A0A5K4F4G4_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4G4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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	39.4	Very low	43.9	Very low	251 Å²	251	166.5 Å²	166.5	100%	1.236	84%	0.839	S	S	*	*				0	107	0	-67.2	178.1	-176.2	0	0	107.8
2	S	48.5	Very low	44	Very low	119 Å²	119	161.6 Å²	161.6	83%	0.832	82%	0.824	S	S	*	*			trans	-97.7	103.7	174.8	-175.5	0	0	0	0	108	R4	S2-R4 PolarHBondContact O-N 3.2Å
3	A	46.3	Very low	44.7	Very low	87 Å²	87	156.5 Å²	156.5	72%	0.719	80%	0.799	S	S	*	*			trans	-67.2	112.1	171.9	0	0	0	0	0	107.6	Q5	A3-Q5 PolarHBondContact O-N 3.27Å
4	R	46.2	Very low	45.8	Very low	240 Å²	240	146.1 Å²	146.1	91%	0.906	75%	0.748	S	S	*	*			trans	-57.2	101.7	171.4	-78.3	-177.6	175.7	-179.8	-1.2	108	S2 R6	S2-R4 PolarHBondContact O-N 3.2Å; R4-R6 PolarHBondContact O-N 2.98Å
5	Q	47.1	Very low	47.1	Very low	180 Å²	180	136.3 Å²	136.3	84%	0.841	70%	0.698	S	S	*	*			trans	-58.4	107.7	168.4	-82.7	173.3	-43.3	0	0	107.5	A3 R7	A3-Q5 PolarHBondContact O-N 3.27Å; Q5-R7 PolarHBondContact O-N 2.84Å
6	R	43.2	Very low	49.2	Very low	243 Å²	243	134.7 Å²	134.7	92%	0.917	68%	0.684	S	S	*	*			trans	-66.6	89.6	168.4	-70	-176.9	177.7	-172	-1.2	107.1	R4	R4-R6 PolarHBondContact O-N 2.98Å
7	R	44	Very low	51.3	Low	217 Å²	217	131.9 Å²	131.9	82%	0.819	67%	0.672	S	S	*	*			trans	-61.7	128.5	163.1	-78.8	-174.9	168.3	-167.9	-3.5	106.9	Q5 I9	Q5-R7 PolarHBondContact O-N 2.84Å; R7-I9 PolarHBondContact O-N 3.48Å; R7-I9 VanDerWaalsContact O-N 3.13Å
8	P	37.3	Very low	53.5	Low	121 Å²	121	126.3 Å²	126.3	79%	0.786	64%	0.643	S	S	*	*			trans	-54.7	122.6	168.3	-19.3	30.7	0	0	0	107.3	A10	P8-A10 VanDerWaalsContact C-N 3.33Å; P8-A10 PolarHBondContact O-N 2.99Å
9	I	41.1	Very low	55.5	Low	127 Å²	127	124 Å²	124	65%	0.651	65%	0.645	S	S	*	*			trans	-68.4	101	174.3	-52.8	178.2	0	0	0	105.3	R7 Q11	R7-I9 PolarHBondContact O-N 3.48Å; R7-I9 VanDerWaalsContact O-N 3.13Å; I9-Q11 WeakPolarHBondContact CG2-O 3.4Å; I9-Q11 PolarHBondContact O-N 2.69Å
10	A	47.7	Very low	57.3	Low	104 Å²	104	120.6 Å²	120.6	86%	0.86	63%	0.627	S	S	*	*	S	Bend	trans	-69.4	-6.5	-179.1	0	0	0	0	0	112.9	P8	P8-A10 VanDerWaalsContact C-N 3.33Å; P8-A10 PolarHBondContact O-N 2.99Å
11	Q	41.8	Very low	58.9	Low	142 Å²	142	120.7 Å²	120.7	66%	0.664	63%	0.633	S	S	*	*	S	Bend	trans	-123.1	108	175.4	-69.4	178	-12.3	0	0	108.1	I9 L13	I9-Q11 WeakPolarHBondContact CG2-O 3.4Å; I9-Q11 PolarHBondContact O-N 2.69Å; Q11-L13 PolarHBondContact O-N 3.33Å; Q11-L13 VanDerWaalsContact O-N 3.15Å
12	T	46	Very low	61.5	Low	108 Å²	108	115.7 Å²	115.7	66%	0.663	61%	0.608	S	S	*	*			trans	-52.6	124.8	166.6	45.6	0	0	0	0	108.2	S14 N88	T12-S14 PolarHBondContact O-N 3.12Å; T12-N88 PolarHBondContact O-ND2 3.25Å
13	L	53	Low	63.6	Low	95 Å²	95	115.8 Å²	115.8	50%	0.497	60%	0.599	S	S	.	*			trans	-74.1	63.3	173	-68	171.1	0	0	0	108.5	Q11 G15 F16	Q11-L13 PolarHBondContact O-N 3.33Å; Q11-L13 VanDerWaalsContact O-N 3.15Å; L13-G15 PolarHBondContact O-N 2.88Å; L13-F16 HydrophobicContact CB-CB 4.28Å; L13-F16 HydrophobicContact CB-CD2 4.43Å; L13-F16 HydrophobicContact CD2-CD2 4.31Å; L13-F16 PolarHBondContact O-N 3.22Å
14	S	59.5	Low	65.9	Low	11 Å²	11	116.9 Å²	116.9	8%	0.077	61%	0.608	C	S	.	*	T	Hydrogen-bonded Turn	trans	-56.4	-18.9	-160.7	87.9	0	0	0	0	114.5	T12 N88 H127 E140	T12-S14 PolarHBondContact O-N 3.12Å; S14-N88 PolarHBondContact OG-N 3.15Å; S14-H127 VanDerWaalsContact CB-CE1 3.41Å; S14-H127 WeakPolarHBondContact CB-CE1 3.34Å; S14-H127 PolarHBondContact O-CE1 2.74Å; S14-E140 WeakPolarHBondContact CB-OE2 3.32Å; S14-E140 PolarHBondContact OG-OE2 3.38Å
15	G	65.1	Low	68.2	Low	0 Å²	0	113.4 Å²	113.4	0%	0	60%	0.602	C	S	.	*	T	Hydrogen-bonded Turn	trans	-119.5	7.9	174.1	0	0	0	0	0	116.9	L13 N88	L13-G15 PolarHBondContact O-N 2.88Å; G15-N88 WeakPolarHBondContact CA-O 3.26Å; G15-N88 PolarHBondContact N-O 3.34Å
16	F	80.9	Confident	70.4	Confident	110 Å²	110	114.1 Å²	114.1	48%	0.482	61%	0.607	S	S	.	*			trans	-110.3	16.5	170.2	-60.5	-69.3	0	0	0	112.8	L13 I18 G89 M147	L13-F16 HydrophobicContact CB-CB 4.28Å; L13-F16 HydrophobicContact CB-CD2 4.43Å; L13-F16 HydrophobicContact CD2-CD2 4.31Å; L13-F16 PolarHBondContact O-N 3.22Å; F16-I18 VanDerWaalsContact C-N 3.3Å; F16-I18 PolarHBondContact O-N 3.37Å; F16-G89 VanDerWaalsContact CE2-CA 3.41Å; F16-G89 VanDerWaalsContact CZ-CA 3.46Å; F16-M147 HydrophobicContact CB-CE 4.06Å; F16-M147 HydrophobicContact CD1-CE 4.02Å; F16-M147 HydrophobicContact CD1-SD 4.35Å
17	D	85.3	Confident	72.7	Confident	88 Å²	88	105.5 Å²	105.5	47%	0.471	58%	0.582	S	S	.	*			trans	-80	74.3	-173.8	-169.4	23	0	0	0	111.6	S126 A142	D17-S126 VanDerWaalsContact CB-OG 3.3Å; D17-S126 WeakPolarHBondContact CB-OG 3.35Å; D17-S126 WeakPolarHBondContact OD2-CB 3.47Å; D17-S126 PolarHBondContact OD2-OG 3Å; D17-A142 VanDerWaalsContact O-CB 3.32Å; D17-A142 WeakPolarHBondContact O-CB 3.33Å
18	I	90.4	Very high	75	Confident	31 Å²	31	99.7 Å²	99.7	16%	0.159	57%	0.567	C	S	.	*			trans	-137	146.8	173.6	-161.2	173.8	0	0	0	110	F16 V124 A142 V144 M147 F150 V151	F16-I18 VanDerWaalsContact C-N 3.3Å; F16-I18 PolarHBondContact O-N 3.37Å; I18-V124 HydrophobicContact CD1-CG2 3.84Å; I18-V124 HydrophobicContact CG1-CB 4.44Å; I18-V124 HydrophobicContact CG1-CG2 4.06Å; I18-A142 HydrophobicContact CB-CB 4.31Å; I18-V144 HydrophobicContact CD1-CG2 4.05Å; I18-M147 HydrophobicContact CB-CE 4.41Å; I18-M147 HydrophobicContact CB-SD 4.1Å; I18-M147 HydrophobicContact CG2-CE 3.22Å; I18-M147 HydrophobicContact CG2-SD 3.39Å; I18-M147 WeakPolarHBondContact CG2-SD 3.47Å; I18-F150 HydrophobicContact CG2-CD1 3.89Å; I18-F150 HydrophobicContact CG2-CE1 3.77Å; I18-V151 HydrophobicContact CD1-CG2 4.36Å
19	A	90.9	Very high	77.6	Confident	82 Å²	82	98.4 Å²	98.4	68%	0.678	55%	0.553	S	S	*	*			trans	-132.8	150.8	172.1	0	0	0	0	0	110.1
20	I	92	Very high	79.9	Confident	56 Å²	56	100.9 Å²	100.9	29%	0.287	56%	0.562	S	S	.	*			trans	-104	132	171.4	-57.5	177.2	0	0	0	108	F150 V151 N154 I155	I20-F150 HydrophobicContact CD1-CE1 4.12Å; I20-F150 HydrophobicContact CG1-CE1 4.04Å; I20-V151 HydrophobicContact CD1-CB 4.37Å; I20-V151 HydrophobicContact CD1-CG1 4.32Å; I20-V151 WeakPolarHBondContact CD1-O 3.45Å; I20-N154 HydrophobicContact CD1-CB 3.47Å; I20-N154 VanDerWaalsContact CD1-CB 3.47Å; I20-I155 HydrophobicContact CD1-CG2 4.12Å; I20-I155 HydrophobicContact CG2-CG2 4.19Å
21	V	92.2	Very high	81.8	Confident	122 Å²	122	99.5 Å²	99.5	74%	0.739	55%	0.546	S	S	*	.			trans	-117.2	119.3	175.9	-179.6	0	0	0	0	108.3
22	M	92.2	Very high	83.9	Confident	147 Å²	147	96.4 Å²	96.4	72%	0.724	55%	0.552	S	S	*	*			trans	-90.1	127.9	173.5	-61.8	-179.3	81.5	0	0	109.6
23	L	92.8	Very high	86	Confident	121 Å²	121	95 Å²	95	63%	0.634	54%	0.54	S	S	*	.			trans	-74.9	138.9	173.8	-60.1	177.8	0	0	0	109.7	Q25 V27	L23-Q25 PolarHBondContact O-N 2.65Å; L23-V27 HydrophobicContact CD1-CG2 3.34Å
24	A	95.6	Very high	87.7	Confident	110 Å²	110	96.1 Å²	96.1	91%	0.909	55%	0.551	S	S	*	*	S	Bend	trans	-68	-19.2	179.5	0	0	0	0	0	113.5
25	Q	94.9	Very high	89.2	Confident	166 Å²	166	100.7 Å²	100.7	78%	0.776	58%	0.578	S	S	*	*	S	Bend	trans	-133.7	148.1	179.1	-62	-178.2	25.6	0	0	109.6	L23	L23-Q25 PolarHBondContact O-N 2.65Å
26	M	92.2	Very high	90.5	Very high	195 Å²	195	103.8 Å²	103.8	96%	0.961	59%	0.594	S	S	*	*			trans	-65.4	143.3	175	-69	-173.7	176.6	0	0	110.9
27	V	91.8	Very high	91.2	Very high	63 Å²	63	101.8 Å²	101.8	38%	0.382	59%	0.593	S	S	.	*			trans	-88.2	130.5	177	179.6	0	0	0	0	109.5	L23 L29 I33	L23-V27 HydrophobicContact CD1-CG2 3.34Å; V27-L29 HydrophobicContact CG1-CD2 4.3Å; V27-L29 PolarHBondContact O-N 2.91Å; V27-L29 VanDerWaalsContact O-N 3.15Å; V27-I33 HydrophobicContact CG1-CB 4.42Å; V27-I33 HydrophobicContact CG1-CD1 3.33Å; V27-I33 HydrophobicContact CG1-CG1 4.44Å; V27-I33 HydrophobicContact CG1-CG2 4.03Å
28	N	91.9	Very high	91.8	Very high	95 Å²	95	101 Å²	101	51%	0.508	59%	0.589	S	S	.	*			trans	-75.5	101.5	171.3	-176.1	-1.1	0	0	0	110.5	Q30 S31	N28-Q30 PolarHBondContact O-N 3.32Å; N28-Q30 VanDerWaalsContact O-N 3.12Å; N28-Q30 VanDerWaalsContact OD1-CB 3.26Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.24Å; N28-Q30 WeakPolarHBondContact OD1-CG 3.36Å; N28-Q30 PolarHBondContact OD1-N 3.13Å; N28-S31 PolarHBondContact O-N 3.13Å; N28-S31 PolarHBondContact O-OG 3.4Å
29	L	92.1	Very high	92.1	Very high	94 Å²	94	99.5 Å²	99.5	49%	0.492	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-9.4	-179.9	-58.7	-177.3	0	0	0	114.2	V27 S31 I33 V35	V27-L29 HydrophobicContact CG1-CD2 4.3Å; V27-L29 PolarHBondContact O-N 2.91Å; V27-L29 VanDerWaalsContact O-N 3.15Å; L29-S31 PolarHBondContact O-N 2.92Å; L29-I33 HydrophobicContact CD2-CB 4.45Å; L29-I33 HydrophobicContact CD2-CG2 3.96Å; L29-V35 HydrophobicContact CD1-CG2 3.95Å; L29-V35 HydrophobicContact CD2-CG2 3.76Å
30	Q	90.3	Very high	92.4	Very high	178 Å²	178	100.9 Å²	100.9	83%	0.832	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-10.8	175.1	-59.3	176.6	-14.3	0	0	113.1	N28 G32	N28-Q30 PolarHBondContact O-N 3.32Å; N28-Q30 VanDerWaalsContact O-N 3.12Å; N28-Q30 VanDerWaalsContact OD1-CB 3.26Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.24Å; N28-Q30 WeakPolarHBondContact OD1-CG 3.36Å; N28-Q30 PolarHBondContact OD1-N 3.13Å; Q30-G32 PolarHBondContact O-N 3.19Å
31	S	85.9	Confident	92.6	Very high	75 Å²	75	101.6 Å²	101.6	52%	0.524	59%	0.588	S	S	.	*	S	Bend	trans	-92.6	33	-170.5	62.7	0	0	0	0	115.1	N28 L29 I33	N28-S31 PolarHBondContact O-N 3.13Å; N28-S31 PolarHBondContact O-OG 3.4Å; L29-S31 PolarHBondContact O-N 2.92Å; S31-I33 VanDerWaalsContact C-N 3.27Å; S31-I33 PolarHBondContact O-N 2.81Å; S31-I33 WeakPolarHBondContact OG-CD1 3.16Å
32	G	87.5	Confident	92.7	Very high	78 Å²	78	100.4 Å²	100.4	80%	0.804	59%	0.585	S	S	*	*	S	Bend	trans	73.7	19.9	-176.1	0	0	0	0	0	113.6	Q30	Q30-G32 PolarHBondContact O-N 3.19Å
33	I	90	Very high	92.9	Very high	77 Å²	77	96.1 Å²	96.1	40%	0.395	57%	0.565	S	S	.	*			trans	-102	125.4	176.8	-60.7	173.9	0	0	0	108.4	V27 L29 S31	V27-I33 HydrophobicContact CG1-CB 4.42Å; V27-I33 HydrophobicContact CG1-CD1 3.33Å; V27-I33 HydrophobicContact CG1-CG1 4.44Å; V27-I33 HydrophobicContact CG1-CG2 4.03Å; L29-I33 HydrophobicContact CD2-CB 4.45Å; L29-I33 HydrophobicContact CD2-CG2 3.96Å; S31-I33 VanDerWaalsContact C-N 3.27Å; S31-I33 PolarHBondContact O-N 2.81Å; S31-I33 WeakPolarHBondContact OG-CD1 3.16Å
34	T	88.6	Confident	92.9	Very high	120 Å²	120	93 Å²	93	74%	0.736	55%	0.548	S	S	*	.			trans	-115.3	137.2	175.7	-57.4	0	0	0	0	109.7
35	V	91.5	Very high	92.9	Very high	107 Å²	107	88.9 Å²	88.9	65%	0.648	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-84.9	132.7	172.9	-178	0	0	0	0	109	L29	L29-V35 HydrophobicContact CD1-CG2 3.95Å; L29-V35 HydrophobicContact CD2-CG2 3.76Å
36	I	92.4	Very high	92.9	Very high	65 Å²	65	85.3 Å²	85.3	33%	0.333	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-92.4	136.9	171.6	-55.7	179.2	0	0	0	108.3	L114 G119 V121	I36-L114 HydrophobicContact CD1-CD1 4.35Å; I36-L114 HydrophobicContact CD1-CD2 4.3Å; I36-L114 HydrophobicContact CG2-CD2 4.29Å; I36-G119 WeakPolarHBondContact CG2-O 3.35Å; I36-V121 HydrophobicContact CB-CG2 4.17Å; I36-V121 HydrophobicContact CG2-CG2 3.74Å
37	S	94.9	Very high	93	Very high	67 Å²	67	79 Å²	79	47%	0.469	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-72.4	154.2	-177.4	61.4	0	0	0	0	112.5	P120 V121	S37-P120 VanDerWaalsContact O-CA 3.23Å; S37-P120 WeakPolarHBondContact O-CA 3.18Å; S37-P120 WeakPolarHBondContact O-CB 3.32Å; S37-V121 PolarHBondContact O-N 3.08Å; S37-V121 VanDerWaalsContact O-N 3.16Å
38	L	96.7	Very high	93.1	Very high	71 Å²	71	78.8 Å²	78.8	37%	0.372	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.1	161.5	-66	177.8	0	0	0	109.9	V144 L148 V151	L38-V144 HydrophobicContact CD2-CG1 4.08Å; L38-L148 HydrophobicContact CB-CD2 4.17Å; L38-L148 HydrophobicContact CD1-CD2 4.35Å; L38-V151 HydrophobicContact CD1-CG1 3.76Å; L38-V151 HydrophobicContact CD2-CG1 3.98Å
39	P	97.5	Very high	93.2	Very high	1 Å²	1	76.5 Å²	76.5	1%	0.006	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-68.7	161.5	171.6	29.4	-33.7	0	0	0	111	D43 P120 V121 V144 A145 L148	P39-D43 HydrophobicContact CB-CB 3.84Å; P39-P120 HydrophobicContact CB-CB 4.07Å; P39-P120 HydrophobicContact CB-CG 4.48Å; P39-V121 WeakPolarHBondContact CD-O 3.39Å; P39-V121 VanDerWaalsContact CG-O 3.32Å; P39-V121 WeakPolarHBondContact CG-O 3.4Å; P39-V144 HydrophobicContact CG-CB 3.91Å; P39-V144 HydrophobicContact CG-CG1 3.71Å; P39-A145 HydrophobicContact CB-CB 4.22Å; P39-A145 HydrophobicContact CG-CB 3.99Å; P39-L148 HydrophobicContact CG-CD2 4.46Å; P39-L148 WeakPolarHBondContact O-CD1 3.14Å
40	Q	97.6	Very high	93.3	Very high	111 Å²	111	74.4 Å²	74.4	52%	0.519	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-75	158.6	160.2	-58.5	-57.1	-41.1	0	0	110.1	S42 D43 A145	Q40-S42 PolarHBondContact O-N 3.34Å; Q40-S42 VanDerWaalsContact O-N 3.14Å; Q40-D43 PolarHBondContact N-OD2 3.37Å; Q40-D43 WeakPolarHBondContact O-CB 2.94Å; Q40-D43 PolarHBondContact O-N 3.1Å; Q40-A145 WeakPolarHBondContact O-CB 3.41Å
41	A	95.2	Very high	93.4	Very high	70 Å²	70	66 Å²	66	58%	0.579	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	176.1	0	0	0	0	0	112.5	L148	A41-L148 HydrophobicContact CB-CD1 4.09Å
42	S	95.2	Very high	93.8	Very high	97 Å²	97	64.6 Å²	64.6	68%	0.678	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.6	175.1	53.9	0	0	0	0	114.5	Q40 I44	Q40-S42 PolarHBondContact O-N 3.34Å; Q40-S42 VanDerWaalsContact O-N 3.14Å; S42-I44 PolarHBondContact O-N 2.8Å
43	D	95.5	Very high	94.1	Very high	57 Å²	57	61.4 Å²	61.4	31%	0.305	39%	0.387	S	S	.	.			trans	-82.1	51.3	-176	-60.6	-17.6	0	0	0	110.9	P39 Q40 L122	P39-D43 HydrophobicContact CB-CB 3.84Å; Q40-D43 PolarHBondContact N-OD2 3.37Å; Q40-D43 WeakPolarHBondContact O-CB 2.94Å; Q40-D43 PolarHBondContact O-N 3.1Å; D43-L122 HydrophobicContact CB-CD2 4.23Å; D43-L122 WeakPolarHBondContact O-CD2 3.2Å
44	I	94.3	Very high	94.2	Very high	55 Å²	55	59.3 Å²	59.3	28%	0.282	38%	0.377	S	S	.	.			trans	-87.7	115	170.7	-55.6	-63.8	0	0	0	107.3	S42 A145 R146	S42-I44 PolarHBondContact O-N 2.8Å; I44-A145 HydrophobicContact CD1-CB 3.49Å; I44-A145 VanDerWaalsContact CD1-CB 3.49Å; I44-A145 HydrophobicContact CG1-CB 4.48Å; I44-R146 HydrophobicContact CD1-CG 3.65Å
45	P	94.7	Very high	94.5	Very high	24 Å²	24	54 Å²	54	16%	0.156	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-71.2	143.9	-176.6	31.2	-36.3	0	0	0	111	I80 I92 L122	P45-I80 HydrophobicContact CB-CG1 4.06Å; P45-I80 HydrophobicContact CG-CD1 4.35Å; P45-I80 HydrophobicContact CG-CG1 4.31Å; P45-I92 HydrophobicContact CG-CD1 3.9Å; P45-I92 HydrophobicContact CG-CG1 4.24Å; P45-I92 HydrophobicContact CG-CG2 4.09Å; P45-L122 HydrophobicContact CB-CD1 4.2Å; P45-L122 HydrophobicContact CG-CD1 4.22Å
46	T	95.3	Very high	94.6	Very high	92 Å²	92	55.1 Å²	55.1	56%	0.564	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-89.9	151.7	178.2	55.2	0	0	0	0	111.5	T49	T46-T49 WeakPolarHBondContact O-CB 3.34Å; T46-T49 PolarHBondContact O-N 3.46Å; T46-T49 VanDerWaalsContact O-N 3.11Å; T46-T49 PolarHBondContact O-OG1 2.69Å; T46-T49 PolarHBondContact OG1-OG1 2.92Å
47	P	95	Very high	94.6	Very high	62 Å²	62	52 Å²	52	40%	0.403	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.2	172.9	-19.7	25.1	0	0	0	112.6	T49 E82	P47-T49 VanDerWaalsContact C-N 3.27Å; P47-E82 HydrophobicContact CB-CG 4.19Å; P47-E82 HydrophobicContact CG-CG 3.66Å; P47-E82 WeakPolarHBondContact CG-OE1 3.38Å
48	G	93.4	Very high	94.4	Very high	59 Å²	59	54.2 Å²	54.2	61%	0.608	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-12.5	-174.2	0	0	0	0	0	114	G50 I80	G48-G50 PolarHBondContact O-N 3.47Å; G48-I80 PolarHBondContact N-O 2.79Å
49	T	93.9	Very high	94	Very high	46 Å²	46	52.8 Å²	52.8	28%	0.282	32%	0.315	S	S	.	.			trans	-63.6	129.7	175.7	-60.8	0	0	0	0	110.8	T46 P47 V51 T79 I80	T46-T49 WeakPolarHBondContact O-CB 3.34Å; T46-T49 PolarHBondContact O-N 3.46Å; T46-T49 VanDerWaalsContact O-N 3.11Å; T46-T49 PolarHBondContact O-OG1 2.69Å; T46-T49 PolarHBondContact OG1-OG1 2.92Å; P47-T49 VanDerWaalsContact C-N 3.27Å; T49-V51 HydrophobicContact CG2-CG1 4.25Å; T49-T79 WeakPolarHBondContact O-CA 3.37Å; T49-I80 PolarHBondContact O-N 3.1Å
50	G	93	Very high	93.4	Very high	50 Å²	50	57.1 Å²	57.1	52%	0.515	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.2	170.8	0	0	0	0	0	111.1	G48	G48-G50 PolarHBondContact O-N 3.47Å
51	V	94.1	Very high	92.8	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.6	-176.7	-70.8	0	0	0	0	111.2	T49 R77 A78 I80 V94 L113 L114 L122	T49-V51 HydrophobicContact CG2-CG1 4.25Å; V51-R77 WeakPolarHBondContact O-CA 3.26Å; V51-A78 HydrophobicContact CG2-CB 4.2Å; V51-A78 PolarHBondContact N-O 3.48Å; V51-A78 PolarHBondContact O-N 2.79Å; V51-I80 HydrophobicContact CB-CD1 4.38Å; V51-I80 HydrophobicContact CG1-CD1 3.77Å; V51-I80 HydrophobicContact CG1-CG1 3.82Å; V51-I80 HydrophobicContact CG2-CD1 3.73Å; V51-I80 HydrophobicContact CG2-CG1 4.24Å; V51-V94 HydrophobicContact CG2-CG1 4.38Å; V51-L113 HydrophobicContact CB-CD1 3.93Å; V51-L113 HydrophobicContact CB-CG 4.33Å; V51-L113 HydrophobicContact CG2-CD1 3.67Å; V51-L113 HydrophobicContact CG2-CG 4.41Å; V51-L114 WeakPolarHBondContact CA-O 3.04Å; V51-L122 HydrophobicContact CG1-CD1 4.34Å
52	F	93.7	Very high	92.4	Very high	45 Å²	45	56.1 Å²	56.1	20%	0.197	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.3	173.2	-63.8	-91.4	0	0	0	110	G76 R77 L114 P117	F52-G76 WeakPolarHBondContact CA-O 3.46Å; F52-R77 HydrophobicContact CD1-CG 4.2Å; F52-R77 HydrophobicContact CE1-CG 4.02Å; F52-L114 HydrophobicContact CB-CB 4.31Å; F52-L114 PolarHBondContact N-O 3.47Å; F52-L114 PolarHBondContact O-N 3.42Å; F52-P117 HydrophobicContact CZ-CG 4.49Å
53	I	93.2	Very high	92.2	Very high	11 Å²	11	63 Å²	63	6%	0.056	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.4	171.7	63.2	172.6	0	0	0	107.8	K75 G76 A78 Q102 P104 L113 Y141	I53-K75 CarbonylContact O-C 3.5Å; I53-K75 VanDerWaalsContact O-CA 3.26Å; I53-K75 WeakPolarHBondContact O-CA 3.46Å; I53-G76 PolarHBondContact N-O 2.75Å; I53-G76 PolarHBondContact O-N 3.37Å; I53-A78 HydrophobicContact CG2-CB 3.75Å; I53-Q102 HydrophobicContact CD1-CB 4.26Å; I53-Q102 WeakPolarHBondContact CD1-O 3.12Å; I53-P104 HydrophobicContact CD1-CG 4.32Å; I53-L113 HydrophobicContact CG2-CD1 3.85Å; I53-Y141 WeakPolarHBondContact CG2-OH 3.21Å
54	V	93.1	Very high	92	Very high	32 Å²	32	63.1 Å²	63.1	19%	0.194	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.2	-175.5	-178.5	0	0	0	0	109.4	L73 K74 K75 P112 L114	V54-L73 HydrophobicContact CG1-CD1 3.55Å; V54-L73 HydrophobicContact CG1-CG 4.24Å; V54-K74 WeakPolarHBondContact CA-O 3.28Å; V54-K75 HydrophobicContact CG2-CB 4.18Å; V54-P112 HydrophobicContact CB-CG 4.18Å; V54-L114 HydrophobicContact CG2-CD1 4.22Å
55	G	94.3	Very high	91.8	Very high	9 Å²	9	65.3 Å²	65.3	9%	0.093	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	178	176.2	0	0	0	0	0	114.8	K74 D108	G55-K74 PolarHBondContact N-O 3.24Å; G55-K74 VanDerWaalsContact N-O 3.1Å; G55-K74 PolarHBondContact O-N 3.37Å; G55-D108 WeakPolarHBondContact CA-OD1 3.29Å
56	Y	93.3	Very high	91.6	Very high	131 Å²	131	68.8 Å²	68.8	51%	0.514	38%	0.381	S	S	.	.			trans	-107.7	8.1	-178.8	-68.4	-87.1	0	0	0	112.3	G70 I72 L73 D108	Y56-G70 WeakPolarHBondContact O-CA 3.23Å; Y56-I72 VanDerWaalsContact CD1-C 3.5Å; Y56-L73 HydrophobicContact CD1-CB 4.17Å; Y56-L73 HydrophobicContact CD2-CD1 4.05Å; Y56-L73 HydrophobicContact CE1-CB 3.53Å; Y56-L73 HydrophobicContact CE1-CD1 4.22Å; Y56-L73 HydrophobicContact CE1-CG 4.43Å; Y56-L73 VanDerWaalsContact CE1-N 3.34Å; Y56-L73 HydrophobicContact CE2-CB 4.47Å; Y56-L73 HydrophobicContact CE2-CD1 3.66Å; Y56-L73 HydrophobicContact CG-CD1 4.47Å; Y56-D108 PolarHBondContact N-OD1 2.75Å
57	G	92.5	Very high	91.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.37	C	S	.	.			trans	-64.3	-177.3	-174.9	0	0	0	0	0	113.7	D59 K74 P106 D108	G57-D59 PolarHBondContact O-N 3.32Å; G57-K74 WeakPolarHBondContact O-CE 3.27Å; G57-K74 PolarHBondContact O-NZ 2.92Å; G57-P106 WeakPolarHBondContact CA-O 3.35Å; G57-D108 VanDerWaalsContact CA-OD1 3.29Å; G57-D108 WeakPolarHBondContact CA-OD1 3.43Å; G57-D108 PolarHBondContact N-OD1 2.92Å
58	R	91.2	Very high	91.1	Very high	113 Å²	113	69.3 Å²	69.3	43%	0.426	37%	0.366	S	S	.	.			trans	-54.8	135.8	-172.8	-178.8	178.2	177.1	137.5	-0.3	112.6	D60 K68 A105 P106	R58-D60 IonicContact CZ-OD1 3.78Å; R58-D60 IonicContact NE-OD1 3.05Å; R58-D60 PolarHBondContact NE-OD1 2.98Å; R58-D60 IonicContact NE-OD2 2.79Å; R58-D60 PolarHBondContact NE-OD2 2.82Å; R58-D60 IonicContact NH2-OD1 3.48Å; R58-D60 PolarHBondContact NH2-OD1 3.24Å; R58-D60 IonicContact NH2-OD2 2.75Å; R58-K68 CarbonylContact C-O 3.46Å; R58-K68 WeakPolarHBondContact CA-O 3.39Å; R58-K68 WeakPolarHBondContact CG-O 3.43Å; R58-A105 HydrophobicContact CB-CB 3.99Å; R58-P106 PolarHBondContact N-O 3.03Å
59	D	88.5	Confident	90.9	Very high	40 Å²	40	72.5 Å²	72.5	21%	0.214	37%	0.369	C	S	.	.			trans	-129.6	101.8	172.2	-173.1	-2.5	0	0	0	110.2	G57 N61 D62 K68 K74	G57-D59 PolarHBondContact O-N 3.32Å; D59-N61 PolarHBondContact O-N 3.05Å; D59-N61 WeakPolarHBondContact OD1-CA 3.4Å; D59-N61 WeakPolarHBondContact OD1-CB 3.17Å; D59-N61 PolarHBondContact OD1-N 2.76Å; D59-D62 HydrophobicContact CB-CB 4.27Å; D59-D62 PolarHBondContact O-N 2.9Å; D59-D62 PolarHBondContact OD1-N 3.44Å; D59-K68 PolarHBondContact N-O 3.1Å; D59-K74 HydrophobicContact CB-CD 3.87Å; D59-K74 WeakPolarHBondContact OD2-CD 3.18Å
60	D	85	Confident	90.7	Very high	92 Å²	92	71 Å²	71	49%	0.492	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.6	178.4	-73	-46.8	0	0	0	113.2	R58	R58-D60 IonicContact CZ-OD1 3.78Å; R58-D60 IonicContact NE-OD1 3.05Å; R58-D60 PolarHBondContact NE-OD1 2.98Å; R58-D60 IonicContact NE-OD2 2.79Å; R58-D60 PolarHBondContact NE-OD2 2.82Å; R58-D60 IonicContact NH2-OD1 3.48Å; R58-D60 PolarHBondContact NH2-OD1 3.24Å; R58-D60 IonicContact NH2-OD2 2.75Å
61	N	85	Confident	90.2	Very high	144 Å²	144	71.6 Å²	71.6	77%	0.77	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.5	176.5	-59.4	-58.5	0	0	0	113	D59 R63	D59-N61 PolarHBondContact O-N 3.05Å; D59-N61 WeakPolarHBondContact OD1-CA 3.4Å; D59-N61 WeakPolarHBondContact OD1-CB 3.17Å; D59-N61 PolarHBondContact OD1-N 2.76Å; N61-R63 PolarHBondContact O-N 2.73Å
62	D	87	Confident	90	Very high	16 Å²	16	74.7 Å²	74.7	9%	0.086	39%	0.385	C	S	.	.			trans	-66.5	125.6	175.8	-158.9	-35.1	0	0	0	109.7	D59 D64 R67 K68	D59-D62 HydrophobicContact CB-CB 4.27Å; D59-D62 PolarHBondContact O-N 2.9Å; D59-D62 PolarHBondContact OD1-N 3.44Å; D62-D64 PolarHBondContact O-N 3.21Å; D62-D64 PolarHBondContact OD1-N 2.87Å; D62-R67 IonicContact OD1-CZ 3.5Å; D62-R67 IonicContact OD1-NE 2.92Å; D62-R67 PolarHBondContact OD1-NE 3.17Å; D62-R67 IonicContact OD1-NH2 3.37Å; D62-R67 PolarHBondContact OD1-NH2 2.92Å; D62-R67 WeakPolarHBondContact OD2-CB 3Å; D62-R67 IonicContact OD2-CZ 4Å; D62-R67 IonicContact OD2-NE 2.75Å; D62-R67 PolarHBondContact OD2-NE 2.93Å; D62-R67 IonicContact OD2-NH2 3.47Å; D62-R67 PolarHBondContact OD2-NH2 3.28Å; D62-K68 HydrophobicContact CB-CG 4.38Å; D62-K68 WeakPolarHBondContact O-CE 3.42Å
63	R	90	Very high	89.9	Confident	243 Å²	243	77 Å²	77	92%	0.917	40%	0.399	S	S	*	.	S	Bend	trans	-71.8	-23.2	-179.7	-65.2	-176.7	179.7	176.4	-0.4	112.2	N61 P65	N61-R63 PolarHBondContact O-N 2.73Å; R63-P65 WeakPolarHBondContact O-CD 3.35Å
64	D	91.4	Very high	89.8	Confident	59 Å²	59	78.7 Å²	78.7	32%	0.316	41%	0.406	S	S	.	.	S	Bend	trans	-89	111.3	174.3	-174.3	-18.9	0	0	0	109.6	D62 S66 R67 K68	D62-D64 PolarHBondContact O-N 3.21Å; D62-D64 PolarHBondContact OD1-N 2.87Å; D64-S66 PolarHBondContact O-N 3.41Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 WeakPolarHBondContact OD1-CB 3.3Å; D64-S66 PolarHBondContact OD1-N 3.36Å; D64-S66 PolarHBondContact OD1-OG 2.93Å; D64-S66 PolarHBondContact OD2-OG 3.21Å; D64-R67 HydrophobicContact CB-CB 4.3Å; D64-R67 HydrophobicContact CB-CG 4.08Å; D64-R67 PolarHBondContact O-N 2.62Å; D64-R67 IonicContact OD2-NE 3.2Å; D64-K68 PolarHBondContact O-N 2.99Å
65	P	89.9	Confident	89.6	Confident	101 Å²	101	84.6 Å²	84.6	66%	0.656	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.7	179.4	-24.2	35.4	0	0	0	113.6	R63 R67 K68	R63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-R67 PolarHBondContact O-N 3.15Å; P65-K68 PolarHBondContact O-N 2.85Å
66	S	90.6	Very high	89.4	Confident	96 Å²	96	84.5 Å²	84.5	67%	0.671	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.8	179.2	73.6	0	0	0	0	112.9	D64	D64-S66 PolarHBondContact O-N 3.41Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 WeakPolarHBondContact OD1-CB 3.3Å; D64-S66 PolarHBondContact OD1-N 3.36Å; D64-S66 PolarHBondContact OD1-OG 2.93Å; D64-S66 PolarHBondContact OD2-OG 3.21Å
67	R	90.3	Very high	89.3	Confident	92 Å²	92	86.8 Å²	86.8	35%	0.347	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-100.7	-4.6	-179.3	-59	-170.1	-47.1	-154.1	-5.4	114.5	D62 D64 P65 N69 G70	D62-R67 IonicContact OD1-CZ 3.5Å; D62-R67 IonicContact OD1-NE 2.92Å; D62-R67 PolarHBondContact OD1-NE 3.17Å; D62-R67 IonicContact OD1-NH2 3.37Å; D62-R67 PolarHBondContact OD1-NH2 2.92Å; D62-R67 WeakPolarHBondContact OD2-CB 3Å; D62-R67 IonicContact OD2-CZ 4Å; D62-R67 IonicContact OD2-NE 2.75Å; D62-R67 PolarHBondContact OD2-NE 2.93Å; D62-R67 IonicContact OD2-NH2 3.47Å; D62-R67 PolarHBondContact OD2-NH2 3.28Å; D64-R67 HydrophobicContact CB-CB 4.3Å; D64-R67 HydrophobicContact CB-CG 4.08Å; D64-R67 PolarHBondContact O-N 2.62Å; D64-R67 IonicContact OD2-NE 3.2Å; P65-R67 PolarHBondContact O-N 3.15Å; R67-N69 VanDerWaalsContact C-N 3.25Å; R67-N69 PolarHBondContact O-N 3.22Å; R67-G70 CarbonylContact C-O 3.31Å; R67-G70 VanDerWaalsContact C-O 3.31Å; R67-G70 WeakPolarHBondContact CA-O 3.32Å; R67-G70 CarbonylContact O-C 3.33Å; R67-G70 PolarHBondContact O-N 3.28Å
68	K	89.7	Confident	89.3	Confident	74 Å²	74	86.9 Å²	86.9	32%	0.322	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.3	-177.8	-75.1	-168.9	175.8	-158	0	113.6	R58 D59 D62 D64 P65 G70	R58-K68 CarbonylContact C-O 3.46Å; R58-K68 WeakPolarHBondContact CA-O 3.39Å; R58-K68 WeakPolarHBondContact CG-O 3.43Å; D59-K68 PolarHBondContact N-O 3.1Å; D62-K68 HydrophobicContact CB-CG 4.38Å; D62-K68 WeakPolarHBondContact O-CE 3.42Å; D64-K68 PolarHBondContact O-N 2.99Å; P65-K68 PolarHBondContact O-N 2.85Å; K68-G70 VanDerWaalsContact C-N 3.34Å
69	N	89.4	Confident	89.4	Confident	125 Å²	125	83 Å²	83	67%	0.668	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	14.9	177.5	-63.5	-41.4	0	0	0	112.7	R67	R67-N69 VanDerWaalsContact C-N 3.25Å; R67-N69 PolarHBondContact O-N 3.22Å
70	G	88.9	Confident	89.7	Confident	15 Å²	15	81.3 Å²	81.3	16%	0.155	42%	0.416	C	S	.	.	S	Bend	trans	130	-178.8	175.7	0	0	0	0	0	114.3	Y56 R67 K68	Y56-G70 WeakPolarHBondContact O-CA 3.23Å; R67-G70 CarbonylContact C-O 3.31Å; R67-G70 VanDerWaalsContact C-O 3.31Å; R67-G70 WeakPolarHBondContact CA-O 3.32Å; R67-G70 CarbonylContact O-C 3.33Å; R67-G70 PolarHBondContact O-N 3.28Å; K68-G70 VanDerWaalsContact C-N 3.34Å
71	G	84.5	Confident	90.1	Very high	63 Å²	63	77.9 Å²	77.9	65%	0.649	40%	0.397	S	S	*	.	S	Bend	trans	115.7	-15.8	-179.4	0	0	0	0	0	114.8
72	I	89.6	Confident	90.5	Very high	67 Å²	67	77 Å²	77	34%	0.344	39%	0.389	S	S	.	.	S	Bend	trans	-122.4	132	168.7	-67.5	171.5	0	0	0	109.4	Y56 K74	Y56-I72 VanDerWaalsContact CD1-C 3.5Å; I72-K74 HydrophobicContact CG2-CG 4.44Å; I72-K74 PolarHBondContact O-N 3.5Å; I72-K74 PolarHBondContact O-NZ 3.3Å
73	L	91.4	Very high	90.6	Very high	94 Å²	94	77.9 Å²	77.9	49%	0.492	40%	0.396	S	S	.	.			trans	-69	123.4	170.3	-175.9	59.4	0	0	0	109.5	V54 Y56	V54-L73 HydrophobicContact CG1-CD1 3.55Å; V54-L73 HydrophobicContact CG1-CG 4.24Å; Y56-L73 HydrophobicContact CD1-CB 4.17Å; Y56-L73 HydrophobicContact CD2-CD1 4.05Å; Y56-L73 HydrophobicContact CE1-CB 3.53Å; Y56-L73 HydrophobicContact CE1-CD1 4.22Å; Y56-L73 HydrophobicContact CE1-CG 4.43Å; Y56-L73 VanDerWaalsContact CE1-N 3.34Å; Y56-L73 HydrophobicContact CE2-CB 4.47Å; Y56-L73 HydrophobicContact CE2-CD1 3.66Å; Y56-L73 HydrophobicContact CG-CD1 4.47Å
74	K	89.9	Confident	90.6	Very high	46 Å²	46	74.4 Å²	74.4	20%	0.2	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	155.2	179.1	-64.9	170.5	-67.9	-77.7	0	109.9	V54 G55 G57 D59 I72	V54-K74 WeakPolarHBondContact CA-O 3.28Å; G55-K74 PolarHBondContact N-O 3.24Å; G55-K74 VanDerWaalsContact N-O 3.1Å; G55-K74 PolarHBondContact O-N 3.37Å; G57-K74 WeakPolarHBondContact O-CE 3.27Å; G57-K74 PolarHBondContact O-NZ 2.92Å; D59-K74 HydrophobicContact CB-CD 3.87Å; D59-K74 WeakPolarHBondContact OD2-CD 3.18Å; I72-K74 HydrophobicContact CG2-CG 4.44Å; I72-K74 PolarHBondContact O-N 3.5Å; I72-K74 PolarHBondContact O-NZ 3.3Å
75	K	89.7	Confident	90.4	Very high	157 Å²	157	73.8 Å²	73.8	68%	0.683	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	141	171.4	69.6	-177.8	-178.7	-175.5	0	109.8	I53 V54 Q102	I53-K75 CarbonylContact O-C 3.5Å; I53-K75 VanDerWaalsContact O-CA 3.26Å; I53-K75 WeakPolarHBondContact O-CA 3.46Å; V54-K75 HydrophobicContact CG2-CB 4.18Å; K75-Q102 PolarHBondContact O-OE1 3.02Å
76	G	89.5	Confident	90.4	Very high	6 Å²	6	73.8 Å²	73.8	6%	0.062	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	172.9	176.6	0	0	0	0	0	112	F52 I53	F52-G76 WeakPolarHBondContact CA-O 3.46Å; I53-G76 PolarHBondContact N-O 2.75Å; I53-G76 PolarHBondContact O-N 3.37Å
77	R	91.6	Very high	90.3	Very high	180 Å²	180	71.3 Å²	71.3	68%	0.679	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	135	171.1	-73.2	-177.5	173.8	172.8	-0.1	109.4	V51 F52	V51-R77 WeakPolarHBondContact O-CA 3.26Å; F52-R77 HydrophobicContact CD1-CG 4.2Å; F52-R77 HydrophobicContact CE1-CG 4.02Å
78	A	92.6	Very high	90.1	Very high	2 Å²	2	70.4 Å²	70.4	2%	0.017	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	176.3	178.8	0	0	0	0	0	110.1	V51 I53 V94 K95	V51-A78 HydrophobicContact CG2-CB 4.2Å; V51-A78 PolarHBondContact N-O 3.48Å; V51-A78 PolarHBondContact O-N 2.79Å; I53-A78 HydrophobicContact CG2-CB 3.75Å; A78-V94 HydrophobicContact CB-CG1 3.39Å; A78-K95 WeakPolarHBondContact CB-O 3.49Å
79	T	93.1	Very high	89.9	Confident	30 Å²	30	67.9 Å²	67.9	18%	0.184	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	-178	-54.7	0	0	0	0	110.3	T49 K95	T49-T79 WeakPolarHBondContact O-CA 3.37Å; T79-K95 PolarHBondContact N-O 3.05Å; T79-K95 WeakPolarHBondContact O-CG 3.4Å; T79-K95 PolarHBondContact O-N 3.48Å
80	I	94.3	Very high	90	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.5	172.6	-54.7	-54.9	0	0	0	109.4	P45 G48 T49 V51 I92 V94 L113	P45-I80 HydrophobicContact CB-CG1 4.06Å; P45-I80 HydrophobicContact CG-CD1 4.35Å; P45-I80 HydrophobicContact CG-CG1 4.31Å; G48-I80 PolarHBondContact N-O 2.79Å; T49-I80 PolarHBondContact O-N 3.1Å; V51-I80 HydrophobicContact CB-CD1 4.38Å; V51-I80 HydrophobicContact CG1-CD1 3.77Å; V51-I80 HydrophobicContact CG1-CG1 3.82Å; V51-I80 HydrophobicContact CG2-CD1 3.73Å; V51-I80 HydrophobicContact CG2-CG1 4.24Å; I80-I92 HydrophobicContact CD1-CG2 3.58Å; I80-I92 HydrophobicContact CG2-CG2 4.31Å; I80-V94 HydrophobicContact CD1-CG2 3.73Å; I80-L113 HydrophobicContact CD1-CD2 3.93Å
81	M	93	Very high	90.2	Very high	19 Å²	19	65.5 Å²	65.5	9%	0.094	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	162.8	172.8	64.8	176.1	-76	0	0	111	C83 R84 C93 K95 L134 I138	M81-C83 PolarHBondContact O-N 3.46Å; M81-R84 HydrophobicContact CE-CG 3.86Å; M81-C93 HydrophobicContact CG-CB 4.12Å; M81-C93 PolarHBondContact N-O 2.99Å; M81-K95 HydrophobicContact CB-CD 4.42Å; M81-K95 HydrophobicContact CB-CG 4.3Å; M81-K95 HydrophobicContact CG-CB 4.42Å; M81-K95 HydrophobicContact CG-CG 4.21Å; M81-K95 HydrophobicContact SD-CB 3.63Å; M81-K95 HydrophobicContact SD-CD 3.83Å; M81-K95 HydrophobicContact SD-CG 3.77Å; M81-L134 HydrophobicContact CE-CD1 4.05Å; M81-I138 HydrophobicContact CE-CD1 3.63Å; M81-I138 HydrophobicContact CE-CG1 4.19Å; M81-I138 HydrophobicContact SD-CD1 3.9Å; M81-I138 HydrophobicContact SD-CG1 3.82Å
82	E	93.1	Very high	90.8	Very high	126 Å²	126	62.9 Å²	62.9	59%	0.589	32%	0.319	S	S	*	.			trans	-59.9	136.6	165.5	-67	-64.9	176.1	0	0	110.2	P47 R84	P47-E82 HydrophobicContact CB-CG 4.19Å; P47-E82 HydrophobicContact CG-CG 3.66Å; P47-E82 WeakPolarHBondContact CG-OE1 3.38Å; E82-R84 PolarHBondContact O-N 2.89Å
83	C	91	Very high	91	Very high	35 Å²	35	59.8 Å²	59.8	24%	0.236	30%	0.304	C	S	.	.			trans	-67.5	112.5	169.3	-63.1	0	0	0	0	108.6	M81 H85 T87 C93	M81-C83 PolarHBondContact O-N 3.46Å; C83-H85 PolarHBondContact O-N 2.9Å; C83-T87 HydrophobicContact CB-CG2 3.67Å; C83-C93 WeakPolarHBondContact CA-SG 3.37Å; C83-C93 HydrophobicContact CB-CB 4.03Å; C83-C93 WeakPolarHBondContact CB-SG 3.41Å; C83-C93 WeakPolarHBondContact SG-CB 2.97Å; C83-C93 CovalentContact SG-SG 2.03Å; C83-C93 PolarHBondContact SG-SG 3.04Å
84	R	88.8	Confident	91.1	Very high	170 Å²	170	55.3 Å²	55.3	64%	0.642	28%	0.28	S	S	*	.			trans	-92.7	27	-174.4	-65.6	-174.2	179.9	-171.7	-1.6	113	M81 E82 L131	M81-R84 HydrophobicContact CE-CG 3.86Å; E82-R84 PolarHBondContact O-N 2.89Å; R84-L131 HydrophobicContact CB-CD1 4Å
85	H	88.5	Confident	91.1	Very high	45 Å²	45	56.7 Å²	56.7	21%	0.208	29%	0.286	C	S	.	.	S	Bend	trans	-153.6	166	-177.6	57.7	-79.4	0	0	0	109.5	C83 T87 L131 E140	C83-H85 PolarHBondContact O-N 2.9Å; H85-T87 PolarHBondContact O-N 2.83Å; H85-L131 HydrophobicContact CB-CD1 4.12Å; H85-L131 HydrophobicContact CB-CD2 3.84Å; H85-E140 IonicContact CD2-OE1 3.65Å; H85-E140 IonicContact CE1-OE1 3.51Å; H85-E140 IonicContact NE2-OE1 2.64Å; H85-E140 PolarHBondContact NE2-OE1 3.12Å
86	A	89.1	Confident	91	Very high	102 Å²	102	49.9 Å²	49.9	84%	0.843	26%	0.259	S	S	*	.			trans	-65	127.8	175	0	0	0	0	0	109.7
87	T	88.5	Confident	90.3	Very high	43 Å²	43	50.3 Å²	50.3	26%	0.264	26%	0.264	S	S	.	.			trans	-121.7	151.9	179.4	60.3	0	0	0	0	110.9	C83 H85 P91	C83-T87 HydrophobicContact CB-CG2 3.67Å; H85-T87 PolarHBondContact O-N 2.83Å; T87-P91 VanDerWaalsContact CB-CD 3.4Å; T87-P91 HydrophobicContact CG2-CG 3.71Å; T87-P91 WeakPolarHBondContact OG1-CD 3.44Å
88	N	85.1	Confident	89.1	Confident	73 Å²	73	50.5 Å²	50.5	39%	0.39	27%	0.273	S	S	.	.	S	Bend	trans	-102.7	147.2	168.7	-74.8	-31.6	0	0	0	109.2	T12 S14 G15 N90 P91	T12-N88 PolarHBondContact O-ND2 3.25Å; S14-N88 PolarHBondContact OG-N 3.15Å; G15-N88 WeakPolarHBondContact CA-O 3.26Å; G15-N88 PolarHBondContact N-O 3.34Å; N88-N90 PolarHBondContact O-N 3.11Å; N88-N90 VanDerWaalsContact O-N 3.12Å; N88-P91 WeakPolarHBondContact O-CD 3.43Å
89	G	85.7	Confident	87.4	Confident	22 Å²	22	57 Å²	57	23%	0.227	31%	0.307	C	S	.	.	S	Bend	trans	70.2	4.7	173.8	0	0	0	0	0	116.2	F16	F16-G89 VanDerWaalsContact CE2-CA 3.41Å; F16-G89 VanDerWaalsContact CZ-CA 3.46Å
90	N	91	Very high	85.6	Confident	87 Å²	87	64 Å²	64	47%	0.465	34%	0.335	S	S	.	.			trans	53.7	69.7	179.3	-157.6	1.2	0	0	0	110.5	N88 R146	N88-N90 PolarHBondContact O-N 3.11Å; N88-N90 VanDerWaalsContact O-N 3.12Å; N90-R146 VanDerWaalsContact C-NH1 3.32Å; N90-R146 PolarHBondContact ND2-NE 2.9Å; N90-R146 PolarHBondContact ND2-NH1 2.92Å; N90-R146 PolarHBondContact ND2-NH2 3.48Å; N90-R146 WeakPolarHBondContact O-CD 3.41Å; N90-R146 PolarHBondContact O-NH1 2.93Å; N90-R146 PolarHBondContact OD1-NH1 2.03Å; N90-R146 PolarHBondContact OD1-NH2 3.35Å
91	P	94.6	Very high	83.9	Confident	3 Å²	3	67 Å²	67	2%	0.019	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-71.5	170.5	178.8	33.8	-35.6	0	0	0	110.6	T87 N88 E140 Y141 R146	T87-P91 VanDerWaalsContact CB-CD 3.4Å; T87-P91 HydrophobicContact CG2-CG 3.71Å; T87-P91 WeakPolarHBondContact OG1-CD 3.44Å; N88-P91 WeakPolarHBondContact O-CD 3.43Å; P91-E140 HydrophobicContact CB-CB 4.07Å; P91-E140 HydrophobicContact CB-CG 4.17Å; P91-E140 HydrophobicContact CG-CB 4.48Å; P91-E140 HydrophobicContact CG-CG 4.04Å; P91-E140 WeakPolarHBondContact CG-OE2 3.38Å; P91-Y141 CarbonylContact C-O 3.47Å; P91-Y141 WeakPolarHBondContact CA-O 3.47Å; P91-Y141 WeakPolarHBondContact CB-O 3.41Å; P91-R146 PolarHBondContact O-NH1 2.89Å
92	I	95.6	Very high	83	Confident	7 Å²	7	70.6 Å²	70.6	4%	0.036	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.5	164.8	-62.7	164	0	0	0	107.4	P45 I80 V94 L113 L122 Y141	P45-I92 HydrophobicContact CG-CD1 3.9Å; P45-I92 HydrophobicContact CG-CG1 4.24Å; P45-I92 HydrophobicContact CG-CG2 4.09Å; I80-I92 HydrophobicContact CD1-CG2 3.58Å; I80-I92 HydrophobicContact CG2-CG2 4.31Å; I92-V94 HydrophobicContact CG2-CG2 4.11Å; I92-L113 HydrophobicContact CB-CD2 4.5Å; I92-L113 HydrophobicContact CD1-CD2 4.49Å; I92-L113 HydrophobicContact CG2-CD2 3.81Å; I92-L122 HydrophobicContact CD1-CB 4.36Å; I92-L122 WeakPolarHBondContact CD1-O 3.03Å; I92-Y141 PolarHBondContact N-O 2.83Å; I92-Y141 PolarHBondContact O-N 2.64Å
93	C	94.1	Very high	82.4	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.014	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.3	176.2	-70.3	0	0	0	0	111.1	M81 C83 I138	M81-C93 HydrophobicContact CG-CB 4.12Å; M81-C93 PolarHBondContact N-O 2.99Å; C83-C93 WeakPolarHBondContact CA-SG 3.37Å; C83-C93 HydrophobicContact CB-CB 4.03Å; C83-C93 WeakPolarHBondContact CB-SG 3.41Å; C83-C93 WeakPolarHBondContact SG-CB 2.97Å; C83-C93 CovalentContact SG-SG 2.03Å; C83-C93 PolarHBondContact SG-SG 3.04Å; C93-I138 HydrophobicContact CB-CG2 3.72Å
94	V	93.7	Very high	82.1	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.7	-175.8	-176.9	0	0	0	0	109.3	V51 A78 I80 I92 L113 I138 V139 Y141	V51-V94 HydrophobicContact CG2-CG1 4.38Å; A78-V94 HydrophobicContact CB-CG1 3.39Å; I80-V94 HydrophobicContact CD1-CG2 3.73Å; I92-V94 HydrophobicContact CG2-CG2 4.11Å; V94-L113 HydrophobicContact CG2-CD1 4.17Å; V94-L113 HydrophobicContact CG2-CD2 3.85Å; V94-I138 CarbonylContact O-C 3.56Å; V94-I138 WeakPolarHBondContact O-CA 3.36Å; V94-V139 PolarHBondContact N-O 2.87Å; V94-V139 PolarHBondContact O-N 3.31Å; V94-Y141 HydrophobicContact CB-CD2 4.13Å; V94-Y141 HydrophobicContact CB-CE2 3.72Å; V94-Y141 HydrophobicContact CG1-CE2 4.33Å; V94-Y141 HydrophobicContact CG2-CD2 3.48Å; V94-Y141 VanDerWaalsContact CG2-CD2 3.48Å; V94-Y141 HydrophobicContact CG2-CE2 3.44Å; V94-Y141 VanDerWaalsContact CG2-CE2 3.44Å; V94-Y141 HydrophobicContact CG2-CG 4.47Å
95	K	91.5	Very high	82.1	Confident	75 Å²	75	59.3 Å²	59.3	33%	0.326	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	165.5	170.8	59.4	168	-174.6	170.6	0	111.2	A78 T79 M81 G97	A78-K95 WeakPolarHBondContact CB-O 3.49Å; T79-K95 PolarHBondContact N-O 3.05Å; T79-K95 WeakPolarHBondContact O-CG 3.4Å; T79-K95 PolarHBondContact O-N 3.48Å; M81-K95 HydrophobicContact CB-CD 4.42Å; M81-K95 HydrophobicContact CB-CG 4.3Å; M81-K95 HydrophobicContact CG-CB 4.42Å; M81-K95 HydrophobicContact CG-CG 4.21Å; M81-K95 HydrophobicContact SD-CB 3.63Å; M81-K95 HydrophobicContact SD-CD 3.83Å; M81-K95 HydrophobicContact SD-CG 3.77Å; K95-G97 PolarHBondContact O-N 3.45Å
96	A	87.2	Confident	82.1	Confident	15 Å²	15	62.1 Å²	62.1	12%	0.124	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	139.3	171.1	0	0	0	0	0	110.5	L103	A96-L103 HydrophobicContact CB-CD1 4.3Å; A96-L103 HydrophobicContact CB-CD2 4.28Å; A96-L103 HydrophobicContact CB-CG 4.02Å; A96-L103 VanDerWaalsContact N-CD2 3.32Å
97	G	74.3	Confident	82.3	Confident	15 Å²	15	60 Å²	60	16%	0.155	35%	0.354	C	S	.	.			trans	-69.2	154.3	174.2	0	0	0	0	0	111.4	K95 N99	K95-G97 PolarHBondContact O-N 3.45Å; G97-N99 PolarHBondContact O-N 2.98Å; G97-N99 VanDerWaalsContact O-N 3.07Å
98	Q	65.7	Low	82.5	Confident	184 Å²	184	58.8 Å²	58.8	86%	0.86	35%	0.345	S	S	*	.	S	Bend	trans	-57.6	-25.4	-176.8	-71.2	-175.7	-31.3	0	0	114.6
99	N	56.5	Low	82.9	Confident	138 Å²	138	59.4 Å²	59.4	74%	0.738	36%	0.355	S	S	*	.	S	Bend	trans	-114.4	-13	-169.3	-77.3	-27.7	0	0	0	116.8	G97	G97-N99 PolarHBondContact O-N 2.98Å; G97-N99 VanDerWaalsContact O-N 3.07Å
100	F	55.6	Low	83.3	Confident	177 Å²	177	60.8 Å²	60.8	78%	0.776	37%	0.37	S	S	*	.	S	Bend	trans	-158.3	114.8	169.9	-76.5	-72.9	0	0	0	109	Q102	F100-Q102 PolarHBondContact O-N 3.22Å
101	G	59.7	Low	83.4	Confident	68 Å²	68	57.1 Å²	57.1	70%	0.701	35%	0.352	S	S	*	.			trans	-75.2	79.2	-173.3	0	0	0	0	0	113.4
102	Q	73.7	Confident	83.5	Confident	96 Å²	96	58.7 Å²	58.7	45%	0.449	36%	0.363	S	S	.	.			trans	-109.8	119.7	164	-70.9	176.8	-21.9	0	0	108.5	I53 K75 F100	I53-Q102 HydrophobicContact CD1-CB 4.26Å; I53-Q102 WeakPolarHBondContact CD1-O 3.12Å; K75-Q102 PolarHBondContact O-OE1 3.02Å; F100-Q102 PolarHBondContact O-N 3.22Å
103	L	80.9	Confident	83.5	Confident	44 Å²	44	58.4 Å²	58.4	23%	0.23	36%	0.361	C	S	.	.			trans	-115.3	152.5	168.1	-77.8	173.9	0	0	0	108.3	A96 A105 I137 V139	A96-L103 HydrophobicContact CB-CD1 4.3Å; A96-L103 HydrophobicContact CB-CD2 4.28Å; A96-L103 HydrophobicContact CB-CG 4.02Å; A96-L103 VanDerWaalsContact N-CD2 3.32Å; L103-A105 PolarHBondContact O-N 3.31Å; L103-I137 HydrophobicContact CD1-CB 3.84Å; L103-I137 HydrophobicContact CD1-CG2 4.42Å; L103-I137 WeakPolarHBondContact CD1-O 3.5Å; L103-V139 HydrophobicContact CD2-CG2 4.23Å
104	P	84.8	Confident	83.7	Confident	20 Å²	20	58.7 Å²	58.7	13%	0.13	36%	0.363	C	S	.	.			trans	-50.1	135.5	164.6	-26.3	34.8	0	0	0	111	I53 D108 V125 V139 Y141	I53-P104 HydrophobicContact CD1-CG 4.32Å; P104-D108 WeakPolarHBondContact CA-OD2 3.15Å; P104-D108 HydrophobicContact CB-CB 3.87Å; P104-V125 HydrophobicContact CB-CG1 3.98Å; P104-V125 HydrophobicContact CB-CG2 4.29Å; P104-V125 HydrophobicContact CG-CG2 4.18Å; P104-V139 HydrophobicContact CB-CG1 4.09Å; P104-V139 HydrophobicContact CB-CG2 4.23Å; P104-V139 HydrophobicContact CG-CB 4.24Å; P104-V139 HydrophobicContact CG-CG1 3.91Å; P104-V139 HydrophobicContact CG-CG2 4.13Å; P104-Y141 HydrophobicContact CG-CE2 4.39Å; P104-Y141 WeakPolarHBondContact CG-OH 3.5Å
105	A	87.8	Confident	83.8	Confident	30 Å²	30	61 Å²	61	25%	0.248	38%	0.377	C	S	.	.			trans	-116.8	174.7	179.4	0	0	0	0	0	109.6	R58 L103 G107 D108	R58-A105 HydrophobicContact CB-CB 3.99Å; L103-A105 PolarHBondContact O-N 3.31Å; A105-G107 PolarHBondContact O-N 3.12Å; A105-D108 PolarHBondContact N-OD2 2.91Å; A105-D108 WeakPolarHBondContact O-CB 3.48Å; A105-D108 PolarHBondContact O-N 3.16Å
106	P	89.4	Confident	83.9	Confident	104 Å²	104	59.7 Å²	59.7	68%	0.675	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	129.2	173.4	-28.2	36.8	0	0	0	111.5	G57 R58	G57-P106 WeakPolarHBondContact CA-O 3.35Å; R58-P106 PolarHBondContact N-O 3.03Å
107	G	92	Very high	84	Confident	58 Å²	58	62.4 Å²	62.4	60%	0.598	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-7.8	-174.7	0	0	0	0	0	115.2	A105	A105-G107 PolarHBondContact O-N 3.12Å
108	D	93.9	Very high	84.7	Confident	16 Å²	16	69 Å²	69	9%	0.086	42%	0.421	C	S	.	.			trans	-86.4	-6.4	172.3	-70.8	-46.1	0	0	0	113.8	G55 Y56 G57 P104 A105 G110 G111 V125	G55-D108 WeakPolarHBondContact CA-OD1 3.29Å; Y56-D108 PolarHBondContact N-OD1 2.75Å; G57-D108 VanDerWaalsContact CA-OD1 3.29Å; G57-D108 WeakPolarHBondContact CA-OD1 3.43Å; G57-D108 PolarHBondContact N-OD1 2.92Å; P104-D108 WeakPolarHBondContact CA-OD2 3.15Å; P104-D108 HydrophobicContact CB-CB 3.87Å; A105-D108 PolarHBondContact N-OD2 2.91Å; A105-D108 WeakPolarHBondContact O-CB 3.48Å; A105-D108 PolarHBondContact O-N 3.16Å; D108-G110 PolarHBondContact O-N 2.79Å; D108-G111 WeakPolarHBondContact O-CA 3.21Å; D108-G111 PolarHBondContact O-N 3.47Å; D108-V125 HydrophobicContact CB-CG1 4.49Å; D108-V125 VanDerWaalsContact O-CB 3.27Å; D108-V125 WeakPolarHBondContact O-CB 3.32Å; D108-V125 WeakPolarHBondContact O-CG2 3.29Å
109	S	93	Very high	86.1	Confident	86 Å²	86	60.7 Å²	60.7	60%	0.601	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	134.1	176	-62.6	0	0	0	0	111.3	G111 S126	S109-G111 VanDerWaalsContact C-N 3.26Å; S109-S126 PolarHBondContact OG-O 2.9Å
110	G	93.5	Very high	88	Confident	52 Å²	52	55.3 Å²	55.3	54%	0.536	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-10.5	-171.7	0	0	0	0	0	114.7	D108 V124 V125	D108-G110 PolarHBondContact O-N 2.79Å; G110-V124 VanDerWaalsContact CA-CG1 3.47Å; G110-V125 PolarHBondContact N-O 3.33Å
111	G	94.8	Very high	90	Very high	9 Å²	9	48.1 Å²	48.1	9%	0.093	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.4	147.9	177.3	0	0	0	0	0	112.8	D108 S109 V124 V125	D108-G111 WeakPolarHBondContact O-CA 3.21Å; D108-G111 PolarHBondContact O-N 3.47Å; S109-G111 VanDerWaalsContact C-N 3.26Å; G111-V124 WeakPolarHBondContact O-CA 3.47Å; G111-V125 WeakPolarHBondContact O-CG2 3.34Å; G111-V125 PolarHBondContact O-N 3.39Å
112	P	96.1	Very high	91.8	Very high	37 Å²	37	45.3 Å²	45.3	24%	0.24	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	144.2	-177.1	32.7	-34.7	0	0	0	112.8	V54 L114 V121	V54-P112 HydrophobicContact CB-CG 4.18Å; P112-L114 HydrophobicContact CB-CD2 4.05Å; P112-L114 HydrophobicContact CB-CG 4.23Å; P112-L114 HydrophobicContact CG-CD1 4.5Å; P112-L114 HydrophobicContact CG-CG 4.49Å; P112-V121 HydrophobicContact CB-CG1 3.91Å; P112-V121 HydrophobicContact CB-CG2 4.45Å
113	L	96.3	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124	163	-167.6	64.4	0	0	0	109.6	V51 I53 I80 I92 V94 L122 G123 Y141	V51-L113 HydrophobicContact CB-CD1 3.93Å; V51-L113 HydrophobicContact CB-CG 4.33Å; V51-L113 HydrophobicContact CG2-CD1 3.67Å; V51-L113 HydrophobicContact CG2-CG 4.41Å; I53-L113 HydrophobicContact CG2-CD1 3.85Å; I80-L113 HydrophobicContact CD1-CD2 3.93Å; I92-L113 HydrophobicContact CB-CD2 4.5Å; I92-L113 HydrophobicContact CD1-CD2 4.49Å; I92-L113 HydrophobicContact CG2-CD2 3.81Å; V94-L113 HydrophobicContact CG2-CD1 4.17Å; V94-L113 HydrophobicContact CG2-CD2 3.85Å; L113-L122 PolarHBondContact O-N 2.87Å; L113-G123 PolarHBondContact N-O 2.88Å; L113-Y141 HydrophobicContact CB-CD1 3.58Å; L113-Y141 HydrophobicContact CB-CE1 3.6Å; L113-Y141 HydrophobicContact CB-CG 4.33Å; L113-Y141 HydrophobicContact CD1-CD1 4.39Å; L113-Y141 HydrophobicContact CD1-CE1 3.86Å; L113-Y141 HydrophobicContact CD1-CE2 4.29Å; L113-Y141 HydrophobicContact CD2-CD1 4.14Å; L113-Y141 HydrophobicContact CD2-CD2 4.31Å; L113-Y141 HydrophobicContact CD2-CE1 4.43Å; L113-Y141 HydrophobicContact CD2-CG 4.06Å; L113-Y141 HydrophobicContact CG-CD1 4.27Å; L113-Y141 HydrophobicContact CG-CE1 4.18Å
114	L	96.5	Very high	93.6	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.8	-172.6	-56	174.2	0	0	0	111.4	I36 V51 F52 V54 P112 S116 V121	I36-L114 HydrophobicContact CD1-CD1 4.35Å; I36-L114 HydrophobicContact CD1-CD2 4.3Å; I36-L114 HydrophobicContact CG2-CD2 4.29Å; V51-L114 WeakPolarHBondContact CA-O 3.04Å; F52-L114 HydrophobicContact CB-CB 4.31Å; F52-L114 PolarHBondContact N-O 3.47Å; F52-L114 PolarHBondContact O-N 3.42Å; V54-L114 HydrophobicContact CG2-CD1 4.22Å; P112-L114 HydrophobicContact CB-CD2 4.05Å; P112-L114 HydrophobicContact CB-CG 4.23Å; P112-L114 HydrophobicContact CG-CD1 4.5Å; P112-L114 HydrophobicContact CG-CG 4.49Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 WeakPolarHBondContact CB-O 3.23Å; L114-V121 HydrophobicContact CD2-CG2 4.19Å
115	P	95.8	Very high	94.1	Very high	48 Å²	48	39.1 Å²	39.1	31%	0.312	27%	0.266	S	S	.	.	S	Bend	trans	-77.4	-25.6	173.5	28.3	-25.4	0	0	0	111.5	P120 L122	P115-P120 WeakPolarHBondContact CD-O 3.5Å; P115-P120 HydrophobicContact CG-CG 4.3Å; P115-L122 HydrophobicContact CB-CD1 3.95Å; P115-L122 HydrophobicContact CG-CD1 4.09Å; P115-L122 HydrophobicContact CG-CD2 4.44Å; P115-L122 HydrophobicContact CG-CG 4.24Å
116	S	93.8	Very high	94.4	Very high	48 Å²	48	38.1 Å²	38.1	34%	0.336	26%	0.257	S	S	.	.	S	Bend	trans	-155.1	164	177.9	67.6	0	0	0	0	109.1	L114 Q118 G119	L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 WeakPolarHBondContact CB-O 3.23Å; S116-Q118 PolarHBondContact O-N 3.01Å; S116-G119 PolarHBondContact O-N 3.01Å; S116-G119 WeakPolarHBondContact OG-CA 3.48Å; S116-G119 PolarHBondContact OG-N 3.34Å; S116-G119 VanDerWaalsContact OG-N 3.11Å
117	P	89	Confident	94.5	Very high	71 Å²	71	35.9 Å²	35.9	46%	0.461	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.4	-175.7	-27.7	36.6	0	0	0	116.1	F52	F52-P117 HydrophobicContact CZ-CG 4.49Å
118	Q	90.3	Very high	94.4	Very high	155 Å²	155	35.5 Å²	35.5	72%	0.724	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	9.3	175	-64.9	76.9	30.6	0	0	112.6	S116	S116-Q118 PolarHBondContact O-N 3.01Å
119	G	94.8	Very high	94.1	Very high	8 Å²	8	36 Å²	36	8%	0.082	24%	0.237	C	C	.	.	S	Bend	trans	-74.3	167.3	179.8	0	0	0	0	0	112.3	I36 S116	I36-G119 WeakPolarHBondContact CG2-O 3.35Å; S116-G119 PolarHBondContact O-N 3.01Å; S116-G119 WeakPolarHBondContact OG-CA 3.48Å; S116-G119 PolarHBondContact OG-N 3.34Å; S116-G119 VanDerWaalsContact OG-N 3.11Å
120	P	97.2	Very high	93.8	Very high	25 Å²	25	37 Å²	37	16%	0.162	24%	0.24	C	C	.	.			trans	-62.8	157.8	-178.9	27.6	-35.9	0	0	0	112.4	S37 P39 P115 L122	S37-P120 VanDerWaalsContact O-CA 3.23Å; S37-P120 WeakPolarHBondContact O-CA 3.18Å; S37-P120 WeakPolarHBondContact O-CB 3.32Å; P39-P120 HydrophobicContact CB-CB 4.07Å; P39-P120 HydrophobicContact CB-CG 4.48Å; P115-P120 WeakPolarHBondContact CD-O 3.5Å; P115-P120 HydrophobicContact CG-CG 4.3Å; P120-L122 HydrophobicContact CG-CD2 4.42Å; P120-L122 PolarHBondContact O-N 3.22Å; P120-L122 VanDerWaalsContact O-N 3.12Å
121	V	97	Very high	93.3	Very high	27 Å²	27	35.9 Å²	35.9	16%	0.164	22%	0.221	C	C	.	.			trans	-74.8	100.2	174.2	-172.1	0	0	0	0	109.6	I36 S37 P39 P112 L114 G123 V124 V144	I36-V121 HydrophobicContact CB-CG2 4.17Å; I36-V121 HydrophobicContact CG2-CG2 3.74Å; S37-V121 PolarHBondContact O-N 3.08Å; S37-V121 VanDerWaalsContact O-N 3.16Å; P39-V121 WeakPolarHBondContact CD-O 3.39Å; P39-V121 VanDerWaalsContact CG-O 3.32Å; P39-V121 WeakPolarHBondContact CG-O 3.4Å; P112-V121 HydrophobicContact CB-CG1 3.91Å; P112-V121 HydrophobicContact CB-CG2 4.45Å; L114-V121 HydrophobicContact CD2-CG2 4.19Å; V121-G123 WeakPolarHBondContact CG1-O 3.11Å; V121-V124 HydrophobicContact CG1-CG2 4.48Å; V121-V144 HydrophobicContact CG1-CG2 4.05Å; V121-V144 VanDerWaalsContact O-CB 3.29Å; V121-V144 WeakPolarHBondContact O-CB 3.35Å; V121-V144 WeakPolarHBondContact O-CG2 3.42Å
122	L	97.3	Very high	92.6	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	26%	0.257	C	S	.	.			trans	-72	-36.8	-179	-61.5	175.9	0	0	0	112.2	D43 P45 V51 I92 L113 P115 P120 V144	D43-L122 HydrophobicContact CB-CD2 4.23Å; D43-L122 WeakPolarHBondContact O-CD2 3.2Å; P45-L122 HydrophobicContact CB-CD1 4.2Å; P45-L122 HydrophobicContact CG-CD1 4.22Å; V51-L122 HydrophobicContact CG1-CD1 4.34Å; I92-L122 HydrophobicContact CD1-CB 4.36Å; I92-L122 WeakPolarHBondContact CD1-O 3.03Å; L113-L122 PolarHBondContact O-N 2.87Å; P115-L122 HydrophobicContact CB-CD1 3.95Å; P115-L122 HydrophobicContact CG-CD1 4.09Å; P115-L122 HydrophobicContact CG-CD2 4.44Å; P115-L122 HydrophobicContact CG-CG 4.24Å; P120-L122 HydrophobicContact CG-CD2 4.42Å; P120-L122 PolarHBondContact O-N 3.22Å; P120-L122 VanDerWaalsContact O-N 3.12Å; L122-V144 PolarHBondContact O-N 2.79Å
123	G	96.4	Very high	91.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.3	-173.5	0	0	0	0	0	112.7	L113 V121 A142	L113-G123 PolarHBondContact N-O 2.88Å; V121-G123 WeakPolarHBondContact CG1-O 3.11Å; G123-A142 CarbonylContact C-O 3.46Å; G123-A142 WeakPolarHBondContact CA-O 3.34Å
124	V	96.1	Very high	90.8	Very high	23 Å²	23	49.2 Å²	49.2	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.5	177	178.2	0	0	0	0	108.6	I18 G110 G111 V121 S126 Y141 A142 V144	I18-V124 HydrophobicContact CD1-CG2 3.84Å; I18-V124 HydrophobicContact CG1-CB 4.44Å; I18-V124 HydrophobicContact CG1-CG2 4.06Å; G110-V124 VanDerWaalsContact CA-CG1 3.47Å; G111-V124 WeakPolarHBondContact O-CA 3.47Å; V121-V124 HydrophobicContact CG1-CG2 4.48Å; V124-S126 PolarHBondContact O-N 2.87Å; V124-Y141 VanDerWaalsContact C-CD1 3.45Å; V124-Y141 CarbonylContact O-C 3.55Å; V124-Y141 WeakPolarHBondContact O-CA 3.49Å; V124-A142 PolarHBondContact N-O 2.87Å; V124-A142 PolarHBondContact O-N 3.46Å; V124-V144 HydrophobicContact CG2-CG2 3.86Å
125	V	95.2	Very high	89.8	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	124.1	-178.4	178.4	0	0	0	0	109.3	P104 D108 G110 G111 V139 Y141	P104-V125 HydrophobicContact CB-CG1 3.98Å; P104-V125 HydrophobicContact CB-CG2 4.29Å; P104-V125 HydrophobicContact CG-CG2 4.18Å; D108-V125 HydrophobicContact CB-CG1 4.49Å; D108-V125 VanDerWaalsContact O-CB 3.27Å; D108-V125 WeakPolarHBondContact O-CB 3.32Å; D108-V125 WeakPolarHBondContact O-CG2 3.29Å; G110-V125 PolarHBondContact N-O 3.33Å; G111-V125 WeakPolarHBondContact O-CG2 3.34Å; G111-V125 PolarHBondContact O-N 3.39Å; V125-V139 HydrophobicContact CG1-CG1 4.14Å; V125-Y141 HydrophobicContact CB-CD1 4.32Å; V125-Y141 HydrophobicContact CB-CE1 4.06Å; V125-Y141 HydrophobicContact CG2-CD1 3.91Å; V125-Y141 HydrophobicContact CG2-CE1 3.19Å; V125-Y141 VanDerWaalsContact N-CD1 3.31Å
126	S	94.2	Very high	89	Confident	8 Å²	8	56.4 Å²	56.4	6%	0.056	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-74.9	174.4	174.7	0	0	0	0	110.6	D17 S109 V124 E140	D17-S126 VanDerWaalsContact CB-OG 3.3Å; D17-S126 WeakPolarHBondContact CB-OG 3.35Å; D17-S126 WeakPolarHBondContact OD2-CB 3.47Å; D17-S126 PolarHBondContact OD2-OG 3Å; S109-S126 PolarHBondContact OG-O 2.9Å; V124-S126 PolarHBondContact O-N 2.87Å; S126-E140 WeakPolarHBondContact CB-O 3.38Å; S126-E140 PolarHBondContact N-O 3.42Å
127	H	90.7	Very high	88.6	Confident	58 Å²	58	57.9 Å²	57.9	27%	0.269	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	164.8	-173.8	65.4	-72.1	0	0	0	113	S14 E140	S14-H127 VanDerWaalsContact CB-CE1 3.41Å; S14-H127 WeakPolarHBondContact CB-CE1 3.34Å; S14-H127 PolarHBondContact O-CE1 2.74Å; H127-E140 VanDerWaalsContact CE1-CD 3.4Å; H127-E140 IonicContact CE1-OE2 3.37Å; H127-E140 PolarHBondContact CE1-OE2 2.87Å; H127-E140 PolarHBondContact N-O 3.05Å; H127-E140 IonicContact NE2-OE1 3.32Å; H127-E140 IonicContact NE2-OE2 3.91Å; H127-E140 PolarHBondContact NE2-OE2 2.82Å; H127-E140 PolarHBondContact O-N 2.78Å
128	G	90.1	Very high	88.6	Confident	49 Å²	49	54.6 Å²	54.6	51%	0.505	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.7	174.3	0	0	0	0	0	112.6	I138	G128-I138 CarbonylContact C-O 3.59Å; G128-I138 WeakPolarHBondContact CA-O 3.15Å
129	V	87.3	Confident	88.7	Confident	26 Å²	26	47.3 Å²	47.3	16%	0.158	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.5	177	-177	0	0	0	0	108.6	L131 I138 E140	V129-L131 HydrophobicContact CG1-CD2 3.66Å; V129-L131 HydrophobicContact CG1-CG 4.2Å; V129-I138 PolarHBondContact N-O 2.86Å; V129-I138 PolarHBondContact O-N 2.84Å; V129-E140 HydrophobicContact CG2-CG 4.28Å
130	T	86.7	Confident	88.7	Confident	108 Å²	108	47.1 Å²	47.1	66%	0.663	28%	0.283	S	S	*	.			trans	-102	123.8	171.3	-55.9	0	0	0	0	108.6
131	L	83.1	Confident	88.6	Confident	28 Å²	28	46 Å²	46	15%	0.147	28%	0.276	C	S	.	.			trans	-108.2	137	178.4	-61.6	-174.2	0	0	0	110.5	R84 H85 V129 N133 L134 I138	R84-L131 HydrophobicContact CB-CD1 4Å; H85-L131 HydrophobicContact CB-CD1 4.12Å; H85-L131 HydrophobicContact CB-CD2 3.84Å; V129-L131 HydrophobicContact CG1-CD2 3.66Å; V129-L131 HydrophobicContact CG1-CG 4.2Å; L131-N133 PolarHBondContact O-N 2.64Å; L131-N133 VanDerWaalsContact O-N 3.07Å; L131-L134 HydrophobicContact CB-CB 4.33Å; L131-L134 HydrophobicContact CB-CD1 4.2Å; L131-L134 HydrophobicContact CB-CG 4.33Å; L131-L134 HydrophobicContact CD1-CD1 3.8Å; L131-L134 HydrophobicContact CG-CD1 4.4Å; L131-L134 PolarHBondContact O-N 2.95Å; L131-L134 VanDerWaalsContact O-N 3.11Å; L131-I138 HydrophobicContact CD1-CD1 3.7Å; L131-I138 HydrophobicContact CG-CD1 4.28Å
132	P	80.3	Confident	88.6	Confident	131 Å²	131	44.7 Å²	44.7	85%	0.851	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.2	-177	-27.5	34	0	0	0	115.4
133	N	79.9	Confident	88.5	Confident	157 Å²	157	44.3 Å²	44.3	84%	0.84	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	13.1	-175.3	-63.3	-29.1	0	0	0	113.3	L131	L131-N133 PolarHBondContact O-N 2.64Å; L131-N133 VanDerWaalsContact O-N 3.07Å
134	L	76.2	Confident	88.5	Confident	38 Å²	38	44.5 Å²	44.5	20%	0.199	27%	0.267	C	S	.	.			trans	-124.5	133.9	174.4	-67.5	178.5	0	0	0	109.6	M81 L131 D136 I138	M81-L134 HydrophobicContact CE-CD1 4.05Å; L131-L134 HydrophobicContact CB-CB 4.33Å; L131-L134 HydrophobicContact CB-CD1 4.2Å; L131-L134 HydrophobicContact CB-CG 4.33Å; L131-L134 HydrophobicContact CD1-CD1 3.8Å; L131-L134 HydrophobicContact CG-CD1 4.4Å; L131-L134 PolarHBondContact O-N 2.95Å; L131-L134 VanDerWaalsContact O-N 3.11Å; L134-D136 PolarHBondContact O-N 2.93Å; L134-I138 HydrophobicContact CD1-CD1 3.51Å; L134-I138 HydrophobicContact CD1-CG1 4.04Å
135	P	74.5	Confident	88.5	Confident	125 Å²	125	43.8 Å²	43.8	81%	0.812	26%	0.263	S	S	*	.	S	Bend	trans	-68.8	-25.3	178.5	28.7	-34.4	0	0	0	112.3
136	D	79	Confident	88.4	Confident	83 Å²	83	48.2 Å²	48.2	44%	0.444	28%	0.279	S	S	.	.	S	Bend	trans	-111.4	151.5	-171	-60	-41	0	0	0	112.4	L134	L134-D136 PolarHBondContact O-N 2.93Å
137	I	86	Confident	88.4	Confident	79 Å²	79	48.7 Å²	48.7	41%	0.405	28%	0.281	S	S	.	.			trans	-65.4	136	169	-63.8	169.6	0	0	0	109.1	L103 V139	L103-I137 HydrophobicContact CD1-CB 3.84Å; L103-I137 HydrophobicContact CD1-CG2 4.42Å; L103-I137 WeakPolarHBondContact CD1-O 3.5Å; I137-V139 HydrophobicContact CG2-CG2 4.27Å
138	I	89.2	Confident	88.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.5	164.9	-59.9	176.7	0	0	0	107.6	M81 C93 V94 G128 V129 L131 L134	M81-I138 HydrophobicContact CE-CD1 3.63Å; M81-I138 HydrophobicContact CE-CG1 4.19Å; M81-I138 HydrophobicContact SD-CD1 3.9Å; M81-I138 HydrophobicContact SD-CG1 3.82Å; C93-I138 HydrophobicContact CB-CG2 3.72Å; V94-I138 CarbonylContact O-C 3.56Å; V94-I138 WeakPolarHBondContact O-CA 3.36Å; G128-I138 CarbonylContact C-O 3.59Å; G128-I138 WeakPolarHBondContact CA-O 3.15Å; V129-I138 PolarHBondContact N-O 2.86Å; V129-I138 PolarHBondContact O-N 2.84Å; L131-I138 HydrophobicContact CD1-CD1 3.7Å; L131-I138 HydrophobicContact CG-CD1 4.28Å; L134-I138 HydrophobicContact CD1-CD1 3.51Å; L134-I138 HydrophobicContact CD1-CG1 4.04Å
139	V	92.7	Very high	88.8	Confident	3 Å²	3	50 Å²	50	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.9	168.6	-177.4	0	0	0	0	109.8	V94 L103 P104 V125 I137 Y141	V94-V139 PolarHBondContact N-O 2.87Å; V94-V139 PolarHBondContact O-N 3.31Å; L103-V139 HydrophobicContact CD2-CG2 4.23Å; P104-V139 HydrophobicContact CB-CG1 4.09Å; P104-V139 HydrophobicContact CB-CG2 4.23Å; P104-V139 HydrophobicContact CG-CB 4.24Å; P104-V139 HydrophobicContact CG-CG1 3.91Å; P104-V139 HydrophobicContact CG-CG2 4.13Å; V125-V139 HydrophobicContact CG1-CG1 4.14Å; I137-V139 HydrophobicContact CG2-CG2 4.27Å; V139-Y141 HydrophobicContact CB-CE2 4.02Å; V139-Y141 HydrophobicContact CG1-CD2 4.11Å; V139-Y141 HydrophobicContact CG1-CE2 3.65Å
140	E	94.2	Very high	89.1	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.2	171.5	-72.7	-171.3	-163.2	0	0	110.4	S14 H85 P91 S126 H127 V129	S14-E140 WeakPolarHBondContact CB-OE2 3.32Å; S14-E140 PolarHBondContact OG-OE2 3.38Å; H85-E140 IonicContact CD2-OE1 3.65Å; H85-E140 IonicContact CE1-OE1 3.51Å; H85-E140 IonicContact NE2-OE1 2.64Å; H85-E140 PolarHBondContact NE2-OE1 3.12Å; P91-E140 HydrophobicContact CB-CB 4.07Å; P91-E140 HydrophobicContact CB-CG 4.17Å; P91-E140 HydrophobicContact CG-CB 4.48Å; P91-E140 HydrophobicContact CG-CG 4.04Å; P91-E140 WeakPolarHBondContact CG-OE2 3.38Å; S126-E140 WeakPolarHBondContact CB-O 3.38Å; S126-E140 PolarHBondContact N-O 3.42Å; H127-E140 VanDerWaalsContact CE1-CD 3.4Å; H127-E140 IonicContact CE1-OE2 3.37Å; H127-E140 PolarHBondContact CE1-OE2 2.87Å; H127-E140 PolarHBondContact N-O 3.05Å; H127-E140 IonicContact NE2-OE1 3.32Å; H127-E140 IonicContact NE2-OE2 3.91Å; H127-E140 PolarHBondContact NE2-OE2 2.82Å; H127-E140 PolarHBondContact O-N 2.78Å; V129-E140 HydrophobicContact CG2-CG 4.28Å
141	Y	95.4	Very high	89.4	Confident	1 Å²	1	48 Å²	48	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.7	171.1	-69	-111.8	0	0	0	109	I53 P91 I92 V94 P104 L113 V124 V125 V139 S143	I53-Y141 WeakPolarHBondContact CG2-OH 3.21Å; P91-Y141 CarbonylContact C-O 3.47Å; P91-Y141 WeakPolarHBondContact CA-O 3.47Å; P91-Y141 WeakPolarHBondContact CB-O 3.41Å; I92-Y141 PolarHBondContact N-O 2.83Å; I92-Y141 PolarHBondContact O-N 2.64Å; V94-Y141 HydrophobicContact CB-CD2 4.13Å; V94-Y141 HydrophobicContact CB-CE2 3.72Å; V94-Y141 HydrophobicContact CG1-CE2 4.33Å; V94-Y141 HydrophobicContact CG2-CD2 3.48Å; V94-Y141 VanDerWaalsContact CG2-CD2 3.48Å; V94-Y141 HydrophobicContact CG2-CE2 3.44Å; V94-Y141 VanDerWaalsContact CG2-CE2 3.44Å; V94-Y141 HydrophobicContact CG2-CG 4.47Å; P104-Y141 HydrophobicContact CG-CE2 4.39Å; P104-Y141 WeakPolarHBondContact CG-OH 3.5Å; L113-Y141 HydrophobicContact CB-CD1 3.58Å; L113-Y141 HydrophobicContact CB-CE1 3.6Å; L113-Y141 HydrophobicContact CB-CG 4.33Å; L113-Y141 HydrophobicContact CD1-CD1 4.39Å; L113-Y141 HydrophobicContact CD1-CE1 3.86Å; L113-Y141 HydrophobicContact CD1-CE2 4.29Å; L113-Y141 HydrophobicContact CD2-CD1 4.14Å; L113-Y141 HydrophobicContact CD2-CD2 4.31Å; L113-Y141 HydrophobicContact CD2-CE1 4.43Å; L113-Y141 HydrophobicContact CD2-CG 4.06Å; L113-Y141 HydrophobicContact CG-CD1 4.27Å; L113-Y141 HydrophobicContact CG-CE1 4.18Å; V124-Y141 VanDerWaalsContact C-CD1 3.45Å; V124-Y141 CarbonylContact O-C 3.55Å; V124-Y141 WeakPolarHBondContact O-CA 3.49Å; V125-Y141 HydrophobicContact CB-CD1 4.32Å; V125-Y141 HydrophobicContact CB-CE1 4.06Å; V125-Y141 HydrophobicContact CG2-CD1 3.91Å; V125-Y141 HydrophobicContact CG2-CE1 3.19Å; V125-Y141 VanDerWaalsContact N-CD1 3.31Å; V139-Y141 HydrophobicContact CB-CE2 4.02Å; V139-Y141 HydrophobicContact CG1-CD2 4.11Å; V139-Y141 HydrophobicContact CG1-CE2 3.65Å; Y141-S143 PolarHBondContact O-N 3.5Å
142	A	95.5	Very high	89.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.8	166.8	0	0	0	0	0	108.4	D17 I18 G123 V124 V144 M147	D17-A142 VanDerWaalsContact O-CB 3.32Å; D17-A142 WeakPolarHBondContact O-CB 3.33Å; I18-A142 HydrophobicContact CB-CB 4.31Å; G123-A142 CarbonylContact C-O 3.46Å; G123-A142 WeakPolarHBondContact CA-O 3.34Å; V124-A142 PolarHBondContact N-O 2.87Å; V124-A142 PolarHBondContact O-N 3.46Å; A142-V144 PolarHBondContact O-N 2.95Å; A142-M147 HydrophobicContact CB-SD 4.26Å
143	S	95.8	Very high	90.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.5	-176.1	177.9	0	0	0	0	110.5	Y141 A145 R146 M147	Y141-S143 PolarHBondContact O-N 3.5Å; S143-A145 VanDerWaalsContact C-N 3.33Å; S143-A145 PolarHBondContact O-N 2.9Å; S143-R146 PolarHBondContact O-N 3.14Å; S143-R146 WeakPolarHBondContact OG-CG 3.4Å; S143-R146 PolarHBondContact OG-N 2.98Å; S143-M147 WeakPolarHBondContact O-CG 3.49Å; S143-M147 PolarHBondContact O-N 3.32Å; S143-M147 VanDerWaalsContact O-N 3.08Å
144	V	96.2	Very high	91.1	Very high	4 Å²	4	48 Å²	48	2%	0.024	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-41.6	-178.9	178.2	0	0	0	0	110.6	I18 L38 P39 V121 L122 V124 A142 R146 M147 L148	I18-V144 HydrophobicContact CD1-CG2 4.05Å; L38-V144 HydrophobicContact CD2-CG1 4.08Å; P39-V144 HydrophobicContact CG-CB 3.91Å; P39-V144 HydrophobicContact CG-CG1 3.71Å; V121-V144 HydrophobicContact CG1-CG2 4.05Å; V121-V144 VanDerWaalsContact O-CB 3.29Å; V121-V144 WeakPolarHBondContact O-CB 3.35Å; V121-V144 WeakPolarHBondContact O-CG2 3.42Å; L122-V144 PolarHBondContact O-N 2.79Å; V124-V144 HydrophobicContact CG2-CG2 3.86Å; A142-V144 PolarHBondContact O-N 2.95Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 PolarHBondContact O-N 3.48Å; V144-M147 CarbonylContact O-C 3.56Å; V144-M147 WeakPolarHBondContact O-CA 3.43Å; V144-M147 PolarHBondContact O-N 2.97Å; V144-L148 WeakPolarHBondContact O-CG 3.21Å; V144-L148 PolarHBondContact O-N 2.95Å
145	A	96.2	Very high	91.6	Very high	7 Å²	7	53.1 Å²	53.1	6%	0.058	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57.7	-39.4	176.8	0	0	0	0	0	112.7	P39 Q40 I44 S143 M147 L148	P39-A145 HydrophobicContact CB-CB 4.22Å; P39-A145 HydrophobicContact CG-CB 3.99Å; Q40-A145 WeakPolarHBondContact O-CB 3.41Å; I44-A145 HydrophobicContact CD1-CB 3.49Å; I44-A145 VanDerWaalsContact CD1-CB 3.49Å; I44-A145 HydrophobicContact CG1-CB 4.48Å; S143-A145 VanDerWaalsContact C-N 3.33Å; S143-A145 PolarHBondContact O-N 2.9Å; A145-M147 VanDerWaalsContact C-N 3.31Å; A145-L148 WeakPolarHBondContact O-CG 3.47Å
146	R	94.4	Very high	92.5	Very high	101 Å²	101	49.5 Å²	49.5	38%	0.381	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-76.1	-19.2	176	-64.2	175.5	175.4	150.1	-5.9	113.2	I44 N90 P91 S143 V144	I44-R146 HydrophobicContact CD1-CG 3.65Å; N90-R146 VanDerWaalsContact C-NH1 3.32Å; N90-R146 PolarHBondContact ND2-NE 2.9Å; N90-R146 PolarHBondContact ND2-NH1 2.92Å; N90-R146 PolarHBondContact ND2-NH2 3.48Å; N90-R146 WeakPolarHBondContact O-CD 3.41Å; N90-R146 PolarHBondContact O-NH1 2.93Å; N90-R146 PolarHBondContact OD1-NH1 2.03Å; N90-R146 PolarHBondContact OD1-NH2 3.35Å; P91-R146 PolarHBondContact O-NH1 2.89Å; S143-R146 PolarHBondContact O-N 3.14Å; S143-R146 WeakPolarHBondContact OG-CG 3.4Å; S143-R146 PolarHBondContact OG-N 2.98Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 PolarHBondContact O-N 3.48Å
147	M	93.7	Very high	93.2	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.094	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-104.5	13.4	179.1	-61.7	-168	75.4	0	0	112.9	F16 I18 A142 S143 V144 A145 D149 F150 V151	F16-M147 HydrophobicContact CB-CE 4.06Å; F16-M147 HydrophobicContact CD1-CE 4.02Å; F16-M147 HydrophobicContact CD1-SD 4.35Å; I18-M147 HydrophobicContact CB-CE 4.41Å; I18-M147 HydrophobicContact CB-SD 4.1Å; I18-M147 HydrophobicContact CG2-CE 3.22Å; I18-M147 HydrophobicContact CG2-SD 3.39Å; I18-M147 WeakPolarHBondContact CG2-SD 3.47Å; A142-M147 HydrophobicContact CB-SD 4.26Å; S143-M147 WeakPolarHBondContact O-CG 3.49Å; S143-M147 PolarHBondContact O-N 3.32Å; S143-M147 VanDerWaalsContact O-N 3.08Å; V144-M147 CarbonylContact O-C 3.56Å; V144-M147 WeakPolarHBondContact O-CA 3.43Å; V144-M147 PolarHBondContact O-N 2.97Å; A145-M147 VanDerWaalsContact C-N 3.31Å; M147-D149 VanDerWaalsContact C-N 3.25Å; M147-D149 PolarHBondContact O-N 3.34Å; M147-F150 HydrophobicContact CE-CD1 4.26Å; M147-F150 WeakPolarHBondContact O-CB 3.48Å; M147-F150 PolarHBondContact O-N 3.34Å; M147-F150 VanDerWaalsContact O-N 3.1Å; M147-V151 WeakPolarHBondContact O-CG2 3.02Å; M147-V151 PolarHBondContact O-N 3.07Å
148	L	94.9	Very high	93.6	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-35.6	-177.3	-79	173.8	0	0	0	113	L38 P39 A41 V144 A145 V151 R152	L38-L148 HydrophobicContact CB-CD2 4.17Å; L38-L148 HydrophobicContact CD1-CD2 4.35Å; P39-L148 HydrophobicContact CG-CD2 4.46Å; P39-L148 WeakPolarHBondContact O-CD1 3.14Å; A41-L148 HydrophobicContact CB-CD1 4.09Å; V144-L148 WeakPolarHBondContact O-CG 3.21Å; V144-L148 PolarHBondContact O-N 2.95Å; A145-L148 WeakPolarHBondContact O-CG 3.47Å; L148-V151 PolarHBondContact O-N 3.38Å; L148-R152 VanDerWaalsContact O-CB 3.28Å; L148-R152 WeakPolarHBondContact O-CB 3.4Å; L148-R152 VanDerWaalsContact O-CG 3.23Å; L148-R152 WeakPolarHBondContact O-CG 3.04Å; L148-R152 PolarHBondContact O-N 3.07Å
149	D	94	Very high	93.9	Very high	130 Å²	130	48.6 Å²	48.6	70%	0.695	24%	0.242	S	C	*	.	H	α-helix	trans	-64.7	-42.5	177.8	-70	-14.5	0	0	0	111.5	M147 S153	M147-D149 VanDerWaalsContact C-N 3.25Å; M147-D149 PolarHBondContact O-N 3.34Å; D149-S153 VanDerWaalsContact O-CB 3.24Å; D149-S153 WeakPolarHBondContact O-CB 3.15Å; D149-S153 PolarHBondContact O-N 3.11Å; D149-S153 VanDerWaalsContact O-N 3.1Å; D149-S153 PolarHBondContact O-OG 3.39Å
150	F	93.3	Very high	93.9	Very high	81 Å²	81	51.4 Å²	51.4	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-48.3	172.4	168.3	-99.9	0	0	0	110.7	I18 I20 M147 S153 N154	I18-F150 HydrophobicContact CG2-CD1 3.89Å; I18-F150 HydrophobicContact CG2-CE1 3.77Å; I20-F150 HydrophobicContact CD1-CE1 4.12Å; I20-F150 HydrophobicContact CG1-CE1 4.04Å; M147-F150 HydrophobicContact CE-CD1 4.26Å; M147-F150 WeakPolarHBondContact O-CB 3.48Å; M147-F150 PolarHBondContact O-N 3.34Å; M147-F150 VanDerWaalsContact O-N 3.1Å; F150-S153 PolarHBondContact O-N 3.2Å; F150-N154 PolarHBondContact O-N 3.17Å; F150-N154 PolarHBondContact O-ND2 2.73Å
151	V	93.8	Very high	93.9	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-50.5	-178.4	174.6	0	0	0	0	111.1	I18 I20 L38 M147 L148 S153 N154 I155	I18-V151 HydrophobicContact CD1-CG2 4.36Å; I20-V151 HydrophobicContact CD1-CB 4.37Å; I20-V151 HydrophobicContact CD1-CG1 4.32Å; I20-V151 WeakPolarHBondContact CD1-O 3.45Å; L38-V151 HydrophobicContact CD1-CG1 3.76Å; L38-V151 HydrophobicContact CD2-CG1 3.98Å; M147-V151 WeakPolarHBondContact O-CG2 3.02Å; M147-V151 PolarHBondContact O-N 3.07Å; L148-V151 PolarHBondContact O-N 3.38Å; V151-S153 VanDerWaalsContact C-N 3.28Å; V151-S153 PolarHBondContact O-N 2.82Å; V151-N154 PolarHBondContact O-N 3.11Å; V151-I155 HydrophobicContact CG1-CG2 4.38Å; V151-I155 WeakPolarHBondContact O-CG2 3.02Å; V151-I155 PolarHBondContact O-N 3.24Å
152	R	93.1	Very high	93.8	Very high	136 Å²	136	58.5 Å²	58.5	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-27.8	-177.2	-71.3	173.7	178.5	178.3	-0.4	113.3	L148 N154	L148-R152 VanDerWaalsContact O-CB 3.28Å; L148-R152 WeakPolarHBondContact O-CB 3.4Å; L148-R152 VanDerWaalsContact O-CG 3.23Å; L148-R152 WeakPolarHBondContact O-CG 3.04Å; L148-R152 PolarHBondContact O-N 3.07Å; R152-N154 VanDerWaalsContact C-N 3.29Å
153	S	94.3	Very high	93.7	Very high	96 Å²	96	63 Å²	63	67%	0.671	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.2	178.3	-57.3	0	0	0	0	113.7	D149 F150 V151	D149-S153 VanDerWaalsContact O-CB 3.24Å; D149-S153 WeakPolarHBondContact O-CB 3.15Å; D149-S153 PolarHBondContact O-N 3.11Å; D149-S153 VanDerWaalsContact O-N 3.1Å; D149-S153 PolarHBondContact O-OG 3.39Å; F150-S153 PolarHBondContact O-N 3.2Å; V151-S153 VanDerWaalsContact C-N 3.28Å; V151-S153 PolarHBondContact O-N 2.82Å
154	N	91.3	Very high	93.5	Very high	83 Å²	83	68.2 Å²	68.2	44%	0.444	34%	0.339	S	S	.	.			trans	-130.4	14.7	-173.1	-70	-88.5	0	0	0	113.2	I20 F150 V151 R152	I20-N154 HydrophobicContact CD1-CB 3.47Å; I20-N154 VanDerWaalsContact CD1-CB 3.47Å; F150-N154 PolarHBondContact O-N 3.17Å; F150-N154 PolarHBondContact O-ND2 2.73Å; V151-N154 PolarHBondContact O-N 3.11Å; R152-N154 VanDerWaalsContact C-N 3.29Å
155	I	86.8	Confident	93.2	Very high	145 Å²	145	74 Å²	74	74%	0.744	37%	0.368	S	S	*	.			trans	-108.1	0	170.7	59.1	174.2	0	0	0	111.7	I20 V151	I20-I155 HydrophobicContact CD1-CG2 4.12Å; I20-I155 HydrophobicContact CG2-CG2 4.19Å; V151-I155 HydrophobicContact CG1-CG2 4.38Å; V151-I155 WeakPolarHBondContact O-CG2 3.02Å; V151-I155 PolarHBondContact O-N 3.24Å

Retrieved 155 of 155 residues in 170.1 ms (Link to these results)

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