A0A087XNP6_POEFO Loading...

Ganglioside GM2 activator

AlphaFold DB , UniProt , Accession A0A087XNP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 203 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	37.3	Very low	34.2	Very low	255 Å²	255	149.2 Å²	149.2	100%	1.256	81%	0.812	S	S	*	*				0	132.2	0	-85.8	171.7	166.9	0	0	108.2
2	M	32.8	Very low	34.7	Very low	173 Å²	173	147.1 Å²	147.1	85%	0.852	81%	0.808	S	S	*	*			trans	-98.5	138.6	-166.8	-171.3	160.1	62.4	0	0	110.4
3	N	30.9	Very low	34.9	Very low	115 Å²	115	143.6 Å²	143.6	62%	0.615	81%	0.81	S	S	*	*			trans	137.1	110.9	145.5	-89.4	-8.7	0	0	0	112.8
4	R	36.4	Very low	35	Very low	194 Å²	194	139.6 Å²	139.6	73%	0.732	81%	0.805	S	S	*	*				99.1	140.3	88	-85.5	177.6	179.3	-143.4	-3.7	108.3
5	M	38.2	Very low	35.6	Very low	137 Å²	137	139.7 Å²	139.7	68%	0.675	81%	0.807	S	S	*	*			cis	-162.8	139.8	12.3	-103.1	149.9	170	0	0	104.9
6	A	32.4	Very low	36.2	Very low	103 Å²	103	142.3 Å²	142.3	85%	0.851	81%	0.813	S	S	*	*				34.6	125.2	100.5	0	0	0	0	0	114.5
7	G	32.8	Very low	36.7	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	81%	0.806	S	S	*	*			cis	163.3	-171.8	9.4	0	0	0	0	0	109.2
8	C	35.5	Very low	36.8	Very low	125 Å²	125	144.1 Å²	144.1	85%	0.845	81%	0.811	S	S	*	*			trans	62.8	137.2	167.2	-99.1	0	0	0	0	117.1
9	L	30.6	Very low	36.9	Very low	153 Å²	153	146.3 Å²	146.3	80%	0.801	82%	0.819	S	S	*	*			cis	-160.5	130.7	12.3	-178	63.5	0	0	0	105.6
10	K	35.1	Very low	37.4	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	82%	0.816	S	S	*	*			trans	-62.8	148.7	167.1	-66.1	175.2	174.5	178.6	0	108.4
11	V	33.6	Very low	37.8	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	81%	0.814	S	S	*	*				171.3	111.7	124.5	155.7	0	0	0	0	110
12	T	40.2	Very low	38.2	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	80%	0.795	S	S	*	*			trans	55.7	114.2	144.2	63.3	0	0	0	0	120.2
13	A	38.3	Very low	38.7	Very low	102 Å²	102	133.4 Å²	133.4	84%	0.843	79%	0.79	S	S	*	*				163	77.6	108.6	0	0	0	0	0	110.1
14	A	36.3	Very low	39.3	Very low	88 Å²	88	137.5 Å²	137.5	73%	0.727	80%	0.803	S	S	*	*			trans	-142.7	31.9	166.9	0	0	0	0	0	111.8	M16	A14-M16 PolarHBondContact O-N 3.2Å
15	V	43.5	Very low	39.8	Very low	140 Å²	140	137.2 Å²	137.2	85%	0.848	81%	0.81	S	S	*	*			trans	-84.9	19.5	171.1	-177.6	0	0	0	0	111.1
16	M	45	Very low	39.7	Very low	181 Å²	181	135.5 Å²	135.5	89%	0.892	82%	0.817	S	S	*	*	S	Bend	trans	-114.9	26.5	-175.8	-69.5	-64.8	-76.1	0	0	114.4	A14	A14-M16 PolarHBondContact O-N 3.2Å
17	V	44.6	Very low	40.1	Very low	114 Å²	114	137.1 Å²	137.1	69%	0.691	81%	0.812	S	S	*	*	S	Bend	trans	-129.1	0.1	179.6	-170.6	0	0	0	0	114.1
18	F	38.5	Very low	40.4	Very low	204 Å²	204	140.5 Å²	140.5	90%	0.895	82%	0.823	S	S	*	*	S	Bend	trans	-105.1	22.1	-174.2	-96.9	-79.9	0	0	0	116.6
19	L	38.5	Very low	40.4	Very low	186 Å²	186	142.2 Å²	142.2	97%	0.974	82%	0.818	S	S	*	*	S	Bend	trans	-127.2	41	169.3	-79.4	168.3	0	0	0	111.9
20	A	47.6	Very low	41.1	Very low	91 Å²	91	140 Å²	140	75%	0.752	82%	0.815	S	S	*	*	S	Bend	trans	-133.4	72.7	171.7	0	0	0	0	0	109.2
21	A	46.2	Very low	41.2	Very low	95 Å²	95	140.7 Å²	140.7	79%	0.785	82%	0.819	S	S	*	*	S	Bend	trans	162.3	54.7	156	0	0	0	0	0	112.2
22	V	44.9	Very low	41.7	Very low	139 Å²	139	137.2 Å²	137.2	84%	0.842	81%	0.809	S	S	*	*			trans	-145.9	130.5	158	-157.5	0	0	0	0	108.9
23	V	43	Very low	42	Very low	125 Å²	125	138.7 Å²	138.7	76%	0.758	81%	0.809	S	S	*	*			trans	88.5	76.6	167.5	-155.1	0	0	0	0	115.8
24	F	44.9	Very low	42.3	Very low	201 Å²	201	143 Å²	143	88%	0.882	81%	0.808	S	S	*	*			trans	-40.2	147.6	135.2	-91.8	-102.9	0	0	0	111.5
25	Q	46.2	Very low	42.6	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	81%	0.809	S	S	*	*			trans	96.4	79.5	176.3	-57.8	-179.8	-29.2	0	0	114.9
26	A	37.1	Very low	43.1	Very low	101 Å²	101	147.3 Å²	147.3	84%	0.835	80%	0.804	S	S	*	*			trans	-132.3	130.1	140.8	0	0	0	0	0	107.7
27	N	39.3	Very low	43.3	Very low	138 Å²	138	148.3 Å²	148.3	74%	0.738	80%	0.798	S	S	*	*			trans	-45.7	148.2	-167.1	-75.4	-11.2	0	0	0	115.1	E29	N27-E29 HydrophobicContact CB-CG 4.11Å; N27-E29 PolarHBondContact O-N 3.4Å
28	C	39.1	Very low	43.5	Very low	139 Å²	139	150 Å²	150	94%	0.939	80%	0.803	S	S	*	*			trans	-65.8	66.4	156.6	-159.2	0	0	0	0	108.8	S30	C28-S30 PolarHBondContact O-N 3.09Å
29	E	35.5	Very low	44.1	Very low	162 Å²	162	145 Å²	145	76%	0.757	80%	0.799	S	S	*	*			trans	-80.1	102.2	160	-72.7	-155.6	164.8	0	0	106	N27 F31	N27-E29 HydrophobicContact CB-CG 4.11Å; N27-E29 PolarHBondContact O-N 3.4Å; E29-F31 PolarHBondContact O-N 3.09Å
30	S	45.1	Very low	44.8	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.78	S	S	*	*			trans	4.7	93	157.7	-168.6	0	0	0	0	111.5	C28 G32	C28-S30 PolarHBondContact O-N 3.09Å; S30-G32 PolarHBondContact O-N 3.37Å
31	F	37.5	Very low	44.8	Very low	207 Å²	207	144.7 Å²	144.7	91%	0.908	78%	0.784	S	S	*	*			trans	-60.8	88.9	156.4	-134.5	-92.8	0	0	0	102.9	E29 M33	E29-F31 PolarHBondContact O-N 3.09Å; F31-M33 PolarHBondContact O-N 2.94Å
32	G	45.5	Very low	45.6	Very low	53 Å²	53	142.8 Å²	142.8	55%	0.546	76%	0.761	S	S	.	*			trans	-61.5	88.5	170.4	0	0	0	0	0	103.2	S30 K34	S30-G32 PolarHBondContact O-N 3.37Å; G32-K34 PolarHBondContact O-N 2.79Å
33	M	45.4	Very low	47.3	Very low	155 Å²	155	137 Å²	137	76%	0.764	73%	0.729	S	S	*	*			trans	-51.8	98.7	158.9	-170.7	161.6	67.1	0	0	101.6	F31 R35	F31-M33 PolarHBondContact O-N 2.94Å; M33-R35 PolarHBondContact O-N 2.95Å
34	K	44.5	Very low	49.7	Very low	192 Å²	192	133.4 Å²	133.4	84%	0.835	70%	0.703	S	S	*	*			trans	-60.9	90.1	162.4	-80.7	-171.8	179.8	-179.9	0	101.6	G32 V36	G32-K34 PolarHBondContact O-N 2.79Å; K34-V36 PolarHBondContact O-N 2.78Å
35	R	43.7	Very low	52.1	Low	195 Å²	195	124.9 Å²	124.9	74%	0.736	67%	0.672	S	S	*	*			trans	-61.5	86.7	163.5	-169	-177.7	-141.2	168.1	5.2	101.5	M33 R37	M33-R35 PolarHBondContact O-N 2.95Å; R35-R37 HydrophobicContact CG-CG 4.28Å; R35-R37 PolarHBondContact O-N 3.36Å
36	V	52.9	Low	54.6	Low	123 Å²	123	119.6 Å²	119.6	75%	0.745	64%	0.644	S	S	*	*			trans	-61.8	87.3	153.7	-173.8	0	0	0	0	101.2	K34 N38	K34-V36 PolarHBondContact O-N 2.78Å; V36-N38 PolarHBondContact O-N 2.04Å
37	R	49.9	Very low	57.5	Low	203 Å²	203	120.8 Å²	120.8	77%	0.766	63%	0.631	S	S	*	*			trans	-47.6	118	160.4	-83	-178.2	161.3	-173.2	-4.4	102.4	R35 A39	R35-R37 HydrophobicContact CG-CG 4.28Å; R35-R37 PolarHBondContact O-N 3.36Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.87Å
38	N	48.7	Very low	60.3	Low	149 Å²	149	117.5 Å²	117.5	80%	0.797	61%	0.613	S	S	*	*			trans	-37.7	105.9	166	-85.8	-60	0	0	0	106.7	V36 K40	V36-N38 PolarHBondContact O-N 2.04Å; N38-K40 PolarHBondContact O-N 2.84Å
39	A	51.1	Low	63.1	Low	99 Å²	99	112.8 Å²	112.8	82%	0.818	58%	0.581	S	S	*	*			trans	-77.7	62.3	174.8	0	0	0	0	0	106.5	R37 V41	R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.87Å; A39-V41 VanDerWaalsContact C-N 3.34Å
40	K	52.2	Low	66	Low	133 Å²	133	106.2 Å²	106.2	58%	0.578	56%	0.556	S	S	*	*			trans	-98.8	74.3	161.6	-87.6	-163.4	169.5	-159.5	0	106.7	N38 E99	N38-K40 PolarHBondContact O-N 2.84Å; K40-E99 IonicContact NZ-OE1 3.63Å; K40-E99 PolarHBondContact NZ-OE1 2.86Å; K40-E99 IonicContact NZ-OE2 2.91Å
41	V	48.7	Very low	68.3	Low	138 Å²	138	107 Å²	107	84%	0.836	55%	0.549	S	S	*	.			trans	-105.9	80.5	147.1	-172.7	0	0	0	0	104.1	A39 G43	A39-V41 VanDerWaalsContact C-N 3.34Å; V41-G43 PolarHBondContact O-N 2.9Å
42	L	63.2	Low	71	Confident	54 Å²	54	103.6 Å²	103.6	28%	0.283	55%	0.547	S	S	.	.			trans	-77.9	63.7	165.2	-79.2	165.1	0	0	0	106.7	E99 W104 N177 S199	L42-E99 WeakPolarHBondContact CD1-OE2 3.15Å; L42-W104 HydrophobicContact CD2-CZ2 4.3Å; L42-N177 HydrophobicContact CD1-CB 4.29Å; L42-N177 VanDerWaalsContact CD1-ND2 3.29Å; L42-N177 WeakPolarHBondContact CD1-ND2 3.29Å; L42-S199 PolarHBondContact O-OG 3.03Å
43	G	79.8	Confident	73.3	Confident	17 Å²	17	107.6 Å²	107.6	18%	0.175	56%	0.556	C	S	.	*			trans	-76.3	168.5	174.3	0	0	0	0	0	110.6	V41 G45 D66	V41-G43 PolarHBondContact O-N 2.9Å; G43-G45 PolarHBondContact O-N 3.01Å; G43-D66 VanDerWaalsContact C-OD2 3.26Å; G43-D66 WeakPolarHBondContact CA-OD2 3.12Å
44	F	93.8	Very high	75.7	Confident	50 Å²	50	100.8 Å²	100.8	22%	0.219	53%	0.525	C	S	.	.			trans	-49	130.9	168.6	172.8	-101.1	0	0	0	110.3	W46 L61 V63 D66 S197 L198	F44-W46 AromaticContact CE1-CD1 3.61Å; F44-W46 HydrophobicContact CZ-CB 4.38Å; F44-W46 AromaticContact CZ-CD1 3.65Å; F44-W46 HydrophobicContact CZ-CG 4.3Å; F44-L61 HydrophobicContact CE1-CG 4.37Å; F44-L61 HydrophobicContact CE2-CD2 4.26Å; F44-L61 HydrophobicContact CZ-CB 4.47Å; F44-L61 HydrophobicContact CZ-CD2 3.63Å; F44-L61 HydrophobicContact CZ-CG 3.66Å; F44-V63 HydrophobicContact CD1-CB 4.3Å; F44-V63 HydrophobicContact CD2-CB 3.94Å; F44-V63 HydrophobicContact CD2-CG2 4.12Å; F44-V63 HydrophobicContact CE1-CB 4.34Å; F44-V63 HydrophobicContact CE1-CG2 4.25Å; F44-V63 HydrophobicContact CE2-CB 3.99Å; F44-V63 HydrophobicContact CE2-CG2 3.64Å; F44-V63 HydrophobicContact CG-CB 4.12Å; F44-V63 HydrophobicContact CZ-CB 4.22Å; F44-V63 HydrophobicContact CZ-CG2 3.74Å; F44-D66 PolarHBondContact N-OD2 3.36Å; F44-S197 CarbonylContact C-O 3.5Å; F44-S197 VanDerWaalsContact CA-O 3.32Å; F44-S197 WeakPolarHBondContact CA-O 3.4Å; F44-L198 HydrophobicContact CD2-CB 4.34Å
45	G	95.9	Very high	78.3	Confident	22 Å²	22	92.8 Å²	92.8	23%	0.227	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.6	-179.6	0	0	0	0	0	111	G43 L196 S197	G43-G45 PolarHBondContact O-N 3.01Å; G45-L196 CarbonylContact O-C 3.52Å; G45-L196 VanDerWaalsContact O-CA 3.23Å; G45-L196 WeakPolarHBondContact O-CA 3.36Å; G45-S197 PolarHBondContact N-O 2.58Å; G45-S197 PolarHBondContact N-OG 3.2Å; G45-S197 PolarHBondContact O-N 2.72Å; G45-S197 PolarHBondContact O-OG 2.79Å
46	W	97.8	Very high	80.9	Confident	76 Å²	76	84.3 Å²	84.3	29%	0.288	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.7	177.3	68.8	-83.8	0	0	0	111.4	F44 L58 K59 L61 L194 K195 L196	F44-W46 AromaticContact CE1-CD1 3.61Å; F44-W46 HydrophobicContact CZ-CB 4.38Å; F44-W46 AromaticContact CZ-CD1 3.65Å; F44-W46 HydrophobicContact CZ-CG 4.3Å; W46-L58 HydrophobicContact CD2-CD2 4.19Å; W46-L58 HydrophobicContact CE3-CB 4.42Å; W46-L58 HydrophobicContact CE3-CD2 3.74Å; W46-L58 HydrophobicContact CE3-CG 4.39Å; W46-L58 HydrophobicContact CH2-CB 4.4Å; W46-L58 HydrophobicContact CH2-CD2 4.4Å; W46-L58 HydrophobicContact CH2-CG 4.29Å; W46-L58 HydrophobicContact CZ3-CB 3.82Å; W46-L58 HydrophobicContact CZ3-CD2 3.85Å; W46-L58 HydrophobicContact CZ3-CG 3.98Å; W46-K59 WeakPolarHBondContact CH2-O 3.17Å; W46-L61 HydrophobicContact CB-CD2 4.2Å; W46-L61 HydrophobicContact CD2-CB 3.99Å; W46-L61 HydrophobicContact CG-CB 4.09Å; W46-L61 HydrophobicContact CG-CD2 4.03Å; W46-L61 HydrophobicContact CZ2-CB 4.22Å; W46-L61 PolarHBondContact NE1-O 2.74Å; W46-L194 HydrophobicContact CE3-CD1 3.74Å; W46-L194 HydrophobicContact CZ3-CD1 4.38Å; W46-K195 CarbonylContact C-O 3.49Å; W46-K195 WeakPolarHBondContact CA-O 3.25Å; W46-K195 WeakPolarHBondContact CB-O 3.34Å; W46-L196 HydrophobicContact CB-CB 4.25Å
47	K	98	Very high	83	Confident	127 Å²	127	81 Å²	81	55%	0.552	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.3	149.2	170.7	62.1	-178.8	-178.5	179.4	0	111.5	K195	K47-K195 HydrophobicContact CG-CB 4.01Å; K47-K195 PolarHBondContact N-O 3.32Å; K47-K195 PolarHBondContact O-N 2.8Å
48	N	98.4	Very high	85.3	Confident	69 Å²	69	73.1 Å²	73.1	37%	0.369	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.1	162	-60.7	-59.7	0	0	0	109.3	L58 C193	N48-L58 PolarHBondContact ND2-O 2.96Å; N48-L58 PolarHBondContact OD1-N 2.88Å; N48-C193 CarbonylContact C-O 3.59Å; N48-C193 WeakPolarHBondContact CA-O 3.39Å
49	C	98.1	Very high	87.7	Confident	40 Å²	40	71.2 Å²	71.2	27%	0.27	40%	0.401	S	S	.	.			trans	-124.2	4.4	179.9	44.4	0	0	0	0	113.5	C193 L194 K195	C49-C193 HydrophobicContact CB-CB 4.12Å; C49-C193 WeakPolarHBondContact CB-SG 3.41Å; C49-C193 PolarHBondContact N-O 3.35Å; C49-C193 WeakPolarHBondContact SG-CB 3.48Å; C49-C193 PolarHBondContact SG-O 3.39Å; C49-C193 VanDerWaalsContact SG-O 3.4Å; C49-C193 CovalentContact SG-SG 2.04Å; C49-C193 PolarHBondContact SG-SG 2.78Å; C49-L194 PolarHBondContact SG-N 2.71Å; C49-K195 HydrophobicContact CB-CD 4.01Å; C49-K195 HydrophobicContact CB-CG 4.15Å
50	G	95.1	Very high	89.9	Confident	23 Å²	23	69.8 Å²	69.8	24%	0.237	38%	0.383	C	S	.	.	S	Bend	trans	-82	179.2	-177.6	0	0	0	0	0	112	E190	G50-E190 WeakPolarHBondContact CA-OE1 3.18Å
51	Q	94.2	Very high	92.1	Very high	123 Å²	123	65.2 Å²	65.2	58%	0.575	36%	0.364	S	S	*	.			trans	-59.3	151.7	173.1	-61.8	-59	-31.4	0	0	111.1	D53 A54	Q51-D53 VanDerWaalsContact CB-OD1 3.29Å; Q51-D53 WeakPolarHBondContact CB-OD1 3.23Å; Q51-D53 PolarHBondContact O-N 2.87Å; Q51-D53 VanDerWaalsContact O-N 3.09Å; Q51-A54 WeakPolarHBondContact O-CB 3.41Å; Q51-A54 PolarHBondContact O-N 3.37Å
52	P	93.3	Very high	94.3	Very high	134 Å²	134	62 Å²	62	87%	0.87	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.5	-179.2	-26.2	35.2	0	0	0	114.5
53	D	94.1	Very high	95.9	Very high	137 Å²	137	60.9 Å²	60.9	73%	0.733	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	10.2	178.6	67.3	-33.9	0	0	0	113.5	Q51	Q51-D53 VanDerWaalsContact CB-OD1 3.29Å; Q51-D53 WeakPolarHBondContact CB-OD1 3.23Å; Q51-D53 PolarHBondContact O-N 2.87Å; Q51-D53 VanDerWaalsContact O-N 3.09Å
54	A	97.4	Very high	96.6	Very high	13 Å²	13	62.6 Å²	62.6	11%	0.107	35%	0.349	C	S	.	.			trans	-54.9	126.9	177.7	0	0	0	0	0	110.1	Q51 A56	Q51-A54 WeakPolarHBondContact O-CB 3.41Å; Q51-A54 PolarHBondContact O-N 3.37Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A54-A56 PolarHBondContact O-N 3.39Å
55	P	97.7	Very high	96.6	Very high	23 Å²	23	62.8 Å²	62.8	15%	0.149	36%	0.356	C	S	.	.	S	Bend	trans	-67.4	-33.1	-171.2	23	-33.7	0	0	0	113.3	T82 S83 I84 L191	P55-T82 CarbonylContact O-C 3.59Å; P55-T82 WeakPolarHBondContact O-CA 3.26Å; P55-S83 WeakPolarHBondContact CA-OG 3.34Å; P55-S83 VanDerWaalsContact CB-OG 3.23Å; P55-S83 WeakPolarHBondContact CB-OG 3.4Å; P55-S83 PolarHBondContact O-N 2.76Å; P55-I84 HydrophobicContact CB-CD1 4.12Å; P55-I84 HydrophobicContact CB-CG1 3.9Å; P55-I84 HydrophobicContact CB-CG2 4.11Å; P55-I84 HydrophobicContact CG-CD1 3.85Å; P55-I84 HydrophobicContact CG-CG1 4.15Å; P55-L191 WeakPolarHBondContact CD-O 3.17Å; P55-L191 HydrophobicContact CG-CB 4.06Å; P55-L191 HydrophobicContact CG-CD2 3.94Å; P55-L191 WeakPolarHBondContact CG-O 3.17Å
56	A	98.1	Very high	96.4	Very high	18 Å²	18	65.1 Å²	65.1	15%	0.149	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.2	179.5	0	0	0	0	0	111.2	A54 S81 L86 L184 L191 G192	A54-A56 VanDerWaalsContact C-N 3.34Å; A54-A56 PolarHBondContact O-N 3.39Å; A56-S81 WeakPolarHBondContact CA-O 3.17Å; A56-L86 HydrophobicContact CB-CD1 4.4Å; A56-L86 HydrophobicContact CB-CD2 4.5Å; A56-L184 HydrophobicContact CB-CD2 4.49Å; A56-L191 WeakPolarHBondContact CB-O 3.45Å; A56-L191 PolarHBondContact N-O 2.84Å; A56-G192 WeakPolarHBondContact O-CA 3.41Å
57	V	98.2	Very high	96.2	Very high	54 Å²	54	64.2 Å²	64.2	33%	0.327	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.9	-175.7	-67.1	0	0	0	0	111.6	G80 S81	V57-G80 CarbonylContact O-C 3.57Å; V57-G80 VanDerWaalsContact O-CA 3.23Å; V57-G80 WeakPolarHBondContact O-CA 3.18Å; V57-S81 PolarHBondContact N-O 3.27Å; V57-S81 PolarHBondContact O-N 2.86Å
58	L	98.1	Very high	95.9	Very high	36 Å²	36	59.2 Å²	59.2	19%	0.188	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.1	170.4	-162.2	69.3	0	0	0	109.6	W46 N48 L61 S79 L194	W46-L58 HydrophobicContact CD2-CD2 4.19Å; W46-L58 HydrophobicContact CE3-CB 4.42Å; W46-L58 HydrophobicContact CE3-CD2 3.74Å; W46-L58 HydrophobicContact CE3-CG 4.39Å; W46-L58 HydrophobicContact CH2-CB 4.4Å; W46-L58 HydrophobicContact CH2-CD2 4.4Å; W46-L58 HydrophobicContact CH2-CG 4.29Å; W46-L58 HydrophobicContact CZ3-CB 3.82Å; W46-L58 HydrophobicContact CZ3-CD2 3.85Å; W46-L58 HydrophobicContact CZ3-CG 3.98Å; N48-L58 PolarHBondContact ND2-O 2.96Å; N48-L58 PolarHBondContact OD1-N 2.88Å; L58-L61 HydrophobicContact CD2-CB 3.71Å; L58-L61 HydrophobicContact CD2-CD2 3.86Å; L58-L61 HydrophobicContact CD2-CG 4.31Å; L58-L61 HydrophobicContact CG-CB 4.47Å; L58-S79 WeakPolarHBondContact CD1-O 3.37Å; L58-L194 HydrophobicContact CB-CD1 4.1Å; L58-L194 HydrophobicContact CD2-CD1 3.57Å; L58-L194 HydrophobicContact CD2-CD2 3.83Å; L58-L194 HydrophobicContact CD2-CG 4.38Å
59	K	98.1	Very high	95.5	Very high	110 Å²	110	58.7 Å²	58.7	48%	0.478	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-45.1	-178	-67.7	179	179.6	171.9	0	111.7	W46 S79 S81 S154	W46-K59 WeakPolarHBondContact CH2-O 3.17Å; K59-S79 WeakPolarHBondContact CA-O 3.17Å; K59-S79 WeakPolarHBondContact CB-OG 3.06Å; K59-S79 PolarHBondContact N-O 3.46Å; K59-S81 WeakPolarHBondContact CE-OG 3.3Å; K59-S154 PolarHBondContact NZ-OG 3.35Å
60	T	98.1	Very high	95.1	Very high	69 Å²	69	57.5 Å²	57.5	42%	0.423	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.2	176	64.9	0	0	0	0	110.1	A78 S79	T60-A78 CarbonylContact O-C 3.48Å; T60-A78 WeakPolarHBondContact O-CA 3.44Å; T60-S79 PolarHBondContact N-O 2.85Å; T60-S79 VanDerWaalsContact N-O 3.07Å; T60-S79 PolarHBondContact N-OG 2.84Å; T60-S79 PolarHBondContact O-N 2.88Å; T60-S79 WeakPolarHBondContact OG1-CB 3.34Å; T60-S79 PolarHBondContact OG1-N 3.49Å; T60-S79 PolarHBondContact OG1-OG 3Å
61	L	97.6	Very high	95	Very high	36 Å²	36	58.3 Å²	58.3	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	125.6	168.3	179.7	65.9	0	0	0	108.2	F44 W46 L58 V63 A77 A78	F44-L61 HydrophobicContact CE1-CG 4.37Å; F44-L61 HydrophobicContact CE2-CD2 4.26Å; F44-L61 HydrophobicContact CZ-CB 4.47Å; F44-L61 HydrophobicContact CZ-CD2 3.63Å; F44-L61 HydrophobicContact CZ-CG 3.66Å; W46-L61 HydrophobicContact CB-CD2 4.2Å; W46-L61 HydrophobicContact CD2-CB 3.99Å; W46-L61 HydrophobicContact CG-CB 4.09Å; W46-L61 HydrophobicContact CG-CD2 4.03Å; W46-L61 HydrophobicContact CZ2-CB 4.22Å; W46-L61 PolarHBondContact NE1-O 2.74Å; L58-L61 HydrophobicContact CD2-CB 3.71Å; L58-L61 HydrophobicContact CD2-CD2 3.86Å; L58-L61 HydrophobicContact CD2-CG 4.31Å; L58-L61 HydrophobicContact CG-CB 4.47Å; L61-V63 HydrophobicContact CD1-CG2 4.34Å; L61-V63 HydrophobicContact CG-CG2 4.44Å; L61-A77 CarbonylContact C-O 3.5Å; L61-A77 WeakPolarHBondContact CA-O 3.39Å; L61-A78 HydrophobicContact CD1-CB 3.83Å
62	T	96.3	Very high	94.9	Very high	70 Å²	70	53.1 Å²	53.1	43%	0.429	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.4	173	62	0	0	0	0	108.6	A76 A77	T62-A76 VanDerWaalsContact O-CA 3.22Å; T62-A76 WeakPolarHBondContact O-CA 3.33Å; T62-A77 PolarHBondContact N-O 2.88Å; T62-A77 PolarHBondContact O-N 2.52Å; T62-A77 VanDerWaalsContact OG1-CB 3.31Å; T62-A77 WeakPolarHBondContact OG1-CB 3.31Å; T62-A77 PolarHBondContact OG1-N 3.26Å
63	V	95.2	Very high	95	Very high	31 Å²	31	49.6 Å²	49.6	19%	0.188	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135	178.5	-177.5	0	0	0	0	107.5	F44 L61 I68 L74 T75	F44-V63 HydrophobicContact CD1-CB 4.3Å; F44-V63 HydrophobicContact CD2-CB 3.94Å; F44-V63 HydrophobicContact CD2-CG2 4.12Å; F44-V63 HydrophobicContact CE1-CB 4.34Å; F44-V63 HydrophobicContact CE1-CG2 4.25Å; F44-V63 HydrophobicContact CE2-CB 3.99Å; F44-V63 HydrophobicContact CE2-CG2 3.64Å; F44-V63 HydrophobicContact CG-CB 4.12Å; F44-V63 HydrophobicContact CZ-CB 4.22Å; F44-V63 HydrophobicContact CZ-CG2 3.74Å; L61-V63 HydrophobicContact CD1-CG2 4.34Å; L61-V63 HydrophobicContact CG-CG2 4.44Å; V63-I68 HydrophobicContact CG1-CD1 3.81Å; V63-I68 HydrophobicContact CG1-CG1 4.1Å; V63-L74 HydrophobicContact CG1-CD1 3.49Å; V63-L74 VanDerWaalsContact CG1-CD1 3.49Å; V63-L74 HydrophobicContact CG1-CG 4.36Å; V63-T75 CarbonylContact C-O 3.57Å; V63-T75 WeakPolarHBondContact CA-O 3.36Å
64	S	95.3	Very high	95	Very high	53 Å²	53	44.2 Å²	44.2	37%	0.371	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.4	176.4	60.5	0	0	0	0	110.5	L74 T75	S64-L74 CarbonylContact O-C 3.56Å; S64-T75 PolarHBondContact N-O 3.48Å; S64-T75 PolarHBondContact O-N 2.83Å; S64-T75 WeakPolarHBondContact OG-CB 3.41Å; S64-T75 PolarHBondContact OG-O 2.87Å
65	P	94.6	Very high	95	Very high	54 Å²	54	45 Å²	45	35%	0.351	27%	0.268	S	S	.	.	S	Bend	cis	-72	171.9	-3	33	-35.9	0	0	0	112.2	P67 S73	P65-P67 CarbonylContact C-O 3.55Å; P65-P67 CarbonylContact O-C 3.26Å; P65-S73 WeakPolarHBondContact CD-O 3.21Å
66	D	91.3	Very high	94.9	Very high	71 Å²	71	44.6 Å²	44.6	38%	0.38	27%	0.266	S	S	.	.	S	Bend	trans	-130.4	113.3	172.3	177	22.8	0	0	0	108	G43 F44	G43-D66 VanDerWaalsContact C-OD2 3.26Å; G43-D66 WeakPolarHBondContact CA-OD2 3.12Å; F44-D66 PolarHBondContact N-OD2 3.36Å
67	P	92.3	Very high	94.9	Very high	58 Å²	58	44.5 Å²	44.5	38%	0.377	27%	0.265	S	S	.	.	S	Bend	cis	-68	155	5.2	30.4	-36.6	0	0	0	113.7	P65 S199 H201	P65-P67 CarbonylContact C-O 3.55Å; P65-P67 CarbonylContact O-C 3.26Å; P67-S199 CarbonylContact C-O 3.56Å; P67-S199 WeakPolarHBondContact CA-O 3.28Å; P67-H201 HydrophobicContact CB-CB 4.11Å; P67-H201 HydrophobicContact CG-CB 4.07Å
68	I	92.3	Very high	94.9	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.4	171.8	-62.6	172.4	0	0	0	108.6	V63 I70 L74 L164 L198 S199 H201	V63-I68 HydrophobicContact CG1-CD1 3.81Å; V63-I68 HydrophobicContact CG1-CG1 4.1Å; I68-I70 HydrophobicContact CG2-CG1 4.4Å; I68-L74 HydrophobicContact CB-CD1 4.45Å; I68-L74 HydrophobicContact CD1-CD1 4.15Å; I68-L74 HydrophobicContact CG1-CD1 3.87Å; I68-L74 HydrophobicContact CG2-CD1 3.94Å; I68-L164 HydrophobicContact CG2-CD1 3.51Å; I68-L198 HydrophobicContact CD1-CD2 4.43Å; I68-S199 PolarHBondContact N-O 3.41Å; I68-H201 PolarHBondContact O-N 3.28Å; I68-H201 VanDerWaalsContact O-O 3.12Å
69	N	90.6	Very high	94.9	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.6	179.2	-61.4	-50.8	0	0	0	111.5	P71 G72 H201	N69-P71 CarbonylContact O-C 3.54Å; N69-G72 PolarHBondContact O-N 2.89Å; N69-H201 CarbonylContact C-O 3.51Å; N69-H201 VanDerWaalsContact CA-O 3.25Å; N69-H201 WeakPolarHBondContact CA-O 3.39Å
70	I	89.3	Confident	94.9	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114.5	175.8	-54.4	177.1	0	0	0	109.3	I68 L164 M167 L169 V200 H201 S202	I68-I70 HydrophobicContact CG2-CG1 4.4Å; I70-L164 HydrophobicContact CG1-CD1 3.97Å; I70-M167 HydrophobicContact CD1-CE 4.03Å; I70-M167 HydrophobicContact CG2-CE 4.4Å; I70-L169 HydrophobicContact CD1-CD1 4.39Å; I70-V200 HydrophobicContact CD1-CG1 3.82Å; I70-V200 HydrophobicContact CG1-CG1 4.31Å; I70-H201 PolarHBondContact N-O 3.02Å; I70-S202 VanDerWaalsContact O-CA 3.28Å; I70-S202 WeakPolarHBondContact O-CA 3.19Å; I70-S202 PolarHBondContact O-OG 2.83Å
71	P	92.3	Very high	94.9	Very high	41 Å²	41	35.8 Å²	35.8	27%	0.266	23%	0.23	S	C	.	.	S	Bend	cis	-70.9	157.8	-4.5	30.9	-35.2	0	0	0	112.5	N69 L164	N69-P71 CarbonylContact O-C 3.54Å; P71-L164 CarbonylContact C-O 3.53Å; P71-L164 WeakPolarHBondContact CA-O 3.31Å; P71-L164 WeakPolarHBondContact CB-O 3.36Å
72	G	93.3	Very high	94.9	Very high	13 Å²	13	34.4 Å²	34.4	13%	0.134	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	170.2	176.7	0	0	0	0	0	115.1	N69 L164	N69-G72 PolarHBondContact O-N 2.89Å; G72-L164 PolarHBondContact N-O 3Å; G72-L164 PolarHBondContact O-N 3.3Å
73	S	94.7	Very high	95	Very high	60 Å²	60	35.3 Å²	35.3	42%	0.42	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.5	175.4	-58.4	0	0	0	0	111.3	P65 F162	P65-S73 WeakPolarHBondContact CD-O 3.21Å; S73-F162 CarbonylContact C-O 3.52Å; S73-F162 WeakPolarHBondContact CA-O 3.32Å
74	L	94.6	Very high	95.1	Very high	25 Å²	25	37 Å²	37	13%	0.131	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.6	174.8	-177.1	73.3	0	0	0	108.7	V63 S64 I68 Q161 F162 L164	V63-L74 HydrophobicContact CG1-CD1 3.49Å; V63-L74 VanDerWaalsContact CG1-CD1 3.49Å; V63-L74 HydrophobicContact CG1-CG 4.36Å; S64-L74 CarbonylContact O-C 3.56Å; I68-L74 HydrophobicContact CB-CD1 4.45Å; I68-L74 HydrophobicContact CD1-CD1 4.15Å; I68-L74 HydrophobicContact CG1-CD1 3.87Å; I68-L74 HydrophobicContact CG2-CD1 3.94Å; L74-Q161 CarbonylContact O-C 3.59Å; L74-Q161 WeakPolarHBondContact O-CA 3.29Å; L74-F162 HydrophobicContact CB-CB 4.37Å; L74-F162 PolarHBondContact N-O 2.84Å; L74-F162 PolarHBondContact O-N 2.91Å; L74-L164 HydrophobicContact CB-CD1 4.08Å; L74-L164 HydrophobicContact CB-CG 4.06Å; L74-L164 HydrophobicContact CD2-CD1 4.21Å; L74-L164 HydrophobicContact CD2-CD2 4.26Å; L74-L164 HydrophobicContact CD2-CG 4.47Å
75	T	96.7	Very high	95.2	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.178	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.6	170.3	-61.5	0	0	0	0	108.8	V63 S64 Q159 T160	V63-T75 CarbonylContact C-O 3.57Å; V63-T75 WeakPolarHBondContact CA-O 3.36Å; S64-T75 PolarHBondContact N-O 3.48Å; S64-T75 PolarHBondContact O-N 2.83Å; S64-T75 WeakPolarHBondContact OG-CB 3.41Å; S64-T75 PolarHBondContact OG-O 2.87Å; T75-Q159 HydrophobicContact CG2-CG 3.3Å; T75-T160 WeakPolarHBondContact CA-O 3Å
76	A	96.3	Very high	95.4	Very high	14 Å²	14	39.1 Å²	39.1	12%	0.116	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.1	179.5	0	0	0	0	0	112	T62 T160 F162	T62-A76 VanDerWaalsContact O-CA 3.22Å; T62-A76 WeakPolarHBondContact O-CA 3.33Å; A76-T160 PolarHBondContact N-O 2.99Å; A76-T160 PolarHBondContact O-N 3.4Å; A76-F162 HydrophobicContact CB-CD2 4.4Å; A76-F162 HydrophobicContact CB-CE2 4.01Å
77	A	97.5	Very high	95.7	Very high	16 Å²	16	37.3 Å²	37.3	13%	0.132	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.6	167.1	0	0	0	0	0	108.6	L61 T62 Q159	L61-A77 CarbonylContact C-O 3.5Å; L61-A77 WeakPolarHBondContact CA-O 3.39Å; T62-A77 PolarHBondContact N-O 2.88Å; T62-A77 PolarHBondContact O-N 2.52Å; T62-A77 VanDerWaalsContact OG1-CB 3.31Å; T62-A77 WeakPolarHBondContact OG1-CB 3.31Å; T62-A77 PolarHBondContact OG1-N 3.26Å; A77-Q159 HydrophobicContact CB-CB 4.24Å
78	A	97.8	Very high	95.9	Very high	26 Å²	26	38 Å²	38	22%	0.215	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	142.8	179.3	0	0	0	0	0	111	T60 L61 S156 L157	T60-A78 CarbonylContact O-C 3.48Å; T60-A78 WeakPolarHBondContact O-CA 3.44Å; L61-A78 HydrophobicContact CD1-CB 3.83Å; A78-S156 WeakPolarHBondContact O-CA 3.14Å; A78-L157 PolarHBondContact N-O 2.91Å; A78-L157 PolarHBondContact O-N 2.84Å; A78-L157 VanDerWaalsContact O-O 3.09Å
79	S	98.3	Very high	96.1	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.7	166.6	70.8	0	0	0	0	110.4	L58 K59 T60 Y155	L58-S79 WeakPolarHBondContact CD1-O 3.37Å; K59-S79 WeakPolarHBondContact CA-O 3.17Å; K59-S79 WeakPolarHBondContact CB-OG 3.06Å; K59-S79 PolarHBondContact N-O 3.46Å; T60-S79 PolarHBondContact N-O 2.85Å; T60-S79 VanDerWaalsContact N-O 3.07Å; T60-S79 PolarHBondContact N-OG 2.84Å; T60-S79 PolarHBondContact O-N 2.88Å; T60-S79 WeakPolarHBondContact OG1-CB 3.34Å; T60-S79 PolarHBondContact OG1-N 3.49Å; T60-S79 PolarHBondContact OG1-OG 3Å; S79-Y155 CarbonylContact C-O 3.58Å; S79-Y155 VanDerWaalsContact CA-O 3.27Å; S79-Y155 WeakPolarHBondContact CA-O 3.45Å
80	G	98.1	Very high	96.5	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	174.5	-179.6	0	0	0	0	0	111	V57 S154 Y155	V57-G80 CarbonylContact O-C 3.57Å; V57-G80 VanDerWaalsContact O-CA 3.23Å; V57-G80 WeakPolarHBondContact O-CA 3.18Å; G80-S154 WeakPolarHBondContact O-CA 3.18Å; G80-Y155 PolarHBondContact N-O 2.95Å; G80-Y155 PolarHBondContact O-N 3.24Å
81	S	98.1	Very high	96.9	Very high	27 Å²	27	39.5 Å²	39.5	19%	0.189	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.4	173.3	55.9	0	0	0	0	111.3	A56 V57 K59 G153	A56-S81 WeakPolarHBondContact CA-O 3.17Å; V57-S81 PolarHBondContact N-O 3.27Å; V57-S81 PolarHBondContact O-N 2.86Å; K59-S81 WeakPolarHBondContact CE-OG 3.3Å; S81-G153 CarbonylContact C-O 3.56Å; S81-G153 WeakPolarHBondContact CA-O 3.37Å; S81-G153 VanDerWaalsContact CB-O 3.29Å; S81-G153 WeakPolarHBondContact CB-O 3.37Å
82	T	98.4	Very high	97.2	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133	167.1	175.2	0	0	0	0	110	P55 I84 L86 K151 A152 G153 Y155	P55-T82 CarbonylContact O-C 3.59Å; P55-T82 WeakPolarHBondContact O-CA 3.26Å; T82-I84 VanDerWaalsContact C-N 3.31Å; T82-I84 WeakPolarHBondContact CG2-O 3.46Å; T82-I84 PolarHBondContact OG1-N 3.43Å; T82-I84 PolarHBondContact OG1-O 2.77Å; T82-L86 HydrophobicContact CG2-CD1 4.08Å; T82-L86 HydrophobicContact CG2-CG 4.17Å; T82-K151 WeakPolarHBondContact CG2-O 3.22Å; T82-A152 CarbonylContact O-C 3.58Å; T82-A152 WeakPolarHBondContact O-CA 3.32Å; T82-G153 PolarHBondContact N-O 2.86Å; T82-G153 PolarHBondContact O-N 3.12Å; T82-Y155 HydrophobicContact CG2-CE2 4.16Å
83	S	98.3	Very high	97.5	Very high	89 Å²	89	42.6 Å²	42.6	62%	0.622	27%	0.265	S	S	*	.	S	Bend	trans	-81.4	-12.2	175.7	60.4	0	0	0	0	113.2	P55	P55-S83 WeakPolarHBondContact CA-OG 3.34Å; P55-S83 VanDerWaalsContact CB-OG 3.23Å; P55-S83 WeakPolarHBondContact CB-OG 3.4Å; P55-S83 PolarHBondContact O-N 2.76Å
84	I	98	Very high	97.6	Very high	68 Å²	68	41 Å²	41	35%	0.349	25%	0.253	S	S	.	.	S	Bend	trans	-123.9	166.4	178	72.8	174	0	0	0	111.2	P55 T82 L86 L191	P55-I84 HydrophobicContact CB-CD1 4.12Å; P55-I84 HydrophobicContact CB-CG1 3.9Å; P55-I84 HydrophobicContact CB-CG2 4.11Å; P55-I84 HydrophobicContact CG-CD1 3.85Å; P55-I84 HydrophobicContact CG-CG1 4.15Å; T82-I84 VanDerWaalsContact C-N 3.31Å; T82-I84 WeakPolarHBondContact CG2-O 3.46Å; T82-I84 PolarHBondContact OG1-N 3.43Å; T82-I84 PolarHBondContact OG1-O 2.77Å; I84-L86 HydrophobicContact CD1-CD2 4.46Å; I84-L86 HydrophobicContact CG1-CD2 4.09Å; I84-L191 HydrophobicContact CD1-CD1 4.25Å; I84-L191 HydrophobicContact CD1-CD2 3.74Å
85	K	97.8	Very high	97.8	Very high	133 Å²	133	41.8 Å²	41.8	58%	0.578	26%	0.259	S	S	*	.			trans	-72.2	126.7	167.7	-174.9	-176.5	69.4	172.8	0	109.9	A87 P149 F150	K85-A87 HydrophobicContact CG-CB 4.46Å; K85-P149 HydrophobicContact CD-CB 3.8Å; K85-P149 HydrophobicContact CD-CG 4.24Å; K85-P149 HydrophobicContact CG-CB 3.77Å; K85-F150 CarbonylContact C-O 3.44Å; K85-F150 VanDerWaalsContact CA-O 3.31Å; K85-F150 WeakPolarHBondContact CA-O 3.23Å
86	L	98.1	Very high	97.8	Very high	17 Å²	17	41.3 Å²	41.3	9%	0.089	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-95.1	111.8	171.9	-49	173.3	0	0	0	108.1	A56 T82 I84 L90 P149 F150 L184 L191	A56-L86 HydrophobicContact CB-CD1 4.4Å; A56-L86 HydrophobicContact CB-CD2 4.5Å; T82-L86 HydrophobicContact CG2-CD1 4.08Å; T82-L86 HydrophobicContact CG2-CG 4.17Å; I84-L86 HydrophobicContact CD1-CD2 4.46Å; I84-L86 HydrophobicContact CG1-CD2 4.09Å; L86-L90 HydrophobicContact CB-CD1 4.08Å; L86-L90 HydrophobicContact CB-CD2 4.12Å; L86-P149 CarbonylContact O-C 3.58Å; L86-P149 VanDerWaalsContact O-CA 3.22Å; L86-P149 WeakPolarHBondContact O-CA 3.49Å; L86-F150 HydrophobicContact CB-CB 4.15Å; L86-F150 HydrophobicContact CB-CD2 4.4Å; L86-F150 HydrophobicContact CD1-CB 4.41Å; L86-F150 PolarHBondContact N-O 2.86Å; L86-F150 PolarHBondContact O-N 3.06Å; L86-L184 HydrophobicContact CD1-CD2 4.02Å; L86-L184 HydrophobicContact CD2-CD2 4.35Å; L86-L191 HydrophobicContact CD2-CB 4.43Å; L86-L191 HydrophobicContact CD2-CD1 3.81Å
87	A	97.4	Very high	97.8	Very high	33 Å²	33	43.5 Å²	43.5	27%	0.273	26%	0.263	S	S	.	.			trans	-134.4	158.8	-174.2	0	0	0	0	0	110.8	K85 P89 P149	K85-A87 HydrophobicContact CG-CB 4.46Å; A87-P89 CarbonylContact O-C 3.53Å; A87-P149 HydrophobicContact CB-CB 3.9Å
88	S	96.9	Very high	97.6	Very high	74 Å²	74	44.1 Å²	44.1	52%	0.517	26%	0.263	S	S	.	.	S	Bend	trans	-58.3	142.3	173	169.4	0	0	0	0	111.3	D120 C122	S88-D120 WeakPolarHBondContact CB-OD2 3.32Å; S88-D120 PolarHBondContact OG-OD2 2.92Å; S88-C122 PolarHBondContact N-SG 2.91Å
89	P	97	Very high	97.4	Very high	91 Å²	91	44.2 Å²	44.2	59%	0.591	26%	0.259	S	S	*	.	S	Bend	cis	-75.3	125.7	-8	29.5	-33.3	0	0	0	111.6	A87 D120	A87-P89 CarbonylContact O-C 3.53Å; P89-D120 HydrophobicContact CB-CB 4.48Å
90	L	98.1	Very high	97.1	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	88.7	-178	-169.7	69.6	0	0	0	110	L86 D120 A121 L184 G185 L191	L86-L90 HydrophobicContact CB-CD1 4.08Å; L86-L90 HydrophobicContact CB-CD2 4.12Å; L90-D120 PolarHBondContact N-OD1 3.39Å; L90-A121 WeakPolarHBondContact O-CB 3.29Å; L90-A121 PolarHBondContact O-N 2.87Å; L90-L184 HydrophobicContact CD1-CD1 4.1Å; L90-L184 HydrophobicContact CD1-CD2 4.27Å; L90-L184 HydrophobicContact CD1-CG 4.07Å; L90-L184 HydrophobicContact CD2-CD1 3.98Å; L90-L184 HydrophobicContact CG-CD1 3.75Å; L90-L184 HydrophobicContact CG-CG 4.29Å; L90-G185 CarbonylContact C-O 3.46Å; L90-L191 HydrophobicContact CD1-CD1 3.95Å
91	S	98.3	Very high	96.7	Very high	28 Å²	28	50.9 Å²	50.9	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.5	-177	139.5	0	0	0	0	111.8	H117 Y118 N119 L184 G185	S91-H117 PolarHBondContact OG-CE1 2.67Å; S91-H117 VanDerWaalsContact OG-CE1 3.27Å; S91-Y118 CarbonylContact C-O 3.58Å; S91-Y118 WeakPolarHBondContact CA-O 3.27Å; S91-N119 WeakPolarHBondContact CA-O 3.18Å; S91-L184 CarbonylContact O-C 3.46Å; S91-G185 PolarHBondContact N-O 2.88Å; S91-G185 PolarHBondContact O-N 2.81Å
92	L	98.2	Very high	96.3	Very high	48 Å²	48	51.9 Å²	51.9	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.9	173.2	178.7	64.5	0	0	0	110.7	V94 Y118 A121 L184	L92-V94 HydrophobicContact CD1-CG2 4.43Å; L92-V94 HydrophobicContact CD2-CG2 4.02Å; L92-V94 HydrophobicContact CG-CG2 3.87Å; L92-Y118 HydrophobicContact CB-CD2 4.22Å; L92-Y118 HydrophobicContact CD2-CD2 4.16Å; L92-Y118 HydrophobicContact CG-CD2 4.25Å; L92-Y118 PolarHBondContact N-O 2.71Å; L92-Y118 PolarHBondContact O-N 3.21Å; L92-A121 HydrophobicContact CB-CB 4.16Å; L92-L184 HydrophobicContact CD1-CD1 4.35Å
93	N	98.3	Very high	96.1	Very high	70 Å²	70	58.8 Å²	58.8	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.6	173	-87.3	-57.1	0	0	0	110.1	H117 G182 V183	N93-H117 PolarHBondContact ND2-ND1 2.68Å; N93-H117 WeakPolarHBondContact OD1-CB 3.35Å; N93-H117 VanDerWaalsContact OD1-CG 3.28Å; N93-H117 PolarHBondContact OD1-ND1 3.38Å; N93-G182 CarbonylContact O-C 3.53Å; N93-G182 WeakPolarHBondContact O-CA 3.4Å; N93-V183 HydrophobicContact CB-CB 4.13Å; N93-V183 PolarHBondContact N-O 3.02Å; N93-V183 PolarHBondContact O-N 3.12Å
94	V	98.4	Very high	96	Very high	26 Å²	26	57.7 Å²	57.7	16%	0.158	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.3	177.7	-176.9	0	0	0	0	109.9	L92 S115 C116 Y118 V180 Q181	L92-V94 HydrophobicContact CD1-CG2 4.43Å; L92-V94 HydrophobicContact CD2-CG2 4.02Å; L92-V94 HydrophobicContact CG-CG2 3.87Å; V94-S115 CarbonylContact O-C 3.57Å; V94-S115 VanDerWaalsContact O-C 3.26Å; V94-S115 WeakPolarHBondContact O-CA 3.12Å; V94-C116 PolarHBondContact N-O 2.7Å; V94-C116 PolarHBondContact O-N 3.18Å; V94-Y118 HydrophobicContact CG2-CD2 4.3Å; V94-Y118 HydrophobicContact CG2-CE2 3.85Å; V94-V180 HydrophobicContact CG1-CG1 3.87Å; V94-Q181 CarbonylContact C-O 3.57Å; V94-Q181 WeakPolarHBondContact CA-O 3.35Å
95	T	98.4	Very high	95.8	Very high	43 Å²	43	58 Å²	58	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	109.8	167.3	-62.8	0	0	0	0	108.8	E97 V180 Q181	T95-E97 HydrophobicContact CG2-CG 4.34Å; T95-V180 CarbonylContact O-C 3.57Å; T95-V180 VanDerWaalsContact O-CA 3.31Å; T95-V180 WeakPolarHBondContact O-CA 3.48Å; T95-Q181 PolarHBondContact N-O 3.44Å; T95-Q181 PolarHBondContact O-N 3.33Å
96	L	96.9	Very high	95.7	Very high	19 Å²	19	57.6 Å²	57.6	10%	0.099	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.9	172.8	178.5	65.2	0	0	0	110.4	V107 S115 W172 L173 Y178 V180	L96-V107 HydrophobicContact CB-CB 4.28Å; L96-V107 HydrophobicContact CD2-CB 4.03Å; L96-V107 HydrophobicContact CD2-CG1 4.17Å; L96-V107 HydrophobicContact CD2-CG2 4.07Å; L96-V107 HydrophobicContact CG-CB 4.08Å; L96-V107 HydrophobicContact CG-CG2 3.97Å; L96-V107 PolarHBondContact O-N 2.86Å; L96-S115 PolarHBondContact N-OG 2.93Å; L96-S115 VanDerWaalsContact N-OG 3.16Å; L96-S115 PolarHBondContact O-OG 3.07Å; L96-W172 HydrophobicContact CD2-CZ3 3.88Å; L96-L173 HydrophobicContact CD2-CD1 4.02Å; L96-Y178 HydrophobicContact CD1-CD1 3.87Å; L96-V180 HydrophobicContact CD1-CG2 3.61Å
97	E	95.9	Very high	95.6	Very high	60 Å²	60	57.3 Å²	57.3	28%	0.28	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142	172.2	-55.7	179.6	118.4	0	0	110	T95 W104 V105 Y178 R179	T95-E97 HydrophobicContact CG2-CG 4.34Å; E97-W104 HydrophobicContact CB-CB 4.43Å; E97-W104 HydrophobicContact CB-CE3 4.13Å; E97-V105 CarbonylContact C-O 3.55Å; E97-V105 VanDerWaalsContact CA-O 3.28Å; E97-V105 WeakPolarHBondContact CA-O 3.35Å; E97-Y178 CarbonylContact O-C 3.58Å; E97-Y178 VanDerWaalsContact O-CA 3.3Å; E97-Y178 WeakPolarHBondContact O-CA 3.07Å; E97-R179 HydrophobicContact CB-CB 4.34Å; E97-R179 PolarHBondContact N-O 3.03Å; E97-R179 PolarHBondContact O-N 3.16Å
98	K	93.9	Very high	95.4	Very high	28 Å²	28	59.4 Å²	59.4	12%	0.122	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.3	174.4	-178.3	173.2	-177.4	160.6	0	110.3	V100 V105 V107 W172 T174 Y178	K98-V100 HydrophobicContact CD-CG2 4.43Å; K98-V100 HydrophobicContact CG-CG2 4.18Å; K98-V100 PolarHBondContact O-N 3.4Å; K98-V105 PolarHBondContact N-O 2.78Å; K98-V105 PolarHBondContact O-N 3.11Å; K98-V107 HydrophobicContact CB-CG2 4.21Å; K98-W172 VanDerWaalsContact CD-O 3.29Å; K98-W172 WeakPolarHBondContact CD-O 3.28Å; K98-W172 PolarHBondContact NZ-O 2.97Å; K98-T174 PolarHBondContact NZ-OG1 3.37Å; K98-Y178 HydrophobicContact CB-CD1 4.04Å; K98-Y178 HydrophobicContact CB-CE1 3.81Å; K98-Y178 HydrophobicContact CD-CE1 3.79Å; K98-Y178 WeakPolarHBondContact CE-OH 3.1Å; K98-Y178 HydrophobicContact CG-CD1 4.27Å; K98-Y178 HydrophobicContact CG-CE1 3.76Å; K98-Y178 PolarHBondContact NZ-OH 2.83Å; K98-Y178 VanDerWaalsContact NZ-OH 3.13Å
99	E	93.8	Very high	95.3	Very high	29 Å²	29	58.7 Å²	58.7	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.6	170.5	-166.8	-174.8	179.6	0	0	110.1	K40 L42 F103 W104 N177	K40-E99 IonicContact NZ-OE1 3.63Å; K40-E99 PolarHBondContact NZ-OE1 2.86Å; K40-E99 IonicContact NZ-OE2 2.91Å; L42-E99 WeakPolarHBondContact CD1-OE2 3.15Å; E99-F103 CarbonylContact C-O 3.55Å; E99-F103 VanDerWaalsContact CA-O 3.32Å; E99-F103 WeakPolarHBondContact CA-O 3.36Å; E99-W104 HydrophobicContact CB-CD2 4.43Å; E99-W104 HydrophobicContact CB-CE3 4.18Å; E99-W104 HydrophobicContact CB-CH2 3.99Å; E99-W104 HydrophobicContact CB-CZ2 4.23Å; E99-W104 HydrophobicContact CB-CZ3 3.95Å; E99-W104 HydrophobicContact CG-CZ2 4.49Å; E99-N177 HydrophobicContact CB-CB 4.07Å; E99-N177 PolarHBondContact N-O 2.92Å; E99-N177 PolarHBondContact OE2-ND2 2.78Å
100	V	91.3	Very high	95	Very high	75 Å²	75	58.5 Å²	58.5	46%	0.455	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.4	176.4	-177.1	0	0	0	0	108.4	K98 G102 F103 V105	K98-V100 HydrophobicContact CD-CG2 4.43Å; K98-V100 HydrophobicContact CG-CG2 4.18Å; K98-V100 PolarHBondContact O-N 3.4Å; V100-G102 PolarHBondContact O-N 3.21Å; V100-F103 PolarHBondContact N-O 3.36Å; V100-F103 PolarHBondContact O-N 3.1Å; V100-V105 HydrophobicContact CB-CG2 4.09Å; V100-V105 HydrophobicContact CG2-CG2 4.23Å
101	A	89.9	Confident	94.5	Very high	97 Å²	97	67 Å²	67	80%	0.802	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	33.6	-179.4	0	0	0	0	0	114.3	F103	A101-F103 WeakPolarHBondContact O-CD2 3.31Å
102	G	90.1	Very high	94	Very high	48 Å²	48	70.9 Å²	70.9	50%	0.495	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-1.1	-179.4	0	0	0	0	0	115.6	V100	V100-G102 PolarHBondContact O-N 3.21Å
103	F	93.6	Very high	93.5	Very high	153 Å²	153	72.3 Å²	72.3	67%	0.671	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.3	175.8	-61	-84	0	0	0	111.3	E99 V100 A101	E99-F103 CarbonylContact C-O 3.55Å; E99-F103 VanDerWaalsContact CA-O 3.32Å; E99-F103 WeakPolarHBondContact CA-O 3.36Å; V100-F103 PolarHBondContact N-O 3.36Å; V100-F103 PolarHBondContact O-N 3.1Å; A101-F103 WeakPolarHBondContact O-CD2 3.31Å
104	W	95	Very high	93.3	Very high	66 Å²	66	69.4 Å²	69.4	25%	0.25	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.3	173.3	-66	92.3	0	0	0	109.3	L42 E97 E99 N177 R179	L42-W104 HydrophobicContact CD2-CZ2 4.3Å; E97-W104 HydrophobicContact CB-CB 4.43Å; E97-W104 HydrophobicContact CB-CE3 4.13Å; E99-W104 HydrophobicContact CB-CD2 4.43Å; E99-W104 HydrophobicContact CB-CE3 4.18Å; E99-W104 HydrophobicContact CB-CH2 3.99Å; E99-W104 HydrophobicContact CB-CZ2 4.23Å; E99-W104 HydrophobicContact CB-CZ3 3.95Å; E99-W104 HydrophobicContact CG-CZ2 4.49Å; W104-N177 HydrophobicContact CH2-CB 4.05Å; W104-R179 HydrophobicContact CD2-CG 4.41Å; W104-R179 VanDerWaalsContact CE2-NE 3.33Å; W104-R179 HydrophobicContact CE3-CB 4.23Å; W104-R179 HydrophobicContact CE3-CG 3.91Å; W104-R179 HydrophobicContact CH2-CG 3.74Å; W104-R179 HydrophobicContact CZ2-CG 4.26Å; W104-R179 VanDerWaalsContact CZ2-NE 3.27Å; W104-R179 HydrophobicContact CZ3-CB 4.08Å; W104-R179 HydrophobicContact CZ3-CG 3.56Å; W104-R179 VanDerWaalsContact NE1-CZ 3.3Å
105	V	95.2	Very high	93.2	Very high	74 Å²	74	69 Å²	69	45%	0.448	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.3	-178.8	-177.2	0	0	0	0	108.6	E97 K98 V100 V107	E97-V105 CarbonylContact C-O 3.55Å; E97-V105 VanDerWaalsContact CA-O 3.28Å; E97-V105 WeakPolarHBondContact CA-O 3.35Å; K98-V105 PolarHBondContact N-O 2.78Å; K98-V105 PolarHBondContact O-N 3.11Å; V100-V105 HydrophobicContact CB-CG2 4.09Å; V100-V105 HydrophobicContact CG2-CG2 4.23Å; V105-V107 PolarHBondContact O-N 2.98Å
106	K	95.8	Very high	93.2	Very high	125 Å²	125	67.2 Å²	67.2	54%	0.543	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.4	174.5	-174	177.5	179.5	177.8	0	110	S115	K106-S115 WeakPolarHBondContact CE-OG 2.95Å; K106-S115 VanDerWaalsContact CG-OG 3.28Å; K106-S115 WeakPolarHBondContact CG-OG 3.02Å
107	V	94.5	Very high	93.2	Very high	11 Å²	11	70.7 Å²	70.7	7%	0.067	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-87.4	121.1	177.3	-178.7	0	0	0	0	108.7	L96 K98 V105 S115 W172	L96-V107 HydrophobicContact CB-CB 4.28Å; L96-V107 HydrophobicContact CD2-CB 4.03Å; L96-V107 HydrophobicContact CD2-CG1 4.17Å; L96-V107 HydrophobicContact CD2-CG2 4.07Å; L96-V107 HydrophobicContact CG-CB 4.08Å; L96-V107 HydrophobicContact CG-CG2 3.97Å; L96-V107 PolarHBondContact O-N 2.86Å; K98-V107 HydrophobicContact CB-CG2 4.21Å; V105-V107 PolarHBondContact O-N 2.98Å; V107-S115 WeakPolarHBondContact O-CB 3.35Å; V107-S115 PolarHBondContact O-N 2.02Å; V107-S115 PolarHBondContact O-OG 2.91Å; V107-W172 HydrophobicContact CG1-CD2 3.96Å; V107-W172 HydrophobicContact CG1-CE3 3.45Å; V107-W172 VanDerWaalsContact CG1-CE3 3.45Å; V107-W172 HydrophobicContact CG1-CH2 3.83Å; V107-W172 HydrophobicContact CG1-CZ2 4.27Å; V107-W172 HydrophobicContact CG1-CZ3 3.39Å; V107-W172 HydrophobicContact CG2-CE3 4.44Å
108	P	94.9	Very high	93.2	Very high	77 Å²	77	70 Å²	70	50%	0.5	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-63.1	159.1	178.9	28.6	-35	0	0	0	111.6	L110	P108-L110 HydrophobicContact CG-CD1 4.21Å; P108-L110 HydrophobicContact CG-CG 4.28Å; P108-L110 PolarHBondContact O-N 2.85Å
109	C	94.1	Very high	93.4	Very high	58 Å²	58	74.5 Å²	74.5	39%	0.392	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-72.5	118.9	169.4	-171.3	0	0	0	0	109.6	L113 S115 C116	C109-L113 CarbonylContact C-O 3.56Å; C109-L113 WeakPolarHBondContact CA-O 3.3Å; C109-S115 WeakPolarHBondContact CB-O 3.31Å; C109-C116 VanDerWaalsContact CA-SG 3.51Å; C109-C116 HydrophobicContact CB-CB 3.96Å; C109-C116 WeakPolarHBondContact CB-SG 3.42Å; C109-C116 VanDerWaalsContact SG-CA 3.54Å; C109-C116 WeakPolarHBondContact SG-CB 3.23Å; C109-C116 CovalentContact SG-SG 2.04Å; C109-C116 PolarHBondContact SG-SG 2.84Å
110	L	90.4	Very high	93.5	Very high	88 Å²	88	73.6 Å²	73.6	46%	0.461	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-135	121.8	176.4	-65.9	173.8	0	0	0	107.8	P108 D112 L113	P108-L110 HydrophobicContact CG-CD1 4.21Å; P108-L110 HydrophobicContact CG-CG 4.28Å; P108-L110 PolarHBondContact O-N 2.85Å; L110-D112 VanDerWaalsContact C-N 3.26Å; L110-D112 PolarHBondContact O-N 2.94Å; L110-L113 PolarHBondContact N-O 3.49Å; L110-L113 WeakPolarHBondContact O-CB 3.46Å; L110-L113 PolarHBondContact O-N 3.47Å
111	E	86.6	Confident	93.8	Very high	185 Å²	185	70.8 Å²	70.8	86%	0.864	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	47.8	178.9	-58.9	179.8	175.2	0	0	112.4	L113	E111-L113 PolarHBondContact O-N 2.76Å; E111-L113 VanDerWaalsContact O-N 3.15Å
112	D	88.1	Confident	94.1	Very high	109 Å²	109	66.3 Å²	66.3	58%	0.583	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	21	-178.2	-63.1	-48.5	0	0	0	115.1	L110 C116 Y118	L110-D112 VanDerWaalsContact C-N 3.26Å; L110-D112 PolarHBondContact O-N 2.94Å; D112-C116 VanDerWaalsContact C-SG 3.54Å; D112-Y118 HydrophobicContact CB-CE1 4.12Å; D112-Y118 PolarHBondContact O-OH 2.66Å
113	L	88.6	Confident	94.4	Very high	77 Å²	77	69.5 Å²	69.5	40%	0.403	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-121	139.5	173.5	-61.3	174.8	0	0	0	111.6	C109 L110 E111 P170 W172	C109-L113 CarbonylContact C-O 3.56Å; C109-L113 WeakPolarHBondContact CA-O 3.3Å; L110-L113 PolarHBondContact N-O 3.49Å; L110-L113 WeakPolarHBondContact O-CB 3.46Å; L110-L113 PolarHBondContact O-N 3.47Å; E111-L113 PolarHBondContact O-N 2.76Å; E111-L113 VanDerWaalsContact O-N 3.15Å; L113-P170 HydrophobicContact CD1-CG 4.38Å; L113-W172 HydrophobicContact CB-CH2 3.92Å; L113-W172 HydrophobicContact CB-CZ2 4.15Å
114	G	93	Very high	94.4	Very high	10 Å²	10	64.3 Å²	64.3	10%	0.103	34%	0.335	C	S	.	.	S	Bend	trans	108.1	-141.9	178.7	0	0	0	0	0	113.3	C116	G114-C116 VanDerWaalsContact C-N 3.29Å; G114-C116 PolarHBondContact O-N 2.78Å
115	S	97.6	Very high	94.4	Very high	18 Å²	18	63.4 Å²	63.4	13%	0.126	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-79.7	71.9	176.2	-68.4	0	0	0	0	112.4	V94 L96 K106 V107 C109	V94-S115 CarbonylContact O-C 3.57Å; V94-S115 VanDerWaalsContact O-C 3.26Å; V94-S115 WeakPolarHBondContact O-CA 3.12Å; L96-S115 PolarHBondContact N-OG 2.93Å; L96-S115 VanDerWaalsContact N-OG 3.16Å; L96-S115 PolarHBondContact O-OG 3.07Å; K106-S115 WeakPolarHBondContact CE-OG 2.95Å; K106-S115 VanDerWaalsContact CG-OG 3.28Å; K106-S115 WeakPolarHBondContact CG-OG 3.02Å; V107-S115 WeakPolarHBondContact O-CB 3.35Å; V107-S115 PolarHBondContact O-N 2.02Å; V107-S115 PolarHBondContact O-OG 2.91Å; C109-S115 WeakPolarHBondContact CB-O 3.31Å
116	C	97.2	Very high	94.4	Very high	4 Å²	4	63 Å²	63	3%	0.027	33%	0.331	C	S	.	.			trans	-98.3	152.6	-176.7	-60.4	0	0	0	0	113.5	V94 C109 D112 G114 Y118	V94-C116 PolarHBondContact N-O 2.7Å; V94-C116 PolarHBondContact O-N 3.18Å; C109-C116 VanDerWaalsContact CA-SG 3.51Å; C109-C116 HydrophobicContact CB-CB 3.96Å; C109-C116 WeakPolarHBondContact CB-SG 3.42Å; C109-C116 VanDerWaalsContact SG-CA 3.54Å; C109-C116 WeakPolarHBondContact SG-CB 3.23Å; C109-C116 CovalentContact SG-SG 2.04Å; C109-C116 PolarHBondContact SG-SG 2.84Å; D112-C116 VanDerWaalsContact C-SG 3.54Å; G114-C116 VanDerWaalsContact C-N 3.29Å; G114-C116 PolarHBondContact O-N 2.78Å; C116-Y118 HydrophobicContact CB-CE1 4.26Å; C116-Y118 HydrophobicContact CB-CE2 3.84Å
117	H	97.6	Very high	94.3	Very high	93 Å²	93	64.3 Å²	64.3	43%	0.431	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114	165.8	179.1	54.2	0	0	0	108.9	S91 N93 N119	S91-H117 PolarHBondContact OG-CE1 2.67Å; S91-H117 VanDerWaalsContact OG-CE1 3.27Å; N93-H117 PolarHBondContact ND2-ND1 2.68Å; N93-H117 WeakPolarHBondContact OD1-CB 3.35Å; N93-H117 VanDerWaalsContact OD1-CG 3.28Å; N93-H117 PolarHBondContact OD1-ND1 3.38Å; H117-N119 PolarHBondContact CD2-OD1 2.73Å; H117-N119 PolarHBondContact NE2-OD1 2.79Å
118	Y	96.8	Very high	94.1	Very high	44 Å²	44	70.1 Å²	70.1	17%	0.173	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.9	172.5	-51.2	-84.8	0	0	0	108.2	S91 L92 V94 D112 C116 D120 V124	S91-Y118 CarbonylContact C-O 3.58Å; S91-Y118 WeakPolarHBondContact CA-O 3.27Å; L92-Y118 HydrophobicContact CB-CD2 4.22Å; L92-Y118 HydrophobicContact CD2-CD2 4.16Å; L92-Y118 HydrophobicContact CG-CD2 4.25Å; L92-Y118 PolarHBondContact N-O 2.71Å; L92-Y118 PolarHBondContact O-N 3.21Å; V94-Y118 HydrophobicContact CG2-CD2 4.3Å; V94-Y118 HydrophobicContact CG2-CE2 3.85Å; D112-Y118 HydrophobicContact CB-CE1 4.12Å; D112-Y118 PolarHBondContact O-OH 2.66Å; C116-Y118 HydrophobicContact CB-CE1 4.26Å; C116-Y118 HydrophobicContact CB-CE2 3.84Å; Y118-D120 VanDerWaalsContact C-N 3.25Å; Y118-D120 PolarHBondContact O-N 2.64Å; Y118-V124 HydrophobicContact CD1-CG2 3.85Å; Y118-V124 HydrophobicContact CG-CG2 4.36Å
119	N	96.6	Very high	94.1	Very high	123 Å²	123	67.7 Å²	67.7	66%	0.658	35%	0.351	S	S	*	.	S	Bend	trans	-63.1	-35.9	-179.9	-66.3	-37	0	0	0	111.7	S91 H117	S91-N119 WeakPolarHBondContact CA-O 3.18Å; H117-N119 PolarHBondContact CD2-OD1 2.73Å; H117-N119 PolarHBondContact NE2-OD1 2.79Å
120	D	97.3	Very high	94.1	Very high	10 Å²	10	67.8 Å²	67.8	5%	0.053	35%	0.351	C	S	.	.			trans	-144.7	103.8	175.2	-168.5	5.3	0	0	0	112.1	S88 P89 L90 Y118 C122 E123 V124	S88-D120 WeakPolarHBondContact CB-OD2 3.32Å; S88-D120 PolarHBondContact OG-OD2 2.92Å; P89-D120 HydrophobicContact CB-CB 4.48Å; L90-D120 PolarHBondContact N-OD1 3.39Å; Y118-D120 VanDerWaalsContact C-N 3.25Å; Y118-D120 PolarHBondContact O-N 2.64Å; D120-C122 PolarHBondContact O-N 2.96Å; D120-C122 WeakPolarHBondContact OD1-CB 3.49Å; D120-C122 PolarHBondContact OD1-N 3.25Å; D120-C122 PolarHBondContact OD1-SG 2.04Å; D120-E123 HydrophobicContact CB-CB 4.36Å; D120-E123 HydrophobicContact CB-CG 4.02Å; D120-E123 PolarHBondContact O-N 3.28Å; D120-E123 VanDerWaalsContact O-N 3.1Å; D120-V124 PolarHBondContact O-N 2.86Å
121	A	96.3	Very high	94.1	Very high	16 Å²	16	68.1 Å²	68.1	13%	0.132	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-22.7	174	0	0	0	0	0	112.5	L90 L92 E123 V124 L125	L90-A121 WeakPolarHBondContact O-CB 3.29Å; L90-A121 PolarHBondContact O-N 2.87Å; L92-A121 HydrophobicContact CB-CB 4.16Å; A121-E123 VanDerWaalsContact C-N 3.34Å; A121-V124 PolarHBondContact O-N 3.43Å; A121-L125 WeakPolarHBondContact O-CG 3.41Å; A121-L125 PolarHBondContact O-N 3.43Å
122	C	97.1	Very high	94.3	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.027	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-35.2	174.6	-58.8	0	0	0	0	112.1	S88 D120 N126 C148	S88-C122 PolarHBondContact N-SG 2.91Å; D120-C122 PolarHBondContact O-N 2.96Å; D120-C122 WeakPolarHBondContact OD1-CB 3.49Å; D120-C122 PolarHBondContact OD1-N 3.25Å; D120-C122 PolarHBondContact OD1-SG 2.04Å; C122-N126 VanDerWaalsContact O-CG 3.28Å; C122-N126 PolarHBondContact O-N 2.6Å; C122-N126 VanDerWaalsContact O-N 3.11Å; C122-N126 PolarHBondContact O-ND2 3.07Å; C122-C148 VanDerWaalsContact CA-SG 3.53Å; C122-C148 HydrophobicContact CB-CB 3.59Å; C122-C148 WeakPolarHBondContact CB-SG 3.19Å; C122-C148 WeakPolarHBondContact SG-CB 3.3Å; C122-C148 CovalentContact SG-SG 2.02Å; C122-C148 PolarHBondContact SG-SG 3.31Å
123	E	95.9	Very high	94.4	Very high	115 Å²	115	64.3 Å²	64.3	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-69.2	-42.8	175	-69	-177.6	166	0	0	110.9	D120 A121 L125 N126 Q127	D120-E123 HydrophobicContact CB-CB 4.36Å; D120-E123 HydrophobicContact CB-CG 4.02Å; D120-E123 PolarHBondContact O-N 3.28Å; D120-E123 VanDerWaalsContact O-N 3.1Å; A121-E123 VanDerWaalsContact C-N 3.34Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 3.2Å; E123-N126 PolarHBondContact O-N 3.42Å; E123-N126 VanDerWaalsContact O-N 3.14Å; E123-Q127 WeakPolarHBondContact O-CG 3.38Å; E123-Q127 PolarHBondContact O-N 2.93Å
124	V	94.2	Very high	94.5	Very high	44 Å²	44	66.8 Å²	66.8	27%	0.267	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-44.8	175	-178.9	0	0	0	0	110.7	Y118 D120 A121 N126 Q127 L128	Y118-V124 HydrophobicContact CD1-CG2 3.85Å; Y118-V124 HydrophobicContact CG-CG2 4.36Å; D120-V124 PolarHBondContact O-N 2.86Å; A121-V124 PolarHBondContact O-N 3.43Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-N126 PolarHBondContact O-N 3.45Å; V124-Q127 PolarHBondContact O-N 3Å; V124-L128 HydrophobicContact CG1-CD1 4.1Å; V124-L128 WeakPolarHBondContact O-CG 3.46Å; V124-L128 PolarHBondContact O-N 3.39Å
125	L	94.9	Very high	94.7	Very high	46 Å²	46	67.5 Å²	67.5	24%	0.241	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-42.6	175.6	-74.8	172.4	0	0	0	112.2	A121 E123 Q127 L128 I129 F150	A121-L125 WeakPolarHBondContact O-CG 3.41Å; A121-L125 PolarHBondContact O-N 3.43Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 3.2Å; L125-Q127 VanDerWaalsContact C-N 3.28Å; L125-Q127 PolarHBondContact O-N 3.07Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-I129 PolarHBondContact O-N 3.14Å; L125-F150 HydrophobicContact CD1-CE2 3.88Å; L125-F150 HydrophobicContact CD1-CZ 3.76Å
126	N	95.2	Very high	94.5	Very high	67 Å²	67	69.6 Å²	69.6	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-24.9	178.7	-70.4	-20.7	0	0	0	113.5	C122 E123 V124 I129 H147	C122-N126 VanDerWaalsContact O-CG 3.28Å; C122-N126 PolarHBondContact O-N 2.6Å; C122-N126 VanDerWaalsContact O-N 3.11Å; C122-N126 PolarHBondContact O-ND2 3.07Å; E123-N126 PolarHBondContact O-N 3.42Å; E123-N126 VanDerWaalsContact O-N 3.14Å; V124-N126 VanDerWaalsContact C-N 3.34Å; V124-N126 PolarHBondContact O-N 3.45Å; N126-I129 CarbonylContact C-O 3.46Å; N126-I129 WeakPolarHBondContact CA-O 3.04Å; N126-I129 CarbonylContact O-C 3.55Å; N126-H147 PolarHBondContact OD1-ND1 2.8Å
127	Q	92.9	Very high	94.3	Very high	151 Å²	151	74.6 Å²	74.6	71%	0.706	41%	0.414	S	S	*	.	H	α-helix	trans	-75.7	-40.3	173.4	-70.9	173.5	-3.1	0	0	111.6	E123 V124 L125	E123-Q127 WeakPolarHBondContact O-CG 3.38Å; E123-Q127 PolarHBondContact O-N 2.93Å; V124-Q127 PolarHBondContact O-N 3Å; L125-Q127 VanDerWaalsContact C-N 3.28Å; L125-Q127 PolarHBondContact O-N 3.07Å
128	L	91.4	Very high	94	Very high	133 Å²	133	71 Å²	71	70%	0.696	40%	0.398	S	S	*	.	H	α-helix	trans	-76.4	-35.5	179.6	-65.6	176.1	0	0	0	112.5	V124 L125	V124-L128 HydrophobicContact CG1-CD1 4.1Å; V124-L128 WeakPolarHBondContact O-CG 3.46Å; V124-L128 PolarHBondContact O-N 3.39Å; L125-L128 PolarHBondContact O-N 3.44Å
129	I	94.2	Very high	93.9	Very high	26 Å²	26	71.2 Å²	71.2	13%	0.133	40%	0.402	C	S	.	.	S	Bend	trans	-129.5	100.9	-179.3	-54.8	167.6	0	0	0	105.7	L125 N126 P136 C146 H147	L125-I129 PolarHBondContact O-N 3.14Å; N126-I129 CarbonylContact C-O 3.46Å; N126-I129 WeakPolarHBondContact CA-O 3.04Å; N126-I129 CarbonylContact O-C 3.55Å; I129-P136 HydrophobicContact CD1-CG 3.83Å; I129-P136 HydrophobicContact CG1-CG 4.4Å; I129-C146 HydrophobicContact CD1-CB 3.76Å; I129-H147 PolarHBondContact O-CE1 2.94Å
130	P	93.7	Very high	93.8	Very high	61 Å²	61	69.7 Å²	69.7	40%	0.396	39%	0.391	S	S	.	.			trans	-62.4	136.8	179.4	-26.8	36.5	0	0	0	112
131	P	91.3	Very high	93.7	Very high	95 Å²	95	73.5 Å²	73.5	62%	0.617	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	146.2	-179.3	26.4	-34.5	0	0	0	111.9
132	G	89.6	Confident	93.6	Very high	87 Å²	87	77.4 Å²	77.4	90%	0.897	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-1.8	-177.7	0	0	0	0	0	114.2
133	Q	90.3	Very high	93.5	Very high	127 Å²	127	80.4 Å²	80.4	59%	0.593	46%	0.458	S	S	*	.	S	Bend	trans	-98	155.3	167.8	-60.4	-173.5	-12.9	0	0	110.4
134	D	92.6	Very high	93.5	Very high	128 Å²	128	76 Å²	76	68%	0.684	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64.8	149.2	170.2	-67.8	-43.3	0	0	0	110.2
135	C	95.5	Very high	93.6	Very high	26 Å²	26	76 Å²	76	18%	0.176	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-59.5	145.8	175	-67.4	0	0	0	0	110.8	L139 H140 C146	C135-L139 HydrophobicContact CB-CB 4.07Å; C135-H140 HydrophobicContact CB-CB 4.33Å; C135-H140 WeakPolarHBondContact O-CB 3.05Å; C135-C146 WeakPolarHBondContact CA-SG 3.32Å; C135-C146 HydrophobicContact CB-CB 3.72Å; C135-C146 WeakPolarHBondContact CB-SG 3.28Å; C135-C146 WeakPolarHBondContact SG-CB 3.48Å; C135-C146 PolarHBondContact SG-N 2.76Å; C135-C146 CovalentContact SG-SG 2.04Å; C135-C146 PolarHBondContact SG-SG 2.8Å
136	P	93.4	Very high	93.7	Very high	61 Å²	61	74 Å²	74	40%	0.396	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-63.7	148.1	176.9	26.4	-33.9	0	0	0	110.5	I129 L139 H140	I129-P136 HydrophobicContact CD1-CG 3.83Å; I129-P136 HydrophobicContact CG1-CG 4.4Å; P136-L139 VanDerWaalsContact O-CB 3.29Å; P136-L139 WeakPolarHBondContact O-CB 3.4Å; P136-L139 PolarHBondContact O-N 2.9Å; P136-H140 PolarHBondContact O-N 2.86Å
137	E	92.9	Very high	93.7	Very high	110 Å²	110	72.8 Å²	72.8	51%	0.514	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	143	169.5	-68.2	-60	162.6	0	0	110.3	H140 T141	E137-H140 IonicContact OE1-CG 2.76Å; E137-H140 IonicContact OE1-ND1 3.83Å; E137-H140 PolarHBondContact OE1-ND1 2.82Å; E137-T141 PolarHBondContact OE1-OG1 2.98Å; E137-T141 WeakPolarHBondContact OE2-CB 3.4Å; E137-T141 PolarHBondContact OE2-N 2.9Å; E137-T141 VanDerWaalsContact OE2-N 3.12Å; E137-T141 PolarHBondContact OE2-OG1 2.74Å
138	P	92.1	Very high	93.8	Very high	16 Å²	16	67 Å²	67	10%	0.104	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.4	5.6	6.4	37.6	-37.6	0	0	0	114.5	H140 T141 Y142 L157 T160 F162	P138-H140 VanDerWaalsContact C-N 3.32Å; P138-H140 PolarHBondContact O-N 2.89Å; P138-T141 PolarHBondContact O-N 2.81Å; P138-Y142 HydrophobicContact CB-CD2 4.1Å; P138-Y142 HydrophobicContact CB-CE2 4.01Å; P138-Y142 WeakPolarHBondContact O-CD2 3.34Å; P138-Y142 PolarHBondContact O-N 2.76Å; P138-L157 HydrophobicContact CB-CD1 4.4Å; P138-L157 HydrophobicContact CG-CD1 3.92Å; P138-T160 HydrophobicContact CB-CG2 3.81Å; P138-T160 HydrophobicContact CG-CG2 3.91Å; P138-F162 HydrophobicContact CG-CD1 4.41Å; P138-F162 HydrophobicContact CG-CE1 3.37Å; P138-F162 HydrophobicContact CG-CZ 3.53Å
139	L	94.4	Very high	94.1	Very high	49 Å²	49	64 Å²	64	26%	0.257	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-41.7	-174.4	-59.3	-178.5	0	0	0	111.2	C135 P136 Y142 G143 L144 C146	C135-L139 HydrophobicContact CB-CB 4.07Å; P136-L139 VanDerWaalsContact O-CB 3.29Å; P136-L139 WeakPolarHBondContact O-CB 3.4Å; P136-L139 PolarHBondContact O-N 2.9Å; L139-Y142 CarbonylContact O-C 3.4Å; L139-Y142 PolarHBondContact O-N 2.89Å; L139-G143 PolarHBondContact O-N 2.8Å; L139-G143 VanDerWaalsContact O-N 3.07Å; L139-L144 HydrophobicContact CB-CB 4.07Å; L139-L144 HydrophobicContact CD2-CB 3.91Å; L139-L144 HydrophobicContact CD2-CD1 3.75Å; L139-L144 HydrophobicContact CD2-CG 4.5Å; L139-L144 PolarHBondContact O-N 3.2Å; L139-C146 HydrophobicContact CD1-CB 3.96Å
140	H	94.7	Very high	94.2	Very high	91 Å²	91	64.7 Å²	64.7	42%	0.421	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-49.2	177.8	170.7	-98.5	0	0	0	112.6	C135 P136 E137 P138 Y142 G143	C135-H140 HydrophobicContact CB-CB 4.33Å; C135-H140 WeakPolarHBondContact O-CB 3.05Å; P136-H140 PolarHBondContact O-N 2.86Å; E137-H140 IonicContact OE1-CG 2.76Å; E137-H140 IonicContact OE1-ND1 3.83Å; E137-H140 PolarHBondContact OE1-ND1 2.82Å; P138-H140 VanDerWaalsContact C-N 3.32Å; P138-H140 PolarHBondContact O-N 2.89Å; H140-Y142 PolarHBondContact O-N 3.02Å; H140-Y142 VanDerWaalsContact O-N 3.15Å; H140-G143 PolarHBondContact O-N 2.04Å
141	T	94.5	Very high	94.4	Very high	91 Å²	91	69 Å²	69	56%	0.558	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.3	175.6	-69.6	0	0	0	0	113.1	E137 P138	E137-T141 PolarHBondContact OE1-OG1 2.98Å; E137-T141 WeakPolarHBondContact OE2-CB 3.4Å; E137-T141 PolarHBondContact OE2-N 2.9Å; E137-T141 VanDerWaalsContact OE2-N 3.12Å; E137-T141 PolarHBondContact OE2-OG1 2.74Å; P138-T141 PolarHBondContact O-N 2.81Å
142	Y	94.9	Very high	94.8	Very high	97 Å²	97	67.3 Å²	67.3	38%	0.38	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	7.5	-178.4	-63.7	-62.4	0	0	0	114.3	P138 L139 H140 L144 L157 P158 T160	P138-Y142 HydrophobicContact CB-CD2 4.1Å; P138-Y142 HydrophobicContact CB-CE2 4.01Å; P138-Y142 WeakPolarHBondContact O-CD2 3.34Å; P138-Y142 PolarHBondContact O-N 2.76Å; L139-Y142 CarbonylContact O-C 3.4Å; L139-Y142 PolarHBondContact O-N 2.89Å; H140-Y142 PolarHBondContact O-N 3.02Å; H140-Y142 VanDerWaalsContact O-N 3.15Å; Y142-L144 PolarHBondContact O-N 2.89Å; Y142-L157 HydrophobicContact CD2-CD1 3.54Å; Y142-L157 HydrophobicContact CE2-CD1 3.87Å; Y142-L157 HydrophobicContact CG-CD1 4.47Å; Y142-P158 HydrophobicContact CD1-CG 3.81Å; Y142-P158 HydrophobicContact CD2-CG 4.38Å; Y142-P158 HydrophobicContact CE1-CG 3.26Å; Y142-P158 HydrophobicContact CE2-CG 3.89Å; Y142-P158 HydrophobicContact CG-CG 4.35Å; Y142-T160 WeakPolarHBondContact CE2-OG1 3.03Å
143	G	95.1	Very high	95.2	Very high	67 Å²	67	64.6 Å²	64.6	69%	0.691	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	26.3	-179.3	0	0	0	0	0	113.5	L139 H140	L139-G143 PolarHBondContact O-N 2.8Å; L139-G143 VanDerWaalsContact O-N 3.07Å; H140-G143 PolarHBondContact O-N 2.04Å
144	L	96.8	Very high	95.6	Very high	22 Å²	22	62.7 Å²	62.7	12%	0.115	37%	0.367	C	S	.	.			trans	-83.3	128.8	178.9	-65.2	174.1	0	0	0	109.6	L139 Y142 Y155 L157	L139-L144 HydrophobicContact CB-CB 4.07Å; L139-L144 HydrophobicContact CD2-CB 3.91Å; L139-L144 HydrophobicContact CD2-CD1 3.75Å; L139-L144 HydrophobicContact CD2-CG 4.5Å; L139-L144 PolarHBondContact O-N 3.2Å; Y142-L144 PolarHBondContact O-N 2.89Å; L144-Y155 HydrophobicContact CD2-CD1 4.02Å; L144-L157 HydrophobicContact CD1-CB 3.93Å; L144-L157 HydrophobicContact CD1-CD1 4.11Å
145	P	95.6	Very high	95.8	Very high	46 Å²	46	59.6 Å²	59.6	30%	0.299	35%	0.346	S	S	.	.			trans	-67.4	145.5	176.5	29.7	-36.3	0	0	0	110.9	F150 Y155	P145-F150 HydrophobicContact CB-CD1 4.11Å; P145-F150 HydrophobicContact CB-CE1 4.16Å; P145-F150 HydrophobicContact CG-CD1 3.59Å; P145-F150 HydrophobicContact CG-CE1 3.93Å; P145-F150 WeakPolarHBondContact O-CE1 3.25Å; P145-Y155 HydrophobicContact CG-CD1 4.27Å; P145-Y155 HydrophobicContact CG-CE1 3.6Å
146	C	95.8	Very high	96	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.027	36%	0.362	C	S	.	.			trans	-118.2	2.6	173.6	58.6	0	0	0	0	112.9	I129 C135 L139	I129-C146 HydrophobicContact CD1-CB 3.76Å; C135-C146 WeakPolarHBondContact CA-SG 3.32Å; C135-C146 HydrophobicContact CB-CB 3.72Å; C135-C146 WeakPolarHBondContact CB-SG 3.28Å; C135-C146 WeakPolarHBondContact SG-CB 3.48Å; C135-C146 PolarHBondContact SG-N 2.76Å; C135-C146 CovalentContact SG-SG 2.04Å; C135-C146 PolarHBondContact SG-SG 2.8Å; L139-C146 HydrophobicContact CD1-CB 3.96Å
147	H	95.7	Very high	96.1	Very high	40 Å²	40	60.2 Å²	60.2	19%	0.185	35%	0.35	C	S	.	.	S	Bend	trans	-127.8	150.6	177.5	-66.6	-86.1	0	0	0	111.1	N126 I129	N126-H147 PolarHBondContact OD1-ND1 2.8Å; I129-H147 PolarHBondContact O-CE1 2.94Å
148	C	95.8	Very high	96.3	Very high	31 Å²	31	57.3 Å²	57.3	21%	0.209	34%	0.341	C	S	.	.	S	Bend	trans	-69.3	151.2	166.4	-64.7	0	0	0	0	111.5	C122	C122-C148 VanDerWaalsContact CA-SG 3.53Å; C122-C148 HydrophobicContact CB-CB 3.59Å; C122-C148 WeakPolarHBondContact CB-SG 3.19Å; C122-C148 WeakPolarHBondContact SG-CB 3.3Å; C122-C148 CovalentContact SG-SG 2.02Å; C122-C148 PolarHBondContact SG-SG 3.31Å
149	P	96.8	Very high	96.6	Very high	70 Å²	70	63.7 Å²	63.7	46%	0.455	37%	0.369	S	S	.	.	P	Polyproline II helix	cis	-82.2	138.4	-2.9	32.2	-34	0	0	0	113.2	K85 L86 A87 K151	K85-P149 HydrophobicContact CD-CB 3.8Å; K85-P149 HydrophobicContact CD-CG 4.24Å; K85-P149 HydrophobicContact CG-CB 3.77Å; L86-P149 CarbonylContact O-C 3.58Å; L86-P149 VanDerWaalsContact O-CA 3.22Å; L86-P149 WeakPolarHBondContact O-CA 3.49Å; A87-P149 HydrophobicContact CB-CB 3.9Å; P149-K151 PolarHBondContact O-N 2.72Å
150	F	97.7	Very high	96.6	Very high	40 Å²	40	62.3 Å²	62.3	18%	0.175	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-78.1	120.8	166.9	-57.7	-89.3	0	0	0	108.7	K85 L86 L125 P145	K85-F150 CarbonylContact C-O 3.44Å; K85-F150 VanDerWaalsContact CA-O 3.31Å; K85-F150 WeakPolarHBondContact CA-O 3.23Å; L86-F150 HydrophobicContact CB-CB 4.15Å; L86-F150 HydrophobicContact CB-CD2 4.4Å; L86-F150 HydrophobicContact CD1-CB 4.41Å; L86-F150 PolarHBondContact N-O 2.86Å; L86-F150 PolarHBondContact O-N 3.06Å; L125-F150 HydrophobicContact CD1-CE2 3.88Å; L125-F150 HydrophobicContact CD1-CZ 3.76Å; P145-F150 HydrophobicContact CB-CD1 4.11Å; P145-F150 HydrophobicContact CB-CE1 4.16Å; P145-F150 HydrophobicContact CG-CD1 3.59Å; P145-F150 HydrophobicContact CG-CE1 3.93Å; P145-F150 WeakPolarHBondContact O-CE1 3.25Å
151	K	97.9	Very high	96.7	Very high	152 Å²	152	64.5 Å²	64.5	66%	0.661	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-71	159.1	-178.6	-66.1	179.7	-178.9	174.1	0	110.9	T82 P149 G153 Y155	T82-K151 WeakPolarHBondContact CG2-O 3.22Å; P149-K151 PolarHBondContact O-N 2.72Å; K151-G153 PolarHBondContact O-N 2.97Å; K151-Y155 PolarHBondContact N-OH 2.86Å; K151-Y155 VanDerWaalsContact N-OH 3.12Å; K151-Y155 PolarHBondContact O-OH 3.02Å
152	A	98.4	Very high	96.5	Very high	59 Å²	59	62.9 Å²	62.9	49%	0.488	36%	0.359	S	S	.	.	S	Bend	trans	-60.2	135.5	167.1	0	0	0	0	0	109.3	T82	T82-A152 CarbonylContact O-C 3.58Å; T82-A152 WeakPolarHBondContact O-CA 3.32Å
153	G	98.2	Very high	96.4	Very high	30 Å²	30	65.9 Å²	65.9	31%	0.309	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-177.2	-175.4	0	0	0	0	0	113.8	S81 T82 K151	S81-G153 CarbonylContact C-O 3.56Å; S81-G153 WeakPolarHBondContact CA-O 3.37Å; S81-G153 VanDerWaalsContact CB-O 3.29Å; S81-G153 WeakPolarHBondContact CB-O 3.37Å; T82-G153 PolarHBondContact N-O 2.86Å; T82-G153 PolarHBondContact O-N 3.12Å; K151-G153 PolarHBondContact O-N 2.97Å
154	S	98.2	Very high	96.2	Very high	86 Å²	86	64.4 Å²	64.4	60%	0.601	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	139.3	170	-65.4	0	0	0	0	109.6	K59 G80	K59-S154 PolarHBondContact NZ-OG 3.35Å; G80-S154 WeakPolarHBondContact O-CA 3.18Å
155	Y	98.1	Very high	95.8	Very high	64 Å²	64	66.7 Å²	66.7	25%	0.251	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.7	-179.4	-63.2	-82.8	0	0	0	108.2	S79 G80 T82 L144 P145 K151	S79-Y155 CarbonylContact C-O 3.58Å; S79-Y155 VanDerWaalsContact CA-O 3.27Å; S79-Y155 WeakPolarHBondContact CA-O 3.45Å; G80-Y155 PolarHBondContact N-O 2.95Å; G80-Y155 PolarHBondContact O-N 3.24Å; T82-Y155 HydrophobicContact CG2-CE2 4.16Å; L144-Y155 HydrophobicContact CD2-CD1 4.02Å; P145-Y155 HydrophobicContact CG-CD1 4.27Å; P145-Y155 HydrophobicContact CG-CE1 3.6Å; K151-Y155 PolarHBondContact N-OH 2.86Å; K151-Y155 VanDerWaalsContact N-OH 3.12Å; K151-Y155 PolarHBondContact O-OH 3.02Å
156	S	98	Very high	95.3	Very high	73 Å²	73	72.3 Å²	72.3	51%	0.51	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	122.2	-179	-168.6	0	0	0	0	110.3	A78	A78-S156 WeakPolarHBondContact O-CA 3.14Å
157	L	97.4	Very high	94.4	Very high	26 Å²	26	76.1 Å²	76.1	14%	0.136	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.7	164.5	177.4	69.4	0	0	0	106.9	A78 P138 Y142 L144 F162	A78-L157 PolarHBondContact N-O 2.91Å; A78-L157 PolarHBondContact O-N 2.84Å; A78-L157 VanDerWaalsContact O-O 3.09Å; P138-L157 HydrophobicContact CB-CD1 4.4Å; P138-L157 HydrophobicContact CG-CD1 3.92Å; Y142-L157 HydrophobicContact CD2-CD1 3.54Å; Y142-L157 HydrophobicContact CE2-CD1 3.87Å; Y142-L157 HydrophobicContact CG-CD1 4.47Å; L144-L157 HydrophobicContact CD1-CB 3.93Å; L144-L157 HydrophobicContact CD1-CD1 4.11Å; L157-F162 HydrophobicContact CD2-CE2 4.42Å; L157-F162 HydrophobicContact CD2-CZ 3.86Å
158	P	96.9	Very high	93.4	Very high	50 Å²	50	81.4 Å²	81.4	33%	0.325	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	179	174.4	31.5	-35.7	0	0	0	110.5	Y142 T160	Y142-P158 HydrophobicContact CD1-CG 3.81Å; Y142-P158 HydrophobicContact CD2-CG 4.38Å; Y142-P158 HydrophobicContact CE1-CG 3.26Å; Y142-P158 HydrophobicContact CE2-CG 3.89Å; Y142-P158 HydrophobicContact CG-CG 4.35Å; P158-T160 PolarHBondContact O-N 3.07Å; P158-T160 PolarHBondContact O-OG1 3.15Å
159	Q	97.1	Very high	92.2	Very high	149 Å²	149	82.4 Å²	82.4	70%	0.696	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	113.8	178	-170.9	176.6	-81.7	0	0	110.7	T75 A77	T75-Q159 HydrophobicContact CG2-CG 3.3Å; A77-Q159 HydrophobicContact CB-CB 4.24Å
160	T	96.1	Very high	91.2	Very high	20 Å²	20	80.9 Å²	80.9	12%	0.123	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.7	-177.3	-55.3	0	0	0	0	109.7	T75 A76 P138 Y142 P158 F162	T75-T160 WeakPolarHBondContact CA-O 3Å; A76-T160 PolarHBondContact N-O 2.99Å; A76-T160 PolarHBondContact O-N 3.4Å; P138-T160 HydrophobicContact CB-CG2 3.81Å; P138-T160 HydrophobicContact CG-CG2 3.91Å; Y142-T160 WeakPolarHBondContact CE2-OG1 3.03Å; P158-T160 PolarHBondContact O-N 3.07Å; P158-T160 PolarHBondContact O-OG1 3.15Å; T160-F162 HydrophobicContact CG2-CE2 4.11Å; T160-F162 HydrophobicContact CG2-CZ 4.13Å; T160-F162 WeakPolarHBondContact O-CD2 2.9Å; T160-F162 VanDerWaalsContact O-CE2 3.31Å; T160-F162 WeakPolarHBondContact O-CE2 3.22Å
161	Q	95.1	Very high	90.1	Very high	138 Å²	138	88.5 Å²	88.5	65%	0.645	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.4	174.1	-174.1	177.6	74.7	0	0	110	L74	L74-Q161 CarbonylContact O-C 3.59Å; L74-Q161 WeakPolarHBondContact O-CA 3.29Å
162	F	91.9	Very high	88.9	Confident	57 Å²	57	83 Å²	83	25%	0.25	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.9	178.4	-57.1	-97.8	0	0	0	108.2	S73 L74 A76 P138 L157 T160	S73-F162 CarbonylContact C-O 3.52Å; S73-F162 WeakPolarHBondContact CA-O 3.32Å; L74-F162 HydrophobicContact CB-CB 4.37Å; L74-F162 PolarHBondContact N-O 2.84Å; L74-F162 PolarHBondContact O-N 2.91Å; A76-F162 HydrophobicContact CB-CD2 4.4Å; A76-F162 HydrophobicContact CB-CE2 4.01Å; P138-F162 HydrophobicContact CG-CD1 4.41Å; P138-F162 HydrophobicContact CG-CE1 3.37Å; P138-F162 HydrophobicContact CG-CZ 3.53Å; L157-F162 HydrophobicContact CD2-CE2 4.42Å; L157-F162 HydrophobicContact CD2-CZ 3.86Å; T160-F162 HydrophobicContact CG2-CE2 4.11Å; T160-F162 HydrophobicContact CG2-CZ 4.13Å; T160-F162 WeakPolarHBondContact O-CD2 2.9Å; T160-F162 VanDerWaalsContact O-CE2 3.31Å; T160-F162 WeakPolarHBondContact O-CE2 3.22Å
163	Y	92.4	Very high	87.7	Confident	159 Å²	159	82.1 Å²	82.1	62%	0.624	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.7	168.2	-174	-99.4	0	0	0	108.9	P165	Y163-P165 WeakPolarHBondContact O-CD 3.44Å
164	L	90.4	Very high	86.7	Confident	37 Å²	37	83.8 Å²	83.8	19%	0.194	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.5	173.2	-59.1	-179	0	0	0	108	I68 I70 P71 G72 L74	I68-L164 HydrophobicContact CG2-CD1 3.51Å; I70-L164 HydrophobicContact CG1-CD1 3.97Å; P71-L164 CarbonylContact C-O 3.53Å; P71-L164 WeakPolarHBondContact CA-O 3.31Å; P71-L164 WeakPolarHBondContact CB-O 3.36Å; G72-L164 PolarHBondContact N-O 3Å; G72-L164 PolarHBondContact O-N 3.3Å; L74-L164 HydrophobicContact CB-CD1 4.08Å; L74-L164 HydrophobicContact CB-CG 4.06Å; L74-L164 HydrophobicContact CD2-CD1 4.21Å; L74-L164 HydrophobicContact CD2-CD2 4.26Å; L74-L164 HydrophobicContact CD2-CG 4.47Å
165	P	89	Confident	86.3	Confident	70 Å²	70	83.1 Å²	83.1	46%	0.455	41%	0.405	S	S	.	.			trans	-72	174.3	177.8	32.7	-35.8	0	0	0	110.9	Y163 M167	Y163-P165 WeakPolarHBondContact O-CD 3.44Å; P165-M167 PolarHBondContact O-N 3.13Å
166	Y	84.9	Confident	86	Confident	163 Å²	163	81.1 Å²	81.1	64%	0.639	40%	0.404	S	S	*	.			trans	-61.4	133.3	164.3	-167.3	-93.3	0	0	0	108.6
167	M	76.6	Confident	85.8	Confident	84 Å²	84	79.4 Å²	79.4	41%	0.414	39%	0.389	S	S	.	.			trans	-124.2	134.1	177.2	-57.1	-166.1	-63.6	0	0	107.5	I70 P165 L169	I70-M167 HydrophobicContact CD1-CE 4.03Å; I70-M167 HydrophobicContact CG2-CE 4.4Å; P165-M167 PolarHBondContact O-N 3.13Å; M167-L169 HydrophobicContact CB-CD2 3.79Å; M167-L169 HydrophobicContact CB-CG 3.87Å; M167-L169 HydrophobicContact CE-CD1 4.2Å; M167-L169 HydrophobicContact CE-CD2 4Å; M167-L169 HydrophobicContact CE-CG 4.44Å; M167-L169 PolarHBondContact O-N 2.79Å
168	D	74.2	Confident	85.6	Confident	152 Å²	152	78.5 Å²	78.5	81%	0.813	38%	0.384	S	S	*	.			trans	-71.5	77.3	172.6	-68.2	-42.4	0	0	0	108.9
169	L	71.5	Confident	85.6	Confident	52 Å²	52	81.1 Å²	81.1	27%	0.272	39%	0.387	S	S	.	.			trans	-82.3	139.5	-178.3	-64.8	-176.7	0	0	0	110	I70 M167 L173	I70-L169 HydrophobicContact CD1-CD1 4.39Å; M167-L169 HydrophobicContact CB-CD2 3.79Å; M167-L169 HydrophobicContact CB-CG 3.87Å; M167-L169 HydrophobicContact CE-CD1 4.2Å; M167-L169 HydrophobicContact CE-CD2 4Å; M167-L169 HydrophobicContact CE-CG 4.44Å; M167-L169 PolarHBondContact O-N 2.79Å; L169-L173 HydrophobicContact CB-CB 4.3Å; L169-L173 HydrophobicContact CB-CD2 4.47Å; L169-L173 HydrophobicContact CD1-CD2 3.96Å; L169-L173 HydrophobicContact CD1-CG 4.33Å; L169-L173 HydrophobicContact CD2-CD2 3.72Å; L169-L173 HydrophobicContact CG-CD2 4.23Å
170	P	75.1	Confident	85.6	Confident	37 Å²	37	75.5 Å²	75.5	24%	0.24	36%	0.363	C	S	.	.			trans	-54.6	147.2	170	-25.9	35.1	0	0	0	111	L113 W172 L173	L113-P170 HydrophobicContact CD1-CG 4.38Å; P170-W172 VanDerWaalsContact CB-CD1 3.48Å; P170-W172 HydrophobicContact CB-CD2 3.94Å; P170-W172 HydrophobicContact CB-CG 4.01Å; P170-W172 HydrophobicContact CB-CZ2 3.88Å; P170-W172 HydrophobicContact CG-CZ2 3.69Å; P170-W172 PolarHBondContact O-N 2.54Å; P170-L173 PolarHBondContact O-N 3.39Å
171	Y	75.1	Confident	85.8	Confident	200 Å²	200	77.4 Å²	77.4	78%	0.784	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-54.5	-22.1	-177.4	70.8	-90.5	0	0	0	114.1	T174	Y171-T174 WeakPolarHBondContact O-CB 3.45Å; Y171-T174 WeakPolarHBondContact O-CG2 3.29Å; Y171-T174 PolarHBondContact O-OG1 3.32Å
172	W	72.4	Confident	85.9	Confident	37 Å²	37	71.7 Å²	71.7	14%	0.14	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-78.1	-22.8	176.9	55.9	-103.4	0	0	0	113.3	L96 K98 V107 L113 P170 T174 Y178	L96-W172 HydrophobicContact CD2-CZ3 3.88Å; K98-W172 VanDerWaalsContact CD-O 3.29Å; K98-W172 WeakPolarHBondContact CD-O 3.28Å; K98-W172 PolarHBondContact NZ-O 2.97Å; V107-W172 HydrophobicContact CG1-CD2 3.96Å; V107-W172 HydrophobicContact CG1-CE3 3.45Å; V107-W172 VanDerWaalsContact CG1-CE3 3.45Å; V107-W172 HydrophobicContact CG1-CH2 3.83Å; V107-W172 HydrophobicContact CG1-CZ2 4.27Å; V107-W172 HydrophobicContact CG1-CZ3 3.39Å; V107-W172 HydrophobicContact CG2-CE3 4.44Å; L113-W172 HydrophobicContact CB-CH2 3.92Å; L113-W172 HydrophobicContact CB-CZ2 4.15Å; P170-W172 VanDerWaalsContact CB-CD1 3.48Å; P170-W172 HydrophobicContact CB-CD2 3.94Å; P170-W172 HydrophobicContact CB-CG 4.01Å; P170-W172 HydrophobicContact CB-CZ2 3.88Å; P170-W172 HydrophobicContact CG-CZ2 3.69Å; P170-W172 PolarHBondContact O-N 2.54Å; W172-T174 VanDerWaalsContact C-N 3.26Å; W172-T174 PolarHBondContact O-N 3.33Å; W172-Y178 PolarHBondContact O-OH 2.95Å
173	L	72.1	Confident	86.2	Confident	41 Å²	41	70.3 Å²	70.3	22%	0.215	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-93.6	38.8	176.6	-159.4	73.3	0	0	0	112.1	L96 L169 P170 Y178	L96-L173 HydrophobicContact CD2-CD1 4.02Å; L169-L173 HydrophobicContact CB-CB 4.3Å; L169-L173 HydrophobicContact CB-CD2 4.47Å; L169-L173 HydrophobicContact CD1-CD2 3.96Å; L169-L173 HydrophobicContact CD1-CG 4.33Å; L169-L173 HydrophobicContact CD2-CD2 3.72Å; L169-L173 HydrophobicContact CG-CD2 4.23Å; P170-L173 PolarHBondContact O-N 3.39Å; L173-Y178 VanDerWaalsContact C-OH 3.31Å; L173-Y178 WeakPolarHBondContact CA-OH 3.1Å; L173-Y178 HydrophobicContact CD1-CD1 4.47Å; L173-Y178 HydrophobicContact CD1-CE1 3.8Å
174	T	78.8	Confident	86.5	Confident	64 Å²	64	64.3 Å²	64.3	39%	0.393	32%	0.323	S	S	.	.	S	Bend	trans	-88.1	-167	177.9	44.5	0	0	0	0	112.4	K98 Y171 W172 G176 Y178	K98-T174 PolarHBondContact NZ-OG1 3.37Å; Y171-T174 WeakPolarHBondContact O-CB 3.45Å; Y171-T174 WeakPolarHBondContact O-CG2 3.29Å; Y171-T174 PolarHBondContact O-OG1 3.32Å; W172-T174 VanDerWaalsContact C-N 3.26Å; W172-T174 PolarHBondContact O-N 3.33Å; T174-G176 PolarHBondContact O-N 2.84Å; T174-Y178 PolarHBondContact N-OH 2.91Å; T174-Y178 PolarHBondContact O-OH 3.28Å
175	N	89.3	Confident	86.9	Confident	73 Å²	73	63 Å²	63	39%	0.39	32%	0.319	S	S	.	.	S	Bend	trans	-47.9	134.3	177	-62.5	-9.8	0	0	0	112.9	V200 S202	N175-V200 WeakPolarHBondContact CA-O 3.37Å; N175-S202 PolarHBondContact ND2-O 2.89Å; N175-S202 WeakPolarHBondContact OD1-CA 3.4Å; N175-S202 WeakPolarHBondContact OD1-CB 3.44Å; N175-S202 PolarHBondContact OD1-N 2.96Å; N175-S202 PolarHBondContact OD1-O 2.99Å
176	G	91.4	Very high	87.3	Confident	22 Å²	22	60.6 Å²	60.6	23%	0.227	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.7	-174.9	175.1	0	0	0	0	0	114.7	T174 Y178 S199 V200	T174-G176 PolarHBondContact O-N 2.84Å; G176-Y178 WeakPolarHBondContact O-CD2 3.36Å; G176-Y178 WeakPolarHBondContact O-CE2 3.29Å; G176-S199 WeakPolarHBondContact O-CA 3.4Å; G176-V200 PolarHBondContact N-O 3.45Å; G176-V200 PolarHBondContact O-N 3.42Å
177	N	94	Very high	87.6	Confident	37 Å²	37	56.7 Å²	56.7	20%	0.198	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.5	179.5	-53.5	-32.7	0	0	0	109.3	L42 E99 W104 S199	L42-N177 HydrophobicContact CD1-CB 4.29Å; L42-N177 VanDerWaalsContact CD1-ND2 3.29Å; L42-N177 WeakPolarHBondContact CD1-ND2 3.29Å; E99-N177 HydrophobicContact CB-CB 4.07Å; E99-N177 PolarHBondContact N-O 2.92Å; E99-N177 PolarHBondContact OE2-ND2 2.78Å; W104-N177 HydrophobicContact CH2-CB 4.05Å; N177-S199 PolarHBondContact OD1-OG 2.91Å
178	Y	94.3	Very high	88.3	Confident	6 Å²	6	57 Å²	57	2%	0.024	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.5	-174.7	-66.2	-87.3	0	0	0	111	L96 E97 K98 W172 L173 T174 G176 S197 L198 V200	L96-Y178 HydrophobicContact CD1-CD1 3.87Å; E97-Y178 CarbonylContact O-C 3.58Å; E97-Y178 VanDerWaalsContact O-CA 3.3Å; E97-Y178 WeakPolarHBondContact O-CA 3.07Å; K98-Y178 HydrophobicContact CB-CD1 4.04Å; K98-Y178 HydrophobicContact CB-CE1 3.81Å; K98-Y178 HydrophobicContact CD-CE1 3.79Å; K98-Y178 WeakPolarHBondContact CE-OH 3.1Å; K98-Y178 HydrophobicContact CG-CD1 4.27Å; K98-Y178 HydrophobicContact CG-CE1 3.76Å; K98-Y178 PolarHBondContact NZ-OH 2.83Å; K98-Y178 VanDerWaalsContact NZ-OH 3.13Å; W172-Y178 PolarHBondContact O-OH 2.95Å; L173-Y178 VanDerWaalsContact C-OH 3.31Å; L173-Y178 WeakPolarHBondContact CA-OH 3.1Å; L173-Y178 HydrophobicContact CD1-CD1 4.47Å; L173-Y178 HydrophobicContact CD1-CE1 3.8Å; T174-Y178 PolarHBondContact N-OH 2.91Å; T174-Y178 PolarHBondContact O-OH 3.28Å; G176-Y178 WeakPolarHBondContact O-CD2 3.36Å; G176-Y178 WeakPolarHBondContact O-CE2 3.29Å; Y178-S197 VanDerWaalsContact O-CA 3.25Å; Y178-S197 WeakPolarHBondContact O-CA 3.49Å; Y178-L198 HydrophobicContact CD2-CD1 4.26Å; Y178-L198 PolarHBondContact N-O 2.85Å; Y178-L198 PolarHBondContact O-N 3.35Å; Y178-V200 HydrophobicContact CD2-CB 4.31Å; Y178-V200 HydrophobicContact CD2-CG2 3.97Å; Y178-V200 HydrophobicContact CE2-CB 4.02Å; Y178-V200 HydrophobicContact CE2-CG2 4.08Å
179	R	96.9	Very high	89.3	Confident	105 Å²	105	57.1 Å²	57.1	40%	0.396	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.8	164.6	-74.7	171.9	-179.3	177.5	1.6	108.6	E97 W104 L196	E97-R179 HydrophobicContact CB-CB 4.34Å; E97-R179 PolarHBondContact N-O 3.03Å; E97-R179 PolarHBondContact O-N 3.16Å; W104-R179 HydrophobicContact CD2-CG 4.41Å; W104-R179 VanDerWaalsContact CE2-NE 3.33Å; W104-R179 HydrophobicContact CE3-CB 4.23Å; W104-R179 HydrophobicContact CE3-CG 3.91Å; W104-R179 HydrophobicContact CH2-CG 3.74Å; W104-R179 HydrophobicContact CZ2-CG 4.26Å; W104-R179 VanDerWaalsContact CZ2-NE 3.27Å; W104-R179 HydrophobicContact CZ3-CB 4.08Å; W104-R179 HydrophobicContact CZ3-CG 3.56Å; W104-R179 VanDerWaalsContact NE1-CZ 3.3Å; R179-L196 CarbonylContact C-O 3.56Å; R179-L196 VanDerWaalsContact CA-O 3.3Å; R179-L196 WeakPolarHBondContact CA-O 3.46Å
180	V	97.3	Very high	90.6	Very high	32 Å²	32	58.4 Å²	58.4	19%	0.194	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.4	174.4	-166.4	0	0	0	0	108.9	V94 T95 L96 K195 L196	V94-V180 HydrophobicContact CG1-CG1 3.87Å; T95-V180 CarbonylContact O-C 3.57Å; T95-V180 VanDerWaalsContact O-CA 3.31Å; T95-V180 WeakPolarHBondContact O-CA 3.48Å; L96-V180 HydrophobicContact CD1-CG2 3.61Å; V180-K195 CarbonylContact O-C 3.5Å; V180-K195 VanDerWaalsContact O-CA 3.31Å; V180-K195 WeakPolarHBondContact O-CA 3.31Å; V180-L196 HydrophobicContact CB-CD1 3.83Å; V180-L196 HydrophobicContact CB-CD2 3.91Å; V180-L196 HydrophobicContact CB-CG 3.68Å; V180-L196 HydrophobicContact CG1-CD2 4.48Å; V180-L196 HydrophobicContact CG2-CD1 3.7Å; V180-L196 HydrophobicContact CG2-CG 4.15Å; V180-L196 PolarHBondContact N-O 3.31Å; V180-L196 PolarHBondContact O-N 3.15Å
181	Q	98.6	Very high	91.7	Very high	59 Å²	59	57.5 Å²	57.5	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.8	165.8	177.9	179.2	-27.9	0	0	108.7	V94 T95 V183 L194 K195	V94-Q181 CarbonylContact C-O 3.57Å; V94-Q181 WeakPolarHBondContact CA-O 3.35Å; T95-Q181 PolarHBondContact N-O 3.44Å; T95-Q181 PolarHBondContact O-N 3.33Å; Q181-V183 HydrophobicContact CG-CG2 4.27Å; Q181-L194 CarbonylContact C-O 3.58Å; Q181-L194 VanDerWaalsContact CA-O 3.3Å; Q181-L194 WeakPolarHBondContact CA-O 3.33Å; Q181-K195 HydrophobicContact CB-CG 3.99Å; Q181-K195 VanDerWaalsContact CD-CE 3.43Å; Q181-K195 HydrophobicContact CG-CG 4Å
182	G	98.4	Very high	92.8	Very high	18 Å²	18	48.2 Å²	48.2	19%	0.186	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.2	170.1	0	0	0	0	0	110.1	N93 C193 L194	N93-G182 CarbonylContact O-C 3.53Å; N93-G182 WeakPolarHBondContact O-CA 3.4Å; G182-C193 CarbonylContact O-C 3.57Å; G182-C193 VanDerWaalsContact O-CA 3.26Å; G182-C193 WeakPolarHBondContact O-CA 3.01Å; G182-L194 PolarHBondContact N-O 2.73Å; G182-L194 PolarHBondContact O-N 3.43Å
183	V	98.6	Very high	94	Very high	28 Å²	28	46.9 Å²	46.9	17%	0.17	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115	172.5	-175.3	0	0	0	0	108.3	N93 Q181 E190 C193	N93-V183 HydrophobicContact CB-CB 4.13Å; N93-V183 PolarHBondContact N-O 3.02Å; N93-V183 PolarHBondContact O-N 3.12Å; Q181-V183 HydrophobicContact CG-CG2 4.27Å; V183-E190 HydrophobicContact CG1-CG 3.75Å; V183-C193 HydrophobicContact CG2-CB 4.33Å
184	L	98.4	Very high	95.3	Very high	33 Å²	33	47 Å²	47	17%	0.173	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.3	177.9	-167.1	71	0	0	0	109.2	A56 L86 L90 S91 L92 L191 G192	A56-L184 HydrophobicContact CB-CD2 4.49Å; L86-L184 HydrophobicContact CD1-CD2 4.02Å; L86-L184 HydrophobicContact CD2-CD2 4.35Å; L90-L184 HydrophobicContact CD1-CD1 4.1Å; L90-L184 HydrophobicContact CD1-CD2 4.27Å; L90-L184 HydrophobicContact CD1-CG 4.07Å; L90-L184 HydrophobicContact CD2-CD1 3.98Å; L90-L184 HydrophobicContact CG-CD1 3.75Å; L90-L184 HydrophobicContact CG-CG 4.29Å; S91-L184 CarbonylContact O-C 3.46Å; L92-L184 HydrophobicContact CD1-CD1 4.35Å; L184-L191 HydrophobicContact CD2-CB 4.5Å; L184-L191 PolarHBondContact O-N 2.88Å; L184-G192 PolarHBondContact N-O 3.15Å; L184-G192 PolarHBondContact O-N 2.82Å
185	G	97.8	Very high	96.2	Very high	10 Å²	10	47.8 Å²	47.8	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.9	-179.2	0	0	0	0	0	113.2	L90 S91 K189	L90-G185 CarbonylContact C-O 3.46Å; S91-G185 PolarHBondContact N-O 2.88Å; S91-G185 PolarHBondContact O-N 2.81Å; G185-K189 CarbonylContact C-O 3.55Å; G185-K189 WeakPolarHBondContact CA-O 3.34Å
186	G	96.9	Very high	96.6	Very high	19 Å²	19	46.2 Å²	46.2	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	142.3	175.9	0	0	0	0	0	110.8	G188 K189	G186-G188 PolarHBondContact O-N 3.42Å; G186-K189 PolarHBondContact N-O 2.61Å; G186-K189 PolarHBondContact O-N 3.01Å; G186-K189 VanDerWaalsContact O-N 3.09Å
187	G	92.8	Very high	96.9	Very high	82 Å²	82	46.7 Å²	46.7	85%	0.845	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	31.7	-176.3	0	0	0	0	0	113.9	K189	G187-K189 VanDerWaalsContact C-N 3.29Å; G187-K189 PolarHBondContact O-N 3.02Å
188	G	91.3	Very high	96.9	Very high	89 Å²	89	46.5 Å²	46.5	92%	0.918	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	9.8	-178.7	0	0	0	0	0	115.4	G186	G186-G188 PolarHBondContact O-N 3.42Å
189	K	95.3	Very high	96.8	Very high	155 Å²	155	46.8 Å²	46.8	67%	0.674	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	149.8	179.1	-63.5	-177.3	179.9	-177.9	0	111.3	G185 G186 G187	G185-K189 CarbonylContact C-O 3.55Å; G185-K189 WeakPolarHBondContact CA-O 3.34Å; G186-K189 PolarHBondContact N-O 2.61Å; G186-K189 PolarHBondContact O-N 3.01Å; G186-K189 VanDerWaalsContact O-N 3.09Å; G187-K189 VanDerWaalsContact C-N 3.29Å; G187-K189 PolarHBondContact O-N 3.02Å
190	E	97.7	Very high	96.6	Very high	80 Å²	80	42.8 Å²	42.8	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.3	165.5	-175.7	179.9	130.2	0	0	109.3	G50 V183	G50-E190 WeakPolarHBondContact CA-OE1 3.18Å; V183-E190 HydrophobicContact CG1-CG 3.75Å
191	L	98.3	Very high	96.1	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-22	178.6	-57.5	-175	0	0	0	112.1	P55 A56 I84 L86 L90 L184	P55-L191 WeakPolarHBondContact CD-O 3.17Å; P55-L191 HydrophobicContact CG-CB 4.06Å; P55-L191 HydrophobicContact CG-CD2 3.94Å; P55-L191 WeakPolarHBondContact CG-O 3.17Å; A56-L191 WeakPolarHBondContact CB-O 3.45Å; A56-L191 PolarHBondContact N-O 2.84Å; I84-L191 HydrophobicContact CD1-CD1 4.25Å; I84-L191 HydrophobicContact CD1-CD2 3.74Å; L86-L191 HydrophobicContact CD2-CB 4.43Å; L86-L191 HydrophobicContact CD2-CD1 3.81Å; L90-L191 HydrophobicContact CD1-CD1 3.95Å; L184-L191 HydrophobicContact CD2-CB 4.5Å; L184-L191 PolarHBondContact O-N 2.88Å
192	G	98.4	Very high	95.3	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	159.4	177.5	0	0	0	0	0	111.5	A56 L184	A56-G192 WeakPolarHBondContact O-CA 3.41Å; L184-G192 PolarHBondContact N-O 3.15Å; L184-G192 PolarHBondContact O-N 2.82Å
193	C	98.7	Very high	93.9	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.068	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.3	175.3	174.4	0	0	0	0	109.9	N48 C49 G182 V183	N48-C193 CarbonylContact C-O 3.59Å; N48-C193 WeakPolarHBondContact CA-O 3.39Å; C49-C193 HydrophobicContact CB-CB 4.12Å; C49-C193 WeakPolarHBondContact CB-SG 3.41Å; C49-C193 PolarHBondContact N-O 3.35Å; C49-C193 WeakPolarHBondContact SG-CB 3.48Å; C49-C193 PolarHBondContact SG-O 3.39Å; C49-C193 VanDerWaalsContact SG-O 3.4Å; C49-C193 CovalentContact SG-SG 2.04Å; C49-C193 PolarHBondContact SG-SG 2.78Å; G182-C193 CarbonylContact O-C 3.57Å; G182-C193 VanDerWaalsContact O-CA 3.26Å; G182-C193 WeakPolarHBondContact O-CA 3.01Å; V183-C193 HydrophobicContact CG2-CB 4.33Å
194	L	98.5	Very high	93.6	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.7	177	-174.7	68.6	0	0	0	110.5	W46 C49 L58 Q181 G182 L196	W46-L194 HydrophobicContact CE3-CD1 3.74Å; W46-L194 HydrophobicContact CZ3-CD1 4.38Å; C49-L194 PolarHBondContact SG-N 2.71Å; L58-L194 HydrophobicContact CB-CD1 4.1Å; L58-L194 HydrophobicContact CD2-CD1 3.57Å; L58-L194 HydrophobicContact CD2-CD2 3.83Å; L58-L194 HydrophobicContact CD2-CG 4.38Å; Q181-L194 CarbonylContact C-O 3.58Å; Q181-L194 VanDerWaalsContact CA-O 3.3Å; Q181-L194 WeakPolarHBondContact CA-O 3.33Å; G182-L194 PolarHBondContact N-O 2.73Å; G182-L194 PolarHBondContact O-N 3.43Å; L194-L196 HydrophobicContact CD2-CD2 4.4Å
195	K	98.4	Very high	93.4	Very high	80 Å²	80	51.4 Å²	51.4	35%	0.348	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.2	166.4	-83	173.6	-178.5	-175.3	0	109.3	W46 K47 C49 V180 Q181	W46-K195 CarbonylContact C-O 3.49Å; W46-K195 WeakPolarHBondContact CA-O 3.25Å; W46-K195 WeakPolarHBondContact CB-O 3.34Å; K47-K195 HydrophobicContact CG-CB 4.01Å; K47-K195 PolarHBondContact N-O 3.32Å; K47-K195 PolarHBondContact O-N 2.8Å; C49-K195 HydrophobicContact CB-CD 4.01Å; C49-K195 HydrophobicContact CB-CG 4.15Å; V180-K195 CarbonylContact O-C 3.5Å; V180-K195 VanDerWaalsContact O-CA 3.31Å; V180-K195 WeakPolarHBondContact O-CA 3.31Å; Q181-K195 HydrophobicContact CB-CG 3.99Å; Q181-K195 VanDerWaalsContact CD-CE 3.43Å; Q181-K195 HydrophobicContact CG-CG 4Å
196	L	96.8	Very high	93.2	Very high	40 Å²	40	53.7 Å²	53.7	21%	0.209	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.8	174.5	64.2	107	0	0	0	111.1	G45 W46 R179 V180 L194 L198	G45-L196 CarbonylContact O-C 3.52Å; G45-L196 VanDerWaalsContact O-CA 3.23Å; G45-L196 WeakPolarHBondContact O-CA 3.36Å; W46-L196 HydrophobicContact CB-CB 4.25Å; R179-L196 CarbonylContact C-O 3.56Å; R179-L196 VanDerWaalsContact CA-O 3.3Å; R179-L196 WeakPolarHBondContact CA-O 3.46Å; V180-L196 HydrophobicContact CB-CD1 3.83Å; V180-L196 HydrophobicContact CB-CD2 3.91Å; V180-L196 HydrophobicContact CB-CG 3.68Å; V180-L196 HydrophobicContact CG1-CD2 4.48Å; V180-L196 HydrophobicContact CG2-CD1 3.7Å; V180-L196 HydrophobicContact CG2-CG 4.15Å; V180-L196 PolarHBondContact N-O 3.31Å; V180-L196 PolarHBondContact O-N 3.15Å; L194-L196 HydrophobicContact CD2-CD2 4.4Å; L196-L198 HydrophobicContact CD1-CD2 3.36Å; L196-L198 HydrophobicContact CD1-CG 4.06Å
197	S	96.6	Very high	92.9	Very high	32 Å²	32	55.8 Å²	55.8	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.7	171.1	54.5	0	0	0	0	108.7	F44 G45 Y178	F44-S197 CarbonylContact C-O 3.5Å; F44-S197 VanDerWaalsContact CA-O 3.32Å; F44-S197 WeakPolarHBondContact CA-O 3.4Å; G45-S197 PolarHBondContact N-O 2.58Å; G45-S197 PolarHBondContact N-OG 3.2Å; G45-S197 PolarHBondContact O-N 2.72Å; G45-S197 PolarHBondContact O-OG 2.79Å; Y178-S197 VanDerWaalsContact O-CA 3.25Å; Y178-S197 WeakPolarHBondContact O-CA 3.49Å
198	L	94.3	Very high	92.9	Very high	34 Å²	34	54.1 Å²	54.1	18%	0.178	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.1	-179.4	59.2	86.2	0	0	0	110.8	F44 I68 Y178 L196 V200	F44-L198 HydrophobicContact CD2-CB 4.34Å; I68-L198 HydrophobicContact CD1-CD2 4.43Å; Y178-L198 HydrophobicContact CD2-CD1 4.26Å; Y178-L198 PolarHBondContact N-O 2.85Å; Y178-L198 PolarHBondContact O-N 3.35Å; L196-L198 HydrophobicContact CD1-CD2 3.36Å; L196-L198 HydrophobicContact CD1-CG 4.06Å; L198-V200 HydrophobicContact CD1-CG2 3.39Å
199	S	93.8	Very high	93.1	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.9	174.9	-57.8	0	0	0	0	108.8	L42 P67 I68 G176 N177	L42-S199 PolarHBondContact O-OG 3.03Å; P67-S199 CarbonylContact C-O 3.56Å; P67-S199 WeakPolarHBondContact CA-O 3.28Å; I68-S199 PolarHBondContact N-O 3.41Å; G176-S199 WeakPolarHBondContact O-CA 3.4Å; N177-S199 PolarHBondContact OD1-OG 2.91Å
200	V	91	Very high	92.9	Very high	21 Å²	21	44.4 Å²	44.4	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.8	176.7	-179.4	0	0	0	0	109.3	I70 N175 G176 Y178 L198	I70-V200 HydrophobicContact CD1-CG1 3.82Å; I70-V200 HydrophobicContact CG1-CG1 4.31Å; N175-V200 WeakPolarHBondContact CA-O 3.37Å; G176-V200 PolarHBondContact N-O 3.45Å; G176-V200 PolarHBondContact O-N 3.42Å; Y178-V200 HydrophobicContact CD2-CB 4.31Å; Y178-V200 HydrophobicContact CD2-CG2 3.97Å; Y178-V200 HydrophobicContact CE2-CB 4.02Å; Y178-V200 HydrophobicContact CE2-CG2 4.08Å; L198-V200 HydrophobicContact CD1-CG2 3.39Å
201	H	88.4	Confident	92.5	Very high	81 Å²	81	41.7 Å²	41.7	38%	0.375	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.4	168	-171.9	64.8	0	0	0	109.2	P67 I68 N69 I70	P67-H201 HydrophobicContact CB-CB 4.11Å; P67-H201 HydrophobicContact CG-CB 4.07Å; I68-H201 PolarHBondContact O-N 3.28Å; I68-H201 VanDerWaalsContact O-O 3.12Å; N69-H201 CarbonylContact C-O 3.51Å; N69-H201 VanDerWaalsContact CA-O 3.25Å; N69-H201 WeakPolarHBondContact CA-O 3.39Å; I70-H201 PolarHBondContact N-O 3.02Å
202	S	80.7	Confident	92	Very high	37 Å²	37	43.8 Å²	43.8	26%	0.259	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.2	-178.9	-178	0	0	0	0	107.2	I70 N175	I70-S202 VanDerWaalsContact O-CA 3.28Å; I70-S202 WeakPolarHBondContact O-CA 3.19Å; I70-S202 PolarHBondContact O-OG 2.83Å; N175-S202 PolarHBondContact ND2-O 2.89Å; N175-S202 WeakPolarHBondContact OD1-CA 3.4Å; N175-S202 WeakPolarHBondContact OD1-CB 3.44Å; N175-S202 PolarHBondContact OD1-N 2.96Å; N175-S202 PolarHBondContact OD1-O 2.99Å
203	S	69	Low	91.5	Very high	130 Å²	130	47.3 Å²	47.3	91%	0.909	27%	0.273	S	S	*	.			trans	-126.6	0	-168.7	50.9	0	0	0	0	110.8

Retrieved 203 of 203 residues in 193.1 ms (Link to these results)

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