A0A5K4FDN7_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDN7, 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	35.1	Very low	47.5	Very low	246 Å²	246	160.6 Å²	160.6	100%	1.212	81%	0.811	S	S	*	*				0	94.8	0	-64.8	176.5	-163.8	0	0	107.6	A3	M1-A3 PolarHBondContact O-N 2.62Å
2	S	36.9	Very low	49.5	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	75%	0.747	S	S	*	*			trans	-89.6	102.8	178.3	175.6	0	0	0	0	107.6	R4	S2-R4 VanDerWaalsContact C-N 3.29Å; S2-R4 PolarHBondContact O-N 3.23Å
3	A	40	Very low	51.8	Low	93 Å²	93	145.3 Å²	145.3	77%	0.769	74%	0.736	S	S	*	*			trans	-62.3	101.4	160.3	0	0	0	0	0	105.6	M1 Q5	M1-A3 PolarHBondContact O-N 2.62Å; A3-Q5 PolarHBondContact O-N 2.96Å
4	R	42	Very low	54.1	Low	223 Å²	223	135.1 Å²	135.1	84%	0.842	69%	0.685	S	S	*	*			trans	-54.5	98.6	164.1	-89.7	-177	172.5	-177.8	-1.8	105.6	S2 R6	S2-R4 VanDerWaalsContact C-N 3.29Å; S2-R4 PolarHBondContact O-N 3.23Å; R4-R6 PolarHBondContact O-N 3.48Å
5	Q	39.6	Very low	56.4	Low	187 Å²	187	126.1 Å²	126.1	87%	0.874	64%	0.64	S	S	*	*			trans	-58.1	95	171.3	-140.3	172.4	-3.7	0	0	104.4	A3 R7	A3-Q5 PolarHBondContact O-N 2.96Å; Q5-R7 PolarHBondContact O-N 3.24Å
6	R	50	Low	58.8	Low	215 Å²	215	125.5 Å²	125.5	81%	0.811	63%	0.631	S	S	*	*			trans	-67	92	179.6	-73.3	-175.4	-179.7	178.2	-0.5	105.3	R4	R4-R6 PolarHBondContact O-N 3.48Å
7	R	47.3	Very low	60.9	Low	224 Å²	224	122.9 Å²	122.9	85%	0.845	62%	0.62	S	S	*	*			trans	-50.8	129.8	164.1	-77.1	-173.8	171.8	-171.9	-2.5	106.2	Q5 I9	Q5-R7 PolarHBondContact O-N 3.24Å; R7-I9 PolarHBondContact O-N 3.32Å
8	P	52.5	Low	62.8	Low	125 Å²	125	117.6 Å²	117.6	81%	0.812	59%	0.593	S	S	*	*			trans	-53.4	120.9	174.5	-20.2	29.9	0	0	0	107.7	A10	P8-A10 PolarHBondContact O-N 2.77Å; P8-A10 VanDerWaalsContact O-N 3.12Å
9	I	55	Low	64.5	Low	121 Å²	121	115.7 Å²	115.7	62%	0.621	60%	0.598	S	S	*	*			trans	-65	114.7	171.8	-66.3	174.7	0	0	0	105.2	R7 Q11 T12	R7-I9 PolarHBondContact O-N 3.32Å; I9-Q11 VanDerWaalsContact CG2-C 3.5Å; I9-Q11 WeakPolarHBondContact CG2-O 3.33Å; I9-Q11 PolarHBondContact O-N 3.04Å; I9-T12 HydrophobicContact CG2-CG2 4.25Å
10	A	59.8	Low	66	Low	89 Å²	89	113.1 Å²	113.1	74%	0.736	58%	0.584	S	S	*	*	S	Bend	trans	-65.5	-30	-177.2	0	0	0	0	0	111.9	P8	P8-A10 PolarHBondContact O-N 2.77Å; P8-A10 VanDerWaalsContact O-N 3.12Å
11	Q	64.1	Low	67.5	Low	130 Å²	130	113.6 Å²	113.6	61%	0.607	59%	0.592	S	S	*	*	S	Bend	trans	-149.9	131.3	177.7	-68.5	-178.9	-15.3	0	0	110.2	I9 A86	I9-Q11 VanDerWaalsContact CG2-C 3.5Å; I9-Q11 WeakPolarHBondContact CG2-O 3.33Å; I9-Q11 PolarHBondContact O-N 3.04Å; Q11-A86 HydrophobicContact CG-CB 4.31Å
12	T	72.2	Confident	70.3	Confident	7 Å²	7	109.6 Å²	109.6	4%	0.043	57%	0.572	C	S	.	*	B	Isolated β-bridge	trans	-86.6	141.8	175.1	56.8	0	0	0	0	111.2	I9 N88 H127 V129 E140	I9-T12 HydrophobicContact CG2-CG2 4.25Å; T12-N88 WeakPolarHBondContact O-CA 3.42Å; T12-N88 WeakPolarHBondContact O-CB 3.42Å; T12-N88 PolarHBondContact O-N 3.46Å; T12-H127 WeakPolarHBondContact CG2-CE1 3.3Å; T12-H127 VanDerWaalsContact CG2-NE2 3.33Å; T12-H127 WeakPolarHBondContact CG2-NE2 3.48Å; T12-V129 HydrophobicContact CG2-CG2 4.22Å; T12-E140 WeakPolarHBondContact CB-OE2 3.37Å; T12-E140 PolarHBondContact OG1-OE1 2.86Å; T12-E140 PolarHBondContact OG1-OE2 2.89Å
13	L	78.6	Confident	73.1	Confident	115 Å²	115	110 Å²	110	60%	0.602	56%	0.564	S	S	*	*			trans	-97.8	13.8	176.3	-66.6	-179	0	0	0	113.4	G15 F16 N88	L13-G15 PolarHBondContact O-N 3.48Å; L13-G15 VanDerWaalsContact O-N 3.15Å; L13-F16 PolarHBondContact O-N 2.97Å; L13-F16 VanDerWaalsContact O-N 3.11Å; L13-N88 HydrophobicContact CD2-CB 3.85Å; L13-N88 VanDerWaalsContact CD2-ND2 3.25Å; L13-N88 WeakPolarHBondContact CD2-ND2 3.28Å
14	S	84	Confident	75.8	Confident	2 Å²	2	110.8 Å²	110.8	1%	0.014	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-65.6	-22.1	-168.3	-48.1	0	0	0	0	115.2	F16 D17 S126 H127 E140 A142	S14-F16 PolarHBondContact O-N 2.94Å; S14-F16 VanDerWaalsContact O-N 3.11Å; S14-D17 PolarHBondContact O-N 3.11Å; S14-D17 VanDerWaalsContact O-N 3.16Å; S14-S126 WeakPolarHBondContact CB-OG 3.46Å; S14-S126 PolarHBondContact OG-OG 3.22Å; S14-H127 PolarHBondContact OG-CE1 3.23Å; S14-H127 PolarHBondContact OG-ND1 2.99Å; S14-E140 WeakPolarHBondContact CB-OE2 3.04Å; S14-E140 PolarHBondContact OG-OE2 3.13Å; S14-A142 VanDerWaalsContact O-CA 3.32Å; S14-A142 WeakPolarHBondContact O-CA 3.06Å; S14-A142 VanDerWaalsContact O-CB 3.28Å; S14-A142 WeakPolarHBondContact O-CB 3.39Å
15	G	89.6	Confident	78.4	Confident	1 Å²	1	108 Å²	108	1%	0.01	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-62	-16.9	175.8	0	0	0	0	0	113.3	L13 N88	L13-G15 PolarHBondContact O-N 3.48Å; L13-G15 VanDerWaalsContact O-N 3.15Å; G15-N88 WeakPolarHBondContact CA-O 3.17Å; G15-N88 PolarHBondContact N-O 2.96Å
16	F	93.8	Very high	80.9	Confident	116 Å²	116	108.1 Å²	108.1	51%	0.509	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-113.5	7.9	177.9	-55	-62.4	0	0	0	113.9	L13 S14 I18 M147	L13-F16 PolarHBondContact O-N 2.97Å; L13-F16 VanDerWaalsContact O-N 3.11Å; S14-F16 PolarHBondContact O-N 2.94Å; S14-F16 VanDerWaalsContact O-N 3.11Å; F16-I18 VanDerWaalsContact C-N 3.32Å; F16-I18 PolarHBondContact O-N 3.02Å; F16-M147 HydrophobicContact CB-CE 4.43Å; F16-M147 HydrophobicContact CD1-CE 4.17Å
17	D	94.7	Very high	82.9	Confident	82 Å²	82	101.1 Å²	101.1	44%	0.439	55%	0.551	S	S	.	*			trans	-83.1	75.5	-175.7	-169.6	15.8	0	0	0	111.1	S14 S126 A142	S14-D17 PolarHBondContact O-N 3.11Å; S14-D17 VanDerWaalsContact O-N 3.16Å; D17-S126 WeakPolarHBondContact CB-OG 3.39Å; D17-S126 WeakPolarHBondContact OD2-CA 3.38Å; D17-S126 WeakPolarHBondContact OD2-CB 3.37Å; D17-S126 PolarHBondContact OD2-OG 3.05Å; D17-A142 WeakPolarHBondContact O-CB 3.42Å
18	I	94.7	Very high	85.1	Confident	27 Å²	27	95.1 Å²	95.1	14%	0.138	54%	0.536	C	S	.	.			trans	-135.3	146.5	179.4	-162.4	165.3	0	0	0	110.3	F16 V124 A142 V144 M147 F150 V151	F16-I18 VanDerWaalsContact C-N 3.32Å; F16-I18 PolarHBondContact O-N 3.02Å; I18-V124 HydrophobicContact CG1-CG2 4.48Å; I18-A142 HydrophobicContact CB-CB 4.49Å; I18-V144 HydrophobicContact CD1-CG2 4.44Å; I18-M147 HydrophobicContact CB-SD 3.88Å; I18-M147 HydrophobicContact CD1-CB 4.29Å; I18-M147 HydrophobicContact CG2-CE 3.33Å; I18-M147 HydrophobicContact CG2-SD 3.29Å; I18-M147 WeakPolarHBondContact CG2-SD 3.45Å; I18-F150 HydrophobicContact CG2-CD1 3.64Å; I18-F150 HydrophobicContact CG2-CE1 3.55Å; I18-F150 HydrophobicContact CG2-CZ 4.47Å; I18-V151 HydrophobicContact CD1-CG2 3.6Å
19	A	95.4	Very high	87	Confident	82 Å²	82	93.7 Å²	93.7	68%	0.678	52%	0.521	S	S	*	.			trans	-141.2	152.1	173	0	0	0	0	0	110.2
20	I	95.8	Very high	88.5	Confident	63 Å²	63	96 Å²	96	32%	0.323	53%	0.53	S	S	.	.			trans	-111.4	134.3	172.5	-56.4	-61.3	0	0	0	108.2	F150 V151 N154 I155	I20-F150 HydrophobicContact CG1-CE1 4.06Å; I20-V151 HydrophobicContact CD1-CG1 4.23Å; I20-V151 HydrophobicContact CD1-CG2 4.4Å; I20-N154 HydrophobicContact CG1-CB 4.18Å; I20-I155 HydrophobicContact CG2-CG2 4.37Å
21	V	95.5	Very high	89.7	Confident	123 Å²	123	96.2 Å²	96.2	75%	0.745	53%	0.526	S	S	*	.			trans	-115.1	117	176	179.2	0	0	0	0	108.4
22	M	94.8	Very high	90.8	Very high	163 Å²	163	94.5 Å²	94.5	80%	0.803	54%	0.543	S	S	*	.			trans	-89.1	125	171.8	-63.3	-178.9	77	0	0	109.4
23	L	95.5	Very high	91.7	Very high	121 Å²	121	98 Å²	98	63%	0.634	56%	0.56	S	S	*	*			trans	-76.1	140.7	176.9	-59.5	178	0	0	0	110.1	Q25 V27	L23-Q25 WeakPolarHBondContact CB-O 3.4Å; L23-Q25 PolarHBondContact O-N 3.06Å; L23-V27 HydrophobicContact CD1-CG2 3.33Å
24	A	96.8	Very high	92.3	Very high	110 Å²	110	103.5 Å²	103.5	91%	0.909	57%	0.573	S	S	*	*	S	Bend	trans	-66	-20.4	177.5	0	0	0	0	0	113.2
25	Q	95.9	Very high	92.7	Very high	164 Å²	164	109 Å²	109	77%	0.766	61%	0.606	S	S	*	*	S	Bend	trans	-139.6	150.9	179	-61.9	-178	23.4	0	0	110.2	L23	L23-Q25 WeakPolarHBondContact CB-O 3.4Å; L23-Q25 PolarHBondContact O-N 3.06Å
26	M	93	Very high	93	Very high	191 Å²	191	112 Å²	112	94%	0.941	62%	0.622	S	S	*	*			trans	-66.6	144.6	175.5	-65.7	-69.1	-101.5	0	0	110.9
27	V	92.6	Very high	93.1	Very high	67 Å²	67	109.8 Å²	109.8	41%	0.406	62%	0.62	S	S	.	*			trans	-94.4	135.5	178.8	176.2	0	0	0	0	110.1	L23 L29 I33	L23-V27 HydrophobicContact CD1-CG2 3.33Å; V27-L29 HydrophobicContact CG1-CD2 4.41Å; V27-L29 PolarHBondContact O-N 2.78Å; V27-I33 HydrophobicContact CG1-CD1 3.3Å; V27-I33 HydrophobicContact CG1-CG2 4.14Å
28	N	92.3	Very high	93.2	Very high	98 Å²	98	108.8 Å²	108.8	52%	0.524	62%	0.615	S	S	.	*			trans	-75.1	112.6	172.1	-174.7	-5	0	0	0	110.7	Q30	N28-Q30 VanDerWaalsContact C-N 3.28Å; N28-Q30 PolarHBondContact ND2-OE1 3.48Å; N28-Q30 PolarHBondContact O-N 2.95Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.16Å; N28-Q30 WeakPolarHBondContact OD1-CG 2.93Å; N28-Q30 PolarHBondContact OD1-N 2.8Å; N28-Q30 PolarHBondContact OD1-OE1 2.73Å
29	L	92.9	Very high	93.3	Very high	96 Å²	96	107.5 Å²	107.5	50%	0.503	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	3	-178.6	-56.6	-178.5	0	0	0	114.4	V27 S31 I33 V35	V27-L29 HydrophobicContact CG1-CD2 4.41Å; V27-L29 PolarHBondContact O-N 2.78Å; L29-S31 PolarHBondContact O-N 3.05Å; L29-I33 HydrophobicContact CD2-CB 4.38Å; L29-I33 HydrophobicContact CD2-CG2 3.66Å; L29-V35 HydrophobicContact CD1-CG2 3.99Å; L29-V35 HydrophobicContact CD2-CG2 4.16Å
30	Q	87.4	Confident	93.4	Very high	170 Å²	170	108.4 Å²	108.4	79%	0.794	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-24.4	-172.2	-72.4	170.5	-16	0	0	115	N28	N28-Q30 VanDerWaalsContact C-N 3.28Å; N28-Q30 PolarHBondContact ND2-OE1 3.48Å; N28-Q30 PolarHBondContact O-N 2.95Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.16Å; N28-Q30 WeakPolarHBondContact OD1-CG 2.93Å; N28-Q30 PolarHBondContact OD1-N 2.8Å; N28-Q30 PolarHBondContact OD1-OE1 2.73Å
31	S	84.4	Confident	93.4	Very high	93 Å²	93	109 Å²	109	65%	0.65	61%	0.607	S	S	*	*	S	Bend	trans	-145.2	128.9	-178.5	65.9	0	0	0	0	112.4	L29 I33	L29-S31 PolarHBondContact O-N 3.05Å; S31-I33 PolarHBondContact O-N 3.35Å; S31-I33 VanDerWaalsContact O-N 3.08Å
32	G	86.4	Confident	93.3	Very high	94 Å²	94	107.9 Å²	107.9	97%	0.969	60%	0.604	S	S	*	*	S	Bend	trans	72.6	-8	172.8	0	0	0	0	0	116.4
33	I	92	Very high	93.3	Very high	80 Å²	80	102.9 Å²	102.9	41%	0.41	58%	0.581	S	S	.	*			trans	-118.7	130.8	-174.5	-56.5	178.1	0	0	0	109.4	V27 L29 S31	V27-I33 HydrophobicContact CG1-CD1 3.3Å; V27-I33 HydrophobicContact CG1-CG2 4.14Å; L29-I33 HydrophobicContact CD2-CB 4.38Å; L29-I33 HydrophobicContact CD2-CG2 3.66Å; S31-I33 PolarHBondContact O-N 3.35Å; S31-I33 VanDerWaalsContact O-N 3.08Å
34	R	90.8	Very high	93.2	Very high	230 Å²	230	100.3 Å²	100.3	87%	0.868	57%	0.567	S	S	*	*			trans	-132.5	141.8	172.1	-61.4	-167.8	-161.6	-85.5	1.5	109.7
35	V	93.4	Very high	93.1	Very high	118 Å²	118	96 Å²	96	72%	0.715	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-82	134.7	171.1	-178.4	0	0	0	0	108.4	L29	L29-V35 HydrophobicContact CD1-CG2 3.99Å; L29-V35 HydrophobicContact CD2-CG2 4.16Å
36	I	94.4	Very high	93	Very high	64 Å²	64	92.1 Å²	92.1	33%	0.328	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-100	137.8	174.3	-58.6	-178.3	0	0	0	108.1	L114 V121	I36-L114 HydrophobicContact CD1-CD2 4.32Å; I36-L114 HydrophobicContact CG2-CD2 4.39Å; I36-V121 HydrophobicContact CB-CG2 4.08Å; I36-V121 HydrophobicContact CG2-CG2 3.64Å
37	S	95.9	Very high	93.1	Very high	69 Å²	69	86.1 Å²	86.1	48%	0.483	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-68.8	150.7	-178.9	53.4	0	0	0	0	112.8	P120 V121	S37-P120 WeakPolarHBondContact O-CA 3.22Å; S37-P120 WeakPolarHBondContact O-CB 3.18Å; S37-V121 PolarHBondContact O-N 2.84Å; S37-V121 VanDerWaalsContact O-N 3.1Å
38	L	97.3	Very high	93.2	Very high	62 Å²	62	85.6 Å²	85.6	33%	0.325	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-69.8	149.1	162.8	-65.7	178.5	0	0	0	110.1	V144 L148 V151 I155	L38-V144 HydrophobicContact CD2-CG1 4.03Å; L38-L148 HydrophobicContact CB-CD1 4.17Å; L38-L148 HydrophobicContact CD1-CD1 4.11Å; L38-V151 HydrophobicContact CD1-CG1 3.82Å; L38-V151 HydrophobicContact CD2-CG1 3.84Å; L38-I155 HydrophobicContact CD1-CD1 4.05Å
39	P	97.5	Very high	93.4	Very high	0 Å²	0	82.9 Å²	82.9	0%	0	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-69.5	160	172.3	30	-33.1	0	0	0	111.1	D43 P120 V121 V144 A145	P39-D43 HydrophobicContact CB-CB 3.79Å; P39-P120 HydrophobicContact CB-CB 4.21Å; P39-P120 HydrophobicContact CB-CG 4.28Å; P39-V121 VanDerWaalsContact CD-O 3.24Å; P39-V121 WeakPolarHBondContact CD-O 3.36Å; P39-V121 WeakPolarHBondContact CG-O 3.34Å; P39-V144 VanDerWaalsContact CD-CG1 3.48Å; P39-V144 HydrophobicContact CG-CB 3.86Å; P39-V144 HydrophobicContact CG-CG1 3.67Å; P39-A145 HydrophobicContact CB-CB 4.29Å; P39-A145 HydrophobicContact CG-CB 4.07Å
40	Q	96.9	Very high	93.4	Very high	101 Å²	101	80.8 Å²	80.8	47%	0.472	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-77.1	158.8	160.9	-60.9	-56.3	-41.5	0	0	110.4	S42 D43	Q40-S42 PolarHBondContact O-N 2.75Å; Q40-S42 VanDerWaalsContact O-N 3.09Å; Q40-D43 PolarHBondContact N-OD2 3.31Å; Q40-D43 WeakPolarHBondContact O-CB 3.37Å; Q40-D43 PolarHBondContact O-N 3.38Å
41	P	95.1	Very high	93.8	Very high	76 Å²	76	72.8 Å²	72.8	49%	0.494	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.4	173.7	-26.7	34.9	0	0	0	113.9	L148	P41-L148 HydrophobicContact CG-CD2 3.86Å
42	S	94.6	Very high	94.1	Very high	99 Å²	99	69.6 Å²	69.6	69%	0.692	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-13	177.2	54.9	0	0	0	0	114.4	Q40 I44	Q40-S42 PolarHBondContact O-N 2.75Å; Q40-S42 VanDerWaalsContact O-N 3.09Å; S42-I44 PolarHBondContact O-N 2.68Å
43	D	95	Very high	94.2	Very high	58 Å²	58	65.1 Å²	65.1	31%	0.31	38%	0.382	S	S	.	.			trans	-81.9	45.9	-176.7	-60.6	-19	0	0	0	110.9	P39 Q40 P45 L122	P39-D43 HydrophobicContact CB-CB 3.79Å; Q40-D43 PolarHBondContact N-OD2 3.31Å; Q40-D43 WeakPolarHBondContact O-CB 3.37Å; Q40-D43 PolarHBondContact O-N 3.38Å; D43-P45 VanDerWaalsContact O-CD 3.3Å; D43-P45 WeakPolarHBondContact O-CD 3.21Å; D43-L122 HydrophobicContact CB-CD2 4.27Å; D43-L122 WeakPolarHBondContact O-CD2 3.43Å
44	I	93.5	Very high	94.1	Very high	66 Å²	66	62.8 Å²	62.8	34%	0.338	37%	0.371	S	S	.	.			trans	-91.7	106.9	169.9	-60.5	173.8	0	0	0	106.5	S42 A145 R146	S42-I44 PolarHBondContact O-N 2.68Å; I44-A145 HydrophobicContact CG1-CB 3.93Å; I44-R146 HydrophobicContact CD1-CG 3.99Å
45	P	93.1	Very high	94	Very high	20 Å²	20	52 Å²	52	13%	0.13	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-70.7	136	-174.7	31	-39.1	0	0	0	111.3	D43 T49 I80 L122	D43-P45 VanDerWaalsContact O-CD 3.3Å; D43-P45 WeakPolarHBondContact O-CD 3.21Å; P45-T49 HydrophobicContact CB-CG2 3.93Å; P45-I80 HydrophobicContact CB-CD1 3.38Å; P45-I80 HydrophobicContact CG-CD1 3.16Å; P45-I80 HydrophobicContact CG-CG1 4.4Å; P45-L122 HydrophobicContact CG-CD1 4.15Å
46	P	95.3	Very high	93.6	Very high	82 Å²	82	52.1 Å²	52.1	53%	0.532	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-70.3	162.3	175.9	29.1	-34.9	0	0	0	112.2	T49	P46-T49 WeakPolarHBondContact CD-OG1 3.43Å; P46-T49 WeakPolarHBondContact CG-OG1 3.34Å; P46-T49 VanDerWaalsContact O-CB 3.3Å; P46-T49 WeakPolarHBondContact O-CB 3.11Å; P46-T49 PolarHBondContact O-N 3.16Å; P46-T49 PolarHBondContact O-OG1 2.69Å
47	P	95.1	Very high	92.9	Very high	65 Å²	65	50 Å²	50	42%	0.422	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	143.6	166.6	-19.3	27.1	0	0	0	112	T49 E82	P47-T49 VanDerWaalsContact C-N 3.3Å; P47-E82 HydrophobicContact CB-CG 4.27Å; P47-E82 VanDerWaalsContact CG-CD 3.45Å; P47-E82 HydrophobicContact CG-CG 3.67Å; P47-E82 WeakPolarHBondContact CG-OE1 3.47Å
48	G	94.6	Very high	91.9	Very high	57 Å²	57	52.3 Å²	52.3	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-12.5	-174.7	0	0	0	0	0	113.8	G50 I80	G48-G50 PolarHBondContact O-N 3.45Å; G48-I80 PolarHBondContact N-O 3.15Å
49	T	95.7	Very high	90.8	Very high	41 Å²	41	49.9 Å²	49.9	25%	0.252	30%	0.3	S	S	.	.			trans	-64.1	126.2	175.4	-63.3	0	0	0	0	111.2	P45 P46 P47 V51 T79 I80	P45-T49 HydrophobicContact CB-CG2 3.93Å; P46-T49 WeakPolarHBondContact CD-OG1 3.43Å; P46-T49 WeakPolarHBondContact CG-OG1 3.34Å; P46-T49 VanDerWaalsContact O-CB 3.3Å; P46-T49 WeakPolarHBondContact O-CB 3.11Å; P46-T49 PolarHBondContact O-N 3.16Å; P46-T49 PolarHBondContact O-OG1 2.69Å; P47-T49 VanDerWaalsContact C-N 3.3Å; T49-V51 HydrophobicContact CG2-CG1 4.26Å; T49-T79 WeakPolarHBondContact O-CA 3.38Å; T49-I80 HydrophobicContact CG2-CD1 4.18Å; T49-I80 PolarHBondContact O-N 2.83Å
50	G	93.7	Very high	89.6	Confident	51 Å²	51	53.3 Å²	53.3	53%	0.526	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.7	171.9	0	0	0	0	0	111.4	G48 A78	G48-G50 PolarHBondContact O-N 3.45Å; G50-A78 WeakPolarHBondContact CA-O 3.44Å
51	V	94.3	Very high	88.4	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165.4	-176.8	-71.8	0	0	0	0	110.8	T49 R77 A78 I80 V94 L113 L114 L122	T49-V51 HydrophobicContact CG2-CG1 4.26Å; V51-R77 WeakPolarHBondContact O-CA 3.41Å; V51-A78 HydrophobicContact CG2-CB 4.09Å; V51-A78 WeakPolarHBondContact CG2-O 3.11Å; V51-A78 PolarHBondContact N-O 2.91Å; V51-A78 PolarHBondContact O-N 2.85Å; V51-I80 HydrophobicContact CG1-CD1 3.49Å; V51-I80 VanDerWaalsContact CG1-CD1 3.49Å; V51-I80 HydrophobicContact CG1-CG1 4.15Å; V51-I80 HydrophobicContact CG2-CD1 4.35Å; V51-I80 HydrophobicContact CG2-CG1 4.09Å; V51-V94 HydrophobicContact CG2-CG1 4.34Å; V51-L113 HydrophobicContact CB-CD1 3.99Å; V51-L113 HydrophobicContact CB-CG 4.27Å; V51-L113 HydrophobicContact CG1-CG 4.44Å; V51-L113 HydrophobicContact CG2-CD1 3.65Å; V51-L113 HydrophobicContact CG2-CG 4.29Å; V51-L114 CarbonylContact C-O 3.56Å; V51-L114 WeakPolarHBondContact CA-O 3.03Å; V51-L122 HydrophobicContact CG1-CD1 4.19Å
52	F	91.6	Very high	87.4	Confident	25 Å²	25	50.8 Å²	50.8	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.6	173.5	-60.9	-75.8	0	0	0	110.2	K75 G76 R77 L114 P115	F52-K75 HydrophobicContact CD1-CD 4.28Å; F52-K75 HydrophobicContact CD1-CG 4.27Å; F52-G76 WeakPolarHBondContact CA-O 3.39Å; F52-R77 HydrophobicContact CD1-CG 4.14Å; F52-R77 HydrophobicContact CE1-CG 3.9Å; F52-L114 HydrophobicContact CB-CB 4.37Å; F52-L114 PolarHBondContact N-O 2.47Å; F52-L114 PolarHBondContact O-N 2.75Å; F52-P115 WeakPolarHBondContact CD2-O 3.44Å; F52-P115 WeakPolarHBondContact CE2-O 2.83Å
53	I	89.4	Confident	86.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.3	172	53.1	152.6	0	0	0	107.8	K75 G76 A78 F100 L103 P106 L113 Y141	I53-K75 WeakPolarHBondContact O-CA 3.17Å; I53-G76 PolarHBondContact N-O 3.22Å; I53-G76 VanDerWaalsContact N-O 3.13Å; I53-G76 PolarHBondContact O-N 2.93Å; I53-A78 HydrophobicContact CG2-CB 4.17Å; I53-F100 HydrophobicContact CD1-CE1 3.35Å; I53-F100 HydrophobicContact CD1-CZ 3.29Å; I53-F100 HydrophobicContact CG1-CZ 4.38Å; I53-L103 HydrophobicContact CD1-CD1 4.11Å; I53-P106 VanDerWaalsContact CB-O 3.26Å; I53-P106 WeakPolarHBondContact CB-O 3.01Å; I53-P106 HydrophobicContact CD1-CB 3.66Å; I53-P106 WeakPolarHBondContact CD1-O 3.44Å; I53-P106 WeakPolarHBondContact CG2-O 3.15Å; I53-L113 HydrophobicContact CG2-CD1 3.82Å; I53-Y141 WeakPolarHBondContact CG2-OH 3.06Å
54	V	88.1	Confident	86.1	Confident	32 Å²	32	57.3 Å²	57.3	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151	-179.6	-63.8	0	0	0	0	110.4	L73 K74 K75 P112 L114	V54-L73 HydrophobicContact CB-CD1 4.34Å; V54-K74 VanDerWaalsContact CA-O 3.24Å; V54-K74 WeakPolarHBondContact CA-O 3.37Å; V54-K75 HydrophobicContact CG1-CB 4.3Å; V54-K75 HydrophobicContact CG1-CG 4.29Å; V54-P112 HydrophobicContact CG2-CG 3.71Å; V54-L114 HydrophobicContact CG2-CD1 4.46Å
55	G	88.7	Confident	85.6	Confident	4 Å²	4	59 Å²	59	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	169.7	179	0	0	0	0	0	112.7	K74 D108	G55-K74 PolarHBondContact N-O 2.56Å; G55-K74 PolarHBondContact O-N 2.93Å; G55-D108 WeakPolarHBondContact CA-OD2 3.41Å
56	Y	86.7	Confident	85.1	Confident	119 Å²	119	62.6 Å²	62.6	47%	0.467	35%	0.354	S	S	.	.			trans	-103.1	-2.2	-179.3	-71.8	-81.6	0	0	0	113.4	G70 L73 K74 D108	Y56-G70 WeakPolarHBondContact O-CA 3.5Å; Y56-G70 PolarHBondContact O-N 3.37Å; Y56-L73 HydrophobicContact CD1-CB 4.27Å; Y56-L73 HydrophobicContact CD2-CD1 4.13Å; Y56-L73 HydrophobicContact CE1-CB 3.64Å; Y56-L73 HydrophobicContact CE1-CD1 4.33Å; Y56-L73 HydrophobicContact CE2-CD1 3.79Å; Y56-K74 PolarHBondContact O-NZ 3.25Å; Y56-D108 PolarHBondContact N-OD2 3.5Å
57	G	78.5	Confident	84.4	Confident	21 Å²	21	62.2 Å²	62.2	22%	0.216	34%	0.342	C	S	.	.			trans	-49.3	-150.5	-170.4	0	0	0	0	0	117.7	D59 G70 K74 D108	G57-D59 PolarHBondContact O-N 2.87Å; G57-G70 PolarHBondContact O-N 2.97Å; G57-K74 VanDerWaalsContact C-NZ 3.27Å; G57-K74 PolarHBondContact O-NZ 2.61Å; G57-D108 WeakPolarHBondContact CA-OD1 3.09Å; G57-D108 PolarHBondContact N-OD1 2.91Å
58	R	75.2	Confident	83.6	Confident	116 Å²	116	62.1 Å²	62.1	44%	0.438	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-67.6	144	179.9	-173.5	174.8	179	96.4	2.2	111.2	D60 K68 K74 P104	R58-D60 IonicContact CZ-OD1 3.16Å; R58-D60 IonicContact NE-OD1 3.16Å; R58-D60 PolarHBondContact NE-OD1 3.05Å; R58-D60 IonicContact NE-OD2 2.69Å; R58-D60 PolarHBondContact NE-OD2 3.43Å; R58-D60 IonicContact NH2-OD1 2.77Å; R58-D60 PolarHBondContact NH2-OD1 3.35Å; R58-K68 CarbonylContact C-O 3.35Å; R58-K68 WeakPolarHBondContact CA-O 3.01Å; R58-K74 PolarHBondContact O-NZ 3.39Å; R58-P104 HydrophobicContact CB-CG 3.64Å; R58-P104 HydrophobicContact CG-CG 3.98Å; R58-P104 WeakPolarHBondContact O-CD 3.24Å
59	D	74.3	Confident	82.9	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.064	34%	0.335	C	S	.	.			trans	-132.4	104.2	166.6	-169.3	-9.8	0	0	0	108.2	G57 N61 D62 K68 K74	G57-D59 PolarHBondContact O-N 2.87Å; D59-N61 PolarHBondContact O-N 2.68Å; D59-N61 WeakPolarHBondContact OD1-CA 3.38Å; D59-N61 WeakPolarHBondContact OD1-CB 3.34Å; D59-N61 PolarHBondContact OD1-N 2.9Å; D59-D62 HydrophobicContact CB-CB 4.13Å; D59-D62 PolarHBondContact OD1-N 3.48Å; D59-K68 PolarHBondContact N-O 3.36Å; D59-K68 WeakPolarHBondContact O-CG 3.32Å; D59-K74 HydrophobicContact CB-CD 3.81Å
60	D	73.3	Confident	81.9	Confident	72 Å²	72	64.7 Å²	64.7	39%	0.385	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.5	178.5	-73.6	-55.8	0	0	0	112.8	R58	R58-D60 IonicContact CZ-OD1 3.16Å; R58-D60 IonicContact NE-OD1 3.16Å; R58-D60 PolarHBondContact NE-OD1 3.05Å; R58-D60 IonicContact NE-OD2 2.69Å; R58-D60 PolarHBondContact NE-OD2 3.43Å; R58-D60 IonicContact NH2-OD1 2.77Å; R58-D60 PolarHBondContact NH2-OD1 3.35Å
61	N	71.3	Confident	81.2	Confident	105 Å²	105	63.9 Å²	63.9	56%	0.561	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.4	179.7	-60.6	-69.6	0	0	0	113.1	D59 R63 G101	D59-N61 PolarHBondContact O-N 2.68Å; D59-N61 WeakPolarHBondContact OD1-CA 3.38Å; D59-N61 WeakPolarHBondContact OD1-CB 3.34Å; D59-N61 PolarHBondContact OD1-N 2.9Å; N61-R63 PolarHBondContact O-N 3.37Å; N61-G101 WeakPolarHBondContact CB-O 3.49Å; N61-G101 PolarHBondContact ND2-O 3.1Å
62	D	73.8	Confident	80.6	Confident	18 Å²	18	68.2 Å²	68.2	10%	0.096	36%	0.357	C	S	.	.			trans	-68.6	125.3	172.6	-156.5	-34.8	0	0	0	110.5	D59 D64 R67 K68	D59-D62 HydrophobicContact CB-CB 4.13Å; D59-D62 PolarHBondContact OD1-N 3.48Å; D62-D64 PolarHBondContact O-N 2.96Å; D62-D64 PolarHBondContact OD1-N 3.4Å; D62-R67 VanDerWaalsContact CG-NH1 3.32Å; D62-R67 IonicContact OD1-CZ 2.64Å; D62-R67 IonicContact OD1-NH1 3.61Å; D62-R67 PolarHBondContact OD1-NH1 3.08Å; D62-R67 VanDerWaalsContact OD1-NH1 3.16Å; D62-R67 IonicContact OD1-NH2 3.56Å; D62-R67 PolarHBondContact OD1-NH2 3.45Å; D62-R67 VanDerWaalsContact OD2-CB 3.3Å; D62-R67 WeakPolarHBondContact OD2-CB 3.33Å; D62-R67 IonicContact OD2-CZ 3.78Å; D62-R67 IonicContact OD2-NH1 3.67Å; D62-R67 PolarHBondContact OD2-NH1 3.32Å; D62-R67 IonicContact OD2-NH2 2.97Å; D62-K68 HydrophobicContact CB-CG 4.46Å
63	R	80.5	Confident	80.3	Confident	242 Å²	242	71.4 Å²	71.4	91%	0.913	38%	0.375	S	S	*	.	S	Bend	trans	-67.5	-21	179.5	-65.1	-176.6	-178	174.8	-0.8	112.7	N61 P65	N61-R63 PolarHBondContact O-N 3.37Å; R63-P65 WeakPolarHBondContact O-CD 3.23Å
64	D	82.7	Confident	80.1	Confident	53 Å²	53	71.6 Å²	71.6	28%	0.283	38%	0.376	S	S	.	.	S	Bend	trans	-98.1	110.5	175.1	-178	-11.7	0	0	0	109.8	D62 S66 R67 K68	D62-D64 PolarHBondContact O-N 2.96Å; D62-D64 PolarHBondContact OD1-N 3.4Å; D64-S66 PolarHBondContact O-N 2.87Å; D64-S66 VanDerWaalsContact O-N 3.11Å; D64-S66 WeakPolarHBondContact OD1-CB 3.37Å; D64-S66 PolarHBondContact OD1-N 3.07Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-S66 PolarHBondContact OD2-OG 3.18Å; D64-R67 HydrophobicContact CB-CB 4.13Å; D64-R67 HydrophobicContact CB-CG 4.2Å; D64-R67 VanDerWaalsContact CB-NE 3.35Å; D64-R67 PolarHBondContact O-N 2.85Å; D64-R67 WeakPolarHBondContact OD2-CG 3.35Å; D64-R67 IonicContact OD2-CZ 3.13Å; D64-R67 IonicContact OD2-NE 2.96Å; D64-R67 PolarHBondContact OD2-NE 2.74Å; D64-K68 PolarHBondContact O-N 2.82Å
65	P	82.1	Confident	79.9	Confident	101 Å²	101	75.1 Å²	75.1	66%	0.656	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-56.2	-28.3	179.4	-25.9	35.6	0	0	0	114	R63 R67	R63-P65 WeakPolarHBondContact O-CD 3.23Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.67Å
66	S	83.4	Confident	79.7	Confident	95 Å²	95	75.5 Å²	75.5	66%	0.664	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-72.2	-22.3	179.1	74.5	0	0	0	0	112.8	D64	D64-S66 PolarHBondContact O-N 2.87Å; D64-S66 VanDerWaalsContact O-N 3.11Å; D64-S66 WeakPolarHBondContact OD1-CB 3.37Å; D64-S66 PolarHBondContact OD1-N 3.07Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-S66 PolarHBondContact OD2-OG 3.18Å
67	R	80.2	Confident	79.8	Confident	75 Å²	75	78.5 Å²	78.5	28%	0.283	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-96.9	-5.2	-177.8	-69.8	-169	-63.1	100.1	7.2	113.7	D62 D64 P65 N69 G71	D62-R67 VanDerWaalsContact CG-NH1 3.32Å; D62-R67 IonicContact OD1-CZ 2.64Å; D62-R67 IonicContact OD1-NH1 3.61Å; D62-R67 PolarHBondContact OD1-NH1 3.08Å; D62-R67 VanDerWaalsContact OD1-NH1 3.16Å; D62-R67 IonicContact OD1-NH2 3.56Å; D62-R67 PolarHBondContact OD1-NH2 3.45Å; D62-R67 VanDerWaalsContact OD2-CB 3.3Å; D62-R67 WeakPolarHBondContact OD2-CB 3.33Å; D62-R67 IonicContact OD2-CZ 3.78Å; D62-R67 IonicContact OD2-NH1 3.67Å; D62-R67 PolarHBondContact OD2-NH1 3.32Å; D62-R67 IonicContact OD2-NH2 2.97Å; D64-R67 HydrophobicContact CB-CB 4.13Å; D64-R67 HydrophobicContact CB-CG 4.2Å; D64-R67 VanDerWaalsContact CB-NE 3.35Å; D64-R67 PolarHBondContact O-N 2.85Å; D64-R67 WeakPolarHBondContact OD2-CG 3.35Å; D64-R67 IonicContact OD2-CZ 3.13Å; D64-R67 IonicContact OD2-NE 2.96Å; D64-R67 PolarHBondContact OD2-NE 2.74Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.67Å; R67-N69 PolarHBondContact O-N 3.12Å; R67-G71 PolarHBondContact O-N 2.83Å
68	K	78.3	Confident	80.3	Confident	62 Å²	62	77.6 Å²	77.6	27%	0.27	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.4	178.4	-72	-169.1	174.6	-163.7	0	114	R58 D59 D62 D64	R58-K68 CarbonylContact C-O 3.35Å; R58-K68 WeakPolarHBondContact CA-O 3.01Å; D59-K68 PolarHBondContact N-O 3.36Å; D59-K68 WeakPolarHBondContact O-CG 3.32Å; D62-K68 HydrophobicContact CB-CG 4.46Å; D64-K68 PolarHBondContact O-N 2.82Å
69	N	78.7	Confident	81.1	Confident	111 Å²	111	75 Å²	75	59%	0.594	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-123.2	103.6	171.1	-55.9	-44.7	0	0	0	108	R67	R67-N69 PolarHBondContact O-N 3.12Å
70	G	75	Confident	82.1	Confident	41 Å²	41	74.8 Å²	74.8	42%	0.423	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	-5.1	171.3	0	0	0	0	0	117.5	Y56 G57	Y56-G70 WeakPolarHBondContact O-CA 3.5Å; Y56-G70 PolarHBondContact O-N 3.37Å; G57-G70 PolarHBondContact O-N 2.97Å
71	G	79.9	Confident	83	Confident	35 Å²	35	72.7 Å²	72.7	36%	0.361	38%	0.377	S	S	.	.	S	Bend	trans	-74.7	-40.1	-164.5	0	0	0	0	0	116.5	R67	R67-G71 PolarHBondContact O-N 2.83Å
72	I	81.6	Confident	84	Confident	93 Å²	93	73.6 Å²	73.6	48%	0.477	38%	0.378	S	S	.	.	S	Bend	trans	-134.2	141	-178.1	-65.6	-178.5	0	0	0	109.2	K74	I72-K74 VanDerWaalsContact O-CE 3.22Å; I72-K74 WeakPolarHBondContact O-CE 3.4Å; I72-K74 PolarHBondContact O-N 2.78Å
73	L	85.9	Confident	84.8	Confident	92 Å²	92	74.4 Å²	74.4	48%	0.482	38%	0.384	S	S	.	.			trans	-64.6	124.9	170.9	-179.7	65.9	0	0	0	109.9	V54 Y56	V54-L73 HydrophobicContact CB-CD1 4.34Å; Y56-L73 HydrophobicContact CD1-CB 4.27Å; Y56-L73 HydrophobicContact CD2-CD1 4.13Å; Y56-L73 HydrophobicContact CE1-CB 3.64Å; Y56-L73 HydrophobicContact CE1-CD1 4.33Å; Y56-L73 HydrophobicContact CE2-CD1 3.79Å
74	K	83.7	Confident	85.1	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.017	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	153.9	179.6	-70.7	156.5	-83	-174.6	0	111.2	V54 G55 Y56 G57 R58 D59 I72 Q102 L103	V54-K74 VanDerWaalsContact CA-O 3.24Å; V54-K74 WeakPolarHBondContact CA-O 3.37Å; G55-K74 PolarHBondContact N-O 2.56Å; G55-K74 PolarHBondContact O-N 2.93Å; Y56-K74 PolarHBondContact O-NZ 3.25Å; G57-K74 VanDerWaalsContact C-NZ 3.27Å; G57-K74 PolarHBondContact O-NZ 2.61Å; R58-K74 PolarHBondContact O-NZ 3.39Å; D59-K74 HydrophobicContact CB-CD 3.81Å; I72-K74 VanDerWaalsContact O-CE 3.22Å; I72-K74 WeakPolarHBondContact O-CE 3.4Å; I72-K74 PolarHBondContact O-N 2.78Å; K74-Q102 HydrophobicContact CD-CB 4.26Å; K74-Q102 WeakPolarHBondContact CD-O 3.16Å; K74-Q102 HydrophobicContact CG-CB 4.22Å; K74-L103 HydrophobicContact CB-CD1 3.78Å; K74-L103 HydrophobicContact CB-CD2 3.79Å; K74-L103 HydrophobicContact CB-CG 3.64Å; K74-L103 HydrophobicContact CD-CD2 3.74Å; K74-L103 HydrophobicContact CD-CG 4.03Å; K74-L103 HydrophobicContact CG-CD2 4.42Å; K74-L103 HydrophobicContact CG-CG 4.41Å
75	K	85.2	Confident	85.3	Confident	107 Å²	107	70.6 Å²	70.6	47%	0.465	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.2	177.9	178.3	-177	175.2	-177.7	0	109.3	F52 I53 V54	F52-K75 HydrophobicContact CD1-CD 4.28Å; F52-K75 HydrophobicContact CD1-CG 4.27Å; I53-K75 WeakPolarHBondContact O-CA 3.17Å; V54-K75 HydrophobicContact CG1-CB 4.3Å; V54-K75 HydrophobicContact CG1-CG 4.29Å
76	G	83.5	Confident	85.6	Confident	11 Å²	11	68.6 Å²	68.6	11%	0.113	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.8	173.6	0	0	0	0	0	111.9	F52 I53	F52-G76 WeakPolarHBondContact CA-O 3.39Å; I53-G76 PolarHBondContact N-O 3.22Å; I53-G76 VanDerWaalsContact N-O 3.13Å; I53-G76 PolarHBondContact O-N 2.93Å
77	R	88.7	Confident	85.9	Confident	182 Å²	182	66.2 Å²	66.2	69%	0.687	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.9	164.6	-72	-178.7	-179.8	-96.8	6.2	108.9	V51 F52 G97 F100	V51-R77 WeakPolarHBondContact O-CA 3.41Å; F52-R77 HydrophobicContact CD1-CG 4.14Å; F52-R77 HydrophobicContact CE1-CG 3.9Å; R77-G97 PolarHBondContact O-N 3.37Å; R77-F100 WeakPolarHBondContact O-CE2 3.39Å
78	A	89.7	Confident	86.3	Confident	2 Å²	2	65.8 Å²	65.8	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	170.3	176.2	0	0	0	0	0	110.2	G50 V51 I53 V94 K95	G50-A78 WeakPolarHBondContact CA-O 3.44Å; V51-A78 HydrophobicContact CG2-CB 4.09Å; V51-A78 WeakPolarHBondContact CG2-O 3.11Å; V51-A78 PolarHBondContact N-O 2.91Å; V51-A78 PolarHBondContact O-N 2.85Å; I53-A78 HydrophobicContact CG2-CB 4.17Å; A78-V94 HydrophobicContact CB-CG1 3.38Å; A78-K95 WeakPolarHBondContact CA-O 3.38Å; A78-K95 WeakPolarHBondContact CB-O 2.91Å
79	T	92.5	Very high	86.8	Confident	63 Å²	63	63.7 Å²	63.7	39%	0.387	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.5	-179.4	-57.8	0	0	0	0	108.7	T49 K95	T49-T79 WeakPolarHBondContact O-CA 3.38Å; T79-K95 PolarHBondContact N-O 2.83Å; T79-K95 PolarHBondContact O-N 3.18Å
80	I	93.9	Very high	87.5	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	142	173.5	-68.5	155.1	0	0	0	109.1	P45 G48 T49 V51 I92 C93 V94 L113	P45-I80 HydrophobicContact CB-CD1 3.38Å; P45-I80 HydrophobicContact CG-CD1 3.16Å; P45-I80 HydrophobicContact CG-CG1 4.4Å; G48-I80 PolarHBondContact N-O 3.15Å; T49-I80 HydrophobicContact CG2-CD1 4.18Å; T49-I80 PolarHBondContact O-N 2.83Å; V51-I80 HydrophobicContact CG1-CD1 3.49Å; V51-I80 VanDerWaalsContact CG1-CD1 3.49Å; V51-I80 HydrophobicContact CG1-CG1 4.15Å; V51-I80 HydrophobicContact CG2-CD1 4.35Å; V51-I80 HydrophobicContact CG2-CG1 4.09Å; I80-I92 HydrophobicContact CD1-CG2 4.38Å; I80-I92 HydrophobicContact CG1-CG2 3.94Å; I80-I92 HydrophobicContact CG2-CG2 3.97Å; I80-C93 WeakPolarHBondContact CA-O 3.17Å; I80-V94 HydrophobicContact CG1-CG2 4.14Å; I80-L113 HydrophobicContact CG1-CD2 4.49Å
81	M	92.2	Very high	88.4	Confident	28 Å²	28	60.8 Å²	60.8	14%	0.138	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.9	178.7	64.3	177.4	-69.2	0	0	110.7	R84 C93 K95 L134 I138	M81-R84 HydrophobicContact CE-CG 4.3Å; M81-C93 HydrophobicContact CG-CB 4.11Å; M81-C93 PolarHBondContact N-O 3.11Å; M81-K95 HydrophobicContact CG-CB 4.46Å; M81-K95 HydrophobicContact SD-CB 3.7Å; M81-K95 HydrophobicContact SD-CD 4.49Å; M81-L134 HydrophobicContact CE-CD2 4.31Å; M81-I138 HydrophobicContact CE-CD1 3.81Å; M81-I138 HydrophobicContact CE-CG1 4.37Å; M81-I138 HydrophobicContact SD-CD1 3.91Å; M81-I138 HydrophobicContact SD-CG1 3.83Å
82	E	92.7	Very high	89.1	Confident	124 Å²	124	59.6 Å²	59.6	58%	0.579	30%	0.301	S	S	*	.			trans	-61.3	137.2	167.8	-68	-62.5	167.8	0	0	110.8	P47 R84	P47-E82 HydrophobicContact CB-CG 4.27Å; P47-E82 VanDerWaalsContact CG-CD 3.45Å; P47-E82 HydrophobicContact CG-CG 3.67Å; P47-E82 WeakPolarHBondContact CG-OE1 3.47Å; E82-R84 PolarHBondContact O-N 3.16Å
83	C	90.2	Very high	89.7	Confident	34 Å²	34	55.2 Å²	55.2	23%	0.23	28%	0.279	C	S	.	.			trans	-69.7	119.4	170.3	-65.3	0	0	0	0	109.2	T87 C93	C83-T87 HydrophobicContact CB-CG2 3.88Å; C83-C93 WeakPolarHBondContact CA-SG 3.45Å; C83-C93 HydrophobicContact CB-CB 4.04Å; C83-C93 WeakPolarHBondContact CB-SG 3.48Å; C83-C93 WeakPolarHBondContact SG-CB 3.44Å; C83-C93 CovalentContact SG-SG 2.03Å; C83-C93 PolarHBondContact SG-SG 3.39Å
84	R	87.8	Confident	90	Very high	175 Å²	175	50.8 Å²	50.8	66%	0.66	26%	0.256	S	S	*	.			trans	-102.3	27.6	-174.1	-63.2	-175.3	-179.5	-169.7	-0.8	113	M81 E82 L131	M81-R84 HydrophobicContact CE-CG 4.3Å; E82-R84 PolarHBondContact O-N 3.16Å; R84-L131 HydrophobicContact CB-CD1 4.03Å
85	H	86.4	Confident	90.2	Very high	41 Å²	41	53.6 Å²	53.6	19%	0.19	27%	0.268	C	S	.	.	S	Bend	trans	-151.6	168.3	-179.1	55.3	-87.8	0	0	0	109.7	T87 L131 E140	H85-T87 PolarHBondContact O-N 3.11Å; H85-L131 HydrophobicContact CB-CD1 4.49Å; H85-L131 HydrophobicContact CB-CD2 3.83Å; H85-E140 IonicContact CD2-OE1 2.68Å; H85-E140 IonicContact CE1-OE1 3.73Å; H85-E140 IonicContact NE2-OE1 3.36Å; H85-E140 PolarHBondContact NE2-OE1 2.99Å
86	A	88.3	Confident	90	Very high	58 Å²	58	49.5 Å²	49.5	48%	0.479	25%	0.254	S	S	.	.			trans	-69.1	121.8	179.2	0	0	0	0	0	110.7	Q11	Q11-A86 HydrophobicContact CG-CB 4.31Å
87	T	89.6	Confident	89.5	Confident	46 Å²	46	50.5 Å²	50.5	28%	0.282	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-124.2	150	179.8	64.6	0	0	0	0	110.9	C83 H85 P91 E140	C83-T87 HydrophobicContact CB-CG2 3.88Å; H85-T87 PolarHBondContact O-N 3.11Å; T87-P91 VanDerWaalsContact CB-CD 3.49Å; T87-P91 HydrophobicContact CG2-CG 3.81Å; T87-E140 VanDerWaalsContact CG2-OE1 3.31Å; T87-E140 WeakPolarHBondContact CG2-OE1 3.02Å
88	N	89.3	Confident	88.2	Confident	65 Å²	65	50.2 Å²	50.2	35%	0.348	27%	0.27	S	S	.	.	S	Bend	trans	-108.4	149.3	166.8	-161.6	7.1	0	0	0	111.2	T12 L13 G15 N90	T12-N88 WeakPolarHBondContact O-CA 3.42Å; T12-N88 WeakPolarHBondContact O-CB 3.42Å; T12-N88 PolarHBondContact O-N 3.46Å; L13-N88 HydrophobicContact CD2-CB 3.85Å; L13-N88 VanDerWaalsContact CD2-ND2 3.25Å; L13-N88 WeakPolarHBondContact CD2-ND2 3.28Å; G15-N88 WeakPolarHBondContact CA-O 3.17Å; G15-N88 PolarHBondContact N-O 2.96Å; N88-N90 PolarHBondContact O-N 2.79Å
89	G	88.8	Confident	86.6	Confident	19 Å²	19	58 Å²	58	20%	0.196	31%	0.312	C	S	.	.	S	Bend	trans	70.6	6.2	179.6	0	0	0	0	0	115.5
90	N	92.6	Very high	84.8	Confident	88 Å²	88	57.3 Å²	57.3	47%	0.471	30%	0.303	S	S	.	.			trans	53.6	73.4	179.3	-159.3	-3.2	0	0	0	111.1	N88 R146	N88-N90 PolarHBondContact O-N 2.79Å; N90-R146 VanDerWaalsContact C-NH1 3.34Å; N90-R146 PolarHBondContact ND2-NH1 2.99Å; N90-R146 PolarHBondContact ND2-NH2 2.98Å; N90-R146 VanDerWaalsContact ND2-NH2 3.16Å; N90-R146 WeakPolarHBondContact O-CD 3.32Å; N90-R146 PolarHBondContact O-NH1 3.22Å; N90-R146 VanDerWaalsContact OD1-CZ 3.31Å; N90-R146 PolarHBondContact OD1-NH1 3.43Å; N90-R146 PolarHBondContact OD1-NH2 3.37Å
91	P	94.3	Very high	82.5	Confident	3 Å²	3	59 Å²	59	2%	0.019	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-70.6	169.9	174.5	31.1	-33.5	0	0	0	111.3	T87 E140 Y141 R146	T87-P91 VanDerWaalsContact CB-CD 3.49Å; T87-P91 HydrophobicContact CG2-CG 3.81Å; P91-E140 HydrophobicContact CB-CB 4.09Å; P91-E140 HydrophobicContact CB-CG 4.42Å; P91-E140 HydrophobicContact CG-CB 4.43Å; P91-E140 HydrophobicContact CG-CG 4.25Å; P91-Y141 CarbonylContact C-O 3.56Å; P91-Y141 WeakPolarHBondContact CA-O 3.25Å; P91-Y141 WeakPolarHBondContact CB-O 3.29Å; P91-R146 PolarHBondContact O-NH1 3.42Å
92	I	94.9	Very high	80.3	Confident	9 Å²	9	62.6 Å²	62.6	5%	0.046	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	166.1	-58.5	168.2	0	0	0	107.3	I80 V94 L113 E140 Y141	I80-I92 HydrophobicContact CD1-CG2 4.38Å; I80-I92 HydrophobicContact CG1-CG2 3.94Å; I80-I92 HydrophobicContact CG2-CG2 3.97Å; I92-V94 HydrophobicContact CG2-CG2 3.94Å; I92-L113 HydrophobicContact CD1-CD2 4.43Å; I92-L113 HydrophobicContact CG2-CD2 3.95Å; I92-E140 CarbonylContact O-C 3.58Å; I92-E140 WeakPolarHBondContact O-CA 3.41Å; I92-Y141 PolarHBondContact N-O 2.84Å; I92-Y141 PolarHBondContact O-N 2.85Å
93	C	92.9	Very high	78.3	Confident	1 Å²	1	57 Å²	57	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.3	173.7	-72.5	0	0	0	0	110.4	I80 M81 C83 I138	I80-C93 WeakPolarHBondContact CA-O 3.17Å; M81-C93 HydrophobicContact CG-CB 4.11Å; M81-C93 PolarHBondContact N-O 3.11Å; C83-C93 WeakPolarHBondContact CA-SG 3.45Å; C83-C93 HydrophobicContact CB-CB 4.04Å; C83-C93 WeakPolarHBondContact CB-SG 3.48Å; C83-C93 WeakPolarHBondContact SG-CB 3.44Å; C83-C93 CovalentContact SG-SG 2.03Å; C83-C93 PolarHBondContact SG-SG 3.39Å; C93-I138 HydrophobicContact CB-CG2 3.74Å
94	V	92.1	Very high	76.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.1	-175.5	178.3	0	0	0	0	109.2	V51 A78 I80 I92 L113 V139 Y141	V51-V94 HydrophobicContact CG2-CG1 4.34Å; A78-V94 HydrophobicContact CB-CG1 3.38Å; I80-V94 HydrophobicContact CG1-CG2 4.14Å; I92-V94 HydrophobicContact CG2-CG2 3.94Å; V94-L113 HydrophobicContact CG1-CD1 4.4Å; V94-L113 HydrophobicContact CG2-CD1 4Å; V94-L113 HydrophobicContact CG2-CD2 3.71Å; V94-V139 PolarHBondContact N-O 3.35Å; V94-V139 PolarHBondContact O-N 3.22Å; V94-Y141 HydrophobicContact CB-CD2 4.03Å; V94-Y141 HydrophobicContact CB-CE2 3.66Å; V94-Y141 HydrophobicContact CG1-CE2 4.24Å; V94-Y141 HydrophobicContact CG2-CD2 3.53Å; V94-Y141 HydrophobicContact CG2-CE2 3.57Å
95	K	88.3	Confident	75	Confident	63 Å²	63	52.8 Å²	52.8	27%	0.274	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123	170.3	-178.1	174.4	176.5	171.2	0	109.7	A78 T79 M81 G97 D136	A78-K95 WeakPolarHBondContact CA-O 3.38Å; A78-K95 WeakPolarHBondContact CB-O 2.91Å; T79-K95 PolarHBondContact N-O 2.83Å; T79-K95 PolarHBondContact O-N 3.18Å; M81-K95 HydrophobicContact CG-CB 4.46Å; M81-K95 HydrophobicContact SD-CB 3.7Å; M81-K95 HydrophobicContact SD-CD 4.49Å; K95-G97 PolarHBondContact O-N 3.38Å; K95-D136 WeakPolarHBondContact CE-OD2 3.5Å; K95-D136 IonicContact NZ-OD2 2.66Å; K95-D136 PolarHBondContact NZ-OD2 3.46Å
96	A	81.2	Confident	73.8	Confident	21 Å²	21	51.5 Å²	51.5	17%	0.174	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	131.2	165.2	0	0	0	0	0	111.2	F100 P106	A96-F100 HydrophobicContact CB-CD2 3.75Å; A96-F100 HydrophobicContact CB-CE1 4.08Å; A96-F100 HydrophobicContact CB-CE2 3.11Å; A96-F100 HydrophobicContact CB-CG 4.42Å; A96-F100 HydrophobicContact CB-CZ 3.2Å; A96-P106 HydrophobicContact CB-CB 4.47Å
97	G	73.3	Confident	73	Confident	31 Å²	31	49.2 Å²	49.2	32%	0.32	29%	0.29	S	S	.	.			trans	-57.3	169.1	164.6	0	0	0	0	0	112.4	R77 K95 N99 F100	R77-G97 PolarHBondContact O-N 3.37Å; K95-G97 PolarHBondContact O-N 3.38Å; G97-N99 VanDerWaalsContact C-N 3.35Å; G97-N99 PolarHBondContact O-N 3.07Å; G97-F100 VanDerWaalsContact N-CE2 3.33Å; G97-F100 WeakPolarHBondContact O-CD2 3.32Å; G97-F100 WeakPolarHBondContact O-CE2 3.42Å
98	Q	61.8	Low	72.7	Confident	177 Å²	177	49.6 Å²	49.6	83%	0.827	29%	0.29	S	S	*	.	S	Bend	trans	-79.6	-16.5	-176.9	-67.3	-174.9	-45.9	0	0	113.8	F100	Q98-F100 PolarHBondContact O-N 2.94Å; Q98-F100 VanDerWaalsContact O-N 3.1Å
99	N	54.6	Low	72.7	Confident	165 Å²	165	51.5 Å²	51.5	88%	0.882	31%	0.308	S	S	*	.			trans	-88.5	44.2	-177.2	-66.4	-22.8	0	0	0	113	G97 G101	G97-N99 VanDerWaalsContact C-N 3.35Å; G97-N99 PolarHBondContact O-N 3.07Å; N99-G101 PolarHBondContact O-N 3.12Å
100	F	55.8	Low	72.9	Confident	48 Å²	48	53.1 Å²	53.1	21%	0.211	33%	0.325	C	S	.	.			trans	-77.9	59.8	174.8	-89.7	-100.2	0	0	0	111.3	I53 R77 A96 G97 Q98 Q102 L103 P106	I53-F100 HydrophobicContact CD1-CE1 3.35Å; I53-F100 HydrophobicContact CD1-CZ 3.29Å; I53-F100 HydrophobicContact CG1-CZ 4.38Å; R77-F100 WeakPolarHBondContact O-CE2 3.39Å; A96-F100 HydrophobicContact CB-CD2 3.75Å; A96-F100 HydrophobicContact CB-CE1 4.08Å; A96-F100 HydrophobicContact CB-CE2 3.11Å; A96-F100 HydrophobicContact CB-CG 4.42Å; A96-F100 HydrophobicContact CB-CZ 3.2Å; G97-F100 VanDerWaalsContact N-CE2 3.33Å; G97-F100 WeakPolarHBondContact O-CD2 3.32Å; G97-F100 WeakPolarHBondContact O-CE2 3.42Å; Q98-F100 PolarHBondContact O-N 2.94Å; Q98-F100 VanDerWaalsContact O-N 3.1Å; F100-Q102 PolarHBondContact O-N 2.85Å; F100-Q102 VanDerWaalsContact O-N 3.12Å; F100-L103 HydrophobicContact CD1-CB 3.49Å; F100-L103 VanDerWaalsContact CD1-CB 3.49Å; F100-L103 WeakPolarHBondContact CD1-O 3.26Å; F100-L103 HydrophobicContact CE1-CB 3.76Å; F100-P106 HydrophobicContact CE1-CB 4.26Å; F100-P106 HydrophobicContact CZ-CB 4.15Å
101	G	44.4	Very low	72.9	Confident	44 Å²	44	49.5 Å²	49.5	45%	0.454	31%	0.309	S	S	.	.	S	Bend	trans	-70.9	5.9	173.1	0	0	0	0	0	114	N61 N99	N61-G101 WeakPolarHBondContact CB-O 3.49Å; N61-G101 PolarHBondContact ND2-O 3.1Å; N99-G101 PolarHBondContact O-N 3.12Å
102	Q	46.7	Very low	72.9	Confident	103 Å²	103	51.2 Å²	51.2	48%	0.481	32%	0.32	S	S	.	.	S	Bend	trans	-144.9	-13	-178.3	-82.9	170.5	18.6	0	0	114.8	K74 F100	K74-Q102 HydrophobicContact CD-CB 4.26Å; K74-Q102 WeakPolarHBondContact CD-O 3.16Å; K74-Q102 HydrophobicContact CG-CB 4.22Å; F100-Q102 PolarHBondContact O-N 2.85Å; F100-Q102 VanDerWaalsContact O-N 3.12Å
103	L	50.1	Low	73	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	32%	0.318	C	S	.	.			trans	-135.2	100.2	-172.5	-83.1	173.9	0	0	0	110.7	I53 K74 F100 A105	I53-L103 HydrophobicContact CD1-CD1 4.11Å; K74-L103 HydrophobicContact CB-CD1 3.78Å; K74-L103 HydrophobicContact CB-CD2 3.79Å; K74-L103 HydrophobicContact CB-CG 3.64Å; K74-L103 HydrophobicContact CD-CD2 3.74Å; K74-L103 HydrophobicContact CD-CG 4.03Å; K74-L103 HydrophobicContact CG-CD2 4.42Å; K74-L103 HydrophobicContact CG-CG 4.41Å; F100-L103 HydrophobicContact CD1-CB 3.49Å; F100-L103 VanDerWaalsContact CD1-CB 3.49Å; F100-L103 WeakPolarHBondContact CD1-O 3.26Å; F100-L103 HydrophobicContact CE1-CB 3.76Å; L103-A105 WeakPolarHBondContact CB-O 3.35Å; L103-A105 PolarHBondContact O-N 3.15Å; L103-A105 VanDerWaalsContact O-N 3.07Å
104	P	50.3	Low	73.1	Confident	73 Å²	73	51.1 Å²	51.1	47%	0.474	32%	0.319	S	S	.	.	S	Bend	trans	-67.1	-8.5	173.4	27.9	-28.6	0	0	0	112.5	R58	R58-P104 HydrophobicContact CB-CG 3.64Å; R58-P104 HydrophobicContact CG-CG 3.98Å; R58-P104 WeakPolarHBondContact O-CD 3.24Å
105	A	60.4	Low	73.2	Confident	48 Å²	48	53.4 Å²	53.4	40%	0.397	33%	0.334	S	S	.	.	S	Bend	trans	-137	144	175.8	0	0	0	0	0	110.1	L103 G107	L103-A105 WeakPolarHBondContact CB-O 3.35Å; L103-A105 PolarHBondContact O-N 3.15Å; L103-A105 VanDerWaalsContact O-N 3.07Å; A105-G107 PolarHBondContact O-N 3.48Å
106	P	60.2	Low	73.5	Confident	13 Å²	13	52 Å²	52	8%	0.084	33%	0.332	C	S	.	.	S	Bend	trans	-80.4	38	-168.5	33	-35.4	0	0	0	115	I53 A96 F100 V139 Y141	I53-P106 VanDerWaalsContact CB-O 3.26Å; I53-P106 WeakPolarHBondContact CB-O 3.01Å; I53-P106 HydrophobicContact CD1-CB 3.66Å; I53-P106 WeakPolarHBondContact CD1-O 3.44Å; I53-P106 WeakPolarHBondContact CG2-O 3.15Å; A96-P106 HydrophobicContact CB-CB 4.47Å; F100-P106 HydrophobicContact CE1-CB 4.26Å; F100-P106 HydrophobicContact CZ-CB 4.15Å; P106-V139 HydrophobicContact CB-CG2 4.42Å; P106-V139 HydrophobicContact CG-CB 3.5Å; P106-V139 VanDerWaalsContact CG-CB 3.5Å; P106-V139 HydrophobicContact CG-CG1 4.07Å; P106-V139 HydrophobicContact CG-CG2 3.01Å; P106-Y141 PolarHBondContact O-OH 2.86Å
107	G	70.8	Confident	73.9	Confident	10 Å²	10	54.3 Å²	54.3	10%	0.103	35%	0.346	C	S	.	.	S	Bend	trans	127.9	170.6	-178.3	0	0	0	0	0	111.6	A105	A105-G107 PolarHBondContact O-N 3.48Å
108	D	83.8	Confident	74.8	Confident	54 Å²	54	59.8 Å²	59.8	29%	0.289	36%	0.363	S	S	.	.			trans	-92.2	146.8	174.1	-57.2	-29.3	0	0	0	109.8	G55 Y56 G57 G110 G111 V125	G55-D108 WeakPolarHBondContact CA-OD2 3.41Å; Y56-D108 PolarHBondContact N-OD2 3.5Å; G57-D108 WeakPolarHBondContact CA-OD1 3.09Å; G57-D108 PolarHBondContact N-OD1 2.91Å; D108-G110 PolarHBondContact O-N 2.91Å; D108-G111 WeakPolarHBondContact O-CA 3.31Å; D108-G111 PolarHBondContact O-N 2.93Å; D108-V125 VanDerWaalsContact O-CB 3.23Å; D108-V125 WeakPolarHBondContact O-CB 3.42Å; D108-V125 WeakPolarHBondContact O-CG2 3.49Å
109	S	89.3	Confident	76.4	Confident	105 Å²	105	51.8 Å²	51.8	73%	0.734	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	132.4	174.2	-66.5	0	0	0	0	111.1	G111 S126	S109-G111 VanDerWaalsContact C-N 3.26Å; S109-G111 PolarHBondContact O-N 2.89Å; S109-S126 PolarHBondContact OG-O 2.82Å
110	G	92.8	Very high	78.4	Confident	54 Å²	54	45.2 Å²	45.2	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-7.9	-172.1	0	0	0	0	0	114.9	D108 V125	D108-G110 PolarHBondContact O-N 2.91Å; G110-V125 PolarHBondContact N-O 3Å
111	G	92.9	Very high	80.4	Confident	12 Å²	12	44.2 Å²	44.2	12%	0.124	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71.5	160.3	178.4	0	0	0	0	0	113.3	D108 S109 V124 V125	D108-G111 WeakPolarHBondContact O-CA 3.31Å; D108-G111 PolarHBondContact O-N 2.93Å; S109-G111 VanDerWaalsContact C-N 3.26Å; S109-G111 PolarHBondContact O-N 2.89Å; G111-V124 CarbonylContact O-C 3.4Å; G111-V124 WeakPolarHBondContact O-CA 3.35Å; G111-V125 WeakPolarHBondContact O-CG2 2.86Å; G111-V125 PolarHBondContact O-N 2.96Å
112	P	95.3	Very high	82.9	Confident	38 Å²	38	42.4 Å²	42.4	25%	0.247	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.3	-174.9	34.5	-35.7	0	0	0	113.5	V54 L114 V121 G123	V54-P112 HydrophobicContact CG2-CG 3.71Å; P112-L114 HydrophobicContact CB-CD1 4.45Å; P112-L114 HydrophobicContact CB-CD2 3.94Å; P112-L114 HydrophobicContact CB-CG 4Å; P112-L114 HydrophobicContact CG-CD1 4.11Å; P112-L114 HydrophobicContact CG-CD2 4.44Å; P112-L114 HydrophobicContact CG-CG 4.19Å; P112-V121 HydrophobicContact CB-CG1 3.92Å; P112-G123 CarbonylContact C-O 3.46Å; P112-G123 WeakPolarHBondContact CA-O 3.4Å
113	L	95.1	Very high	85.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.2	159.8	-167.3	66	0	0	0	109.5	V51 I53 I80 I92 V94 L122 G123 Y141	V51-L113 HydrophobicContact CB-CD1 3.99Å; V51-L113 HydrophobicContact CB-CG 4.27Å; V51-L113 HydrophobicContact CG1-CG 4.44Å; V51-L113 HydrophobicContact CG2-CD1 3.65Å; V51-L113 HydrophobicContact CG2-CG 4.29Å; I53-L113 HydrophobicContact CG2-CD1 3.82Å; I80-L113 HydrophobicContact CG1-CD2 4.49Å; I92-L113 HydrophobicContact CD1-CD2 4.43Å; I92-L113 HydrophobicContact CG2-CD2 3.95Å; V94-L113 HydrophobicContact CG1-CD1 4.4Å; V94-L113 HydrophobicContact CG2-CD1 4Å; V94-L113 HydrophobicContact CG2-CD2 3.71Å; L113-L122 HydrophobicContact CB-CB 4.49Å; L113-L122 HydrophobicContact CD2-CB 4.48Å; L113-L122 PolarHBondContact O-N 2.64Å; L113-G123 PolarHBondContact N-O 3.4Å; L113-Y141 HydrophobicContact CB-CD1 3.58Å; L113-Y141 HydrophobicContact CB-CE1 3.66Å; L113-Y141 HydrophobicContact CB-CG 4.27Å; L113-Y141 HydrophobicContact CD1-CD1 4.37Å; L113-Y141 HydrophobicContact CD1-CE1 3.88Å; L113-Y141 HydrophobicContact CD1-CE2 4.23Å; L113-Y141 HydrophobicContact CD2-CD1 4.37Å; L113-Y141 HydrophobicContact CD2-CD2 4.44Å; L113-Y141 HydrophobicContact CD2-CG 4.25Å; L113-Y141 HydrophobicContact CG-CD1 4.33Å; L113-Y141 HydrophobicContact CG-CE1 4.28Å
114	L	95.6	Very high	87.4	Confident	8 Å²	8	38.5 Å²	38.5	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.8	-169.2	-61.7	174.2	0	0	0	111.4	I36 V51 F52 V54 P112 S116 V121	I36-L114 HydrophobicContact CD1-CD2 4.32Å; I36-L114 HydrophobicContact CG2-CD2 4.39Å; V51-L114 CarbonylContact C-O 3.56Å; V51-L114 WeakPolarHBondContact CA-O 3.03Å; F52-L114 HydrophobicContact CB-CB 4.37Å; F52-L114 PolarHBondContact N-O 2.47Å; F52-L114 PolarHBondContact O-N 2.75Å; V54-L114 HydrophobicContact CG2-CD1 4.46Å; P112-L114 HydrophobicContact CB-CD1 4.45Å; P112-L114 HydrophobicContact CB-CD2 3.94Å; P112-L114 HydrophobicContact CB-CG 4Å; P112-L114 HydrophobicContact CG-CD1 4.11Å; P112-L114 HydrophobicContact CG-CD2 4.44Å; P112-L114 HydrophobicContact CG-CG 4.19Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 WeakPolarHBondContact CB-O 3.33Å; L114-V121 HydrophobicContact CD2-CG2 4.27Å
115	P	95.4	Very high	89.4	Confident	48 Å²	48	35.4 Å²	35.4	31%	0.312	24%	0.235	S	C	.	.	S	Bend	trans	-78.3	-25.9	171.9	28.7	-24.4	0	0	0	111.2	F52 G119 P120 L122	F52-P115 WeakPolarHBondContact CD2-O 3.44Å; F52-P115 WeakPolarHBondContact CE2-O 2.83Å; P115-G119 WeakPolarHBondContact CG-O 3.24Å; P115-P120 WeakPolarHBondContact CD-O 3.39Å; P115-P120 HydrophobicContact CG-CG 4.42Å; P115-L122 HydrophobicContact CB-CD1 3.89Å; P115-L122 HydrophobicContact CG-CD1 3.85Å; P115-L122 HydrophobicContact CG-CD2 4.45Å; P115-L122 HydrophobicContact CG-CG 4.15Å
116	S	94.1	Very high	91	Very high	34 Å²	34	33.6 Å²	33.6	24%	0.238	22%	0.219	C	C	.	.	S	Bend	trans	-146.7	160.6	176.1	78.7	0	0	0	0	109.6	L114 Q118 G119	L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 WeakPolarHBondContact CB-O 3.33Å; S116-Q118 PolarHBondContact O-N 2.97Å; S116-Q118 PolarHBondContact OG-N 2.9Å; S116-Q118 PolarHBondContact OG-OE1 2.86Å; S116-G119 PolarHBondContact O-N 2.81Å; S116-G119 PolarHBondContact OG-N 2.88Å; S116-G119 PolarHBondContact OG-O 3.18Å
117	P	89.7	Confident	92.2	Very high	70 Å²	70	35.6 Å²	35.6	46%	0.455	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.1	172.9	-24.4	34.9	0	0	0	114.7
118	Q	92.5	Very high	92.8	Very high	146 Å²	146	36.9 Å²	36.9	68%	0.682	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-4.1	178.9	-63.3	74.1	29.7	0	0	113.1	S116	S116-Q118 PolarHBondContact O-N 2.97Å; S116-Q118 PolarHBondContact OG-N 2.9Å; S116-Q118 PolarHBondContact OG-OE1 2.86Å
119	G	94.3	Very high	92.7	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	23%	0.233	C	C	.	.			trans	92.8	-163.8	-176.6	0	0	0	0	0	114.6	P115 S116	P115-G119 WeakPolarHBondContact CG-O 3.24Å; S116-G119 PolarHBondContact O-N 2.81Å; S116-G119 PolarHBondContact OG-N 2.88Å; S116-G119 PolarHBondContact OG-O 3.18Å
120	P	97	Very high	92.2	Very high	26 Å²	26	34.5 Å²	34.5	17%	0.169	22%	0.224	C	C	.	.			cis	-69.3	173.2	-0.1	30	-37.7	0	0	0	114	S37 P39 P115 L122	S37-P120 WeakPolarHBondContact O-CA 3.22Å; S37-P120 WeakPolarHBondContact O-CB 3.18Å; P39-P120 HydrophobicContact CB-CB 4.21Å; P39-P120 HydrophobicContact CB-CG 4.28Å; P115-P120 WeakPolarHBondContact CD-O 3.39Å; P115-P120 HydrophobicContact CG-CG 4.42Å; P120-L122 HydrophobicContact CG-CD2 4.12Å; P120-L122 PolarHBondContact O-N 3.39Å
121	V	96.8	Very high	91.5	Very high	27 Å²	27	33.2 Å²	33.2	16%	0.164	20%	0.204	C	C	.	.			trans	-78.2	100	171.6	-173.2	0	0	0	0	109.9	I36 S37 P39 P112 L114 V144	I36-V121 HydrophobicContact CB-CG2 4.08Å; I36-V121 HydrophobicContact CG2-CG2 3.64Å; S37-V121 PolarHBondContact O-N 2.84Å; S37-V121 VanDerWaalsContact O-N 3.1Å; P39-V121 VanDerWaalsContact CD-O 3.24Å; P39-V121 WeakPolarHBondContact CD-O 3.36Å; P39-V121 WeakPolarHBondContact CG-O 3.34Å; P112-V121 HydrophobicContact CB-CG1 3.92Å; L114-V121 HydrophobicContact CD2-CG2 4.27Å; V121-V144 HydrophobicContact CG1-CG2 4.04Å; V121-V144 WeakPolarHBondContact O-CB 3.34Å
122	L	97.1	Very high	90.6	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	24%	0.239	C	C	.	.			trans	-75.2	-34	-176.8	-61.6	172.8	0	0	0	112.5	D43 P45 V51 L113 P115 P120 V144	D43-L122 HydrophobicContact CB-CD2 4.27Å; D43-L122 WeakPolarHBondContact O-CD2 3.43Å; P45-L122 HydrophobicContact CG-CD1 4.15Å; V51-L122 HydrophobicContact CG1-CD1 4.19Å; L113-L122 HydrophobicContact CB-CB 4.49Å; L113-L122 HydrophobicContact CD2-CB 4.48Å; L113-L122 PolarHBondContact O-N 2.64Å; P115-L122 HydrophobicContact CB-CD1 3.89Å; P115-L122 HydrophobicContact CG-CD1 3.85Å; P115-L122 HydrophobicContact CG-CD2 4.45Å; P115-L122 HydrophobicContact CG-CG 4.15Å; P120-L122 HydrophobicContact CG-CD2 4.12Å; P120-L122 PolarHBondContact O-N 3.39Å; L122-V144 PolarHBondContact O-N 2.03Å; L122-V144 VanDerWaalsContact O-N 3.07Å
123	G	96	Very high	89.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.9	-176.1	0	0	0	0	0	113.1	P112 L113 A142	P112-G123 CarbonylContact C-O 3.46Å; P112-G123 WeakPolarHBondContact CA-O 3.4Å; L113-G123 PolarHBondContact N-O 3.4Å; G123-A142 CarbonylContact C-O 3.59Å; G123-A142 WeakPolarHBondContact CA-O 3.43Å
124	V	95.6	Very high	88.5	Confident	26 Å²	26	45.6 Å²	45.6	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.5	177.9	178.1	0	0	0	0	108.7	I18 G111 S126 Y141 A142 V144	I18-V124 HydrophobicContact CG1-CG2 4.48Å; G111-V124 CarbonylContact O-C 3.4Å; G111-V124 WeakPolarHBondContact O-CA 3.35Å; V124-S126 PolarHBondContact O-N 3.1Å; V124-Y141 VanDerWaalsContact C-CD1 3.47Å; V124-Y141 CarbonylContact O-C 3.54Å; V124-Y141 WeakPolarHBondContact O-CA 3.27Å; V124-Y141 WeakPolarHBondContact O-CB 3.28Å; V124-A142 PolarHBondContact N-O 2.72Å; V124-A142 PolarHBondContact O-N 3.07Å; V124-V144 HydrophobicContact CG2-CG2 3.97Å
125	V	93.3	Very high	87.2	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	122.7	-178.3	179.2	0	0	0	0	109.3	D108 G110 G111 V139 Y141	D108-V125 VanDerWaalsContact O-CB 3.23Å; D108-V125 WeakPolarHBondContact O-CB 3.42Å; D108-V125 WeakPolarHBondContact O-CG2 3.49Å; G110-V125 PolarHBondContact N-O 3Å; G111-V125 WeakPolarHBondContact O-CG2 2.86Å; G111-V125 PolarHBondContact O-N 2.96Å; V125-V139 HydrophobicContact CG1-CG1 4Å; V125-Y141 HydrophobicContact CB-CD1 4.29Å; V125-Y141 HydrophobicContact CB-CE1 3.98Å; V125-Y141 HydrophobicContact CG2-CD1 3.9Å; V125-Y141 HydrophobicContact CG2-CE1 3.15Å; V125-Y141 VanDerWaalsContact N-CD1 3.33Å
126	S	92.8	Very high	86.1	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-82.9	172.8	176.3	0	0	0	0	110.1	S14 D17 S109 V124 E140	S14-S126 WeakPolarHBondContact CB-OG 3.46Å; S14-S126 PolarHBondContact OG-OG 3.22Å; D17-S126 WeakPolarHBondContact CB-OG 3.39Å; D17-S126 WeakPolarHBondContact OD2-CA 3.38Å; D17-S126 WeakPolarHBondContact OD2-CB 3.37Å; D17-S126 PolarHBondContact OD2-OG 3.05Å; S109-S126 PolarHBondContact OG-O 2.82Å; V124-S126 PolarHBondContact O-N 3.1Å; S126-E140 WeakPolarHBondContact CB-O 3.39Å; S126-E140 PolarHBondContact N-O 3.23Å
127	H	86.1	Confident	85.3	Confident	55 Å²	55	53.7 Å²	53.7	26%	0.255	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.3	-176.2	79.7	-82.6	0	0	0	113.3	T12 S14 V129 V139 E140	T12-H127 WeakPolarHBondContact CG2-CE1 3.3Å; T12-H127 VanDerWaalsContact CG2-NE2 3.33Å; T12-H127 WeakPolarHBondContact CG2-NE2 3.48Å; S14-H127 PolarHBondContact OG-CE1 3.23Å; S14-H127 PolarHBondContact OG-ND1 2.99Å; H127-V129 VanDerWaalsContact NE2-CG2 3.32Å; H127-V129 WeakPolarHBondContact NE2-CG2 3.45Å; H127-V139 WeakPolarHBondContact O-CA 3.5Å; H127-E140 IonicContact CE1-OE2 3.31Å; H127-E140 PolarHBondContact CE1-OE2 3.43Å; H127-E140 IonicContact ND1-OE2 2.75Å; H127-E140 IonicContact NE2-OE2 3.92Å; H127-E140 PolarHBondContact O-N 3.39Å
128	G	83.6	Confident	85.1	Confident	38 Å²	38	50.4 Å²	50.4	39%	0.392	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.1	177	0	0	0	0	0	114.3	I138	G128-I138 CarbonylContact C-O 3.49Å; G128-I138 WeakPolarHBondContact CA-O 3.49Å
129	V	80.3	Confident	84.9	Confident	19 Å²	19	43.7 Å²	43.7	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.2	177.7	-176.3	0	0	0	0	108.9	T12 H127 L131 I138 E140	T12-V129 HydrophobicContact CG2-CG2 4.22Å; H127-V129 VanDerWaalsContact NE2-CG2 3.32Å; H127-V129 WeakPolarHBondContact NE2-CG2 3.45Å; V129-L131 HydrophobicContact CG1-CD2 3.61Å; V129-L131 HydrophobicContact CG1-CG 4.14Å; V129-I138 PolarHBondContact N-O 3.11Å; V129-I138 PolarHBondContact O-N 3.24Å; V129-E140 HydrophobicContact CG2-CG 4.05Å
130	T	80.7	Confident	84.8	Confident	89 Å²	89	43.3 Å²	43.3	55%	0.546	26%	0.26	S	S	.	.			trans	-104.5	122.5	170.3	-52	0	0	0	0	108.2
131	L	77.9	Confident	84.6	Confident	27 Å²	27	42 Å²	42	14%	0.141	25%	0.252	C	S	.	.			trans	-105.4	142	178.1	-59.4	-177.4	0	0	0	110.3	R84 H85 V129 N133 L134 I138	R84-L131 HydrophobicContact CB-CD1 4.03Å; H85-L131 HydrophobicContact CB-CD1 4.49Å; H85-L131 HydrophobicContact CB-CD2 3.83Å; V129-L131 HydrophobicContact CG1-CD2 3.61Å; V129-L131 HydrophobicContact CG1-CG 4.14Å; L131-N133 PolarHBondContact O-N 3.1Å; L131-N133 VanDerWaalsContact O-N 3.1Å; L131-L134 HydrophobicContact CB-CB 4.3Å; L131-L134 HydrophobicContact CB-CD1 4.38Å; L131-L134 HydrophobicContact CD1-CD1 3.88Å; L131-L134 PolarHBondContact O-N 2.66Å; L131-L134 VanDerWaalsContact O-N 3.15Å; L131-I138 HydrophobicContact CD1-CD1 3.63Å; L131-I138 HydrophobicContact CG-CD1 4.25Å
132	P	74	Confident	84.6	Confident	131 Å²	131	40.8 Å²	40.8	85%	0.851	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.4	-178.4	-27.3	34.4	0	0	0	114.8
133	N	75.9	Confident	84.6	Confident	156 Å²	156	40.5 Å²	40.5	83%	0.834	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	11.4	-175.1	-61.4	-29.5	0	0	0	113.5	L131	L131-N133 PolarHBondContact O-N 3.1Å; L131-N133 VanDerWaalsContact O-N 3.1Å
134	L	69.1	Low	84.6	Confident	24 Å²	24	40.8 Å²	40.8	13%	0.126	24%	0.244	C	C	.	.			trans	-126.9	119.6	172.1	-89.6	121.8	0	0	0	109	M81 L131 D136 I138	M81-L134 HydrophobicContact CE-CD2 4.31Å; L131-L134 HydrophobicContact CB-CB 4.3Å; L131-L134 HydrophobicContact CB-CD1 4.38Å; L131-L134 HydrophobicContact CD1-CD1 3.88Å; L131-L134 PolarHBondContact O-N 2.66Å; L131-L134 VanDerWaalsContact O-N 3.15Å; L134-D136 PolarHBondContact O-N 3.49Å; L134-I138 HydrophobicContact CD1-CD1 4.2Å
135	P	68.6	Low	84.7	Confident	125 Å²	125	39.9 Å²	39.9	81%	0.812	24%	0.24	S	C	*	.	S	Bend	trans	-66.4	-23.1	-179	27.7	-34.6	0	0	0	112.3
136	D	72.6	Confident	84.8	Confident	52 Å²	52	44 Å²	44	28%	0.278	26%	0.255	S	S	.	.	S	Bend	trans	-98.9	148.2	-175.4	-56.6	-49.8	0	0	0	111.7	K95 L134 I138	K95-D136 WeakPolarHBondContact CE-OD2 3.5Å; K95-D136 IonicContact NZ-OD2 2.66Å; K95-D136 PolarHBondContact NZ-OD2 3.46Å; L134-D136 PolarHBondContact O-N 3.49Å; D136-I138 PolarHBondContact O-N 3.24Å
137	I	77.4	Confident	85	Confident	83 Å²	83	44.9 Å²	44.9	43%	0.426	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-70	128.5	172.2	-61.6	172.8	0	0	0	108.9	V139	I137-V139 HydrophobicContact CG2-CG2 4.02Å
138	I	85.5	Confident	85.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.7	166.1	-65.5	169.7	0	0	0	107.1	M81 C93 G128 V129 L131 L134 D136	M81-I138 HydrophobicContact CE-CD1 3.81Å; M81-I138 HydrophobicContact CE-CG1 4.37Å; M81-I138 HydrophobicContact SD-CD1 3.91Å; M81-I138 HydrophobicContact SD-CG1 3.83Å; C93-I138 HydrophobicContact CB-CG2 3.74Å; G128-I138 CarbonylContact C-O 3.49Å; G128-I138 WeakPolarHBondContact CA-O 3.49Å; V129-I138 PolarHBondContact N-O 3.11Å; V129-I138 PolarHBondContact O-N 3.24Å; L131-I138 HydrophobicContact CD1-CD1 3.63Å; L131-I138 HydrophobicContact CG-CD1 4.25Å; L134-I138 HydrophobicContact CD1-CD1 4.2Å; D136-I138 PolarHBondContact O-N 3.24Å
139	V	88.1	Confident	86	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.03	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132	170.5	172.9	0	0	0	0	110.6	V94 P106 V125 H127 I137 Y141	V94-V139 PolarHBondContact N-O 3.35Å; V94-V139 PolarHBondContact O-N 3.22Å; P106-V139 HydrophobicContact CB-CG2 4.42Å; P106-V139 HydrophobicContact CG-CB 3.5Å; P106-V139 VanDerWaalsContact CG-CB 3.5Å; P106-V139 HydrophobicContact CG-CG1 4.07Å; P106-V139 HydrophobicContact CG-CG2 3.01Å; V125-V139 HydrophobicContact CG1-CG1 4Å; H127-V139 WeakPolarHBondContact O-CA 3.5Å; I137-V139 HydrophobicContact CG2-CG2 4.02Å; V139-Y141 HydrophobicContact CB-CE2 4.1Å; V139-Y141 HydrophobicContact CG1-CD2 4.11Å; V139-Y141 HydrophobicContact CG1-CE2 3.57Å
140	E	91.9	Very high	86.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.8	176	-66	-171.3	155.9	0	0	109.7	T12 S14 H85 T87 P91 I92 S126 H127 V129	T12-E140 WeakPolarHBondContact CB-OE2 3.37Å; T12-E140 PolarHBondContact OG1-OE1 2.86Å; T12-E140 PolarHBondContact OG1-OE2 2.89Å; S14-E140 WeakPolarHBondContact CB-OE2 3.04Å; S14-E140 PolarHBondContact OG-OE2 3.13Å; H85-E140 IonicContact CD2-OE1 2.68Å; H85-E140 IonicContact CE1-OE1 3.73Å; H85-E140 IonicContact NE2-OE1 3.36Å; H85-E140 PolarHBondContact NE2-OE1 2.99Å; T87-E140 VanDerWaalsContact CG2-OE1 3.31Å; T87-E140 WeakPolarHBondContact CG2-OE1 3.02Å; P91-E140 HydrophobicContact CB-CB 4.09Å; P91-E140 HydrophobicContact CB-CG 4.42Å; P91-E140 HydrophobicContact CG-CB 4.43Å; P91-E140 HydrophobicContact CG-CG 4.25Å; I92-E140 CarbonylContact O-C 3.58Å; I92-E140 WeakPolarHBondContact O-CA 3.41Å; S126-E140 WeakPolarHBondContact CB-O 3.39Å; S126-E140 PolarHBondContact N-O 3.23Å; H127-E140 IonicContact CE1-OE2 3.31Å; H127-E140 PolarHBondContact CE1-OE2 3.43Å; H127-E140 IonicContact ND1-OE2 2.75Å; H127-E140 IonicContact NE2-OE2 3.92Å; H127-E140 PolarHBondContact O-N 3.39Å; V129-E140 HydrophobicContact CG2-CG 4.05Å
141	Y	94.3	Very high	87.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	172.3	-66.9	-111.3	0	0	0	108.9	I53 P91 I92 V94 P106 L113 V124 V125 V139 S143	I53-Y141 WeakPolarHBondContact CG2-OH 3.06Å; P91-Y141 CarbonylContact C-O 3.56Å; P91-Y141 WeakPolarHBondContact CA-O 3.25Å; P91-Y141 WeakPolarHBondContact CB-O 3.29Å; I92-Y141 PolarHBondContact N-O 2.84Å; I92-Y141 PolarHBondContact O-N 2.85Å; V94-Y141 HydrophobicContact CB-CD2 4.03Å; V94-Y141 HydrophobicContact CB-CE2 3.66Å; V94-Y141 HydrophobicContact CG1-CE2 4.24Å; V94-Y141 HydrophobicContact CG2-CD2 3.53Å; V94-Y141 HydrophobicContact CG2-CE2 3.57Å; P106-Y141 PolarHBondContact O-OH 2.86Å; L113-Y141 HydrophobicContact CB-CD1 3.58Å; L113-Y141 HydrophobicContact CB-CE1 3.66Å; L113-Y141 HydrophobicContact CB-CG 4.27Å; L113-Y141 HydrophobicContact CD1-CD1 4.37Å; L113-Y141 HydrophobicContact CD1-CE1 3.88Å; L113-Y141 HydrophobicContact CD1-CE2 4.23Å; L113-Y141 HydrophobicContact CD2-CD1 4.37Å; L113-Y141 HydrophobicContact CD2-CD2 4.44Å; L113-Y141 HydrophobicContact CD2-CG 4.25Å; L113-Y141 HydrophobicContact CG-CD1 4.33Å; L113-Y141 HydrophobicContact CG-CE1 4.28Å; V124-Y141 VanDerWaalsContact C-CD1 3.47Å; V124-Y141 CarbonylContact O-C 3.54Å; V124-Y141 WeakPolarHBondContact O-CA 3.27Å; V124-Y141 WeakPolarHBondContact O-CB 3.28Å; V125-Y141 HydrophobicContact CB-CD1 4.29Å; V125-Y141 HydrophobicContact CB-CE1 3.98Å; V125-Y141 HydrophobicContact CG2-CD1 3.9Å; V125-Y141 HydrophobicContact CG2-CE1 3.15Å; V125-Y141 VanDerWaalsContact N-CD1 3.33Å; V139-Y141 HydrophobicContact CB-CE2 4.1Å; V139-Y141 HydrophobicContact CG1-CD2 4.11Å; V139-Y141 HydrophobicContact CG1-CE2 3.57Å; Y141-S143 PolarHBondContact O-N 3.46Å
142	A	95.8	Very high	88.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.5	164.4	0	0	0	0	0	108.2	S14 D17 I18 G123 V124 V144	S14-A142 VanDerWaalsContact O-CA 3.32Å; S14-A142 WeakPolarHBondContact O-CA 3.06Å; S14-A142 VanDerWaalsContact O-CB 3.28Å; S14-A142 WeakPolarHBondContact O-CB 3.39Å; D17-A142 WeakPolarHBondContact O-CB 3.42Å; I18-A142 HydrophobicContact CB-CB 4.49Å; G123-A142 CarbonylContact C-O 3.59Å; G123-A142 WeakPolarHBondContact CA-O 3.43Å; V124-A142 PolarHBondContact N-O 2.72Å; V124-A142 PolarHBondContact O-N 3.07Å; A142-V144 PolarHBondContact O-N 3.26Å
143	S	96.7	Very high	89.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.1	-178.6	176.2	0	0	0	0	110.2	Y141 A145 R146 M147	Y141-S143 PolarHBondContact O-N 3.46Å; S143-A145 VanDerWaalsContact C-N 3.3Å; S143-A145 PolarHBondContact O-N 3.31Å; S143-R146 PolarHBondContact O-N 3.34Å; S143-R146 WeakPolarHBondContact OG-CG 3.5Å; S143-R146 PolarHBondContact OG-N 2.97Å; S143-M147 PolarHBondContact O-N 3.45Å
144	V	97.4	Very high	90.3	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.036	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-38.7	178.5	177.9	0	0	0	0	110.7	I18 L38 P39 V121 L122 V124 A142 R146 M147 L148	I18-V144 HydrophobicContact CD1-CG2 4.44Å; L38-V144 HydrophobicContact CD2-CG1 4.03Å; P39-V144 VanDerWaalsContact CD-CG1 3.48Å; P39-V144 HydrophobicContact CG-CB 3.86Å; P39-V144 HydrophobicContact CG-CG1 3.67Å; V121-V144 HydrophobicContact CG1-CG2 4.04Å; V121-V144 WeakPolarHBondContact O-CB 3.34Å; L122-V144 PolarHBondContact O-N 2.03Å; L122-V144 VanDerWaalsContact O-N 3.07Å; V124-V144 HydrophobicContact CG2-CG2 3.97Å; A142-V144 PolarHBondContact O-N 3.26Å; V144-R146 VanDerWaalsContact C-N 3.31Å; V144-R146 PolarHBondContact O-N 2.91Å; V144-M147 CarbonylContact O-C 3.58Å; V144-M147 PolarHBondContact O-N 3.42Å; V144-L148 WeakPolarHBondContact O-CA 3.44Å; V144-L148 PolarHBondContact O-N 3.37Å
145	A	97.3	Very high	91.2	Very high	8 Å²	8	51 Å²	51	7%	0.066	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37.5	176.8	0	0	0	0	0	112.5	P39 I44 S143 L148	P39-A145 HydrophobicContact CB-CB 4.29Å; P39-A145 HydrophobicContact CG-CB 4.07Å; I44-A145 HydrophobicContact CG1-CB 3.93Å; S143-A145 VanDerWaalsContact C-N 3.3Å; S143-A145 PolarHBondContact O-N 3.31Å; A145-L148 WeakPolarHBondContact O-CB 3.39Å
146	R	95.9	Very high	92.3	Very high	96 Å²	96	47.3 Å²	47.3	36%	0.362	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.7	177.6	-65.1	176.5	176.2	150	-3.4	113.1	I44 N90 P91 S143 V144	I44-R146 HydrophobicContact CD1-CG 3.99Å; N90-R146 VanDerWaalsContact C-NH1 3.34Å; N90-R146 PolarHBondContact ND2-NH1 2.99Å; N90-R146 PolarHBondContact ND2-NH2 2.98Å; N90-R146 VanDerWaalsContact ND2-NH2 3.16Å; N90-R146 WeakPolarHBondContact O-CD 3.32Å; N90-R146 PolarHBondContact O-NH1 3.22Å; N90-R146 VanDerWaalsContact OD1-CZ 3.31Å; N90-R146 PolarHBondContact OD1-NH1 3.43Å; N90-R146 PolarHBondContact OD1-NH2 3.37Å; P91-R146 PolarHBondContact O-NH1 3.42Å; S143-R146 PolarHBondContact O-N 3.34Å; S143-R146 WeakPolarHBondContact OG-CG 3.5Å; S143-R146 PolarHBondContact OG-N 2.97Å; V144-R146 VanDerWaalsContact C-N 3.31Å; V144-R146 PolarHBondContact O-N 2.91Å
147	M	95.6	Very high	93.4	Very high	26 Å²	26	47.1 Å²	47.1	13%	0.128	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.4	176.6	-60.9	-158.4	74.8	0	0	112.9	F16 I18 S143 V144 D149 F150 V151	F16-M147 HydrophobicContact CB-CE 4.43Å; F16-M147 HydrophobicContact CD1-CE 4.17Å; I18-M147 HydrophobicContact CB-SD 3.88Å; I18-M147 HydrophobicContact CD1-CB 4.29Å; I18-M147 HydrophobicContact CG2-CE 3.33Å; I18-M147 HydrophobicContact CG2-SD 3.29Å; I18-M147 WeakPolarHBondContact CG2-SD 3.45Å; S143-M147 PolarHBondContact O-N 3.45Å; V144-M147 CarbonylContact O-C 3.58Å; V144-M147 PolarHBondContact O-N 3.42Å; M147-D149 VanDerWaalsContact C-N 3.26Å; M147-D149 PolarHBondContact O-N 2.82Å; M147-F150 HydrophobicContact CE-CB 4.49Å; M147-F150 HydrophobicContact CE-CD1 4.42Å; M147-F150 HydrophobicContact CE-CG 4.47Å; M147-F150 WeakPolarHBondContact O-CB 3.3Å; M147-F150 PolarHBondContact O-N 2.61Å; M147-F150 VanDerWaalsContact O-N 3.11Å; M147-V151 WeakPolarHBondContact O-CG2 3.43Å; M147-V151 PolarHBondContact O-N 3.36Å
148	L	95.8	Very high	94.2	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-33	-169.5	-167.4	62.6	0	0	0	112.6	L38 P41 V144 A145 V151 R152	L38-L148 HydrophobicContact CB-CD1 4.17Å; L38-L148 HydrophobicContact CD1-CD1 4.11Å; P41-L148 HydrophobicContact CG-CD2 3.86Å; V144-L148 WeakPolarHBondContact O-CA 3.44Å; V144-L148 PolarHBondContact O-N 3.37Å; A145-L148 WeakPolarHBondContact O-CB 3.39Å; L148-V151 PolarHBondContact O-N 2.93Å; L148-R152 HydrophobicContact CD1-CG 4.33Å; L148-R152 VanDerWaalsContact CD2-CZ 3.44Å; L148-R152 HydrophobicContact CG-CG 4.25Å; L148-R152 VanDerWaalsContact O-CB 3.28Å; L148-R152 WeakPolarHBondContact O-CB 2.91Å; L148-R152 VanDerWaalsContact O-CG 3.27Å; L148-R152 WeakPolarHBondContact O-CG 3.33Å; L148-R152 PolarHBondContact O-N 2.86Å
149	D	95.7	Very high	94.8	Very high	130 Å²	130	47.6 Å²	47.6	70%	0.695	24%	0.239	S	C	*	.	H	α-helix	trans	-63.1	-47.9	174.7	-67.9	-18.7	0	0	0	111.1	M147 V151 R152 S153	M147-D149 VanDerWaalsContact C-N 3.26Å; M147-D149 PolarHBondContact O-N 2.82Å; D149-V151 VanDerWaalsContact C-N 3.34Å; D149-V151 PolarHBondContact O-N 3.09Å; D149-R152 PolarHBondContact O-N 2.79Å; D149-S153 WeakPolarHBondContact O-CB 3.5Å; D149-S153 PolarHBondContact O-N 2.95Å; D149-S153 PolarHBondContact O-OG 3.32Å; D149-S153 VanDerWaalsContact O-OG 3.07Å
150	F	96	Very high	95.2	Very high	81 Å²	81	50.3 Å²	50.3	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-57.7	-47.2	174.1	168.3	-95.6	0	0	0	111.4	I18 I20 M147 S153 N154	I18-F150 HydrophobicContact CG2-CD1 3.64Å; I18-F150 HydrophobicContact CG2-CE1 3.55Å; I18-F150 HydrophobicContact CG2-CZ 4.47Å; I20-F150 HydrophobicContact CG1-CE1 4.06Å; M147-F150 HydrophobicContact CE-CB 4.49Å; M147-F150 HydrophobicContact CE-CD1 4.42Å; M147-F150 HydrophobicContact CE-CG 4.47Å; M147-F150 WeakPolarHBondContact O-CB 3.3Å; M147-F150 PolarHBondContact O-N 2.61Å; M147-F150 VanDerWaalsContact O-N 3.11Å; F150-S153 PolarHBondContact O-N 3.46Å; F150-N154 PolarHBondContact O-N 3.16Å; F150-N154 PolarHBondContact O-ND2 2.96Å
151	V	96.1	Very high	95.4	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-49.3	180	175.5	0	0	0	0	110.6	I18 I20 L38 M147 L148 D149 S153 N154 I155	I18-V151 HydrophobicContact CD1-CG2 3.6Å; I20-V151 HydrophobicContact CD1-CG1 4.23Å; I20-V151 HydrophobicContact CD1-CG2 4.4Å; L38-V151 HydrophobicContact CD1-CG1 3.82Å; L38-V151 HydrophobicContact CD2-CG1 3.84Å; M147-V151 WeakPolarHBondContact O-CG2 3.43Å; M147-V151 PolarHBondContact O-N 3.36Å; L148-V151 PolarHBondContact O-N 2.93Å; D149-V151 VanDerWaalsContact C-N 3.34Å; D149-V151 PolarHBondContact O-N 3.09Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 2.78Å; V151-N154 PolarHBondContact O-N 3.2Å; V151-I155 HydrophobicContact CG1-CG2 4.46Å; V151-I155 WeakPolarHBondContact O-CG2 3.3Å; V151-I155 PolarHBondContact O-N 2.88Å
152	R	95	Very high	95.5	Very high	120 Å²	120	57.5 Å²	57.5	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-66.7	-29.4	-178.2	-74.9	177.2	173.6	172.3	-2.1	113.3	L148 D149 N154	L148-R152 HydrophobicContact CD1-CG 4.33Å; L148-R152 VanDerWaalsContact CD2-CZ 3.44Å; L148-R152 HydrophobicContact CG-CG 4.25Å; L148-R152 VanDerWaalsContact O-CB 3.28Å; L148-R152 WeakPolarHBondContact O-CB 2.91Å; L148-R152 VanDerWaalsContact O-CG 3.27Å; L148-R152 WeakPolarHBondContact O-CG 3.33Å; L148-R152 PolarHBondContact O-N 2.86Å; D149-R152 PolarHBondContact O-N 2.79Å; R152-N154 VanDerWaalsContact C-N 3.29Å
153	S	96	Very high	95.4	Very high	97 Å²	97	61.9 Å²	61.9	68%	0.678	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.1	176.3	-63.9	0	0	0	0	114.1	D149 F150 V151	D149-S153 WeakPolarHBondContact O-CB 3.5Å; D149-S153 PolarHBondContact O-N 2.95Å; D149-S153 PolarHBondContact O-OG 3.32Å; D149-S153 VanDerWaalsContact O-OG 3.07Å; F150-S153 PolarHBondContact O-N 3.46Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 2.78Å
154	N	94.8	Very high	95.3	Very high	77 Å²	77	67 Å²	67	41%	0.412	34%	0.336	S	S	.	.			trans	-125.6	13.3	-174.8	-69.8	-87	0	0	0	113.8	I20 F150 V151 R152	I20-N154 HydrophobicContact CG1-CB 4.18Å; F150-N154 PolarHBondContact O-N 3.16Å; F150-N154 PolarHBondContact O-ND2 2.96Å; V151-N154 PolarHBondContact O-N 3.2Å; R152-N154 VanDerWaalsContact C-N 3.29Å
155	I	88.3	Confident	95.1	Very high	152 Å²	152	72.5 Å²	72.5	78%	0.779	36%	0.363	S	S	*	.			trans	-112.9	0	170.8	61.1	177.3	0	0	0	110.4	I20 L38 V151	I20-I155 HydrophobicContact CG2-CG2 4.37Å; L38-I155 HydrophobicContact CD1-CD1 4.05Å; V151-I155 HydrophobicContact CG1-CG2 4.46Å; V151-I155 WeakPolarHBondContact O-CG2 3.3Å; V151-I155 PolarHBondContact O-N 2.88Å

Retrieved 155 of 155 residues in 322.6 ms (Link to these results)

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