70 F72 I84	I70-H82 PolarHBondContact N-O 3.35Å; I70-H82 PolarHBondContact O-N 3.22Å; F72-H82 HydrophobicContact CE1-CB 4.06Å; F72-H82 HydrophobicContact CE2-CB 4.1Å; F72-H82 HydrophobicContact CZ-CB 3.53Å; H82-I84 VanDerWaalsContact CD2-CG1 3.42Å; H82-I84 WeakPolarHBondContact CD2-CG1 3.09Å
83	E	91	Very high	88.2	Confident	103 Å²	103	92.8 Å²	92.8	48%	0.481	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130	175.4	-170.4	171.1	106.8	0	0	109.2	V67 Q68 Y81	V67-E83 HydrophobicContact CG1-CG 3.33Å; V67-E83 WeakPolarHBondContact CG1-OE1 3.28Å; Q68-E83 CarbonylContact O-C 3.45Å; Q68-E83 VanDerWaalsContact O-CA 3.31Å; Q68-E83 WeakPolarHBondContact O-CA 3.49Å; Y81-E83 HydrophobicContact CE2-CB 4.5Å
84	I	90.6	Very high	88.4	Confident	62 Å²	62	89.4 Å²	89.4	32%	0.318	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.1	175.2	-58.2	-173.6	0	0	0	108	V67 Q68 I70 H82 T86	V67-I84 CarbonylContact C-O 3.58Å; V67-I84 WeakPolarHBondContact CA-O 3.04Å; Q68-I84 PolarHBondContact N-O 2.94Å; Q68-I84 PolarHBondContact O-N 2.84Å; I70-I84 HydrophobicContact CD1-CD1 3.43Å; I70-I84 VanDerWaalsContact CD1-CD1 3.43Å; I70-I84 HydrophobicContact CD1-CG1 3.98Å; H82-I84 VanDerWaalsContact CD2-CG1 3.42Å; H82-I84 WeakPolarHBondContact CD2-CG1 3.09Å; I84-T86 HydrophobicContact CG2-CG2 4.22Å
85	T	90.5	Very high	88.6	Confident	78 Å²	78	88.8 Å²	88.8	48%	0.479	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.2	170.3	-51.6	0	0	0	0	110	E65 E66 V67	E65-T85 HydrophobicContact CG-CG2 4.08Å; E66-T85 CarbonylContact O-C 3.55Å; E66-T85 VanDerWaalsContact O-CA 3.3Å; E66-T85 WeakPolarHBondContact O-CA 3.21Å; V67-T85 HydrophobicContact CG2-CG2 4.14Å
86	T	88.9	Confident	88.8	Confident	27 Å²	27	91.2 Å²	91.2	17%	0.166	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.8	-176	33	0	0	0	0	109.4	I33 E65 E66 I84	I33-T86 HydrophobicContact CD1-CG2 3.41Å; I33-T86 VanDerWaalsContact CD1-CG2 3.41Å; I33-T86 HydrophobicContact CG1-CG2 4.02Å; I33-T86 HydrophobicContact CG2-CG2 4.43Å; E65-T86 CarbonylContact C-O 3.44Å; E65-T86 WeakPolarHBondContact CA-O 3.49Å; E66-T86 WeakPolarHBondContact CB-OG1 3.29Å; E66-T86 PolarHBondContact N-O 3.05Å; E66-T86 PolarHBondContact O-N 2.76Å; E66-T86 PolarHBondContact O-OG1 3.08Å; I84-T86 HydrophobicContact CG2-CG2 4.22Å
87	V	90.2	Very high	89.3	Confident	35 Å²	35	85.4 Å²	85.4	21%	0.212	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.7	174.9	-179.3	0	0	0	0	109.5	I33 C45 K63 I64 E65	I33-V87 WeakPolarHBondContact CD1-O 3.04Å; C45-V87 WeakPolarHBondContact CB-O 3.34Å; C45-V87 PolarHBondContact SG-O 3.42Å; K63-V87 HydrophobicContact CG-CG1 4.3Å; I64-V87 CarbonylContact O-C 3.48Å; I64-V87 VanDerWaalsContact O-CA 3.27Å; I64-V87 WeakPolarHBondContact O-CA 3.29Å; E65-V87 HydrophobicContact CG-CG2 4.36Å
88	S	91.3	Very high	89.3	Confident	19 Å²	19	79.7 Å²	79.7	13%	0.133	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151	170.5	-63.9	0	0	0	0	110.4	C31 I64	C31-S88 WeakPolarHBondContact O-CA 3.41Å; I64-S88 PolarHBondContact N-O 3.44Å; I64-S88 PolarHBondContact O-N 3.43Å
89	R	92.7	Very high	89.3	Confident	11 Å²	11	82 Å²	82	4%	0.042	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.9	179.1	-66.5	-174.9	-175.9	86.6	-0.1	109.4	Y29 E30 C31 W52 I62 N124 D126	Y29-R89 CarbonylContact O-C 3.55Å; Y29-R89 WeakPolarHBondContact O-CB 2.98Å; E30-R89 VanDerWaalsContact CA-O 3.28Å; E30-R89 WeakPolarHBondContact CA-O 3.28Å; C31-R89 PolarHBondContact N-O 3.43Å; C31-R89 PolarHBondContact O-N 2.02Å; W52-R89 VanDerWaalsContact CE2-NH1 3.27Å; W52-R89 VanDerWaalsContact CE3-CD 3.4Å; W52-R89 VanDerWaalsContact CZ3-CD 3.46Å; I62-R89 WeakPolarHBondContact O-CA 3.08Å; R89-N124 WeakPolarHBondContact CD-O 3.46Å; R89-N124 PolarHBondContact NE-O 2.81Å; R89-D126 IonicContact CZ-OD1 2.81Å; R89-D126 IonicContact NE-OD1 4Å; R89-D126 IonicContact NH2-OD1 2.76Å; R89-D126 PolarHBondContact NH2-OD1 2.02Å; R89-D126 IonicContact NH2-OD2 3.86Å
90	L	92.3	Very high	89.2	Confident	46 Å²	46	80.1 Å²	80.1	24%	0.241	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.9	-173.5	-59.2	166.9	0	0	0	111.8	I62 I64	I62-L90 HydrophobicContact CB-CB 4.27Å; I62-L90 PolarHBondContact N-O 3.06Å; I62-L90 PolarHBondContact O-N 3.48Å; I64-L90 HydrophobicContact CD1-CD1 3.76Å
91	C	93	Very high	89.3	Confident	7 Å²	7	78.1 Å²	78.1	5%	0.047	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.4	166.1	168.6	0	0	0	0	109.1	C28 E30 L55 C58 R93	C28-C91 HydrophobicContact CB-CB 4.03Å; E30-C91 PolarHBondContact OE1-N 2.99Å; L55-C91 HydrophobicContact CB-CB 4.29Å; L55-C91 HydrophobicContact CD1-CB 4.04Å; C58-C91 VanDerWaalsContact CA-SG 3.6Å; C58-C91 HydrophobicContact CB-CB 4.17Å; C58-C91 WeakPolarHBondContact CB-SG 3.12Å; C58-C91 WeakPolarHBondContact SG-CB 3.31Å; C58-C91 CovalentContact SG-SG 2.02Å; C58-C91 PolarHBondContact SG-SG 3.09Å; C91-R93 PolarHBondContact O-N 3.42Å; C91-R93 PolarHBondContact O-NH1 3.19Å
92	L	93.1	Very high	89.5	Confident	48 Å²	48	76.1 Å²	76.1	25%	0.251	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	116.8	173.9	-73.6	-172.8	0	0	0	109.8	C58 K59 A60 I62 P97 Y117	C58-L92 CarbonylContact C-O 3.51Å; C58-L92 WeakPolarHBondContact CA-O 2.89Å; K59-L92 WeakPolarHBondContact CB-O 3.11Å; K59-L92 PolarHBondContact N-O 2.59Å; A60-L92 HydrophobicContact CB-CB 4.48Å; A60-L92 HydrophobicContact CB-CD1 4.15Å; A60-L92 WeakPolarHBondContact O-CB 3.21Å; A60-L92 PolarHBondContact O-N 3.07Å; I62-L92 HydrophobicContact CD1-CD1 3.65Å; I62-L92 HydrophobicContact CD1-CD2 3.65Å; I62-L92 HydrophobicContact CD1-CG 3.54Å; I62-L92 HydrophobicContact CG1-CD1 4.12Å; I62-L92 HydrophobicContact CG1-CG 3.96Å; L92-P97 HydrophobicContact CD1-CB 4.29Å; L92-P97 HydrophobicContact CD1-CG 4.34Å; L92-Y117 HydrophobicContact CD1-CD1 4.49Å; L92-Y117 HydrophobicContact CD1-CE1 4.21Å
93	R	90.8	Very high	89.7	Confident	117 Å²	117	74.8 Å²	74.8	44%	0.442	39%	0.39	S	S	.	.			trans	-105.8	-28.9	-178.9	-62	173.5	-174.3	93.2	-24.2	114	E30 C91	E30-R93 IonicContact OE1-CZ 3.87Å; E30-R93 IonicContact OE1-NH1 3.78Å; E30-R93 PolarHBondContact OE1-NH1 2.89Å; E30-R93 IonicContact OE1-NH2 2.87Å; E30-R93 IonicContact OE2-CZ 3.49Å; E30-R93 IonicContact OE2-NH1 3.89Å; E30-R93 PolarHBondContact OE2-NH1 2.61Å; E30-R93 IonicContact OE2-NH2 2.61Å; E30-R93 PolarHBondContact OE2-NH2 3.49Å; C91-R93 PolarHBondContact O-N 3.42Å; C91-R93 PolarHBondContact O-NH1 3.19Å
94	K	87.8	Confident	89.9	Confident	179 Å²	179	73.5 Å²	73.5	78%	0.778	38%	0.383	S	S	*	.	S	Bend	trans	-92	-34.3	-169.8	-67.3	-176.4	179.5	178.6	0	114.2
95	F	87.6	Confident	90.2	Very high	157 Å²	157	75.9 Å²	75.9	69%	0.689	39%	0.392	S	S	*	.			trans	-138.3	141.6	-171.1	-51.4	-71.8	0	0	0	110.2
96	E	86.6	Confident	90.4	Very high	137 Å²	137	75.9 Å²	75.9	64%	0.64	39%	0.392	S	S	*	.			trans	-79.7	130.3	166.4	-74.2	166.6	-157.5	0	0	108	K59	K59-E96 HydrophobicContact CB-CG 3.8Å; K59-E96 HydrophobicContact CD-CG 3.89Å; K59-E96 HydrophobicContact CG-CG 4.08Å; K59-E96 IonicContact NZ-OE1 2.89Å; K59-E96 PolarHBondContact NZ-OE1 3.06Å
97	P	87.3	Confident	90.6	Very high	32 Å²	32	82.3 Å²	82.3	21%	0.208	42%	0.415	C	S	.	.			trans	-66.9	146.6	178.6	31	-35.8	0	0	0	109.7	A60 L92 F99 Y117	A60-P97 HydrophobicContact CB-CG 3.59Å; L92-P97 HydrophobicContact CD1-CB 4.29Å; L92-P97 HydrophobicContact CD1-CG 4.34Å; P97-F99 VanDerWaalsContact CB-O 3.32Å; P97-F99 WeakPolarHBondContact CB-O 3.34Å; P97-F99 VanDerWaalsContact CG-O 3.28Å; P97-F99 WeakPolarHBondContact CG-O 3.27Å; P97-F99 PolarHBondContact O-N 2.93Å; P97-Y117 HydrophobicContact CB-CD1 3.65Å; P97-Y117 HydrophobicContact CB-CE1 3.74Å; P97-Y117 HydrophobicContact CG-CD1 3.91Å; P97-Y117 HydrophobicContact CG-CE1 4.45Å
98	S	86.7	Confident	90.6	Very high	116 Å²	116	82.7 Å²	82.7	81%	0.811	43%	0.426	S	S	*	.	S	Bend	trans	-63.3	-12.9	174	-52.1	0	0	0	0	113.3
99	F	84	Confident	90.4	Very high	120 Å²	120	87.9 Å²	87.9	53%	0.526	46%	0.462	S	S	.	.	S	Bend	trans	-134.1	130.3	178.4	-42.2	-83.6	0	0	0	109.1	P97 T102 F104	P97-F99 VanDerWaalsContact CB-O 3.32Å; P97-F99 WeakPolarHBondContact CB-O 3.34Å; P97-F99 VanDerWaalsContact CG-O 3.28Å; P97-F99 WeakPolarHBondContact CG-O 3.27Å; P97-F99 PolarHBondContact O-N 2.93Å; F99-T102 HydrophobicContact CB-CG2 3.5Å; F99-T102 HydrophobicContact CG-CG2 4.46Å; F99-F104 HydrophobicContact CB-CE2 3.89Å; F99-F104 HydrophobicContact CB-CZ 3.78Å; F99-F104 AromaticContact CD1-CZ 3.94Å; F99-F104 HydrophobicContact CD1-CZ 3.94Å; F99-F104 HydrophobicContact CD2-CE1 4.48Å; F99-F104 AromaticContact CD2-CE2 3.73Å; F99-F104 HydrophobicContact CD2-CE2 3.73Å; F99-F104 AromaticContact CD2-CZ 3.47Å; F99-F104 HydrophobicContact CD2-CZ 3.47Å; F99-F104 VanDerWaalsContact CD2-CZ 3.47Å; F99-F104 HydrophobicContact CE1-CZ 4.38Å; F99-F104 HydrophobicContact CE2-CE2 4.47Å; F99-F104 AromaticContact CE2-CZ 3.98Å; F99-F104 HydrophobicContact CE2-CZ 3.98Å; F99-F104 AromaticContact CG-CE2 3.91Å; F99-F104 HydrophobicContact CG-CE2 3.91Å; F99-F104 AromaticContact CG-CZ 3.45Å; F99-F104 HydrophobicContact CG-CZ 3.45Å; F99-F104 VanDerWaalsContact CG-CZ 3.45Å; F99-F104 HydrophobicContact CZ-CZ 4.4Å
100	S	82.7	Confident	90.2	Very high	71 Å²	71	89.7 Å²	89.7	50%	0.497	48%	0.476	S	S	.	.			trans	-111.9	156.1	170.3	74.6	0	0	0	0	110.1	T102	S100-T102 PolarHBondContact O-N 3.05Å; S100-T102 VanDerWaalsContact O-N 3.17Å
101	D	89.3	Confident	90.3	Very high	90 Å²	90	89.3 Å²	89.3	48%	0.481	48%	0.478	S	S	.	.	S	Bend	trans	55.8	37.8	170.9	-51	-61.3	0	0	0	113.9	Y117 C118 S119	D101-Y117 CarbonylContact C-O 3.47Å; D101-Y117 WeakPolarHBondContact CA-O 3.38Å; D101-Y117 PolarHBondContact N-O 2.81Å; D101-Y117 VanDerWaalsContact N-O 3.09Å; D101-C118 WeakPolarHBondContact OD1-CA 3.46Å; D101-S119 PolarHBondContact OD1-N 2.93Å; D101-S119 PolarHBondContact OD1-OG 2.8Å; D101-S119 PolarHBondContact OD2-OG 3.28Å
102	T	93.3	Very high	90.4	Very high	53 Å²	53	91.2 Å²	91.2	33%	0.325	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.5	-178.2	-169.2	0	0	0	0	112	F99 S100 F104 C116 Y117	F99-T102 HydrophobicContact CB-CG2 3.5Å; F99-T102 HydrophobicContact CG-CG2 4.46Å; S100-T102 PolarHBondContact O-N 3.05Å; S100-T102 VanDerWaalsContact O-N 3.17Å; T102-F104 HydrophobicContact CG2-CD2 4.36Å; T102-F104 HydrophobicContact CG2-CE2 3.42Å; T102-F104 VanDerWaalsContact CG2-CE2 3.42Å; T102-F104 HydrophobicContact CG2-CZ 3.53Å; T102-C116 WeakPolarHBondContact O-CA 3.47Å; T102-Y117 PolarHBondContact N-O 2.83Å; T102-Y117 VanDerWaalsContact N-O 3.09Å; T102-Y117 PolarHBondContact O-N 2.96Å
103	C	95.1	Very high	90.5	Very high	62 Å²	62	90.7 Å²	90.7	42%	0.419	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.7	177.4	-56.6	0	0	0	0	111.7	R115 C116	C103-R115 CarbonylContact C-O 3.52Å; C103-R115 WeakPolarHBondContact CA-O 3.3Å; C103-C116 HydrophobicContact CB-CB 4.1Å; C103-C116 WeakPolarHBondContact CB-SG 3.25Å; C103-C116 WeakPolarHBondContact SG-CB 3.5Å; C103-C116 CovalentContact SG-SG 2.04Å; C103-C116 PolarHBondContact SG-SG 2.9Å
104	F	94.8	Very high	90.7	Very high	77 Å²	77	88.9 Å²	88.9	34%	0.338	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145	173.9	-57.7	-81.3	0	0	0	110.3	F99 T102 K114 R115 Y117	F99-F104 HydrophobicContact CB-CE2 3.89Å; F99-F104 HydrophobicContact CB-CZ 3.78Å; F99-F104 AromaticContact CD1-CZ 3.94Å; F99-F104 HydrophobicContact CD1-CZ 3.94Å; F99-F104 HydrophobicContact CD2-CE1 4.48Å; F99-F104 AromaticContact CD2-CE2 3.73Å; F99-F104 HydrophobicContact CD2-CE2 3.73Å; F99-F104 AromaticContact CD2-CZ 3.47Å; F99-F104 HydrophobicContact CD2-CZ 3.47Å; F99-F104 VanDerWaalsContact CD2-CZ 3.47Å; F99-F104 HydrophobicContact CE1-CZ 4.38Å; F99-F104 HydrophobicContact CE2-CE2 4.47Å; F99-F104 AromaticContact CE2-CZ 3.98Å; F99-F104 HydrophobicContact CE2-CZ 3.98Å; F99-F104 AromaticContact CG-CE2 3.91Å; F99-F104 HydrophobicContact CG-CE2 3.91Å; F99-F104 AromaticContact CG-CZ 3.45Å; F99-F104 HydrophobicContact CG-CZ 3.45Å; F99-F104 VanDerWaalsContact CG-CZ 3.45Å; F99-F104 HydrophobicContact CZ-CZ 4.4Å; T102-F104 HydrophobicContact CG2-CD2 4.36Å; T102-F104 HydrophobicContact CG2-CE2 3.42Å; T102-F104 VanDerWaalsContact CG2-CE2 3.42Å; T102-F104 HydrophobicContact CG2-CZ 3.53Å; F104-K114 CarbonylContact O-C 3.52Å; F104-K114 WeakPolarHBondContact O-CA 3.32Å; F104-R115 PolarHBondContact N-O 2.97Å; F104-R115 PolarHBondContact O-N 3.06Å; F104-Y117 HydrophobicContact CD2-CD2 4.09Å; F104-Y117 AromaticContact CD2-CE2 3.9Å; F104-Y117 HydrophobicContact CD2-CE2 3.9Å; F104-Y117 HydrophobicContact CE2-CD2 4.11Å; F104-Y117 HydrophobicContact CE2-CE2 4.13Å
105	Q	95.9	Very high	91	Very high	111 Å²	111	84.6 Å²	84.6	52%	0.519	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.7	171	-73.4	178	-27.7	0	0	109.7	Y107 Q113 K114	Q105-Y107 HydrophobicContact CB-CE2 4.07Å; Q105-Y107 PolarHBondContact OE1-OH 2.96Å; Q105-Q113 CarbonylContact C-O 3.55Å; Q105-Q113 VanDerWaalsContact CA-O 3.3Å; Q105-Q113 WeakPolarHBondContact CA-O 3.46Å; Q105-K114 HydrophobicContact CG-CB 4.2Å; Q105-K114 HydrophobicContact CG-CG 4.13Å
106	T	94.2	Very high	91.3	Very high	78 Å²	78	78.5 Å²	78.5	48%	0.479	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145	170.6	56	0	0	0	0	109.3	T112 Q113	T106-T112 WeakPolarHBondContact O-CA 3.04Å; T106-Q113 PolarHBondContact N-O 3.09Å; T106-Q113 PolarHBondContact O-N 2.04Å
107	Y	94.7	Very high	91.7	Very high	163 Å²	163	73.7 Å²	73.7	64%	0.639	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	121.5	-175.8	-60.2	-88.8	0	0	0	108.7	Q105 T112	Q105-Y107 HydrophobicContact CB-CE2 4.07Å; Q105-Y107 PolarHBondContact OE1-OH 2.96Å; Y107-T112 HydrophobicContact CD1-CG2 3.85Å; Y107-T112 HydrophobicContact CE1-CG2 3.68Å
108	G	89.5	Confident	92	Very high	43 Å²	43	73 Å²	73	44%	0.443	41%	0.408	S	S	.	.			trans	-95.3	179.1	165.4	0	0	0	0	0	111	S110 S111	G108-S110 VanDerWaalsContact C-N 3.25Å; G108-S110 PolarHBondContact O-N 2.7Å; G108-S111 WeakPolarHBondContact CA-O 3.42Å; G108-S111 PolarHBondContact N-O 2.87Å
109	S	87	Confident	92.2	Very high	128 Å²	128	70.2 Å²	70.2	90%	0.895	39%	0.388	S	S	*	.	S	Bend	trans	-61.7	-33.5	179.7	58.7	0	0	0	0	113.5
110	S	89.9	Confident	92.5	Very high	48 Å²	48	67.8 Å²	67.8	34%	0.336	38%	0.384	S	S	.	.	S	Bend	trans	-139.6	22.6	-178.8	-49.6	0	0	0	0	111.4	R69 G108	R69-S110 PolarHBondContact N-O 3.43Å; R69-S110 WeakPolarHBondContact O-CB 3.44Å; G108-S110 VanDerWaalsContact C-N 3.25Å; G108-S110 PolarHBondContact O-N 2.7Å
111	S	92.6	Very high	93	Very high	38 Å²	38	69.2 Å²	69.2	27%	0.266	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.1	176.7	64.4	0	0	0	0	112.5	V67 G108	V67-S111 CarbonylContact O-C 3.53Å; V67-S111 WeakPolarHBondContact O-CA 3.25Å; V67-S111 WeakPolarHBondContact O-CB 3.08Å; G108-S111 WeakPolarHBondContact CA-O 3.42Å; G108-S111 PolarHBondContact N-O 2.87Å
112	T	95.5	Very high	93.1	Very high	48 Å²	48	68.5 Å²	68.5	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.1	168.8	-59.1	0	0	0	0	107.8	E66 V67 T106 Y107	E66-T112 CarbonylContact C-O 3.58Å; E66-T112 WeakPolarHBondContact CA-O 3.38Å; V67-T112 PolarHBondContact N-O 3.18Å; V67-T112 PolarHBondContact O-N 2.68Å; T106-T112 WeakPolarHBondContact O-CA 3.04Å; Y107-T112 HydrophobicContact CD1-CG2 3.85Å; Y107-T112 HydrophobicContact CE1-CG2 3.68Å
113	Q	95.1	Very high	93.1	Very high	37 Å²	37	67.7 Å²	67.7	17%	0.173	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.5	176.2	-178.5	-178.2	100.9	0	0	109.6	I64 E65 E66 Q105 T106	I64-Q113 HydrophobicContact CG2-CG 3.61Å; E65-Q113 CarbonylContact O-C 3.49Å; E65-Q113 WeakPolarHBondContact O-CA 3.02Å; E66-Q113 HydrophobicContact CB-CB 4.41Å; E66-Q113 HydrophobicContact CB-CG 4.35Å; E66-Q113 HydrophobicContact CG-CB 4.41Å; E66-Q113 PolarHBondContact OE2-NE2 3.09Å; Q105-Q113 CarbonylContact C-O 3.55Å; Q105-Q113 VanDerWaalsContact CA-O 3.3Å; Q105-Q113 WeakPolarHBondContact CA-O 3.46Å; T106-Q113 PolarHBondContact N-O 3.09Å; T106-Q113 PolarHBondContact O-N 2.04Å
114	K	95.2	Very high	93	Very high	78 Å²	78	64.8 Å²	64.8	34%	0.339	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.2	171.2	-175.3	-177.8	179.9	-175.1	0	109	I64 E65 F104 Q105	I64-K114 WeakPolarHBondContact CA-O 3.34Å; E65-K114 HydrophobicContact CB-CB 4.46Å; E65-K114 PolarHBondContact N-O 2.82Å; E65-K114 PolarHBondContact O-N 3.22Å; F104-K114 CarbonylContact O-C 3.52Å; F104-K114 WeakPolarHBondContact O-CA 3.32Å; Q105-K114 HydrophobicContact CG-CB 4.2Å; Q105-K114 HydrophobicContact CG-CG 4.13Å
115	R	94.3	Very high	92.7	Very high	90 Å²	90	63.4 Å²	63.4	34%	0.34	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.8	178.4	-173.9	179.3	-55.6	156.1	5.6	110	I62 K63 I64 C103 F104 Y117	I62-R115 HydrophobicContact CG2-CG 3.56Å; K63-R115 WeakPolarHBondContact O-CA 3.3Å; I64-R115 HydrophobicContact CG1-CG 4.18Å; C103-R115 CarbonylContact C-O 3.52Å; C103-R115 WeakPolarHBondContact CA-O 3.3Å; F104-R115 PolarHBondContact N-O 2.97Å; F104-R115 PolarHBondContact O-N 3.06Å; R115-Y117 HydrophobicContact CB-CE2 4.46Å; R115-Y117 VanDerWaalsContact CD-CE2 3.47Å; R115-Y117 VanDerWaalsContact CD-CZ 3.4Å; R115-Y117 WeakPolarHBondContact CD-OH 3.12Å; R115-Y117 HydrophobicContact CG-CD2 4.27Å; R115-Y117 HydrophobicContact CG-CE2 3.62Å; R115-Y117 PolarHBondContact NH1-OH 2.04Å
116	C	94.9	Very high	91.7	Very high	28 Å²	28	62.4 Å²	62.4	19%	0.189	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	177.8	-67	0	0	0	0	110.4	I62 K63 T102 C103	I62-C116 CarbonylContact C-O 3.5Å; I62-C116 VanDerWaalsContact CA-O 3.3Å; I62-C116 WeakPolarHBondContact CA-O 3.07Å; K63-C116 PolarHBondContact N-O 2.86Å; K63-C116 PolarHBondContact O-N 3.17Å; T102-C116 WeakPolarHBondContact O-CA 3.47Å; C103-C116 HydrophobicContact CB-CB 4.1Å; C103-C116 WeakPolarHBondContact CB-SG 3.25Å; C103-C116 WeakPolarHBondContact SG-CB 3.5Å; C103-C116 CovalentContact SG-SG 2.04Å; C103-C116 PolarHBondContact SG-SG 2.9Å
117	Y	94.4	Very high	90.1	Very high	37 Å²	37	61.4 Å²	61.4	15%	0.145	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	143.1	173.7	-64.3	-97.8	0	0	0	108.9	C61 I62 L92 P97 D101 T102 F104 R115	C61-Y117 WeakPolarHBondContact O-CA 3.27Å; I62-Y117 HydrophobicContact CD1-CD1 3.97Å; I62-Y117 HydrophobicContact CD1-CE1 3.46Å; I62-Y117 VanDerWaalsContact CD1-CE1 3.46Å; I62-Y117 HydrophobicContact CG1-CD1 3.73Å; I62-Y117 HydrophobicContact CG1-CE1 3.78Å; L92-Y117 HydrophobicContact CD1-CD1 4.49Å; L92-Y117 HydrophobicContact CD1-CE1 4.21Å; P97-Y117 HydrophobicContact CB-CD1 3.65Å; P97-Y117 HydrophobicContact CB-CE1 3.74Å; P97-Y117 HydrophobicContact CG-CD1 3.91Å; P97-Y117 HydrophobicContact CG-CE1 4.45Å; D101-Y117 CarbonylContact C-O 3.47Å; D101-Y117 WeakPolarHBondContact CA-O 3.38Å; D101-Y117 PolarHBondContact N-O 2.81Å; D101-Y117 VanDerWaalsContact N-O 3.09Å; T102-Y117 PolarHBondContact N-O 2.83Å; T102-Y117 VanDerWaalsContact N-O 3.09Å; T102-Y117 PolarHBondContact O-N 2.96Å; F104-Y117 HydrophobicContact CD2-CD2 4.09Å; F104-Y117 AromaticContact CD2-CE2 3.9Å; F104-Y117 HydrophobicContact CD2-CE2 3.9Å; F104-Y117 HydrophobicContact CE2-CD2 4.11Å; F104-Y117 HydrophobicContact CE2-CE2 4.13Å; R115-Y117 HydrophobicContact CB-CE2 4.46Å; R115-Y117 VanDerWaalsContact CD-CE2 3.47Å; R115-Y117 VanDerWaalsContact CD-CZ 3.4Å; R115-Y117 WeakPolarHBondContact CD-OH 3.12Å; R115-Y117 HydrophobicContact CG-CD2 4.27Å; R115-Y117 HydrophobicContact CG-CE2 3.62Å; R115-Y117 PolarHBondContact NH1-OH 2.04Å
118	C	93.1	Very high	88.1	Confident	18 Å²	18	63.5 Å²	63.5	12%	0.122	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.1	174.7	58.1	0	0	0	0	111.6	C61 D101 C123 N124	C61-C118 PolarHBondContact N-O 3.23Å; C61-C118 PolarHBondContact O-N 2.76Å; D101-C118 WeakPolarHBondContact OD1-CA 3.46Å; C118-C123 HydrophobicContact CB-CB 3.63Å; C118-C123 WeakPolarHBondContact CB-SG 3.34Å; C118-C123 WeakPolarHBondContact SG-CB 3.5Å; C118-C123 PolarHBondContact SG-O 2.91Å; C118-C123 VanDerWaalsContact SG-O 3.39Å; C118-C123 CovalentContact SG-SG 2.01Å; C118-C123 PolarHBondContact SG-SG 2.85Å; C118-N124 PolarHBondContact SG-N 2.81Å
119	S	91.3	Very high	86.3	Confident	56 Å²	56	66.4 Å²	66.4	39%	0.392	37%	0.366	S	S	.	.			trans	-121.7	13.3	-166.6	66.3	0	0	0	0	114.9	D101	D101-S119 PolarHBondContact OD1-N 2.93Å; D101-S119 PolarHBondContact OD1-OG 2.8Å; D101-S119 PolarHBondContact OD2-OG 3.28Å
120	T	90.8	Very high	84.8	Confident	70 Å²	70	68.2 Å²	68.2	43%	0.429	36%	0.364	S	S	.	.	S	Bend	trans	-113.3	156	177.5	53.5	0	0	0	0	111.4	L26 Y122 C123	L26-T120 VanDerWaalsContact CD1-C 3.43Å; L26-T120 VanDerWaalsContact CD1-O 3.31Å; L26-T120 WeakPolarHBondContact CD1-O 3.25Å; T120-Y122 PolarHBondContact O-N 3.29Å; T120-C123 WeakPolarHBondContact O-CB 3.3Å; T120-C123 PolarHBondContact O-N 2.94Å; T120-C123 VanDerWaalsContact O-N 3.13Å; T120-C123 PolarHBondContact O-SG 3.49Å; T120-C123 VanDerWaalsContact OG1-CB 3.25Å; T120-C123 WeakPolarHBondContact OG1-CB 3.38Å
121	D	91.9	Very high	83.1	Confident	100 Å²	100	70.3 Å²	70.3	54%	0.535	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	129	-176	-67.3	-36.6	0	0	0	111.7	S27 C123	S27-D121 PolarHBondContact N-OD1 2.97Å; S27-D121 CarbonylContact O-C 3.59Å; S27-D121 WeakPolarHBondContact O-CA 3.45Å; D121-C123 PolarHBondContact O-N 3.2Å
122	Y	91.8	Very high	81.4	Confident	75 Å²	75	72.8 Å²	72.8	29%	0.294	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	20.9	177.7	-53.6	-58.8	0	0	0	114.4	S27 Y29 K54 T120 N124 D125	S27-Y122 PolarHBondContact O-N 3.29Å; Y29-Y122 HydrophobicContact CD1-CD1 4.3Å; Y29-Y122 HydrophobicContact CD2-CD1 4.11Å; Y29-Y122 HydrophobicContact CE1-CD1 4.05Å; Y29-Y122 HydrophobicContact CE1-CE1 4.47Å; Y29-Y122 AromaticContact CE2-CD1 3.86Å; Y29-Y122 HydrophobicContact CE2-CD1 3.86Å; Y29-Y122 AromaticContact CE2-CG 3.97Å; Y29-Y122 HydrophobicContact CE2-CG 3.97Å; Y29-Y122 HydrophobicContact CG-CD1 4.32Å; Y29-Y122 AromaticContact CZ-CD1 3.79Å; K54-Y122 HydrophobicContact CB-CE1 4.16Å; K54-Y122 HydrophobicContact CD-CE1 4.3Å; K54-Y122 HydrophobicContact CG-CE1 4.03Å; T120-Y122 PolarHBondContact O-N 3.29Å; Y122-N124 PolarHBondContact O-N 2.82Å; Y122-D125 WeakPolarHBondContact O-CB 3.33Å; Y122-D125 PolarHBondContact O-N 2.84Å; Y122-D125 VanDerWaalsContact O-N 3.07Å
123	C	92.5	Very high	80	Confident	36 Å²	36	73.8 Å²	73.8	24%	0.243	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.1	-176.5	65	0	0	0	0	114.9	C118 T120 D121 D125	C118-C123 HydrophobicContact CB-CB 3.63Å; C118-C123 WeakPolarHBondContact CB-SG 3.34Å; C118-C123 WeakPolarHBondContact SG-CB 3.5Å; C118-C123 PolarHBondContact SG-O 2.91Å; C118-C123 VanDerWaalsContact SG-O 3.39Å; C118-C123 CovalentContact SG-SG 2.01Å; C118-C123 PolarHBondContact SG-SG 2.85Å; T120-C123 WeakPolarHBondContact O-CB 3.3Å; T120-C123 PolarHBondContact O-N 2.94Å; T120-C123 VanDerWaalsContact O-N 3.13Å; T120-C123 PolarHBondContact O-SG 3.49Å; T120-C123 VanDerWaalsContact OG1-CB 3.25Å; T120-C123 WeakPolarHBondContact OG1-CB 3.38Å; D121-C123 PolarHBondContact O-N 3.2Å; C123-D125 PolarHBondContact O-N 2.84Å
124	N	92.8	Very high	78.5	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.011	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	11.2	175.3	66.7	-25.9	0	0	0	113.5	Y29 C61 I62 K63 R89 C118 Y122	Y29-N124 PolarHBondContact N-OD1 2.92Å; Y29-N124 VanDerWaalsContact N-OD1 3.08Å; Y29-N124 PolarHBondContact O-ND2 2.93Å; C61-N124 HydrophobicContact CB-CB 3.74Å; I62-N124 PolarHBondContact O-ND2 2.83Å; K63-N124 HydrophobicContact CB-CB 4.2Å; R89-N124 WeakPolarHBondContact CD-O 3.46Å; R89-N124 PolarHBondContact NE-O 2.81Å; C118-N124 PolarHBondContact SG-N 2.81Å; Y122-N124 PolarHBondContact O-N 2.82Å
125	D	89.2	Confident	76.9	Confident	47 Å²	47	84.1 Å²	84.1	25%	0.251	45%	0.446	S	S	.	.	S	Bend	trans	-72.6	159.4	163.5	-167.3	15.1	0	0	0	112.1	Y29 W52 Y122 C123 S127	Y29-D125 HydrophobicContact CD2-CB 4.19Å; Y29-D125 HydrophobicContact CE2-CB 3.94Å; W52-D125 VanDerWaalsContact CH2-OD1 3.27Å; W52-D125 WeakPolarHBondContact CH2-OD1 3.43Å; W52-D125 HydrophobicContact CZ3-CB 4.44Å; Y122-D125 WeakPolarHBondContact O-CB 3.33Å; Y122-D125 PolarHBondContact O-N 2.84Å; Y122-D125 VanDerWaalsContact O-N 3.07Å; C123-D125 PolarHBondContact O-N 2.84Å; D125-S127 VanDerWaalsContact C-N 3.33Å; D125-S127 WeakPolarHBondContact OD2-CB 3.34Å; D125-S127 PolarHBondContact OD2-OG 2.99Å
126	D	74.2	Confident	75.5	Confident	90 Å²	90	82.1 Å²	82.1	48%	0.481	45%	0.449	S	S	.	.	S	Bend	trans	-80.4	-23.5	177.3	-71.8	28.5	0	0	0	111.1	K63 R89 K128	K63-D126 WeakPolarHBondContact CE-OD1 3.36Å; K63-D126 IonicContact NZ-OD1 2.97Å; K63-D126 PolarHBondContact NZ-OD1 3.32Å; K63-D126 IonicContact NZ-OD2 3.2Å; K63-D126 PolarHBondContact NZ-OD2 2.55Å; R89-D126 IonicContact CZ-OD1 2.81Å; R89-D126 IonicContact NE-OD1 4Å; R89-D126 IonicContact NH2-OD1 2.76Å; R89-D126 PolarHBondContact NH2-OD1 2.02Å; R89-D126 IonicContact NH2-OD2 3.86Å; D126-K128 PolarHBondContact O-N 2.93Å
127	S	61.5	Low	74.1	Confident	57 Å²	57	85 Å²	85	40%	0.399	46%	0.462	S	S	.	.	S	Bend	trans	-71.3	114.3	176	76.3	0	0	0	0	108.9	D125 T129	D125-S127 VanDerWaalsContact C-N 3.33Å; D125-S127 WeakPolarHBondContact OD2-CB 3.34Å; D125-S127 PolarHBondContact OD2-OG 2.99Å; S127-T129 PolarHBondContact O-N 3.37Å; S127-T129 WeakPolarHBondContact OG-CG2 3.45Å
128	K	53.8	Low	72.8	Confident	207 Å²	207	86.7 Å²	86.7	90%	0.9	48%	0.479	S	S	*	.			trans	-68.1	68.3	160.6	-65.5	-173.3	-178.1	-175.3	0	107.8	D126 L130	D126-K128 PolarHBondContact O-N 2.93Å; K128-L130 PolarHBondContact O-N 3.45Å
129	T	49.9	Very low	71.9	Confident	105 Å²	105	87.9 Å²	87.9	64%	0.644	49%	0.49	S	S	*	.			trans	-65.6	110.9	164.3	45.5	0	0	0	0	105.8	S127 S131	S127-T129 PolarHBondContact O-N 3.37Å; S127-T129 WeakPolarHBondContact OG-CG2 3.45Å; T129-S131 PolarHBondContact O-N 3.02Å
130	L	56.1	Low	71.2	Confident	165 Å²	165	90.7 Å²	90.7	86%	0.864	50%	0.499	S	S	*	.			trans	-54.6	96	165.6	-74.6	157.8	0	0	0	106.8	K128 V132	K128-L130 PolarHBondContact O-N 3.45Å; L130-V132 VanDerWaalsContact C-N 3.3Å; L130-V132 PolarHBondContact O-N 2.84Å
131	S	53.4	Low	70.4	Confident	92 Å²	92	91 Å²	91	64%	0.643	50%	0.503	S	S	*	.			trans	-71.4	94.2	173.6	54.3	0	0	0	0	106.9	T129 S133	T129-S131 PolarHBondContact O-N 3.02Å; S131-S133 PolarHBondContact O-N 3.46Å
132	V	58.8	Low	69.6	Low	90 Å²	90	89 Å²	89	55%	0.545	50%	0.497	S	S	.	.			trans	-64.7	109.2	169	-178.6	0	0	0	0	106	L130 F134 L137	L130-V132 VanDerWaalsContact C-N 3.3Å; L130-V132 PolarHBondContact O-N 2.84Å; V132-F134 PolarHBondContact O-N 2.8Å; V132-F134 VanDerWaalsContact O-N 3.13Å; V132-L137 HydrophobicContact CG1-CD1 3.84Å; V132-L137 HydrophobicContact CG1-CD2 4.36Å; V132-L137 HydrophobicContact CG1-CG 3.88Å
133	S	64.3	Low	69	Low	69 Å²	69	90.4 Å²	90.4	48%	0.483	51%	0.51	S	S	.	.			trans	-56.4	119.7	177.2	178.7	0	0	0	0	109.2	S131 K135 A136	S131-S133 PolarHBondContact O-N 3.46Å; S133-K135 PolarHBondContact O-N 3.32Å; S133-A136 WeakPolarHBondContact O-CB 3.2Å; S133-A136 PolarHBondContact O-N 3.15Å
134	F	63.9	Low	68.2	Low	176 Å²	176	91.1 Å²	91.1	77%	0.772	52%	0.515	S	S	*	.	H	α-helix	trans	-53.1	-24.5	176.5	-80.5	-85.7	0	0	0	112.6	V132 A136 L137 S138	V132-F134 PolarHBondContact O-N 2.8Å; V132-F134 VanDerWaalsContact O-N 3.13Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 2.78Å; F134-L137 PolarHBondContact O-N 2.8Å; F134-S138 PolarHBondContact O-N 2.85Å; F134-S138 PolarHBondContact O-OG 2.82Å
135	K	63.1	Low	67.4	Low	157 Å²	157	96.5 Å²	96.5	68%	0.683	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-33.7	175	-62.9	-168.6	176.8	-170.3	0	113.3	S133 S138 A139	S133-K135 PolarHBondContact O-N 3.32Å; K135-S138 PolarHBondContact O-OG 3.03Å; K135-A139 WeakPolarHBondContact O-CB 2.96Å; K135-A139 PolarHBondContact O-N 2.91Å
136	A	64.2	Low	66.8	Low	48 Å²	48	99 Å²	99	40%	0.397	56%	0.556	S	S	.	*	H	α-helix	trans	-71.2	-39.6	175.3	0	0	0	0	0	110.7	S133 F134 A139 I140	S133-A136 WeakPolarHBondContact O-CB 3.2Å; S133-A136 PolarHBondContact O-N 3.15Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 2.78Å; A136-A139 PolarHBondContact O-N 3.25Å; A136-I140 WeakPolarHBondContact O-CD1 3.31Å; A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 3Å
137	L	65.8	Low	67	Low	89 Å²	89	99.2 Å²	99.2	47%	0.466	56%	0.556	S	S	.	*	H	α-helix	trans	-66.5	-42.9	177.6	-71.3	168.4	0	0	0	112	V132 F134 I140 C141	V132-L137 HydrophobicContact CG1-CD1 3.84Å; V132-L137 HydrophobicContact CG1-CD2 4.36Å; V132-L137 HydrophobicContact CG1-CG 3.88Å; F134-L137 PolarHBondContact O-N 2.8Å; L137-I140 PolarHBondContact O-N 2.74Å; L137-C141 WeakPolarHBondContact O-CB 3.34Å; L137-C141 PolarHBondContact O-N 3.38Å
138	S	67.5	Low	67.7	Low	71 Å²	71	102.5 Å²	102.5	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-66.7	-38.2	177.8	66.8	0	0	0	0	112.4	F134 K135 C141 S142	F134-S138 PolarHBondContact O-N 2.85Å; F134-S138 PolarHBondContact O-OG 2.82Å; K135-S138 PolarHBondContact O-OG 3.03Å; S138-C141 PolarHBondContact O-N 2.81Å; S138-S142 PolarHBondContact O-N 2.79Å; S138-S142 PolarHBondContact O-OG 2.88Å
139	A	73.5	Confident	68.6	Low	44 Å²	44	100.2 Å²	100.2	36%	0.364	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-39.4	174.9	0	0	0	0	0	112.8	K135 A136 S142 L143	K135-A139 WeakPolarHBondContact O-CB 2.96Å; K135-A139 PolarHBondContact O-N 2.91Å; A136-A139 PolarHBondContact O-N 3.25Å; A139-S142 PolarHBondContact O-OG 2.85Å; A139-S142 VanDerWaalsContact O-OG 3.08Å; A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 WeakPolarHBondContact O-CD1 3.42Å; A139-L143 PolarHBondContact O-N 2.77Å
140	I	76.1	Confident	70	Confident	114 Å²	114	101.7 Å²	101.7	59%	0.585	56%	0.558	S	S	*	*	H	α-helix	trans	-67.5	-41.1	175.3	-66.9	162.8	0	0	0	110.4	A136 L137 L143 S144	A136-I140 WeakPolarHBondContact O-CD1 3.31Å; A136-I140 WeakPolarHBondContact O-CG1 3.43Å; A136-I140 PolarHBondContact O-N 3Å; L137-I140 PolarHBondContact O-N 2.74Å; I140-L143 PolarHBondContact O-N 3.13Å; I140-S144 WeakPolarHBondContact O-CB 3.33Å; I140-S144 PolarHBondContact O-N 3.46Å; I140-S144 PolarHBondContact O-OG 2.92Å
141	C	73.8	Confident	70.6	Confident	76 Å²	76	103 Å²	103	51%	0.514	56%	0.564	S	S	.	*	H	α-helix	trans	-63.8	-46.4	177.6	-124.1	0	0	0	0	111.7	L137 S138 S144 L145	L137-C141 WeakPolarHBondContact O-CB 3.34Å; L137-C141 PolarHBondContact O-N 3.38Å; S138-C141 PolarHBondContact O-N 2.81Å; C141-S144 PolarHBondContact O-N 2.77Å; C141-S144 PolarHBondContact O-OG 2.69Å; C141-L145 WeakPolarHBondContact O-CG 3.44Å; C141-L145 PolarHBondContact O-N 2.88Å
142	S	75.8	Confident	71.5	Confident	58 Å²	58	103.5 Å²	103.5	41%	0.406	56%	0.56	S	S	.	*	H	α-helix	trans	-66.1	-39.3	178.4	61.5	0	0	0	0	112.4	S138 A139 L145 L146	S138-S142 PolarHBondContact O-N 2.79Å; S138-S142 PolarHBondContact O-OG 2.88Å; A139-S142 PolarHBondContact O-OG 2.85Å; A139-S142 VanDerWaalsContact O-OG 3.08Å; S142-L145 PolarHBondContact O-N 2.74Å; S142-L146 WeakPolarHBondContact O-CB 3.07Å; S142-L146 PolarHBondContact O-N 3.39Å
143	L	78	Confident	72.1	Confident	106 Å²	106	104.2 Å²	104.2	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-61.7	-42.1	171.3	-104.4	107.5	0	0	0	112.1	A139 I140 L145 L146 I147	A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 WeakPolarHBondContact O-CD1 3.42Å; A139-L143 PolarHBondContact O-N 2.77Å; I140-L143 PolarHBondContact O-N 3.13Å; L143-L145 PolarHBondContact O-N 2.97Å; L143-L146 PolarHBondContact O-N 2.89Å; L143-I147 VanDerWaalsContact O-CG1 3.25Å; L143-I147 WeakPolarHBondContact O-CG1 3.4Å; L143-I147 PolarHBondContact O-N 2.76Å
144	S	77.1	Confident	72.6	Confident	51 Å²	51	106.2 Å²	106.2	36%	0.357	57%	0.566	S	S	.	*	H	α-helix	trans	-65	-39	179.9	71.8	0	0	0	0	112.4	I140 C141 I147 L148	I140-S144 WeakPolarHBondContact O-CB 3.33Å; I140-S144 PolarHBondContact O-N 3.46Å; I140-S144 PolarHBondContact O-OG 2.92Å; C141-S144 PolarHBondContact O-N 2.77Å; C141-S144 PolarHBondContact O-OG 2.69Å; S144-I147 PolarHBondContact O-N 3.07Å; S144-L148 WeakPolarHBondContact O-CB 3.24Å; S144-L148 WeakPolarHBondContact O-CG 3.39Å; S144-L148 PolarHBondContact O-N 2.99Å
145	L	75.6	Confident	73.1	Confident	114 Å²	114	102.1 Å²	102.1	60%	0.597	55%	0.553	S	S	*	*	H	α-helix	trans	-69.1	-38.7	175.3	-71.4	169.9	0	0	0	111.7	C141 S142 L143 L148 Y149	C141-L145 WeakPolarHBondContact O-CG 3.44Å; C141-L145 PolarHBondContact O-N 2.88Å; S142-L145 PolarHBondContact O-N 2.74Å; L143-L145 PolarHBondContact O-N 2.97Å; L145-L148 PolarHBondContact O-N 3.13Å; L145-Y149 WeakPolarHBondContact O-CB 3.41Å; L145-Y149 PolarHBondContact O-N 3Å
146	L	76.9	Confident	73.7	Confident	99 Å²	99	98.6 Å²	98.6	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-43.7	173.3	-88.9	160.3	0	0	0	112	S142 L143 Y149 I150	S142-L146 WeakPolarHBondContact O-CB 3.07Å; S142-L146 PolarHBondContact O-N 3.39Å; L143-L146 PolarHBondContact O-N 2.89Å; L146-Y149 PolarHBondContact O-N 3.31Å; L146-I150 WeakPolarHBondContact O-CD1 3.39Å; L146-I150 VanDerWaalsContact O-CG1 3.25Å; L146-I150 WeakPolarHBondContact O-CG1 3.24Å; L146-I150 PolarHBondContact O-N 3.41Å; L146-I150 VanDerWaalsContact O-N 3.09Å
147	I	77.8	Confident	74.3	Confident	96 Å²	96	102 Å²	102	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-64.3	-43.2	177.6	-67.4	163.7	0	0	0	110.7	L143 S144 Y149 I150 L151	L143-I147 VanDerWaalsContact O-CG1 3.25Å; L143-I147 WeakPolarHBondContact O-CG1 3.4Å; L143-I147 PolarHBondContact O-N 2.76Å; S144-I147 PolarHBondContact O-N 3.07Å; I147-Y149 VanDerWaalsContact C-N 3.25Å; I147-Y149 PolarHBondContact O-N 3.31Å; I147-I150 PolarHBondContact O-N 2.83Å; I147-L151 HydrophobicContact CG2-CD1 3.9Å; I147-L151 WeakPolarHBondContact O-CG 3.4Å; I147-L151 PolarHBondContact O-N 3.17Å
148	L	76.3	Confident	74.9	Confident	125 Å²	125	102.9 Å²	102.9	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-64.6	-26.8	176.1	-78.2	164.6	0	0	0	113.5	S144 L145	S144-L148 WeakPolarHBondContact O-CB 3.24Å; S144-L148 WeakPolarHBondContact O-CG 3.39Å; S144-L148 PolarHBondContact O-N 2.99Å; L145-L148 PolarHBondContact O-N 3.13Å
149	Y	73.5	Confident	75.5	Confident	160 Å²	160	105.4 Å²	105.4	63%	0.627	57%	0.567	S	S	*	*	H	α-helix	trans	-84.4	-25.8	178	-174.9	-98.1	0	0	0	113.2	L145 L146 I147	L145-Y149 WeakPolarHBondContact O-CB 3.41Å; L145-Y149 PolarHBondContact O-N 3Å; L146-Y149 PolarHBondContact O-N 3.31Å; I147-Y149 VanDerWaalsContact C-N 3.25Å; I147-Y149 PolarHBondContact O-N 3.31Å
150	I	78	Confident	75.7	Confident	136 Å²	136	110.5 Å²	110.5	70%	0.697	58%	0.584	S	S	*	*	H	α-helix	trans	-84.3	-28.1	-179.4	-67.7	166.9	0	0	0	112	L146 I147	L146-I150 WeakPolarHBondContact O-CD1 3.39Å; L146-I150 VanDerWaalsContact O-CG1 3.25Å; L146-I150 WeakPolarHBondContact O-CG1 3.24Å; L146-I150 PolarHBondContact O-N 3.41Å; L146-I150 VanDerWaalsContact O-N 3.09Å; I147-I150 PolarHBondContact O-N 2.83Å
151	L	69	Low	75.6	Confident	191 Å²	191	110.2 Å²	110.2	100%	1	58%	0.583	S	S	*	*			trans	-80.5	0	175	-69.5	170.5	0	0	0	112	I147	I147-L151 HydrophobicContact CG2-CD1 3.9Å; I147-L151 WeakPolarHBondContact O-CG 3.4Å; I147-L151 PolarHBondContact O-N 3.17Å

Retrieved 151 of 151 residues in 131.2 ms (Link to these results)

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