A0A096N6T4_PAPAN Loading...

C-type lectin domain containing 19A

AlphaFold DB (A0A2K5Y9X5), UniProt , Accession A0A096N6T4, Species PAPAN (Papio anubis, Olive baboon), Gene CLEC19A, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.8	Very low	48.4	Very low	248 Å²	248	173.8 Å²	173.8	100%	1.222	87%	0.872	S	S	*	*				0	110.5	0	-71.1	172.2	173.4	0	0	107.4
2	Q	35.5	Very low	49.1	Very low	191 Å²	191	173.3 Å²	173.3	89%	0.893	87%	0.873	S	S	*	*			trans	-84.9	139.9	-170.3	-85.7	164.2	-57.3	0	0	112.5
3	R	46	Very low	50.2	Low	225 Å²	225	168.5 Å²	168.5	85%	0.849	86%	0.858	S	S	*	*			trans	-52.5	143.2	167.6	-87.2	172.4	151.3	-161.2	-4.7	112.8
4	W	43.1	Very low	50.9	Low	243 Å²	243	169 Å²	169	92%	0.92	86%	0.862	S	S	*	*			trans	-145.7	122.4	139.6	-70.7	87	0	0	0	109.9
5	T	49.7	Very low	51.3	Low	110 Å²	110	168.8 Å²	168.8	68%	0.675	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-87.9	128.4	169.8	42.4	0	0	0	0	109
6	L	48.4	Very low	52.1	Low	174 Å²	174	164.9 Å²	164.9	91%	0.911	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-95.3	124.1	173.1	-70.6	167.6	0	0	0	109.6
7	W	48.9	Very low	52.8	Low	241 Å²	241	161.4 Å²	161.4	91%	0.913	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-95.4	127.1	169.7	-75.6	48.7	0	0	0	108.2
8	A	50.3	Low	53.5	Low	106 Å²	106	162.1 Å²	162.1	88%	0.876	85%	0.848	S	S	*	*			trans	-95.6	113	168.9	0	0	0	0	0	108.6
9	A	56.3	Low	54.1	Low	83 Å²	83	158.8 Å²	158.8	69%	0.686	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-87.5	119.7	171.3	0	0	0	0	0	109.1
10	A	52.8	Low	54.5	Low	97 Å²	97	160.6 Å²	160.6	80%	0.802	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-81.9	118.2	172	0	0	0	0	0	109.4
11	F	57.6	Low	54.7	Low	194 Å²	194	158.6 Å²	158.6	85%	0.851	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-83.5	116.9	172.6	-75	-88.9	0	0	0	109.4
12	L	56.2	Low	55.6	Low	168 Å²	168	155.5 Å²	155.5	88%	0.88	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.5	117.2	170.8	-71.9	166.1	0	0	0	109	L14	L12-L14 PolarHBondContact O-N 3.19Å
13	T	63.9	Low	56.9	Low	111 Å²	111	151.9 Å²	151.9	68%	0.681	82%	0.818	S	S	*	*			trans	-73	113.5	172.4	50	0	0	0	0	109.9	H15	T13-H15 PolarHBondContact O-N 3.32Å; T13-H15 PolarHBondContact O-ND1 3.33Å
14	L	59.5	Low	57.8	Low	175 Å²	175	148.8 Å²	148.8	92%	0.916	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.6	116.6	168.3	-90.3	104.1	0	0	0	109.4	L12	L12-L14 PolarHBondContact O-N 3.19Å
15	H	57.1	Low	58.7	Low	166 Å²	166	143.4 Å²	143.4	77%	0.769	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.5	127.3	166.2	-74.1	65.1	0	0	0	108.4	T13 A17	T13-H15 PolarHBondContact O-N 3.32Å; T13-H15 PolarHBondContact O-ND1 3.33Å; H15-A17 PolarHBondContact O-N 3.24Å
16	S	63.9	Low	59.4	Low	107 Å²	107	145.6 Å²	145.6	75%	0.748	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.5	122.7	172.6	44.1	0	0	0	0	110.2	Q18	S16-Q18 PolarHBondContact O-N 3.36Å
17	A	63.8	Low	60	Low	105 Å²	105	143.9 Å²	143.9	87%	0.868	80%	0.804	S	S	*	*			trans	-65	114	172.6	0	0	0	0	0	109.3	H15	H15-A17 PolarHBondContact O-N 3.24Å
18	Q	66.8	Low	60.9	Low	173 Å²	173	136.7 Å²	136.7	81%	0.808	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.6	126.9	169.8	-75.5	173.6	-35.5	0	0	108.7	S16 F20	S16-Q18 PolarHBondContact O-N 3.36Å; Q18-F20 PolarHBondContact O-N 3.47Å
19	A	64.4	Low	61.5	Low	101 Å²	101	137.7 Å²	137.7	84%	0.835	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69.1	127.2	173.9	0	0	0	0	0	109.6
20	F	62.3	Low	61.8	Low	193 Å²	193	137.6 Å²	137.6	85%	0.846	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-70.3	137.8	173.1	-68.5	-82.3	0	0	0	110	Q18 Q22	Q18-F20 PolarHBondContact O-N 3.47Å; F20-Q22 PolarHBondContact O-N 3.43Å
21	P	58.6	Low	61.9	Low	120 Å²	120	140.3 Å²	140.3	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66	124.8	175.1	26.1	-30.9	0	0	0	109.6	T23	P21-T23 PolarHBondContact O-N 3.32Å
22	Q	62.2	Low	62.1	Low	183 Å²	183	136 Å²	136	86%	0.855	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-74.7	120.7	173.9	-70.3	178.5	-44.6	0	0	108.6	F20 D24	F20-Q22 PolarHBondContact O-N 3.43Å; Q22-D24 PolarHBondContact O-N 3.47Å
23	T	63	Low	62.5	Low	115 Å²	115	135.8 Å²	135.8	71%	0.706	77%	0.773	S	S	*	*			trans	-82	109.6	169	51.3	0	0	0	0	108.4	P21 I25	P21-T23 PolarHBondContact O-N 3.32Å; T23-I25 VanDerWaalsContact C-N 3.35Å; T23-I25 PolarHBondContact O-N 3.08Å
24	D	64.6	Low	62.3	Low	159 Å²	159	137 Å²	137	85%	0.85	78%	0.775	S	S	*	*			trans	-71	91.7	169.2	-76.2	-32.5	0	0	0	109.2	Q22 N26	Q22-D24 PolarHBondContact O-N 3.47Å; D24-N26 PolarHBondContact O-N 3.19Å
25	I	62.8	Low	62.4	Low	131 Å²	131	134.5 Å²	134.5	67%	0.672	77%	0.769	S	S	*	*			trans	-79.1	102.3	172.2	-56.6	-178.4	0	0	0	107.6	T23 I27	T23-I25 VanDerWaalsContact C-N 3.35Å; T23-I25 PolarHBondContact O-N 3.08Å; I25-I27 HydrophobicContact CG2-CD1 4.46Å; I25-I27 HydrophobicContact CG2-CG1 3.74Å; I25-I27 PolarHBondContact O-N 2.99Å; I25-I27 VanDerWaalsContact O-N 3.08Å
26	N	65.3	Low	62.7	Low	155 Å²	155	130.8 Å²	130.8	83%	0.829	75%	0.752	S	S	*	*			trans	-76	91.3	171.4	-170.9	19.6	0	0	0	109.7	D24 S28	D24-N26 PolarHBondContact O-N 3.19Å; N26-S28 PolarHBondContact O-N 3.24Å
27	I	59	Low	62.8	Low	139 Å²	139	129.5 Å²	129.5	71%	0.713	74%	0.741	S	S	*	*			trans	-78.7	98.6	174.3	-53.1	176.2	0	0	0	107.6	I25	I25-I27 HydrophobicContact CG2-CD1 4.46Å; I25-I27 HydrophobicContact CG2-CG1 3.74Å; I25-I27 PolarHBondContact O-N 2.99Å; I25-I27 VanDerWaalsContact O-N 3.08Å
28	S	68.6	Low	63.1	Low	89 Å²	89	126.6 Å²	126.6	62%	0.622	72%	0.715	S	S	*	*			trans	-60.9	127	169.1	-174.7	0	0	0	0	109.5	N26 A30	N26-S28 PolarHBondContact O-N 3.24Å; S28-A30 PolarHBondContact O-N 3.3Å
29	P	62.9	Low	64.1	Low	128 Å²	128	123 Å²	123	83%	0.831	70%	0.7	S	S	*	*			trans	-83.6	58.9	179.6	36.2	-34	0	0	0	109.7	L31	P29-L31 PolarHBondContact O-N 2.95Å
30	A	63.8	Low	65.5	Low	81 Å²	81	119.5 Å²	119.5	67%	0.669	67%	0.669	S	S	*	*			trans	-81.3	101.4	163.2	0	0	0	0	0	106.9	S28	S28-A30 PolarHBondContact O-N 3.3Å
31	L	53.8	Low	66.9	Low	153 Å²	153	112.5 Å²	112.5	80%	0.801	64%	0.643	S	S	*	*			trans	-54.4	125.4	169.3	-177.9	68	0	0	0	107.7	P29 E33	P29-L31 PolarHBondContact O-N 2.95Å; L31-E33 PolarHBondContact O-N 3.07Å
32	P	62.2	Low	68.4	Low	104 Å²	104	113 Å²	113	68%	0.675	64%	0.639	S	S	*	*			trans	-56.4	120.3	172.9	-18.5	29.7	0	0	0	107.5	L34	P32-L34 PolarHBondContact O-N 2.98Å
33	E	64.6	Low	69.8	Low	163 Å²	163	111.4 Å²	111.4	76%	0.762	63%	0.629	S	S	*	*			trans	-56.7	114.2	173.7	-173.6	155.7	-176.2	0	0	107.4	L31	L31-E33 PolarHBondContact O-N 3.07Å
34	L	59.2	Low	71.3	Confident	137 Å²	137	106.7 Å²	106.7	72%	0.717	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61.5	134.9	178.3	-70.7	172.7	0	0	0	107.3	P32 Q36	P32-L34 PolarHBondContact O-N 2.98Å; L34-Q36 PolarHBondContact O-N 3.01Å
35	P	62.7	Low	72.8	Confident	123 Å²	123	104 Å²	104	80%	0.799	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-55	118.7	177.2	19.2	-28.8	0	0	0	108.9
36	Q	62.7	Low	74.3	Confident	88 Å²	88	101.9 Å²	101.9	41%	0.411	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-58.6	137.1	177.8	-62.4	-66	-38	0	0	108.5	L34 S38 T184	L34-Q36 PolarHBondContact O-N 3.01Å; Q36-S38 PolarHBondContact O-N 2.79Å; Q36-T184 HydrophobicContact CB-CG2 4.07Å; Q36-T184 HydrophobicContact CG-CG2 4.46Å
37	P	66.1	Low	75.7	Confident	80 Å²	80	96.1 Å²	96.1	52%	0.519	54%	0.537	S	S	.	.			trans	-61.6	112.9	179.1	20.6	-27.1	0	0	0	110	I185	P37-I185 HydrophobicContact CG-CB 4.34Å; P37-I185 PolarHBondContact O-N 3.21Å
38	S	70.8	Confident	77.4	Confident	44 Å²	44	95.8 Å²	95.8	31%	0.308	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.8	172.7	47.5	0	0	0	0	110.2	Q36 S182 L183	Q36-S38 PolarHBondContact O-N 2.79Å; S38-S182 WeakPolarHBondContact CB-OG 3.49Å; S38-L183 WeakPolarHBondContact CA-O 3.33Å
39	L	87.1	Confident	78.6	Confident	97 Å²	97	93 Å²	93	51%	0.508	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.4	175.4	-156.1	87.1	0	0	0	111.3	L183 I185	L39-L183 HydrophobicContact CB-CB 4.28Å; L39-L183 PolarHBondContact N-O 3.16Å; L39-L183 PolarHBondContact O-N 3.22Å; L39-L183 VanDerWaalsContact O-N 3.09Å; L39-I185 HydrophobicContact CB-CD1 4.23Å
40	C	93.2	Very high	80.1	Confident	27 Å²	27	89.9 Å²	89.9	18%	0.182	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-97.7	148.4	168.5	-70.1	0	0	0	0	112	W44 E46 C51	C40-W44 HydrophobicContact CB-CB 4.08Å; C40-E46 VanDerWaalsContact SG-CB 3.57Å; C40-C51 WeakPolarHBondContact CA-SG 3.27Å; C40-C51 HydrophobicContact CB-CB 3.75Å; C40-C51 WeakPolarHBondContact CB-SG 3.44Å; C40-C51 WeakPolarHBondContact SG-CA 3.27Å; C40-C51 WeakPolarHBondContact SG-CB 3.49Å; C40-C51 CovalentContact SG-SG 2.03Å; C40-C51 PolarHBondContact SG-SG 2.98Å
41	P	91.9	Very high	81.7	Confident	46 Å²	46	86 Å²	86	30%	0.299	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-58.8	159.2	171.5	-19	30.5	0	0	0	111.6	F43 W44 V73	P41-F43 PolarHBondContact O-N 3.16Å; P41-W44 HydrophobicContact CB-CG 4.17Å; P41-W44 HydrophobicContact CG-CG 4.29Å; P41-W44 WeakPolarHBondContact O-CB 3.2Å; P41-W44 PolarHBondContact O-N 3.29Å; P41-V73 HydrophobicContact CG-CG2 3.59Å
42	L	90.4	Very high	83.8	Confident	132 Å²	132	78.8 Å²	78.8	69%	0.691	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134	178.3	-170.4	68.5	0	0	0	110.9	W44	L42-W44 VanDerWaalsContact C-N 3.29Å; L42-W44 PolarHBondContact O-N 3.38Å
43	F	90.7	Very high	85.5	Confident	148 Å²	148	77 Å²	77	65%	0.649	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	18.1	-175.7	-43.5	-66.2	0	0	0	115.4	P41 R53	P41-F43 PolarHBondContact O-N 3.16Å; F43-R53 WeakPolarHBondContact O-CD 3.33Å
44	W	95.4	Very high	87	Confident	17 Å²	17	69.9 Å²	69.9	6%	0.064	37%	0.366	C	S	.	.			trans	-108.1	142.1	167.2	-66.8	65.2	0	0	0	109.9	C40 P41 L42 C51 Y52 R53 F71 A78 C178 I180	C40-W44 HydrophobicContact CB-CB 4.08Å; P41-W44 HydrophobicContact CB-CG 4.17Å; P41-W44 HydrophobicContact CG-CG 4.29Å; P41-W44 WeakPolarHBondContact O-CB 3.2Å; P41-W44 PolarHBondContact O-N 3.29Å; L42-W44 VanDerWaalsContact C-N 3.29Å; L42-W44 PolarHBondContact O-N 3.38Å; W44-C51 HydrophobicContact CB-CB 4.07Å; W44-C51 HydrophobicContact CE3-CB 3.96Å; W44-Y52 CarbonylContact C-O 3.52Å; W44-Y52 WeakPolarHBondContact CA-O 3.32Å; W44-R53 HydrophobicContact CD2-CB 3.57Å; W44-R53 HydrophobicContact CE3-CB 3.72Å; W44-R53 HydrophobicContact CG-CB 4.04Å; W44-R53 HydrophobicContact CH2-CB 4.19Å; W44-R53 HydrophobicContact CZ2-CB 4.05Å; W44-R53 HydrophobicContact CZ3-CB 4.03Å; W44-F71 HydrophobicContact CH2-CB 4.15Å; W44-F71 HydrophobicContact CH2-CG 4.38Å; W44-F71 HydrophobicContact CZ2-CB 3.64Å; W44-F71 AromaticContact CZ2-CD1 3.98Å; W44-F71 HydrophobicContact CZ2-CD1 3.98Å; W44-F71 HydrophobicContact CZ2-CD2 4.06Å; W44-F71 AromaticContact CZ2-CG 3.61Å; W44-F71 HydrophobicContact CZ2-CG 3.61Å; W44-A78 HydrophobicContact CH2-CB 3.6Å; W44-A78 HydrophobicContact CZ3-CB 4.19Å; W44-C178 HydrophobicContact CH2-CB 3.61Å; W44-C178 HydrophobicContact CZ3-CB 3.99Å; W44-I180 HydrophobicContact CE3-CG2 3.98Å; W44-I180 HydrophobicContact CH2-CG2 4.35Å; W44-I180 HydrophobicContact CZ3-CB 4.41Å; W44-I180 HydrophobicContact CZ3-CG2 3.76Å
45	M	95.1	Very high	88.7	Confident	102 Å²	102	63.9 Å²	63.9	50%	0.502	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.2	-178.5	-60.1	-55.5	-68.4	0	0	109.9	C51 Y52 F91 L95	M45-C51 CarbonylContact O-C 3.58Å; M45-C51 WeakPolarHBondContact O-CA 3.47Å; M45-Y52 PolarHBondContact N-O 3.27Å; M45-Y52 PolarHBondContact O-N 2.89Å; M45-F91 HydrophobicContact CB-CE2 4.45Å; M45-F91 HydrophobicContact CB-CZ 3.91Å; M45-L95 HydrophobicContact CB-CD1 4.28Å; M45-L95 HydrophobicContact CG-CD1 3.64Å
46	E	94.9	Very high	90.2	Very high	86 Å²	86	61.9 Å²	61.9	40%	0.402	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138	178.2	-163.6	-79.6	158.5	0	0	110.6	C40 K48 G49 H50	C40-E46 VanDerWaalsContact SG-CB 3.57Å; E46-K48 PolarHBondContact OE1-N 3.36Å; E46-G49 WeakPolarHBondContact OE1-CA 3.48Å; E46-G49 PolarHBondContact OE1-N 3.27Å; E46-H50 CarbonylContact C-O 3.59Å; E46-H50 WeakPolarHBondContact CA-O 3.13Å
47	F	95.4	Very high	91.8	Very high	35 Å²	35	61.2 Å²	61.2	15%	0.154	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	118.7	164.7	178.9	-94.1	0	0	0	110.1	G49 H50 Y52 E87 E88 F91	F47-G49 PolarHBondContact O-N 3.4Å; F47-H50 PolarHBondContact N-O 3.01Å; F47-H50 PolarHBondContact O-N 3.13Å; F47-H50 VanDerWaalsContact O-N 3.09Å; F47-Y52 HydrophobicContact CB-CD2 4.13Å; F47-Y52 HydrophobicContact CB-CE2 3.75Å; F47-Y52 HydrophobicContact CD1-CE2 4.41Å; F47-E87 HydrophobicContact CZ-CB 3.91Å; F47-E88 HydrophobicContact CD1-CB 4.42Å; F47-E88 HydrophobicContact CD1-CG 4.2Å; F47-E88 HydrophobicContact CE1-CB 3.65Å; F47-E88 HydrophobicContact CE1-CG 3.92Å; F47-E88 HydrophobicContact CZ-CB 4.31Å; F47-F91 HydrophobicContact CB-CD1 3.75Å; F47-F91 HydrophobicContact CB-CD2 3.92Å; F47-F91 HydrophobicContact CB-CE1 3.61Å; F47-F91 HydrophobicContact CB-CE2 3.75Å; F47-F91 HydrophobicContact CB-CG 3.91Å; F47-F91 HydrophobicContact CB-CZ 3.59Å; F47-F91 HydrophobicContact CD1-CD1 4.26Å; F47-F91 HydrophobicContact CD1-CG 4.37Å; F47-F91 HydrophobicContact CD2-CB 3.89Å; F47-F91 HydrophobicContact CD2-CD1 4.26Å; F47-F91 AromaticContact CD2-CD2 3.66Å; F47-F91 HydrophobicContact CD2-CD2 3.66Å; F47-F91 HydrophobicContact CD2-CE2 4.28Å; F47-F91 AromaticContact CD2-CG 3.64Å; F47-F91 HydrophobicContact CD2-CG 3.64Å; F47-F91 HydrophobicContact CE2-CB 3.93Å; F47-F91 HydrophobicContact CE2-CD2 4.45Å; F47-F91 HydrophobicContact CE2-CG 4.21Å; F47-F91 HydrophobicContact CG-CB 4.23Å; F47-F91 AromaticContact CG-CD1 3.85Å; F47-F91 HydrophobicContact CG-CD1 3.85Å; F47-F91 AromaticContact CG-CD2 3.99Å; F47-F91 HydrophobicContact CG-CD2 3.99Å; F47-F91 HydrophobicContact CG-CE1 4.24Å; F47-F91 HydrophobicContact CG-CE2 4.34Å; F47-F91 AromaticContact CG-CG 3.72Å; F47-F91 HydrophobicContact CG-CG 3.72Å; F47-F91 HydrophobicContact CG-CZ 4.45Å; F47-F91 HydrophobicContact CZ-CB 4.32Å
48	K	93.8	Very high	93.2	Very high	132 Å²	132	62.5 Å²	62.5	57%	0.574	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	53.8	174.5	-64.9	-173.7	-178.7	173.2	0	113.4	E46 H50 E87	E46-K48 PolarHBondContact OE1-N 3.36Å; K48-H50 VanDerWaalsContact C-N 3.27Å; K48-H50 PolarHBondContact O-N 2.99Å; K48-H50 PolarHBondContact O-ND1 3.39Å; K48-H50 VanDerWaalsContact O-ND1 3.13Å; K48-E87 IonicContact NZ-OE2 3.81Å
49	G	93.1	Very high	94.5	Very high	30 Å²	30	62.8 Å²	62.8	31%	0.309	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	9.3	175.7	0	0	0	0	0	114.6	E46 F47 S182	E46-G49 WeakPolarHBondContact OE1-CA 3.48Å; E46-G49 PolarHBondContact OE1-N 3.27Å; F47-G49 PolarHBondContact O-N 3.4Å; G49-S182 VanDerWaalsContact O-CB 3.26Å; G49-S182 WeakPolarHBondContact O-CB 3.34Å; G49-S182 PolarHBondContact O-N 3.05Å; G49-S182 PolarHBondContact O-OG 2.74Å
50	H	96	Very high	94.9	Very high	63 Å²	63	59.4 Å²	59.4	29%	0.292	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.7	176.2	-64.8	80.3	0	0	0	110.5	E46 F47 K48 Y52 K179 I180	E46-H50 CarbonylContact C-O 3.59Å; E46-H50 WeakPolarHBondContact CA-O 3.13Å; F47-H50 PolarHBondContact N-O 3.01Å; F47-H50 PolarHBondContact O-N 3.13Å; F47-H50 VanDerWaalsContact O-N 3.09Å; K48-H50 VanDerWaalsContact C-N 3.27Å; K48-H50 PolarHBondContact O-N 2.99Å; K48-H50 PolarHBondContact O-ND1 3.39Å; K48-H50 VanDerWaalsContact O-ND1 3.13Å; H50-Y52 HydrophobicContact CB-CD2 4.44Å; H50-Y52 HydrophobicContact CB-CE2 3.5Å; H50-Y52 WeakPolarHBondContact CB-OH 3.25Å; H50-K179 HydrophobicContact CB-CG 4.25Å; H50-K179 WeakPolarHBondContact CD2-CE 3.29Å; H50-I180 CarbonylContact C-O 3.51Å; H50-I180 WeakPolarHBondContact CA-O 3.48Å
51	C	97.1	Very high	95.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.4	179.5	-56.4	0	0	0	0	109	C40 W44 M45 K179 I180	C40-C51 WeakPolarHBondContact CA-SG 3.27Å; C40-C51 HydrophobicContact CB-CB 3.75Å; C40-C51 WeakPolarHBondContact CB-SG 3.44Å; C40-C51 WeakPolarHBondContact SG-CA 3.27Å; C40-C51 WeakPolarHBondContact SG-CB 3.49Å; C40-C51 CovalentContact SG-SG 2.03Å; C40-C51 PolarHBondContact SG-SG 2.98Å; W44-C51 HydrophobicContact CB-CB 4.07Å; W44-C51 HydrophobicContact CE3-CB 3.96Å; M45-C51 CarbonylContact O-C 3.58Å; M45-C51 WeakPolarHBondContact O-CA 3.47Å; C51-K179 CarbonylContact O-C 3.51Å; C51-K179 WeakPolarHBondContact O-CA 3.32Å; C51-I180 HydrophobicContact CB-CG2 3.81Å; C51-I180 PolarHBondContact N-O 2.89Å; C51-I180 PolarHBondContact O-N 2.92Å
52	Y	97.9	Very high	95.4	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.4	-176.1	-58.5	-104.5	0	0	0	111.3	W44 M45 F47 H50 A81 E88 F91 V92 V177 C178 K179	W44-Y52 CarbonylContact C-O 3.52Å; W44-Y52 WeakPolarHBondContact CA-O 3.32Å; M45-Y52 PolarHBondContact N-O 3.27Å; M45-Y52 PolarHBondContact O-N 2.89Å; F47-Y52 HydrophobicContact CB-CD2 4.13Å; F47-Y52 HydrophobicContact CB-CE2 3.75Å; F47-Y52 HydrophobicContact CD1-CE2 4.41Å; H50-Y52 HydrophobicContact CB-CD2 4.44Å; H50-Y52 HydrophobicContact CB-CE2 3.5Å; H50-Y52 WeakPolarHBondContact CB-OH 3.25Å; Y52-A81 HydrophobicContact CD1-CB 4.42Å; Y52-E88 PolarHBondContact OH-OE1 3.42Å; Y52-F91 HydrophobicContact CD1-CE1 4.12Å; Y52-F91 HydrophobicContact CD2-CD1 4.3Å; Y52-F91 AromaticContact CD2-CE1 3.37Å; Y52-F91 HydrophobicContact CD2-CE1 3.37Å; Y52-F91 AromaticContact CD2-CZ 3.96Å; Y52-F91 HydrophobicContact CD2-CZ 3.96Å; Y52-F91 HydrophobicContact CE2-CD1 4.5Å; Y52-F91 AromaticContact CE2-CE1 3.93Å; Y52-F91 HydrophobicContact CE2-CE1 3.93Å; Y52-F91 HydrophobicContact CG-CD1 4.42Å; Y52-F91 AromaticContact CG-CE1 3.51Å; Y52-F91 HydrophobicContact CG-CE1 3.51Å; Y52-F91 HydrophobicContact CG-CZ 4.3Å; Y52-V92 HydrophobicContact CD1-CG2 4.17Å; Y52-V92 HydrophobicContact CE1-CG2 4.21Å; Y52-V177 HydrophobicContact CD1-CG1 4.29Å; Y52-C178 CarbonylContact C-O 3.52Å; Y52-C178 VanDerWaalsContact CA-O 3.24Å; Y52-C178 WeakPolarHBondContact CA-O 3.45Å; Y52-K179 HydrophobicContact CD1-CB 3.99Å; Y52-K179 HydrophobicContact CD1-CD 4.47Å; Y52-K179 HydrophobicContact CD1-CG 4.07Å; Y52-K179 HydrophobicContact CE1-CB 3.92Å; Y52-K179 HydrophobicContact CE1-CD 3.57Å; Y52-K179 HydrophobicContact CE1-CG 3.57Å; Y52-K179 WeakPolarHBondContact OH-CE 3.25Å
53	R	97.1	Very high	95.8	Very high	67 Å²	67	57.9 Å²	57.9	25%	0.253	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	126.4	173	-174.1	166.8	177.6	176.8	1.3	111.2	F43 W44 F55 V177 C178	F43-R53 WeakPolarHBondContact O-CD 3.33Å; W44-R53 HydrophobicContact CD2-CB 3.57Å; W44-R53 HydrophobicContact CE3-CB 3.72Å; W44-R53 HydrophobicContact CG-CB 4.04Å; W44-R53 HydrophobicContact CH2-CB 4.19Å; W44-R53 HydrophobicContact CZ2-CB 4.05Å; W44-R53 HydrophobicContact CZ3-CB 4.03Å; R53-F55 HydrophobicContact CB-CE2 3.95Å; R53-F55 HydrophobicContact CB-CZ 4.29Å; R53-F55 VanDerWaalsContact CD-CZ 3.44Å; R53-F55 HydrophobicContact CG-CD2 4.34Å; R53-F55 HydrophobicContact CG-CE1 4.27Å; R53-F55 HydrophobicContact CG-CE2 3.73Å; R53-F55 HydrophobicContact CG-CZ 3.71Å; R53-V177 WeakPolarHBondContact O-CA 3.45Å; R53-C178 PolarHBondContact N-O 2.75Å; R53-C178 PolarHBondContact O-N 3.33Å
54	F	96.4	Very high	96.1	Very high	13 Å²	13	50.8 Å²	50.8	6%	0.057	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138	171.2	172.6	-115.4	0	0	0	110.9	P56 L95 V96 C99 V100 V107 P175 F176 V177	F54-P56 HydrophobicContact CE1-CB 3.76Å; F54-P56 HydrophobicContact CE1-CG 4.35Å; F54-P56 HydrophobicContact CZ-CB 3.99Å; F54-L95 HydrophobicContact CB-CD2 4.35Å; F54-L95 HydrophobicContact CB-CG 4.12Å; F54-V96 HydrophobicContact CD2-CB 4.39Å; F54-V96 HydrophobicContact CD2-CG1 4.36Å; F54-V96 HydrophobicContact CD2-CG2 3.73Å; F54-V96 HydrophobicContact CE1-CG1 4.48Å; F54-V96 HydrophobicContact CE2-CB 4.43Å; F54-V96 HydrophobicContact CE2-CG1 3.92Å; F54-V96 HydrophobicContact CE2-CG2 4.03Å; F54-V96 HydrophobicContact CG-CG2 4.24Å; F54-V96 HydrophobicContact CZ-CG1 3.97Å; F54-C99 HydrophobicContact CD1-CB 3.47Å; F54-C99 VanDerWaalsContact CD1-CB 3.47Å; F54-C99 HydrophobicContact CE1-CB 3.93Å; F54-V100 HydrophobicContact CE1-CG1 4.16Å; F54-V100 HydrophobicContact CE1-CG2 3.87Å; F54-V100 HydrophobicContact CZ-CG2 4.08Å; F54-V107 HydrophobicContact CE2-CG2 4.24Å; F54-P175 HydrophobicContact CE2-CB 3.5Å; F54-P175 VanDerWaalsContact CE2-CB 3.5Å; F54-P175 HydrophobicContact CZ-CB 3.8Å; F54-F176 WeakPolarHBondContact CD2-O 3.44Å; F54-V177 HydrophobicContact CB-CG2 4.14Å; F54-V177 HydrophobicContact CD2-CG2 3.91Å
55	F	95.8	Very high	96.3	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.1	173.7	-68.2	-82.1	0	0	0	109.9	R53 L57 Y67 F71 F176 C178	R53-F55 HydrophobicContact CB-CE2 3.95Å; R53-F55 HydrophobicContact CB-CZ 4.29Å; R53-F55 VanDerWaalsContact CD-CZ 3.44Å; R53-F55 HydrophobicContact CG-CD2 4.34Å; R53-F55 HydrophobicContact CG-CE1 4.27Å; R53-F55 HydrophobicContact CG-CE2 3.73Å; R53-F55 HydrophobicContact CG-CZ 3.71Å; F55-L57 PolarHBondContact O-N 2.78Å; F55-Y67 AromaticContact CD1-CE1 3.67Å; F55-Y67 HydrophobicContact CD1-CE1 3.67Å; F55-Y67 HydrophobicContact CD2-CE1 4.19Å; F55-Y67 AromaticContact CE1-CE1 3.66Å; F55-Y67 HydrophobicContact CE1-CE1 3.66Å; F55-Y67 HydrophobicContact CE2-CE1 4.19Å; F55-Y67 AromaticContact CG-CE1 3.93Å; F55-Y67 HydrophobicContact CG-CE1 3.93Å; F55-Y67 AromaticContact CZ-CE1 3.91Å; F55-Y67 HydrophobicContact CZ-CE1 3.91Å; F55-F71 HydrophobicContact CE1-CE2 4.15Å; F55-F71 AromaticContact CE1-CZ 3.87Å; F55-F71 HydrophobicContact CE1-CZ 3.87Å; F55-F71 HydrophobicContact CE2-CE2 4.08Å; F55-F71 HydrophobicContact CZ-CD2 4.26Å; F55-F71 HydrophobicContact CZ-CE1 4.28Å; F55-F71 AromaticContact CZ-CE2 3.48Å; F55-F71 HydrophobicContact CZ-CE2 3.48Å; F55-F71 VanDerWaalsContact CZ-CE2 3.48Å; F55-F71 AromaticContact CZ-CZ 3.49Å; F55-F71 HydrophobicContact CZ-CZ 3.49Å; F55-F71 VanDerWaalsContact CZ-CZ 3.49Å; F55-F176 HydrophobicContact CB-CD1 4.49Å; F55-F176 HydrophobicContact CB-CD2 4.18Å; F55-F176 HydrophobicContact CB-CE1 4.01Å; F55-F176 HydrophobicContact CB-CE2 3.69Å; F55-F176 HydrophobicContact CB-CZ 3.58Å; F55-F176 HydrophobicContact CD2-CD2 4.16Å; F55-F176 AromaticContact CD2-CE2 3.64Å; F55-F176 HydrophobicContact CD2-CE2 3.64Å; F55-F176 HydrophobicContact CD2-CZ 4.29Å; F55-F176 AromaticContact CG-CE2 3.89Å; F55-F176 HydrophobicContact CG-CE2 3.89Å; F55-F176 HydrophobicContact CG-CZ 4.07Å; F55-F176 PolarHBondContact N-O 3.06Å; F55-F176 PolarHBondContact O-N 3.45Å; F55-C178 HydrophobicContact CE2-CB 4.13Å; F55-C178 WeakPolarHBondContact CE2-SG 3.1Å
56	P	94.3	Very high	96.4	Very high	80 Å²	80	51.7 Å²	51.7	52%	0.519	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	49.4	177.5	34.2	-36.2	0	0	0	111.3	F54 V100	F54-P56 HydrophobicContact CE1-CB 3.76Å; F54-P56 HydrophobicContact CE1-CG 4.35Å; F54-P56 HydrophobicContact CZ-CB 3.99Å; P56-V100 HydrophobicContact CB-CG1 4.38Å
57	L	94.8	Very high	96.6	Very high	74 Å²	74	50 Å²	50	39%	0.387	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.7	179.9	-60.3	178.3	0	0	0	108.8	F55 K59 Y67 P175 F176	F55-L57 PolarHBondContact O-N 2.78Å; L57-K59 PolarHBondContact O-N 2.95Å; L57-Y67 HydrophobicContact CD1-CE2 4.28Å; L57-P175 WeakPolarHBondContact O-CA 3.37Å; L57-F176 HydrophobicContact CB-CE1 4.05Å; L57-F176 WeakPolarHBondContact O-CD1 3.42Å; L57-F176 VanDerWaalsContact O-CE1 3.31Å; L57-F176 WeakPolarHBondContact O-CE1 3.26Å
58	N	95.8	Very high	96.7	Very high	108 Å²	108	48.3 Å²	48.3	58%	0.578	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	113	179.1	-66.8	-2.8	0	0	0	110.2	K173 P175	N58-K173 HydrophobicContact CB-CB 3.98Å; N58-P175 VanDerWaalsContact OD1-CD 3.25Å; N58-P175 WeakPolarHBondContact OD1-CD 3.27Å; N58-P175 WeakPolarHBondContact OD1-CG 3.36Å
59	K	97.4	Very high	96.9	Very high	49 Å²	49	43.6 Å²	43.6	21%	0.213	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151	179.7	-71.4	-172.7	-174.7	-73.3	0	110.7	L57 E63 A64 Y67 W108 K173 F174 F176	L57-K59 PolarHBondContact O-N 2.95Å; K59-E63 HydrophobicContact CB-CB 3.92Å; K59-E63 HydrophobicContact CD-CB 4.2Å; K59-E63 HydrophobicContact CG-CB 4.31Å; K59-A64 HydrophobicContact CB-CB 4.05Å; K59-Y67 HydrophobicContact CD-CG 4.38Å; K59-W108 PolarHBondContact O-NE1 3.35Å; K59-K173 VanDerWaalsContact O-CA 3.29Å; K59-K173 WeakPolarHBondContact O-CA 3.46Å; K59-F174 PolarHBondContact N-O 3.11Å; K59-F174 PolarHBondContact O-N 3.1Å; K59-F174 VanDerWaalsContact O-N 3.08Å; K59-F176 HydrophobicContact CB-CD1 4.33Å; K59-F176 HydrophobicContact CB-CE1 4.09Å; K59-F176 HydrophobicContact CD-CD1 4.43Å; K59-F176 HydrophobicContact CD-CE1 3.49Å; K59-F176 VanDerWaalsContact CD-CE1 3.49Å; K59-F176 HydrophobicContact CD-CZ 3.78Å; K59-F176 HydrophobicContact CG-CE1 3.86Å
60	T	97.3	Very high	97.1	Very high	27 Å²	27	48.6 Å²	48.6	17%	0.166	25%	0.253	C	S	.	.			trans	-59.2	157.8	163.7	62.3	0	0	0	0	109.8	A62 E63 A64 S171 R172 K173	T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.94Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.19Å; T60-E63 PolarHBondContact N-OE2 2.96Å; T60-E63 PolarHBondContact O-N 2.59Å; T60-E63 VanDerWaalsContact O-N 3.17Å; T60-E63 VanDerWaalsContact OG1-CB 3.3Å; T60-E63 WeakPolarHBondContact OG1-CB 3.35Å; T60-E63 WeakPolarHBondContact OG1-CG 3.4Å; T60-E63 PolarHBondContact OG1-N 3.02Å; T60-E63 PolarHBondContact OG1-OE2 3.26Å; T60-A64 WeakPolarHBondContact O-CB 3.3Å; T60-A64 PolarHBondContact O-N 2.59Å; T60-S171 WeakPolarHBondContact CG2-O 3.45Å; T60-R172 WeakPolarHBondContact CA-O 3.43Å; T60-K173 HydrophobicContact CG2-CG 4.09Å
61	W	97.5	Very high	97.2	Very high	24 Å²	24	48 Å²	48	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-44.8	-178.1	-177.6	94.4	0	0	0	111.9	A64 D65 L80 W108 T109 H112 T123 C151 C170	W61-A64 WeakPolarHBondContact O-CB 3.43Å; W61-A64 PolarHBondContact O-N 3.29Å; W61-D65 PolarHBondContact O-N 3.13Å; W61-L80 HydrophobicContact CD2-CD1 4.17Å; W61-L80 HydrophobicContact CG-CD1 4.19Å; W61-L80 HydrophobicContact CZ2-CD1 4.42Å; W61-W108 HydrophobicContact CB-CD2 4.28Å; W61-W108 HydrophobicContact CB-CZ2 4.3Å; W61-W108 AromaticContact CD1-CD2 3.98Å; W61-W108 AromaticContact CD1-CE3 3.99Å; W61-T109 PolarHBondContact NE1-O 2.86Å; W61-H112 HydrophobicContact CH2-CB 4.03Å; W61-H112 AromaticContact CH2-CD2 3.41Å; W61-H112 VanDerWaalsContact CH2-CD2 3.41Å; W61-H112 WeakPolarHBondContact CH2-CD2 3.49Å; W61-H112 AromaticContact CH2-CG 3.85Å; W61-H112 HydrophobicContact CZ2-CB 3.75Å; W61-H112 AromaticContact CZ2-CD2 3.53Å; W61-H112 AromaticContact CZ2-CG 3.93Å; W61-T123 HydrophobicContact CH2-CG2 3.17Å; W61-T123 HydrophobicContact CZ2-CG2 3.2Å; W61-T123 HydrophobicContact CZ3-CG2 4.28Å; W61-C151 HydrophobicContact CB-CB 3.97Å; W61-C151 VanDerWaalsContact CB-SG 3.54Å; W61-C151 HydrophobicContact CD2-CB 4.37Å; W61-C151 HydrophobicContact CG-CB 3.76Å; W61-C170 HydrophobicContact CB-CB 4.43Å; W61-C170 PolarHBondContact N-O 3.25Å
62	A	97.1	Very high	97	Very high	64 Å²	64	51.8 Å²	51.8	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-65.5	-41.2	177.7	0	0	0	0	0	113	T60 A64 L66	T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.94Å; A62-A64 VanDerWaalsContact C-N 3.27Å; A62-A64 PolarHBondContact O-N 3.48Å; A62-L66 WeakPolarHBondContact O-CB 3.45Å; A62-L66 PolarHBondContact O-N 3.47Å
63	E	98.4	Very high	96.6	Very high	84 Å²	84	52.4 Å²	52.4	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-33.9	174.4	-74.5	168.7	150.9	0	0	111.8	K59 T60 Y67	K59-E63 HydrophobicContact CB-CB 3.92Å; K59-E63 HydrophobicContact CD-CB 4.2Å; K59-E63 HydrophobicContact CG-CB 4.31Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.19Å; T60-E63 PolarHBondContact N-OE2 2.96Å; T60-E63 PolarHBondContact O-N 2.59Å; T60-E63 VanDerWaalsContact O-N 3.17Å; T60-E63 VanDerWaalsContact OG1-CB 3.3Å; T60-E63 WeakPolarHBondContact OG1-CB 3.35Å; T60-E63 WeakPolarHBondContact OG1-CG 3.4Å; T60-E63 PolarHBondContact OG1-N 3.02Å; T60-E63 PolarHBondContact OG1-OE2 3.26Å; E63-Y67 VanDerWaalsContact O-CB 3.31Å; E63-Y67 WeakPolarHBondContact O-CB 3.37Å; E63-Y67 PolarHBondContact O-N 3.14Å
64	A	98.5	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.8	-45.9	178.8	0	0	0	0	0	111.9	K59 T60 W61 A62 L66 Y67 C68 L80 F176	K59-A64 HydrophobicContact CB-CB 4.05Å; T60-A64 WeakPolarHBondContact O-CB 3.3Å; T60-A64 PolarHBondContact O-N 2.59Å; W61-A64 WeakPolarHBondContact O-CB 3.43Å; W61-A64 PolarHBondContact O-N 3.29Å; A62-A64 VanDerWaalsContact C-N 3.27Å; A62-A64 PolarHBondContact O-N 3.48Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 2.78Å; A64-Y67 PolarHBondContact O-N 2.72Å; A64-C68 PolarHBondContact O-N 3.32Å; A64-C68 PolarHBondContact O-SG 2.91Å; A64-C68 VanDerWaalsContact O-SG 3.39Å; A64-L80 HydrophobicContact CB-CD1 4.32Å; A64-L80 HydrophobicContact CB-CD2 3.95Å; A64-F176 HydrophobicContact CB-CB 3.92Å; A64-F176 HydrophobicContact CB-CD1 3.68Å; A64-F176 HydrophobicContact CB-CD2 4.03Å; A64-F176 HydrophobicContact CB-CE1 4.19Å; A64-F176 HydrophobicContact CB-CE2 4.48Å; A64-F176 HydrophobicContact CB-CG 3.61Å
65	D	98.3	Very high	95.7	Very high	18 Å²	18	64.1 Å²	64.1	10%	0.096	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-39.3	175.3	-167.3	70.5	0	0	0	112.4	W61 Y67 C68 S69 K79 L80 T123	W61-D65 PolarHBondContact O-N 3.13Å; D65-Y67 VanDerWaalsContact C-N 3.34Å; D65-Y67 PolarHBondContact O-N 3.5Å; D65-C68 PolarHBondContact O-N 2.85Å; D65-S69 PolarHBondContact O-N 3.05Å; D65-S69 PolarHBondContact O-OG 2.69Å; D65-K79 WeakPolarHBondContact OD1-CD 3.29Å; D65-K79 IonicContact OD2-NZ 3.81Å; D65-K79 PolarHBondContact OD2-NZ 3.26Å; D65-L80 HydrophobicContact CB-CD1 3.81Å; D65-L80 HydrophobicContact CB-CG 3.97Å; D65-L80 PolarHBondContact OD1-N 2.92Å; D65-L80 VanDerWaalsContact OD1-N 3.07Å; D65-T123 WeakPolarHBondContact OD1-CB 3.16Å; D65-T123 PolarHBondContact OD1-OG1 2.93Å
66	L	98.3	Very high	95.5	Very high	120 Å²	120	69.9 Å²	69.9	63%	0.628	37%	0.371	S	S	*	.	H	α-helix	trans	-62.1	-43.7	173.7	-177.7	61.8	0	0	0	111.3	A62 A64 S69	A62-L66 WeakPolarHBondContact O-CB 3.45Å; A62-L66 PolarHBondContact O-N 3.47Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 2.78Å; L66-S69 VanDerWaalsContact O-CB 3.32Å; L66-S69 WeakPolarHBondContact O-CB 3.24Å; L66-S69 PolarHBondContact O-N 2.74Å; L66-S69 VanDerWaalsContact O-N 3.1Å
67	Y	98.6	Very high	95.6	Very high	50 Å²	50	69.1 Å²	69.1	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-41	177.2	-174.3	-84.4	0	0	0	112	F55 L57 K59 E63 A64 D65 S69 E70 F71 F176	F55-Y67 AromaticContact CD1-CE1 3.67Å; F55-Y67 HydrophobicContact CD1-CE1 3.67Å; F55-Y67 HydrophobicContact CD2-CE1 4.19Å; F55-Y67 AromaticContact CE1-CE1 3.66Å; F55-Y67 HydrophobicContact CE1-CE1 3.66Å; F55-Y67 HydrophobicContact CE2-CE1 4.19Å; F55-Y67 AromaticContact CG-CE1 3.93Å; F55-Y67 HydrophobicContact CG-CE1 3.93Å; F55-Y67 AromaticContact CZ-CE1 3.91Å; F55-Y67 HydrophobicContact CZ-CE1 3.91Å; L57-Y67 HydrophobicContact CD1-CE2 4.28Å; K59-Y67 HydrophobicContact CD-CG 4.38Å; E63-Y67 VanDerWaalsContact O-CB 3.31Å; E63-Y67 WeakPolarHBondContact O-CB 3.37Å; E63-Y67 PolarHBondContact O-N 3.14Å; A64-Y67 PolarHBondContact O-N 2.72Å; D65-Y67 VanDerWaalsContact C-N 3.34Å; D65-Y67 PolarHBondContact O-N 3.5Å; Y67-S69 PolarHBondContact O-N 2.72Å; Y67-E70 WeakPolarHBondContact O-CB 3.5Å; Y67-E70 PolarHBondContact O-N 2.03Å; Y67-F71 AromaticContact CD1-CE2 3.95Å; Y67-F71 HydrophobicContact CD1-CE2 3.95Å; Y67-F71 AromaticContact CE1-CE2 3.57Å; Y67-F71 HydrophobicContact CE1-CE2 3.57Å; Y67-F71 HydrophobicContact CE1-CZ 4.01Å; Y67-F176 AromaticContact CD1-CE2 3.54Å; Y67-F176 HydrophobicContact CD1-CE2 3.54Å; Y67-F176 AromaticContact CD1-CZ 3.44Å; Y67-F176 HydrophobicContact CD1-CZ 3.44Å; Y67-F176 VanDerWaalsContact CD1-CZ 3.44Å; Y67-F176 HydrophobicContact CE1-CE2 4.21Å; Y67-F176 AromaticContact CE1-CZ 3.99Å; Y67-F176 HydrophobicContact CE1-CZ 3.99Å; Y67-F176 HydrophobicContact CG-CE2 4.23Å; Y67-F176 AromaticContact CG-CZ 3.86Å; Y67-F176 HydrophobicContact CG-CZ 3.86Å
68	C	98.4	Very high	95.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-38.9	172.6	-67.2	0	0	0	0	111.4	A64 D65 E70 F71 A78 C178	A64-C68 PolarHBondContact O-N 3.32Å; A64-C68 PolarHBondContact O-SG 2.91Å; A64-C68 VanDerWaalsContact O-SG 3.39Å; D65-C68 PolarHBondContact O-N 2.85Å; C68-E70 PolarHBondContact O-N 2.67Å; C68-E70 VanDerWaalsContact O-N 3.08Å; C68-F71 PolarHBondContact O-N 3.09Å; C68-A78 CarbonylContact C-O 3.1Å; C68-A78 VanDerWaalsContact C-O 3.24Å; C68-A78 HydrophobicContact CB-CB 4.45Å; C68-A78 WeakPolarHBondContact O-CB 3.33Å; C68-C178 WeakPolarHBondContact CA-SG 3.47Å; C68-C178 HydrophobicContact CB-CB 3.73Å; C68-C178 WeakPolarHBondContact CB-SG 3.35Å; C68-C178 WeakPolarHBondContact SG-CA 3.26Å; C68-C178 WeakPolarHBondContact SG-CB 3.17Å; C68-C178 CovalentContact SG-SG 2.04Å; C68-C178 PolarHBondContact SG-SG 2.85Å
69	S	97.9	Very high	95.9	Very high	32 Å²	32	63.3 Å²	63.3	22%	0.224	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.8	-178.6	-56.4	0	0	0	0	114	D65 L66 Y67 F71 A78 K79	D65-S69 PolarHBondContact O-N 3.05Å; D65-S69 PolarHBondContact O-OG 2.69Å; L66-S69 VanDerWaalsContact O-CB 3.32Å; L66-S69 WeakPolarHBondContact O-CB 3.24Å; L66-S69 PolarHBondContact O-N 2.74Å; L66-S69 VanDerWaalsContact O-N 3.1Å; Y67-S69 PolarHBondContact O-N 2.72Å; S69-F71 PolarHBondContact O-N 3.09Å; S69-A78 VanDerWaalsContact CA-O 3.28Å; S69-A78 WeakPolarHBondContact CA-O 2.99Å; S69-A78 PolarHBondContact N-O 3.38Å; S69-K79 PolarHBondContact OG-NZ 3.26Å
70	E	97.1	Very high	95.9	Very high	135 Å²	135	61 Å²	61	63%	0.631	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.6	172.8	-61	-178.2	-175.8	0	0	113.1	Y67 C68	Y67-E70 WeakPolarHBondContact O-CB 3.5Å; Y67-E70 PolarHBondContact O-N 2.03Å; C68-E70 PolarHBondContact O-N 2.67Å; C68-E70 VanDerWaalsContact O-N 3.08Å
71	F	96.5	Very high	96	Very high	50 Å²	50	59.7 Å²	59.7	22%	0.219	32%	0.316	C	S	.	.			trans	-97.5	135.3	178	-57.8	-85.7	0	0	0	110.6	W44 F55 Y67 C68 S69 S77 A78	W44-F71 HydrophobicContact CH2-CB 4.15Å; W44-F71 HydrophobicContact CH2-CG 4.38Å; W44-F71 HydrophobicContact CZ2-CB 3.64Å; W44-F71 AromaticContact CZ2-CD1 3.98Å; W44-F71 HydrophobicContact CZ2-CD1 3.98Å; W44-F71 HydrophobicContact CZ2-CD2 4.06Å; W44-F71 AromaticContact CZ2-CG 3.61Å; W44-F71 HydrophobicContact CZ2-CG 3.61Å; F55-F71 HydrophobicContact CE1-CE2 4.15Å; F55-F71 AromaticContact CE1-CZ 3.87Å; F55-F71 HydrophobicContact CE1-CZ 3.87Å; F55-F71 HydrophobicContact CE2-CE2 4.08Å; F55-F71 HydrophobicContact CZ-CD2 4.26Å; F55-F71 HydrophobicContact CZ-CE1 4.28Å; F55-F71 AromaticContact CZ-CE2 3.48Å; F55-F71 HydrophobicContact CZ-CE2 3.48Å; F55-F71 VanDerWaalsContact CZ-CE2 3.48Å; F55-F71 AromaticContact CZ-CZ 3.49Å; F55-F71 HydrophobicContact CZ-CZ 3.49Å; F55-F71 VanDerWaalsContact CZ-CZ 3.49Å; Y67-F71 AromaticContact CD1-CE2 3.95Å; Y67-F71 HydrophobicContact CD1-CE2 3.95Å; Y67-F71 AromaticContact CE1-CE2 3.57Å; Y67-F71 HydrophobicContact CE1-CE2 3.57Å; Y67-F71 HydrophobicContact CE1-CZ 4.01Å; C68-F71 PolarHBondContact O-N 3.09Å; S69-F71 PolarHBondContact O-N 3.09Å; F71-S77 CarbonylContact O-C 3.33Å; F71-S77 VanDerWaalsContact O-CA 3.31Å; F71-S77 WeakPolarHBondContact O-CA 3.47Å; F71-A78 HydrophobicContact CB-CB 4.19Å; F71-A78 PolarHBondContact O-N 3.23Å
72	S	94.1	Very high	96	Very high	81 Å²	81	58.6 Å²	58.6	57%	0.566	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	148.7	-177.9	66.2	0	0	0	0	113	K76	S72-K76 CarbonylContact C-O 3.59Å; S72-K76 WeakPolarHBondContact CA-O 3.38Å; S72-K76 VanDerWaalsContact CB-O 3.29Å; S72-K76 WeakPolarHBondContact CB-O 3.31Å
73	V	89.1	Confident	96.1	Very high	14 Å²	14	55.5 Å²	55.5	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.2	173.1	167.3	0	0	0	0	107.1	P41 R75 K76 I180 L183	P41-V73 HydrophobicContact CG-CG2 3.59Å; V73-R75 PolarHBondContact O-N 3.42Å; V73-R75 VanDerWaalsContact O-N 3.14Å; V73-K76 PolarHBondContact N-O 2.99Å; V73-K76 PolarHBondContact O-N 3.29Å; V73-I180 HydrophobicContact CB-CD1 3.63Å; V73-I180 HydrophobicContact CB-CG1 4.3Å; V73-I180 HydrophobicContact CG2-CD1 3.78Å; V73-I180 HydrophobicContact CG2-CG2 4.36Å; V73-L183 HydrophobicContact CG1-CB 4.46Å; V73-L183 HydrophobicContact CG1-CD1 4.01Å; V73-L183 HydrophobicContact CG1-CD2 3.15Å; V73-L183 HydrophobicContact CG1-CG 3.25Å
74	G	86.9	Confident	96	Very high	71 Å²	71	54 Å²	54	73%	0.732	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-115.6	-172.2	0	0	0	0	0	111.7
75	R	88.5	Confident	96	Very high	254 Å²	254	55 Å²	55	96%	0.958	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	5.7	177.7	-63.7	-175.1	180	176.9	0.6	113.7	V73	V73-R75 PolarHBondContact O-N 3.42Å; V73-R75 VanDerWaalsContact O-N 3.14Å
76	K	91.7	Very high	95.8	Very high	133 Å²	133	59 Å²	59	58%	0.578	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.5	179.1	-61.2	-63.9	-172.5	170.3	0	108.5	S72 V73 I180	S72-K76 CarbonylContact C-O 3.59Å; S72-K76 WeakPolarHBondContact CA-O 3.38Å; S72-K76 VanDerWaalsContact CB-O 3.29Å; S72-K76 WeakPolarHBondContact CB-O 3.31Å; V73-K76 PolarHBondContact N-O 2.99Å; V73-K76 PolarHBondContact O-N 3.29Å; K76-I180 HydrophobicContact CB-CG1 4.44Å; K76-I180 WeakPolarHBondContact O-CD1 3.35Å
77	S	95.8	Very high	95.6	Very high	64 Å²	64	57.8 Å²	57.8	45%	0.448	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	150.9	168.8	-65.5	0	0	0	0	109.2	F71	F71-S77 CarbonylContact O-C 3.33Å; F71-S77 VanDerWaalsContact O-CA 3.31Å; F71-S77 WeakPolarHBondContact O-CA 3.47Å
78	A	97.9	Very high	95.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-72.8	154.3	174.2	0	0	0	0	0	109.8	W44 C68 S69 F71 C178 K179 I180	W44-A78 HydrophobicContact CH2-CB 3.6Å; W44-A78 HydrophobicContact CZ3-CB 4.19Å; C68-A78 CarbonylContact C-O 3.1Å; C68-A78 VanDerWaalsContact C-O 3.24Å; C68-A78 HydrophobicContact CB-CB 4.45Å; C68-A78 WeakPolarHBondContact O-CB 3.33Å; S69-A78 VanDerWaalsContact CA-O 3.28Å; S69-A78 WeakPolarHBondContact CA-O 2.99Å; S69-A78 PolarHBondContact N-O 3.38Å; F71-A78 HydrophobicContact CB-CB 4.19Å; F71-A78 PolarHBondContact O-N 3.23Å; A78-C178 HydrophobicContact CB-CB 4.34Å; A78-K179 VanDerWaalsContact CA-O 3.25Å; A78-K179 WeakPolarHBondContact CA-O 3.4Å; A78-K179 WeakPolarHBondContact CB-O 3.47Å; A78-I180 HydrophobicContact CB-CB 3.74Å; A78-I180 HydrophobicContact CB-CD1 4.13Å; A78-I180 HydrophobicContact CB-CG1 4.29Å; A78-I180 HydrophobicContact CB-CG2 4.46Å
79	K	98.4	Very high	95.4	Very high	59 Å²	59	56 Å²	56	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	168.2	176.4	-72.7	-59.6	-166.1	179.7	0	109.5	D65 S69 D124 C178 K179	D65-K79 WeakPolarHBondContact OD1-CD 3.29Å; D65-K79 IonicContact OD2-NZ 3.81Å; D65-K79 PolarHBondContact OD2-NZ 3.26Å; S69-K79 PolarHBondContact OG-NZ 3.26Å; K79-D124 HydrophobicContact CB-CB 3.91Å; K79-D124 HydrophobicContact CG-CB 4.05Å; K79-C178 CarbonylContact O-C 3.57Å; K79-C178 VanDerWaalsContact O-CA 3.23Å; K79-C178 WeakPolarHBondContact O-CA 3.36Å; K79-K179 PolarHBondContact N-O 3Å; K79-K179 PolarHBondContact O-N 3.23Å
80	L	98.6	Very high	95.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	144.8	165.5	-77.2	173.3	0	0	0	110	W61 A64 D65 S82 W108 T109 F176	W61-L80 HydrophobicContact CD2-CD1 4.17Å; W61-L80 HydrophobicContact CG-CD1 4.19Å; W61-L80 HydrophobicContact CZ2-CD1 4.42Å; A64-L80 HydrophobicContact CB-CD1 4.32Å; A64-L80 HydrophobicContact CB-CD2 3.95Å; D65-L80 HydrophobicContact CB-CD1 3.81Å; D65-L80 HydrophobicContact CB-CG 3.97Å; D65-L80 PolarHBondContact OD1-N 2.92Å; D65-L80 VanDerWaalsContact OD1-N 3.07Å; L80-S82 PolarHBondContact O-N 3.42Å; L80-W108 HydrophobicContact CD2-CB 4.27Å; L80-T109 WeakPolarHBondContact CD1-O 3.35Å; L80-F176 HydrophobicContact CD2-CB 3.66Å; L80-F176 HydrophobicContact CD2-CD2 4.12Å; L80-F176 HydrophobicContact CD2-CG 4.24Å
81	A	98.4	Very high	95.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.9	125.6	-170	0	0	0	0	0	112.2	Y52 G110 W122 V177 K179	Y52-A81 HydrophobicContact CD1-CB 4.42Å; A81-G110 PolarHBondContact O-N 3.1Å; A81-W122 WeakPolarHBondContact O-CZ3 3.27Å; A81-V177 HydrophobicContact CB-CB 4.18Å; A81-V177 HydrophobicContact CB-CG1 3.96Å; A81-V177 WeakPolarHBondContact CB-O 3.43Å; A81-V177 PolarHBondContact N-O 2.85Å; A81-K179 HydrophobicContact CB-CB 4.01Å
82	S	98.4	Very high	95	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-82.7	149.6	160.7	54.6	0	0	0	0	111.4	L80 H84 W122 D124 S126 K179	L80-S82 PolarHBondContact O-N 3.42Å; S82-H84 WeakPolarHBondContact CB-NE2 3.26Å; S82-H84 PolarHBondContact OG-NE2 3.02Å; S82-W122 VanDerWaalsContact CA-CZ3 3.49Å; S82-D124 WeakPolarHBondContact CB-OD2 3.45Å; S82-D124 PolarHBondContact OG-OD2 3.34Å; S82-S126 WeakPolarHBondContact CB-OG 3.5Å; S82-K179 PolarHBondContact O-NZ 3.4Å; S82-K179 WeakPolarHBondContact OG-CD 3.19Å; S82-K179 WeakPolarHBondContact OG-CE 3.41Å; S82-K179 PolarHBondContact OG-NZ 2.75Å
83	I	98.1	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.			trans	-134.1	120.5	-176.3	-55.5	175.1	0	0	0	109.4	E88 N89 T109 W122 Y130 I154 W165	I83-E88 HydrophobicContact CG2-CB 4.15Å; I83-E88 HydrophobicContact CG2-CG 4.27Å; I83-N89 HydrophobicContact CG2-CB 3.81Å; I83-T109 HydrophobicContact CD1-CG2 4.09Å; I83-W122 HydrophobicContact CB-CH2 3.97Å; I83-W122 HydrophobicContact CB-CZ2 4.13Å; I83-W122 HydrophobicContact CG1-CH2 4.17Å; I83-W122 VanDerWaalsContact N-CH2 3.35Å; I83-W122 VanDerWaalsContact N-CZ2 3.25Å; I83-W122 VanDerWaalsContact O-CZ2 3.3Å; I83-W122 WeakPolarHBondContact O-CZ2 3Å; I83-Y130 HydrophobicContact CG2-CD1 3.95Å; I83-Y130 HydrophobicContact CG2-CE1 3.98Å; I83-I154 HydrophobicContact CD1-CD1 3.95Å; I83-I154 HydrophobicContact CD1-CG1 4.39Å; I83-W165 HydrophobicContact CB-CH2 4.33Å; I83-W165 HydrophobicContact CB-CZ2 3.83Å; I83-W165 HydrophobicContact CD1-CZ2 4.07Å; I83-W165 HydrophobicContact CG2-CZ2 3.87Å
84	H	97.4	Very high	94.8	Very high	51 Å²	51	50.1 Å²	50.1	24%	0.236	25%	0.248	C	C	.	.			trans	-121.2	0.4	-172.2	-56.7	-71.1	0	0	0	113.4	S82 E88 W122 S126 S127 D129 Y130 K179	S82-H84 WeakPolarHBondContact CB-NE2 3.26Å; S82-H84 PolarHBondContact OG-NE2 3.02Å; H84-E88 IonicContact CD2-OE2 3.74Å; H84-E88 PolarHBondContact N-OE2 3.42Å; H84-W122 AromaticContact CE1-CD1 3.93Å; H84-W122 AromaticContact CE1-NE1 3.78Å; H84-S126 PolarHBondContact CE1-OG 2.96Å; H84-S126 PolarHBondContact NE2-OG 2.89Å; H84-S127 PolarHBondContact CE1-O 2.81Å; H84-S127 VanDerWaalsContact CE1-O 3.29Å; H84-S127 PolarHBondContact ND1-O 2.61Å; H84-D129 IonicContact CE1-OD1 3.92Å; H84-D129 IonicContact CG-OD1 3.73Å; H84-D129 IonicContact ND1-OD1 2.69Å; H84-D129 PolarHBondContact ND1-OD1 2.88Å; H84-D129 IonicContact ND1-OD2 2.89Å; H84-Y130 VanDerWaalsContact C-CB 3.48Å; H84-K179 PolarHBondContact CD2-NZ 3.45Å
85	S	96.8	Very high	95.1	Very high	21 Å²	21	47.5 Å²	47.5	15%	0.147	22%	0.217	C	C	.	.	S	Bend	trans	-154.5	162.7	173.9	92.9	0	0	0	0	112.8	E87 E88 N89	S85-E87 VanDerWaalsContact C-N 3.29Å; S85-E87 WeakPolarHBondContact CB-OE2 3.37Å; S85-E87 PolarHBondContact O-N 3.32Å; S85-E87 PolarHBondContact OG-N 2.78Å; S85-E87 PolarHBondContact OG-OE2 3Å; S85-E88 WeakPolarHBondContact O-CB 3.41Å; S85-E88 PolarHBondContact O-N 3.16Å; S85-E88 PolarHBondContact OG-N 2.98Å; S85-N89 PolarHBondContact O-N 3.32Å
86	W	94.1	Very high	95	Very high	103 Å²	103	35.7 Å²	35.7	39%	0.39	17%	0.173	S	C	.	.	H	α-helix	trans	-55.5	-45.3	171.6	164.7	-99.6	0	0	0	112.1	E88 N89 V90 Y130 Y132	W86-E88 VanDerWaalsContact C-N 3.28Å; W86-E88 PolarHBondContact O-N 2.88Å; W86-N89 WeakPolarHBondContact O-CB 3.06Å; W86-N89 PolarHBondContact O-N 3.01Å; W86-V90 HydrophobicContact CD2-CG2 4.09Å; W86-V90 HydrophobicContact CH2-CG2 4.14Å; W86-V90 HydrophobicContact CZ2-CG2 3.66Å; W86-V90 WeakPolarHBondContact O-CG2 3.47Å; W86-V90 PolarHBondContact O-N 3.19Å; W86-Y130 VanDerWaalsContact CA-OH 3.31Å; W86-Y130 WeakPolarHBondContact CA-OH 3.37Å; W86-Y130 HydrophobicContact CB-CE2 4.41Å; W86-Y132 HydrophobicContact CE3-CD2 4.27Å; W86-Y132 AromaticContact CE3-CE2 3.9Å; W86-Y132 HydrophobicContact CE3-CE2 3.9Å; W86-Y132 HydrophobicContact CZ3-CD1 4.49Å; W86-Y132 HydrophobicContact CZ3-CD2 4.4Å; W86-Y132 AromaticContact CZ3-CE1 3.91Å; W86-Y132 HydrophobicContact CZ3-CE1 3.91Å; W86-Y132 AromaticContact CZ3-CE2 3.7Å; W86-Y132 HydrophobicContact CZ3-CE2 3.7Å; W86-Y132 AromaticContact CZ3-CZ 3.43Å; W86-Y132 VanDerWaalsContact CZ3-CZ 3.43Å; W86-Y132 WeakPolarHBondContact CZ3-OH 3.24Å
87	E	95.9	Very high	94.8	Very high	95 Å²	95	31.7 Å²	31.7	44%	0.444	16%	0.158	S	C	.	.	H	α-helix	trans	-64.7	-35.3	-179.3	-56.5	73.5	-151.9	0	0	111.8	F47 K48 S85 F91	F47-E87 HydrophobicContact CZ-CB 3.91Å; K48-E87 IonicContact NZ-OE2 3.81Å; S85-E87 VanDerWaalsContact C-N 3.29Å; S85-E87 WeakPolarHBondContact CB-OE2 3.37Å; S85-E87 PolarHBondContact O-N 3.32Å; S85-E87 PolarHBondContact OG-N 2.78Å; S85-E87 PolarHBondContact OG-OE2 3Å; E87-F91 VanDerWaalsContact O-CB 3.29Å; E87-F91 WeakPolarHBondContact O-CB 3.23Å; E87-F91 PolarHBondContact O-N 3.28Å
88	E	97.2	Very high	94.3	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-43.1	175.1	-168.8	173.4	-168.5	0	0	111.3	F47 Y52 I83 H84 S85 W86 V90 F91 V92 K179	F47-E88 HydrophobicContact CD1-CB 4.42Å; F47-E88 HydrophobicContact CD1-CG 4.2Å; F47-E88 HydrophobicContact CE1-CB 3.65Å; F47-E88 HydrophobicContact CE1-CG 3.92Å; F47-E88 HydrophobicContact CZ-CB 4.31Å; Y52-E88 PolarHBondContact OH-OE1 3.42Å; I83-E88 HydrophobicContact CG2-CB 4.15Å; I83-E88 HydrophobicContact CG2-CG 4.27Å; H84-E88 IonicContact CD2-OE2 3.74Å; H84-E88 PolarHBondContact N-OE2 3.42Å; S85-E88 WeakPolarHBondContact O-CB 3.41Å; S85-E88 PolarHBondContact O-N 3.16Å; S85-E88 PolarHBondContact OG-N 2.98Å; W86-E88 VanDerWaalsContact C-N 3.28Å; W86-E88 PolarHBondContact O-N 2.88Å; E88-V90 VanDerWaalsContact C-N 3.33Å; E88-V90 PolarHBondContact O-N 2.93Å; E88-F91 PolarHBondContact O-N 3.07Å; E88-V92 WeakPolarHBondContact O-CG2 3.25Å; E88-V92 PolarHBondContact O-N 2.95Å; E88-K179 IonicContact OE1-NZ 2.98Å; E88-K179 PolarHBondContact OE1-NZ 3.32Å
89	N	95.1	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-46.4	175.3	-168.9	73.9	0	0	0	111.6	I83 S85 W86 V92 Y93 Y130 R163 W165	I83-N89 HydrophobicContact CG2-CB 3.81Å; S85-N89 PolarHBondContact O-N 3.32Å; W86-N89 WeakPolarHBondContact O-CB 3.06Å; W86-N89 PolarHBondContact O-N 3.01Å; N89-V92 PolarHBondContact O-N 2.86Å; N89-Y93 WeakPolarHBondContact O-CB 3.45Å; N89-Y93 PolarHBondContact O-N 2.97Å; N89-Y130 HydrophobicContact CB-CE1 4.37Å; N89-R163 PolarHBondContact ND2-O 2.9Å; N89-W165 PolarHBondContact OD1-NE1 2.87Å
90	V	92.4	Very high	92.7	Very high	34 Å²	34	34.2 Å²	34.2	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-45.8	176.2	172.8	0	0	0	0	110.8	W86 E88 V92 Y93 D94	W86-V90 HydrophobicContact CD2-CG2 4.09Å; W86-V90 HydrophobicContact CH2-CG2 4.14Å; W86-V90 HydrophobicContact CZ2-CG2 3.66Å; W86-V90 WeakPolarHBondContact O-CG2 3.47Å; W86-V90 PolarHBondContact O-N 3.19Å; E88-V90 VanDerWaalsContact C-N 3.33Å; E88-V90 PolarHBondContact O-N 2.93Å; V90-V92 PolarHBondContact O-N 3.26Å; V90-Y93 PolarHBondContact O-N 2.87Å; V90-D94 WeakPolarHBondContact O-CB 3.49Å; V90-D94 PolarHBondContact O-N 3.03Å
91	F	94.9	Very high	91.6	Very high	41 Å²	41	39 Å²	39	18%	0.18	21%	0.213	C	C	.	.	H	α-helix	trans	-58.7	-46.8	178	167.1	-92.4	0	0	0	112.3	M45 F47 Y52 E87 E88 Y93 D94 L95	M45-F91 HydrophobicContact CB-CE2 4.45Å; M45-F91 HydrophobicContact CB-CZ 3.91Å; F47-F91 HydrophobicContact CB-CD1 3.75Å; F47-F91 HydrophobicContact CB-CD2 3.92Å; F47-F91 HydrophobicContact CB-CE1 3.61Å; F47-F91 HydrophobicContact CB-CE2 3.75Å; F47-F91 HydrophobicContact CB-CG 3.91Å; F47-F91 HydrophobicContact CB-CZ 3.59Å; F47-F91 HydrophobicContact CD1-CD1 4.26Å; F47-F91 HydrophobicContact CD1-CG 4.37Å; F47-F91 HydrophobicContact CD2-CB 3.89Å; F47-F91 HydrophobicContact CD2-CD1 4.26Å; F47-F91 AromaticContact CD2-CD2 3.66Å; F47-F91 HydrophobicContact CD2-CD2 3.66Å; F47-F91 HydrophobicContact CD2-CE2 4.28Å; F47-F91 AromaticContact CD2-CG 3.64Å; F47-F91 HydrophobicContact CD2-CG 3.64Å; F47-F91 HydrophobicContact CE2-CB 3.93Å; F47-F91 HydrophobicContact CE2-CD2 4.45Å; F47-F91 HydrophobicContact CE2-CG 4.21Å; F47-F91 HydrophobicContact CG-CB 4.23Å; F47-F91 AromaticContact CG-CD1 3.85Å; F47-F91 HydrophobicContact CG-CD1 3.85Å; F47-F91 AromaticContact CG-CD2 3.99Å; F47-F91 HydrophobicContact CG-CD2 3.99Å; F47-F91 HydrophobicContact CG-CE1 4.24Å; F47-F91 HydrophobicContact CG-CE2 4.34Å; F47-F91 AromaticContact CG-CG 3.72Å; F47-F91 HydrophobicContact CG-CG 3.72Å; F47-F91 HydrophobicContact CG-CZ 4.45Å; F47-F91 HydrophobicContact CZ-CB 4.32Å; Y52-F91 HydrophobicContact CD1-CE1 4.12Å; Y52-F91 HydrophobicContact CD2-CD1 4.3Å; Y52-F91 AromaticContact CD2-CE1 3.37Å; Y52-F91 HydrophobicContact CD2-CE1 3.37Å; Y52-F91 AromaticContact CD2-CZ 3.96Å; Y52-F91 HydrophobicContact CD2-CZ 3.96Å; Y52-F91 HydrophobicContact CE2-CD1 4.5Å; Y52-F91 AromaticContact CE2-CE1 3.93Å; Y52-F91 HydrophobicContact CE2-CE1 3.93Å; Y52-F91 HydrophobicContact CG-CD1 4.42Å; Y52-F91 AromaticContact CG-CE1 3.51Å; Y52-F91 HydrophobicContact CG-CE1 3.51Å; Y52-F91 HydrophobicContact CG-CZ 4.3Å; E87-F91 VanDerWaalsContact O-CB 3.29Å; E87-F91 WeakPolarHBondContact O-CB 3.23Å; E87-F91 PolarHBondContact O-N 3.28Å; E88-F91 PolarHBondContact O-N 3.07Å; F91-Y93 VanDerWaalsContact C-N 3.33Å; F91-Y93 PolarHBondContact O-N 2.94Å; F91-D94 PolarHBondContact O-N 3.34Å; F91-L95 WeakPolarHBondContact O-CB 3.36Å; F91-L95 PolarHBondContact O-N 2.78Å
92	V	94.5	Very high	90.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-43.5	178.4	171.7	0	0	0	0	110.5	Y52 E88 N89 V90 L95 V96 I154 V177	Y52-V92 HydrophobicContact CD1-CG2 4.17Å; Y52-V92 HydrophobicContact CE1-CG2 4.21Å; E88-V92 WeakPolarHBondContact O-CG2 3.25Å; E88-V92 PolarHBondContact O-N 2.95Å; N89-V92 PolarHBondContact O-N 2.86Å; V90-V92 PolarHBondContact O-N 3.26Å; V92-L95 WeakPolarHBondContact O-CB 3.42Å; V92-L95 PolarHBondContact O-N 2.81Å; V92-V96 WeakPolarHBondContact O-CG2 3.21Å; V92-V96 PolarHBondContact O-N 2.87Å; V92-I154 HydrophobicContact CB-CD1 4.25Å; V92-I154 HydrophobicContact CG1-CD1 3.61Å; V92-V177 HydrophobicContact CG1-CB 4.22Å; V92-V177 HydrophobicContact CG1-CG1 4.25Å; V92-V177 HydrophobicContact CG1-CG2 4.01Å
93	Y	89.6	Confident	88.8	Confident	29 Å²	29	47.6 Å²	47.6	11%	0.114	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-43.7	177.7	-178.4	-102	0	0	0	112.9	N89 V90 F91 L95 V96 N97 I154 R163	N89-Y93 WeakPolarHBondContact O-CB 3.45Å; N89-Y93 PolarHBondContact O-N 2.97Å; V90-Y93 PolarHBondContact O-N 2.87Å; F91-Y93 VanDerWaalsContact C-N 3.33Å; F91-Y93 PolarHBondContact O-N 2.94Å; Y93-L95 VanDerWaalsContact C-N 3.3Å; Y93-L95 PolarHBondContact O-N 2.84Å; Y93-V96 WeakPolarHBondContact O-CB 3.31Å; Y93-V96 PolarHBondContact O-N 2.81Å; Y93-N97 WeakPolarHBondContact CD1-ND2 3.29Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.17Å; Y93-N97 PolarHBondContact O-N 2.81Å; Y93-I154 HydrophobicContact CD2-CG2 4.1Å; Y93-R163 HydrophobicContact CD1-CB 4.36Å; Y93-R163 HydrophobicContact CD1-CG 3.53Å; Y93-R163 HydrophobicContact CD2-CB 3.96Å; Y93-R163 HydrophobicContact CD2-CG 3.75Å; Y93-R163 HydrophobicContact CE1-CG 3.49Å; Y93-R163 VanDerWaalsContact CE1-CG 3.49Å; Y93-R163 VanDerWaalsContact CE1-NE 3.25Å; Y93-R163 HydrophobicContact CE2-CB 4.3Å; Y93-R163 HydrophobicContact CE2-CG 3.76Å; Y93-R163 HydrophobicContact CG-CB 3.98Å; Y93-R163 HydrophobicContact CG-CG 3.63Å
94	D	90.4	Very high	87.5	Confident	84 Å²	84	51.1 Å²	51.1	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-33.9	178.4	-75.4	-13	0	0	0	111.7	V90 F91 V96 N97 S98	V90-D94 WeakPolarHBondContact O-CB 3.49Å; V90-D94 PolarHBondContact O-N 3.03Å; F91-D94 PolarHBondContact O-N 3.34Å; D94-V96 PolarHBondContact O-N 3.46Å; D94-N97 PolarHBondContact O-N 3.43Å; D94-S98 WeakPolarHBondContact O-CB 3.46Å; D94-S98 PolarHBondContact O-N 3.42Å; D94-S98 PolarHBondContact O-OG 3.05Å
95	L	91.9	Very high	86.7	Confident	15 Å²	15	49.5 Å²	49.5	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-47.3	171.9	176.9	61.1	0	0	0	111.3	M45 F54 F91 V92 Y93 S98 C99 V177	M45-L95 HydrophobicContact CB-CD1 4.28Å; M45-L95 HydrophobicContact CG-CD1 3.64Å; F54-L95 HydrophobicContact CB-CD2 4.35Å; F54-L95 HydrophobicContact CB-CG 4.12Å; F91-L95 WeakPolarHBondContact O-CB 3.36Å; F91-L95 PolarHBondContact O-N 2.78Å; V92-L95 WeakPolarHBondContact O-CB 3.42Å; V92-L95 PolarHBondContact O-N 2.81Å; Y93-L95 VanDerWaalsContact C-N 3.3Å; Y93-L95 PolarHBondContact O-N 2.84Å; L95-S98 PolarHBondContact O-N 3.45Å; L95-S98 PolarHBondContact O-OG 2.88Å; L95-C99 PolarHBondContact O-N 2.92Å; L95-C99 PolarHBondContact O-SG 2.99Å; L95-V177 HydrophobicContact CD2-CG1 4.28Å
96	V	88.4	Confident	86.5	Confident	6 Å²	6	50 Å²	50	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-52	177.2	175.9	0	0	0	0	110.4	F54 V92 Y93 D94 S98 C99 V100 V107 V177	F54-V96 HydrophobicContact CD2-CB 4.39Å; F54-V96 HydrophobicContact CD2-CG1 4.36Å; F54-V96 HydrophobicContact CD2-CG2 3.73Å; F54-V96 HydrophobicContact CE1-CG1 4.48Å; F54-V96 HydrophobicContact CE2-CB 4.43Å; F54-V96 HydrophobicContact CE2-CG1 3.92Å; F54-V96 HydrophobicContact CE2-CG2 4.03Å; F54-V96 HydrophobicContact CG-CG2 4.24Å; F54-V96 HydrophobicContact CZ-CG1 3.97Å; V92-V96 WeakPolarHBondContact O-CG2 3.21Å; V92-V96 PolarHBondContact O-N 2.87Å; Y93-V96 WeakPolarHBondContact O-CB 3.31Å; Y93-V96 PolarHBondContact O-N 2.81Å; D94-V96 PolarHBondContact O-N 3.46Å; V96-S98 VanDerWaalsContact C-N 3.3Å; V96-S98 PolarHBondContact O-N 3.21Å; V96-C99 PolarHBondContact O-N 3.2Å; V96-C99 VanDerWaalsContact O-N 3.1Å; V96-V100 HydrophobicContact CG1-CG2 4.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.34Å; V96-V100 PolarHBondContact O-N 2.91Å; V96-V107 HydrophobicContact CB-CG2 4.45Å; V96-V107 HydrophobicContact CG1-CG2 3.79Å; V96-V107 HydrophobicContact CG2-CB 4.47Å; V96-V107 HydrophobicContact CG2-CG1 4.15Å; V96-V107 HydrophobicContact CG2-CG2 3.84Å; V96-V177 HydrophobicContact CG2-CG2 3.88Å
97	N	85.6	Confident	86.5	Confident	49 Å²	49	45.3 Å²	45.3	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-35.5	-179.5	-79.1	-29.4	0	0	0	113.5	Y93 D94 C99 V100 P101	Y93-N97 WeakPolarHBondContact CD1-ND2 3.29Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.17Å; Y93-N97 PolarHBondContact O-N 2.81Å; D94-N97 PolarHBondContact O-N 3.43Å; N97-C99 VanDerWaalsContact C-N 3.27Å; N97-C99 PolarHBondContact O-N 3.1Å; N97-V100 CarbonylContact O-C 3.5Å; N97-P101 VanDerWaalsContact O-CA 3.27Å; N97-P101 WeakPolarHBondContact O-CA 3.49Å; N97-P101 WeakPolarHBondContact O-CG 3.34Å; N97-P101 VanDerWaalsContact O-N 3.17Å
98	S	86.2	Confident	86.6	Confident	82 Å²	82	40.9 Å²	40.9	57%	0.573	26%	0.257	S	S	*	.	H	α-helix	trans	-66.5	-31.1	177.4	74.6	0	0	0	0	112.5	D94 L95 V96	D94-S98 WeakPolarHBondContact O-CB 3.46Å; D94-S98 PolarHBondContact O-N 3.42Å; D94-S98 PolarHBondContact O-OG 3.05Å; L95-S98 PolarHBondContact O-N 3.45Å; L95-S98 PolarHBondContact O-OG 2.88Å; V96-S98 VanDerWaalsContact C-N 3.3Å; V96-S98 PolarHBondContact O-N 3.21Å
99	C	83.4	Confident	86.6	Confident	68 Å²	68	40.4 Å²	40.4	46%	0.459	26%	0.255	S	S	.	.	H	α-helix	trans	-84.1	-35.4	-178.9	-65.8	0	0	0	0	112.8	F54 L95 V96 N97	F54-C99 HydrophobicContact CD1-CB 3.47Å; F54-C99 VanDerWaalsContact CD1-CB 3.47Å; F54-C99 HydrophobicContact CE1-CB 3.93Å; L95-C99 PolarHBondContact O-N 2.92Å; L95-C99 PolarHBondContact O-SG 2.99Å; V96-C99 PolarHBondContact O-N 3.2Å; V96-C99 VanDerWaalsContact O-N 3.1Å; N97-C99 VanDerWaalsContact C-N 3.27Å; N97-C99 PolarHBondContact O-N 3.1Å
100	V	78.9	Confident	86.7	Confident	26 Å²	26	40.4 Å²	40.4	16%	0.158	26%	0.255	C	S	.	.	S	Bend	trans	-130.5	68.6	179	-71.4	0	0	0	0	111.8	F54 P56 V96 N97 G102 I103	F54-V100 HydrophobicContact CE1-CG1 4.16Å; F54-V100 HydrophobicContact CE1-CG2 3.87Å; F54-V100 HydrophobicContact CZ-CG2 4.08Å; P56-V100 HydrophobicContact CB-CG1 4.38Å; V96-V100 HydrophobicContact CG1-CG2 4.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.34Å; V96-V100 PolarHBondContact O-N 2.91Å; N97-V100 CarbonylContact O-C 3.5Å; V100-G102 PolarHBondContact O-N 2.03Å; V100-I103 HydrophobicContact CB-CB 4.2Å; V100-I103 HydrophobicContact CB-CD1 4.36Å; V100-I103 PolarHBondContact O-N 3.07Å; V100-I103 VanDerWaalsContact O-N 3.16Å
101	P	76.3	Confident	86.9	Confident	102 Å²	102	38.8 Å²	38.8	66%	0.662	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	125.6	-175.3	-22.9	32.9	0	0	0	112.2	N97 I103	N97-P101 VanDerWaalsContact O-CA 3.27Å; N97-P101 WeakPolarHBondContact O-CA 3.49Å; N97-P101 WeakPolarHBondContact O-CG 3.34Å; N97-P101 VanDerWaalsContact O-N 3.17Å; P101-I103 VanDerWaalsContact C-N 3.28Å; P101-I103 PolarHBondContact O-N 3.47Å
102	G	68.6	Low	86.9	Confident	77 Å²	77	37.3 Å²	37.3	79%	0.794	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	8	175.9	0	0	0	0	0	115.2	V100 P104	V100-G102 PolarHBondContact O-N 2.03Å; G102-P104 WeakPolarHBondContact O-CD 3.4Å
103	I	69.8	Low	86.7	Confident	104 Å²	104	37.4 Å²	37.4	53%	0.533	24%	0.239	S	C	.	.			trans	-101.7	107.5	170	-56.8	-178.6	0	0	0	108.3	V100 P101 A105	V100-I103 HydrophobicContact CB-CB 4.2Å; V100-I103 HydrophobicContact CB-CD1 4.36Å; V100-I103 PolarHBondContact O-N 3.07Å; V100-I103 VanDerWaalsContact O-N 3.16Å; P101-I103 VanDerWaalsContact C-N 3.28Å; P101-I103 PolarHBondContact O-N 3.47Å; I103-A105 PolarHBondContact O-N 3.5Å
104	P	70.1	Confident	86.5	Confident	73 Å²	73	40.8 Å²	40.8	47%	0.474	26%	0.256	S	S	.	.			trans	-48.3	121	165.9	-32.6	40.3	0	0	0	111.3	G102 Y156	G102-P104 WeakPolarHBondContact O-CD 3.4Å; P104-Y156 HydrophobicContact CB-CD1 3.42Å; P104-Y156 VanDerWaalsContact CB-CD1 3.42Å; P104-Y156 HydrophobicContact CB-CD2 4.41Å; P104-Y156 HydrophobicContact CB-CE1 3.31Å; P104-Y156 HydrophobicContact CB-CE2 4.34Å; P104-Y156 HydrophobicContact CB-CG 3.98Å; P104-Y156 HydrophobicContact CG-CD1 4.12Å; P104-Y156 HydrophobicContact CG-CE1 3.46Å; P104-Y156 VanDerWaalsContact CG-CE1 3.46Å; P104-Y156 HydrophobicContact CG-CE2 4.45Å
105	A	81.1	Confident	86.2	Confident	18 Å²	18	45.1 Å²	45.1	15%	0.149	27%	0.266	C	S	.	.			trans	-140.1	123.2	172.6	0	0	0	0	0	109.4	I103 V107 P175	I103-A105 PolarHBondContact O-N 3.5Å; A105-V107 HydrophobicContact CB-CG2 4.27Å; A105-P175 HydrophobicContact CB-CG 4.24Å
106	D	91.1	Very high	85.8	Confident	32 Å²	32	50.4 Å²	50.4	17%	0.171	29%	0.29	C	S	.	.			trans	-69.4	142.8	157.8	-65.5	-9.8	0	0	0	107.9	Q153 W155 Y156 F174 P175	D106-Q153 VanDerWaalsContact CB-OE1 3.28Å; D106-Q153 PolarHBondContact OD2-NE2 3.01Å; D106-W155 VanDerWaalsContact OD1-CD1 3.29Å; D106-Y156 WeakPolarHBondContact OD1-CB 3.36Å; D106-Y156 PolarHBondContact OD1-N 3Å; D106-F174 HydrophobicContact CB-CD1 3.88Å; D106-F174 HydrophobicContact CB-CE1 4.02Å; D106-F174 HydrophobicContact CB-CG 4.16Å; D106-F174 HydrophobicContact CB-CZ 4.43Å; D106-P175 WeakPolarHBondContact O-CD 3.2Å
107	V	94.5	Very high	85.5	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.1	-171.3	-178.4	0	0	0	0	110.5	F54 V96 A105 Q153 I154 P175 V177	F54-V107 HydrophobicContact CE2-CG2 4.24Å; V96-V107 HydrophobicContact CB-CG2 4.45Å; V96-V107 HydrophobicContact CG1-CG2 3.79Å; V96-V107 HydrophobicContact CG2-CB 4.47Å; V96-V107 HydrophobicContact CG2-CG1 4.15Å; V96-V107 HydrophobicContact CG2-CG2 3.84Å; A105-V107 HydrophobicContact CB-CG2 4.27Å; V107-Q153 CarbonylContact O-C 3.54Å; V107-Q153 WeakPolarHBondContact O-CA 3.4Å; V107-Q153 WeakPolarHBondContact O-CB 3.44Å; V107-I154 PolarHBondContact N-O 3.04Å; V107-I154 VanDerWaalsContact N-O 3.14Å; V107-I154 PolarHBondContact O-N 3.3Å; V107-P175 WeakPolarHBondContact CA-O 2.83Å; V107-V177 HydrophobicContact CG1-CG2 3.78Å
108	W	97.6	Very high	85.4	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.2	175.8	-69.7	136	0	0	0	112.5	K59 W61 L80 C151 Q153 N168 R172 F174 P175 F176	K59-W108 PolarHBondContact O-NE1 3.35Å; W61-W108 HydrophobicContact CB-CD2 4.28Å; W61-W108 HydrophobicContact CB-CZ2 4.3Å; W61-W108 AromaticContact CD1-CD2 3.98Å; W61-W108 AromaticContact CD1-CE3 3.99Å; L80-W108 HydrophobicContact CD2-CB 4.27Å; W108-C151 HydrophobicContact CE3-CB 4.49Å; W108-C151 HydrophobicContact CH2-CB 4.09Å; W108-C151 HydrophobicContact CZ3-CB 3.92Å; W108-C151 WeakPolarHBondContact CZ3-O 3.44Å; W108-Q153 HydrophobicContact CE3-CB 3.77Å; W108-Q153 HydrophobicContact CZ3-CB 3.9Å; W108-Q153 HydrophobicContact CZ3-CG 4.41Å; W108-N168 HydrophobicContact CH2-CB 4.01Å; W108-N168 HydrophobicContact CZ3-CB 4.12Å; W108-R172 HydrophobicContact CZ2-CB 4.14Å; W108-R172 WeakPolarHBondContact CZ2-O 3.41Å; W108-F174 HydrophobicContact CD2-CB 4.26Å; W108-F174 AromaticContact CD2-CD2 3.78Å; W108-F174 HydrophobicContact CD2-CD2 3.78Å; W108-F174 AromaticContact CE2-CD2 3.34Å; W108-F174 HydrophobicContact CE3-CD2 4.06Å; W108-F174 HydrophobicContact CG-CB 4.17Å; W108-F174 AromaticContact CH2-CD2 3.55Å; W108-F174 HydrophobicContact CH2-CD2 3.55Å; W108-F174 AromaticContact CH2-CE2 3.59Å; W108-F174 HydrophobicContact CH2-CE2 3.59Å; W108-F174 AromaticContact CZ2-CD2 3.25Å; W108-F174 HydrophobicContact CZ2-CD2 3.25Å; W108-F174 AromaticContact CZ2-CE2 3.61Å; W108-F174 HydrophobicContact CZ2-CE2 3.61Å; W108-F174 HydrophobicContact CZ2-CG 4.34Å; W108-F174 AromaticContact CZ3-CD2 3.93Å; W108-F174 HydrophobicContact CZ3-CD2 3.93Å; W108-F174 HydrophobicContact CZ3-CE2 4.16Å; W108-F174 AromaticContact NE1-CD2 3.86Å; W108-P175 PolarHBondContact N-O 3.27Å; W108-F176 HydrophobicContact CB-CB 3.93Å
109	T	97.3	Very high	85.5	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	173.4	166.7	74.4	0	0	0	0	109.6	W61 L80 I83 L111 V152 I154	W61-T109 PolarHBondContact NE1-O 2.86Å; L80-T109 WeakPolarHBondContact CD1-O 3.35Å; I83-T109 HydrophobicContact CD1-CG2 4.09Å; T109-L111 VanDerWaalsContact C-N 3.27Å; T109-L111 PolarHBondContact O-N 3.45Å; T109-L111 PolarHBondContact OG1-N 3.04Å; T109-V152 PolarHBondContact N-O 3.2Å; T109-V152 PolarHBondContact OG1-O 3.08Å; T109-I154 HydrophobicContact CG2-CD1 4.21Å; T109-I154 HydrophobicContact CG2-CG1 3.74Å
110	G	97.8	Very high	85.9	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	2.3	179.1	0	0	0	0	0	114.9	A81 W122 T123	A81-G110 PolarHBondContact O-N 3.1Å; G110-W122 WeakPolarHBondContact O-CA 3.28Å; G110-T123 WeakPolarHBondContact O-CG2 3.42Å; G110-T123 PolarHBondContact O-N 3.04Å
111	L	97.3	Very high	86.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.8	-175.5	-164	68.7	0	0	0	109.7	T109 F120 E121 W122 Y128 W133 V152 W165	T109-L111 VanDerWaalsContact C-N 3.27Å; T109-L111 PolarHBondContact O-N 3.45Å; T109-L111 PolarHBondContact OG1-N 3.04Å; L111-F120 HydrophobicContact CD1-CB 3.77Å; L111-F120 HydrophobicContact CD2-CB 4.2Å; L111-F120 HydrophobicContact CD2-CD1 4.04Å; L111-F120 HydrophobicContact CD2-CG 4.25Å; L111-F120 HydrophobicContact CG-CB 3.94Å; L111-F120 HydrophobicContact CG-CD1 3.86Å; L111-F120 HydrophobicContact CG-CG 4.24Å; L111-E121 WeakPolarHBondContact CA-O 3.32Å; L111-W122 HydrophobicContact CB-CD2 4.2Å; L111-W122 HydrophobicContact CB-CE3 3.65Å; L111-W122 HydrophobicContact CB-CH2 3.72Å; L111-W122 HydrophobicContact CB-CZ2 4.26Å; L111-W122 HydrophobicContact CB-CZ3 3.4Å; L111-W122 HydrophobicContact CD1-CD2 3.66Å; L111-W122 HydrophobicContact CD1-CE3 4.01Å; L111-W122 HydrophobicContact CD1-CG 4.1Å; L111-W122 HydrophobicContact CD1-CH2 4.28Å; L111-W122 HydrophobicContact CD1-CZ2 3.96Å; L111-W122 HydrophobicContact CD1-CZ3 4.31Å; L111-W122 HydrophobicContact CD2-CH2 4.42Å; L111-W122 HydrophobicContact CD2-CZ2 4.43Å; L111-W122 HydrophobicContact CG-CE3 4.46Å; L111-W122 HydrophobicContact CG-CH2 4.38Å; L111-W122 HydrophobicContact CG-CZ2 4.48Å; L111-W122 HydrophobicContact CG-CZ3 4.39Å; L111-Y128 HydrophobicContact CD1-CD2 3.54Å; L111-Y128 HydrophobicContact CD1-CE2 3.77Å; L111-Y128 HydrophobicContact CD1-CG 4.4Å; L111-Y128 HydrophobicContact CD2-CD2 4.2Å; L111-Y128 HydrophobicContact CD2-CE2 3.53Å; L111-Y128 HydrophobicContact CG-CE2 4.31Å; L111-W133 HydrophobicContact CD2-CH2 4.19Å; L111-W133 HydrophobicContact CD2-CZ2 3.95Å; L111-V152 HydrophobicContact CB-CB 3.81Å; L111-V152 HydrophobicContact CB-CG1 4.36Å; L111-V152 HydrophobicContact CB-CG2 3.84Å; L111-V152 HydrophobicContact CD2-CB 4.41Å; L111-V152 HydrophobicContact CD2-CG1 4.33Å; L111-V152 HydrophobicContact CD2-CG2 3.99Å; L111-V152 HydrophobicContact CG-CB 4.45Å; L111-V152 HydrophobicContact CG-CG2 3.98Å; L111-V152 WeakPolarHBondContact O-CB 3.33Å; L111-V152 WeakPolarHBondContact O-CG2 3.04Å; L111-V152 PolarHBondContact O-N 2.56Å; L111-V152 VanDerWaalsContact O-N 3.07Å; L111-W165 HydrophobicContact CD2-CE3 3.93Å; L111-W165 HydrophobicContact CD2-CZ3 3.7Å
112	H	94.6	Very high	87.8	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	167.4	177.4	69.4	73.5	0	0	0	111.4	W61 H114 F120 E121 D150	W61-H112 HydrophobicContact CH2-CB 4.03Å; W61-H112 AromaticContact CH2-CD2 3.41Å; W61-H112 VanDerWaalsContact CH2-CD2 3.41Å; W61-H112 WeakPolarHBondContact CH2-CD2 3.49Å; W61-H112 AromaticContact CH2-CG 3.85Å; W61-H112 HydrophobicContact CZ2-CB 3.75Å; W61-H112 AromaticContact CZ2-CD2 3.53Å; W61-H112 AromaticContact CZ2-CG 3.93Å; H112-H114 AromaticContact CD2-CE1 3.9Å; H112-H114 AromaticContact CD2-ND1 3.94Å; H112-H114 AromaticContact CE1-CE1 3.02Å; H112-H114 PolarHBondContact CE1-CE1 2.82Å; H112-H114 AromaticContact CE1-ND1 3.32Å; H112-H114 PolarHBondContact CE1-ND1 3.29Å; H112-H114 VanDerWaalsContact CE1-ND1 3.32Å; H112-H114 AromaticContact CE1-NE2 3.82Å; H112-H114 AromaticContact CG-CE1 3.7Å; H112-H114 AromaticContact CG-ND1 3.31Å; H112-H114 VanDerWaalsContact CG-ND1 3.31Å; H112-H114 AromaticContact ND1-CE1 3.16Å; H112-H114 PolarHBondContact ND1-CE1 2.78Å; H112-H114 AromaticContact ND1-CG 3.72Å; H112-H114 AromaticContact ND1-ND1 2.88Å; H112-H114 PolarHBondContact ND1-ND1 3.39Å; H112-H114 AromaticContact NE2-CE1 3.45Å; H112-H114 PolarHBondContact NE2-CE1 3.07Å; H112-H114 AromaticContact NE2-ND1 3.9Å; H112-F120 CarbonylContact O-C 3.49Å; H112-F120 VanDerWaalsContact O-CA 3.27Å; H112-F120 WeakPolarHBondContact O-CA 3Å; H112-E121 PolarHBondContact CD2-O 2.99Å; H112-E121 PolarHBondContact N-O 2.95Å; H112-E121 PolarHBondContact O-N 2.91Å; H112-D150 CarbonylContact C-O 3.44Å; H112-D150 WeakPolarHBondContact CA-O 3.01Å; H112-D150 VanDerWaalsContact CB-O 3.26Å; H112-D150 WeakPolarHBondContact CB-O 3.38Å
113	D	90.5	Very high	89.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.011	25%	0.245	C	C	.	.			trans	-136	18.1	172.7	57.9	-19.1	0	0	0	114	R115 Q116 G118 F120 D150	D113-R115 PolarHBondContact O-N 2.89Å; D113-Q116 CarbonylContact O-C 3.55Å; D113-Q116 PolarHBondContact O-N 2.04Å; D113-Q116 VanDerWaalsContact O-O 3.11Å; D113-G118 PolarHBondContact OD2-N 3.04Å; D113-F120 HydrophobicContact CB-CD1 3.86Å; D113-F120 HydrophobicContact CB-CE1 3.98Å; D113-F120 HydrophobicContact CB-CG 4.19Å; D113-F120 HydrophobicContact CB-CZ 4.4Å; D113-F120 VanDerWaalsContact CG-CE1 3.49Å; D113-F120 VanDerWaalsContact OD2-CZ 3.29Å; D113-F120 WeakPolarHBondContact OD2-CZ 3Å; D113-D150 PolarHBondContact N-O 2.96Å; D113-D150 WeakPolarHBondContact OD1-CA 3.37Å; D113-D150 WeakPolarHBondContact OD1-CB 3.43Å
114	H	85.3	Confident	90.4	Very high	101 Å²	101	46.6 Å²	46.6	47%	0.468	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-14.9	178.2	72.8	-108	0	0	0	117.1	H112 D150	H112-H114 AromaticContact CD2-CE1 3.9Å; H112-H114 AromaticContact CD2-ND1 3.94Å; H112-H114 AromaticContact CE1-CE1 3.02Å; H112-H114 PolarHBondContact CE1-CE1 2.82Å; H112-H114 AromaticContact CE1-ND1 3.32Å; H112-H114 PolarHBondContact CE1-ND1 3.29Å; H112-H114 VanDerWaalsContact CE1-ND1 3.32Å; H112-H114 AromaticContact CE1-NE2 3.82Å; H112-H114 AromaticContact CG-CE1 3.7Å; H112-H114 AromaticContact CG-ND1 3.31Å; H112-H114 VanDerWaalsContact CG-ND1 3.31Å; H112-H114 AromaticContact ND1-CE1 3.16Å; H112-H114 PolarHBondContact ND1-CE1 2.78Å; H112-H114 AromaticContact ND1-CG 3.72Å; H112-H114 AromaticContact ND1-ND1 2.88Å; H112-H114 PolarHBondContact ND1-ND1 3.39Å; H112-H114 AromaticContact NE2-CE1 3.45Å; H112-H114 PolarHBondContact NE2-CE1 3.07Å; H112-H114 AromaticContact NE2-ND1 3.9Å; H114-D150 WeakPolarHBondContact CA-OD2 3.46Å; H114-D150 HydrophobicContact CB-CB 4.1Å
115	R	84.3	Confident	91.7	Very high	174 Å²	174	46.5 Å²	46.5	66%	0.657	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-35	177.3	-62.2	-178	73.1	-149.4	-4.9	111.7	D113 E121	D113-R115 PolarHBondContact O-N 2.89Å; R115-E121 WeakPolarHBondContact CD-OE2 3.29Å; R115-E121 IonicContact CZ-OE2 3.9Å; R115-E121 IonicContact NE-OE2 2.79Å; R115-E121 IonicContact NH1-OE1 2.78Å; R115-E121 PolarHBondContact NH1-OE1 2.77Å; R115-E121 IonicContact NH1-OE2 3.57Å; R115-E121 PolarHBondContact NH1-OE2 3.39Å
116	Q	82.6	Confident	92.5	Very high	127 Å²	127	47.3 Å²	47.3	59%	0.593	25%	0.253	S	S	*	.	S	Bend	trans	-162.3	115.7	-179.9	176.3	166.2	40	0	0	108.8	D113 G118 Q119	D113-Q116 CarbonylContact O-C 3.55Å; D113-Q116 PolarHBondContact O-N 2.04Å; D113-Q116 VanDerWaalsContact O-O 3.11Å; Q116-G118 PolarHBondContact O-N 3.08Å; Q116-Q119 HydrophobicContact CB-CB 4.12Å; Q116-Q119 HydrophobicContact CB-CG 4.22Å; Q116-Q119 HydrophobicContact CG-CB 4.18Å; Q116-Q119 HydrophobicContact CG-CG 3.75Å; Q116-Q119 WeakPolarHBondContact O-CA 3.11Å; Q116-Q119 WeakPolarHBondContact O-CB 3.29Å; Q116-Q119 PolarHBondContact O-N 3.17Å
117	E	83.2	Confident	92.7	Very high	83 Å²	83	49.4 Å²	49.4	39%	0.388	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	131.9	177.2	-176.1	47.5	-127.7	0	0	112.9	Q119	E117-Q119 PolarHBondContact O-N 3.32Å
118	G	82.3	Confident	92.8	Very high	42 Å²	42	53.1 Å²	53.1	43%	0.433	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	5.1	-177.1	0	0	0	0	0	115.2	D113 Q116	D113-G118 PolarHBondContact OD2-N 3.04Å; Q116-G118 PolarHBondContact O-N 3.08Å
119	Q	88.7	Confident	92.7	Very high	113 Å²	113	58 Å²	58	53%	0.528	31%	0.31	S	S	.	.			trans	-111.3	85.5	171.8	-62.1	-63.7	-50.3	0	0	110.5	Q116 E117	Q116-Q119 HydrophobicContact CB-CB 4.12Å; Q116-Q119 HydrophobicContact CB-CG 4.22Å; Q116-Q119 HydrophobicContact CG-CB 4.18Å; Q116-Q119 HydrophobicContact CG-CG 3.75Å; Q116-Q119 WeakPolarHBondContact O-CA 3.11Å; Q116-Q119 WeakPolarHBondContact O-CB 3.29Å; Q116-Q119 PolarHBondContact O-N 3.17Å; E117-Q119 PolarHBondContact O-N 3.32Å
120	F	92.3	Very high	92.6	Very high	21 Å²	21	59.8 Å²	59.8	9%	0.092	32%	0.317	C	S	.	.			trans	-72	134.5	-178.6	-67.2	-83.4	0	0	0	113.4	L111 H112 D113 Y128 W133 P138 V152	L111-F120 HydrophobicContact CD1-CB 3.77Å; L111-F120 HydrophobicContact CD2-CB 4.2Å; L111-F120 HydrophobicContact CD2-CD1 4.04Å; L111-F120 HydrophobicContact CD2-CG 4.25Å; L111-F120 HydrophobicContact CG-CB 3.94Å; L111-F120 HydrophobicContact CG-CD1 3.86Å; L111-F120 HydrophobicContact CG-CG 4.24Å; H112-F120 CarbonylContact O-C 3.49Å; H112-F120 VanDerWaalsContact O-CA 3.27Å; H112-F120 WeakPolarHBondContact O-CA 3Å; D113-F120 HydrophobicContact CB-CD1 3.86Å; D113-F120 HydrophobicContact CB-CE1 3.98Å; D113-F120 HydrophobicContact CB-CG 4.19Å; D113-F120 HydrophobicContact CB-CZ 4.4Å; D113-F120 VanDerWaalsContact CG-CE1 3.49Å; D113-F120 VanDerWaalsContact OD2-CZ 3.29Å; D113-F120 WeakPolarHBondContact OD2-CZ 3Å; F120-Y128 HydrophobicContact CB-CD1 4.16Å; F120-Y128 HydrophobicContact CB-CD2 4.36Å; F120-Y128 HydrophobicContact CB-CE1 4.03Å; F120-Y128 HydrophobicContact CB-CE2 4.22Å; F120-Y128 HydrophobicContact CB-CG 4.31Å; F120-W133 HydrophobicContact CD1-CH2 4.05Å; F120-W133 HydrophobicContact CD1-CZ2 4.03Å; F120-W133 AromaticContact CD2-CZ2 3.95Å; F120-W133 HydrophobicContact CD2-CZ2 3.95Å; F120-W133 AromaticContact CE1-CH2 3.49Å; F120-W133 HydrophobicContact CE1-CH2 3.49Å; F120-W133 VanDerWaalsContact CE1-CH2 3.49Å; F120-W133 AromaticContact CE1-CZ2 3.78Å; F120-W133 HydrophobicContact CE1-CZ2 3.78Å; F120-W133 HydrophobicContact CE2-CH2 4.13Å; F120-W133 AromaticContact CE2-CZ2 3.71Å; F120-W133 HydrophobicContact CE2-CZ2 3.71Å; F120-W133 HydrophobicContact CG-CZ2 4.11Å; F120-W133 AromaticContact CZ-CH2 3.54Å; F120-W133 HydrophobicContact CZ-CH2 3.54Å; F120-W133 AromaticContact CZ-CZ2 3.62Å; F120-W133 HydrophobicContact CZ-CZ2 3.62Å; F120-P138 HydrophobicContact CE2-CB 4.29Å; F120-P138 HydrophobicContact CE2-CG 3.84Å; F120-P138 HydrophobicContact CZ-CB 3.87Å; F120-P138 HydrophobicContact CZ-CG 3.95Å; F120-V152 HydrophobicContact CD1-CG2 4.09Å; F120-V152 HydrophobicContact CE1-CG2 3.85Å
121	E	96.3	Very high	92.3	Very high	75 Å²	75	62.6 Å²	62.6	35%	0.35	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147	177.6	-62.4	-175.6	166.3	0	0	110.2	L111 H112 R115	L111-E121 WeakPolarHBondContact CA-O 3.32Å; H112-E121 PolarHBondContact CD2-O 2.99Å; H112-E121 PolarHBondContact N-O 2.95Å; H112-E121 PolarHBondContact O-N 2.91Å; R115-E121 WeakPolarHBondContact CD-OE2 3.29Å; R115-E121 IonicContact CZ-OE2 3.9Å; R115-E121 IonicContact NE-OE2 2.79Å; R115-E121 IonicContact NH1-OE1 2.78Å; R115-E121 PolarHBondContact NH1-OE1 2.77Å; R115-E121 IonicContact NH1-OE2 3.57Å; R115-E121 PolarHBondContact NH1-OE2 3.39Å
122	W	97.9	Very high	92	Very high	8 Å²	8	65.2 Å²	65.2	3%	0.03	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.9	172.6	-68.1	113.1	0	0	0	111	A81 S82 I83 H84 G110 L111 D124 G125 S126 W165	A81-W122 WeakPolarHBondContact O-CZ3 3.27Å; S82-W122 VanDerWaalsContact CA-CZ3 3.49Å; I83-W122 HydrophobicContact CB-CH2 3.97Å; I83-W122 HydrophobicContact CB-CZ2 4.13Å; I83-W122 HydrophobicContact CG1-CH2 4.17Å; I83-W122 VanDerWaalsContact N-CH2 3.35Å; I83-W122 VanDerWaalsContact N-CZ2 3.25Å; I83-W122 VanDerWaalsContact O-CZ2 3.3Å; I83-W122 WeakPolarHBondContact O-CZ2 3Å; H84-W122 AromaticContact CE1-CD1 3.93Å; H84-W122 AromaticContact CE1-NE1 3.78Å; G110-W122 WeakPolarHBondContact O-CA 3.28Å; L111-W122 HydrophobicContact CB-CD2 4.2Å; L111-W122 HydrophobicContact CB-CE3 3.65Å; L111-W122 HydrophobicContact CB-CH2 3.72Å; L111-W122 HydrophobicContact CB-CZ2 4.26Å; L111-W122 HydrophobicContact CB-CZ3 3.4Å; L111-W122 HydrophobicContact CD1-CD2 3.66Å; L111-W122 HydrophobicContact CD1-CE3 4.01Å; L111-W122 HydrophobicContact CD1-CG 4.1Å; L111-W122 HydrophobicContact CD1-CH2 4.28Å; L111-W122 HydrophobicContact CD1-CZ2 3.96Å; L111-W122 HydrophobicContact CD1-CZ3 4.31Å; L111-W122 HydrophobicContact CD2-CH2 4.42Å; L111-W122 HydrophobicContact CD2-CZ2 4.43Å; L111-W122 HydrophobicContact CG-CE3 4.46Å; L111-W122 HydrophobicContact CG-CH2 4.38Å; L111-W122 HydrophobicContact CG-CZ2 4.48Å; L111-W122 HydrophobicContact CG-CZ3 4.39Å; W122-D124 VanDerWaalsContact CB-OD1 3.27Å; W122-D124 WeakPolarHBondContact CB-OD1 3.35Å; W122-D124 PolarHBondContact O-N 2.94Å; W122-D124 VanDerWaalsContact O-N 3.11Å; W122-G125 PolarHBondContact O-N 2.86Å; W122-S126 WeakPolarHBondContact CB-OG 3.49Å; W122-S126 VanDerWaalsContact CD1-OG 3.32Å; W122-W165 HydrophobicContact CH2-CH2 4.13Å; W122-W165 AromaticContact CZ2-CH2 3.95Å; W122-W165 HydrophobicContact CZ2-CH2 3.95Å; W122-W165 HydrophobicContact CZ2-CZ3 4.42Å
123	T	97.5	Very high	91.7	Very high	28 Å²	28	66.9 Å²	66.9	17%	0.172	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.7	178.5	58.7	0	0	0	0	115.2	W61 D65 G110 G125	W61-T123 HydrophobicContact CH2-CG2 3.17Å; W61-T123 HydrophobicContact CZ2-CG2 3.2Å; W61-T123 HydrophobicContact CZ3-CG2 4.28Å; D65-T123 WeakPolarHBondContact OD1-CB 3.16Å; D65-T123 PolarHBondContact OD1-OG1 2.93Å; G110-T123 WeakPolarHBondContact O-CG2 3.42Å; G110-T123 PolarHBondContact O-N 3.04Å; T123-G125 VanDerWaalsContact C-N 3.32Å
124	D	96.8	Very high	91.4	Very high	63 Å²	63	67.2 Å²	67.2	34%	0.337	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.4	175.7	71.4	-4.3	0	0	0	113.6	K79 S82 W122 S126	K79-D124 HydrophobicContact CB-CB 3.91Å; K79-D124 HydrophobicContact CG-CB 4.05Å; S82-D124 WeakPolarHBondContact CB-OD2 3.45Å; S82-D124 PolarHBondContact OG-OD2 3.34Å; W122-D124 VanDerWaalsContact CB-OD1 3.27Å; W122-D124 WeakPolarHBondContact CB-OD1 3.35Å; W122-D124 PolarHBondContact O-N 2.94Å; W122-D124 VanDerWaalsContact O-N 3.11Å; D124-S126 VanDerWaalsContact C-N 3.27Å; D124-S126 PolarHBondContact O-N 2.87Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 3.01Å; D124-S126 PolarHBondContact OD1-OG 3.12Å
125	G	96.5	Very high	91.1	Very high	71 Å²	71	65 Å²	65	73%	0.732	36%	0.359	S	S	*	.			trans	75	11.5	-179.5	0	0	0	0	0	114.4	W122 T123	W122-G125 PolarHBondContact O-N 2.86Å; T123-G125 VanDerWaalsContact C-N 3.32Å
126	S	97.2	Very high	90.6	Very high	36 Å²	36	62.1 Å²	62.1	25%	0.252	37%	0.366	S	S	.	.			trans	-68.9	161.5	171.7	63.3	0	0	0	0	111.8	S82 H84 W122 D124	S82-S126 WeakPolarHBondContact CB-OG 3.5Å; H84-S126 PolarHBondContact CE1-OG 2.96Å; H84-S126 PolarHBondContact NE2-OG 2.89Å; W122-S126 WeakPolarHBondContact CB-OG 3.49Å; W122-S126 VanDerWaalsContact CD1-OG 3.32Å; D124-S126 VanDerWaalsContact C-N 3.27Å; D124-S126 PolarHBondContact O-N 2.87Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 3.01Å; D124-S126 PolarHBondContact OD1-OG 3.12Å
127	S	96.5	Very high	90.1	Very high	76 Å²	76	57.4 Å²	57.4	53%	0.531	34%	0.343	S	S	.	.			trans	-68.7	140.4	179.1	45.3	0	0	0	0	111.9	H84 D129	H84-S127 PolarHBondContact CE1-O 2.81Å; H84-S127 VanDerWaalsContact CE1-O 3.29Å; H84-S127 PolarHBondContact ND1-O 2.61Å; S127-D129 PolarHBondContact O-N 3.32Å; S127-D129 VanDerWaalsContact O-N 3.16Å
128	Y	95.6	Very high	89.4	Confident	82 Å²	82	56 Å²	56	32%	0.322	34%	0.342	S	S	.	.			trans	-80.2	87.2	165.9	-176.2	-122.5	0	0	0	110.1	L111 F120 Y130 S131 W133 W165	L111-Y128 HydrophobicContact CD1-CD2 3.54Å; L111-Y128 HydrophobicContact CD1-CE2 3.77Å; L111-Y128 HydrophobicContact CD1-CG 4.4Å; L111-Y128 HydrophobicContact CD2-CD2 4.2Å; L111-Y128 HydrophobicContact CD2-CE2 3.53Å; L111-Y128 HydrophobicContact CG-CE2 4.31Å; F120-Y128 HydrophobicContact CB-CD1 4.16Å; F120-Y128 HydrophobicContact CB-CD2 4.36Å; F120-Y128 HydrophobicContact CB-CE1 4.03Å; F120-Y128 HydrophobicContact CB-CE2 4.22Å; F120-Y128 HydrophobicContact CB-CG 4.31Å; Y128-Y130 WeakPolarHBondContact CE2-O 3.05Å; Y128-S131 VanDerWaalsContact OH-CB 3.25Å; Y128-S131 WeakPolarHBondContact OH-CB 3.44Å; Y128-W133 PolarHBondContact OH-NE1 2.65Å; Y128-W165 HydrophobicContact CE2-CZ3 4.21Å
129	D	95.8	Very high	88.6	Confident	102 Å²	102	56.6 Å²	56.6	55%	0.545	34%	0.335	S	S	.	.			trans	-117.3	-4.9	-173.5	59.2	-5.6	0	0	0	114	H84 S127	H84-D129 IonicContact CE1-OD1 3.92Å; H84-D129 IonicContact CG-OD1 3.73Å; H84-D129 IonicContact ND1-OD1 2.69Å; H84-D129 PolarHBondContact ND1-OD1 2.88Å; H84-D129 IonicContact ND1-OD2 2.89Å; S127-D129 PolarHBondContact O-N 3.32Å; S127-D129 VanDerWaalsContact O-N 3.16Å
130	Y	95.6	Very high	87.3	Confident	41 Å²	41	55 Å²	55	16%	0.161	33%	0.33	C	S	.	.			trans	-139.4	141.9	178.8	177.3	-100.3	0	0	0	109.9	I83 H84 W86 N89 Y128 Y132 W165	I83-Y130 HydrophobicContact CG2-CD1 3.95Å; I83-Y130 HydrophobicContact CG2-CE1 3.98Å; H84-Y130 VanDerWaalsContact C-CB 3.48Å; W86-Y130 VanDerWaalsContact CA-OH 3.31Å; W86-Y130 WeakPolarHBondContact CA-OH 3.37Å; W86-Y130 HydrophobicContact CB-CE2 4.41Å; N89-Y130 HydrophobicContact CB-CE1 4.37Å; Y128-Y130 WeakPolarHBondContact CE2-O 3.05Å; Y130-Y132 WeakPolarHBondContact OH-CB 3.4Å; Y130-Y132 WeakPolarHBondContact OH-CD2 3.34Å; Y130-W165 AromaticContact CD1-CH2 3.74Å; Y130-W165 HydrophobicContact CD1-CH2 3.74Å; Y130-W165 AromaticContact CD1-CZ2 3.84Å; Y130-W165 HydrophobicContact CD1-CZ2 3.84Å; Y130-W165 HydrophobicContact CE1-CH2 4.11Å; Y130-W165 AromaticContact CE1-CZ2 3.78Å; Y130-W165 HydrophobicContact CE1-CZ2 3.78Å; Y130-W165 WeakPolarHBondContact O-CH2 3.05Å
131	S	92.4	Very high	85.3	Confident	59 Å²	59	55.2 Å²	55.2	41%	0.413	34%	0.338	S	S	.	.			trans	-141.7	147.7	172.2	64.2	0	0	0	0	111.4	Y128 W165	Y128-S131 VanDerWaalsContact OH-CB 3.25Å; Y128-S131 WeakPolarHBondContact OH-CB 3.44Å; S131-W165 VanDerWaalsContact CA-CZ3 3.48Å
132	Y	90.5	Very high	83.1	Confident	55 Å²	55	56.3 Å²	56.3	22%	0.216	35%	0.35	C	S	.	.			trans	-144.5	52	179.6	-161	-104.1	0	0	0	111.4	W86 Y130 L162 S164 W165	W86-Y132 HydrophobicContact CE3-CD2 4.27Å; W86-Y132 AromaticContact CE3-CE2 3.9Å; W86-Y132 HydrophobicContact CE3-CE2 3.9Å; W86-Y132 HydrophobicContact CZ3-CD1 4.49Å; W86-Y132 HydrophobicContact CZ3-CD2 4.4Å; W86-Y132 AromaticContact CZ3-CE1 3.91Å; W86-Y132 HydrophobicContact CZ3-CE1 3.91Å; W86-Y132 AromaticContact CZ3-CE2 3.7Å; W86-Y132 HydrophobicContact CZ3-CE2 3.7Å; W86-Y132 AromaticContact CZ3-CZ 3.43Å; W86-Y132 VanDerWaalsContact CZ3-CZ 3.43Å; W86-Y132 WeakPolarHBondContact CZ3-OH 3.24Å; Y130-Y132 WeakPolarHBondContact OH-CB 3.4Å; Y130-Y132 WeakPolarHBondContact OH-CD2 3.34Å; Y132-L162 HydrophobicContact CE1-CB 4.28Å; Y132-L162 WeakPolarHBondContact CE1-O 3.48Å; Y132-S164 CarbonylContact O-C 3.47Å; Y132-S164 WeakPolarHBondContact O-CA 3.28Å; Y132-S164 WeakPolarHBondContact O-CB 3.21Å; Y132-W165 PolarHBondContact O-N 3.49Å
133	W	89	Confident	80.7	Confident	45 Å²	45	63.6 Å²	63.6	17%	0.17	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-59.9	147.2	178.3	-61.6	112.4	0	0	0	112.7	L111 F120 Y128 Q137 P138 V152 W165 D167	L111-W133 HydrophobicContact CD2-CH2 4.19Å; L111-W133 HydrophobicContact CD2-CZ2 3.95Å; F120-W133 HydrophobicContact CD1-CH2 4.05Å; F120-W133 HydrophobicContact CD1-CZ2 4.03Å; F120-W133 AromaticContact CD2-CZ2 3.95Å; F120-W133 HydrophobicContact CD2-CZ2 3.95Å; F120-W133 AromaticContact CE1-CH2 3.49Å; F120-W133 HydrophobicContact CE1-CH2 3.49Å; F120-W133 VanDerWaalsContact CE1-CH2 3.49Å; F120-W133 AromaticContact CE1-CZ2 3.78Å; F120-W133 HydrophobicContact CE1-CZ2 3.78Å; F120-W133 HydrophobicContact CE2-CH2 4.13Å; F120-W133 AromaticContact CE2-CZ2 3.71Å; F120-W133 HydrophobicContact CE2-CZ2 3.71Å; F120-W133 HydrophobicContact CG-CZ2 4.11Å; F120-W133 AromaticContact CZ-CH2 3.54Å; F120-W133 HydrophobicContact CZ-CH2 3.54Å; F120-W133 AromaticContact CZ-CZ2 3.62Å; F120-W133 HydrophobicContact CZ-CZ2 3.62Å; Y128-W133 PolarHBondContact OH-NE1 2.65Å; W133-Q137 HydrophobicContact CB-CB 4.21Å; W133-Q137 WeakPolarHBondContact CB-O 3.41Å; W133-Q137 HydrophobicContact CE3-CB 4.18Å; W133-P138 HydrophobicContact CD2-CB 4.46Å; W133-P138 HydrophobicContact CD2-CG 4.36Å; W133-P138 HydrophobicContact CE3-CB 4.2Å; W133-P138 HydrophobicContact CH2-CB 4.06Å; W133-P138 HydrophobicContact CH2-CG 4.42Å; W133-P138 HydrophobicContact CZ2-CB 4.33Å; W133-P138 HydrophobicContact CZ2-CG 4.2Å; W133-P138 HydrophobicContact CZ3-CB 4Å; W133-V152 HydrophobicContact CH2-CB 4.45Å; W133-V152 HydrophobicContact CH2-CG1 4Å; W133-V152 HydrophobicContact CH2-CG2 3.54Å; W133-V152 HydrophobicContact CZ3-CG1 3.88Å; W133-V152 HydrophobicContact CZ3-CG2 4.06Å; W133-W165 HydrophobicContact CD2-CB 4.35Å; W133-W165 HydrophobicContact CD2-CE3 4.39Å; W133-W165 HydrophobicContact CE3-CB 3.73Å; W133-W165 HydrophobicContact CZ2-CE3 4.49Å; W133-W165 HydrophobicContact CZ3-CB 4.05Å; W133-D167 HydrophobicContact CZ3-CB 4.21Å
134	D	83.1	Confident	78.2	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.053	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-69	163.9	169.7	-162.9	80.8	0	0	0	110.8	S136 Q137 W155 R157 S164 W165	D134-S136 PolarHBondContact O-N 3.16Å; D134-S136 VanDerWaalsContact O-N 3.12Å; D134-Q137 HydrophobicContact CB-CB 4.45Å; D134-Q137 HydrophobicContact CB-CG 3.98Å; D134-Q137 WeakPolarHBondContact O-CB 3.43Å; D134-Q137 PolarHBondContact O-N 3.47Å; D134-W155 HydrophobicContact CB-CE3 4.32Å; D134-R157 VanDerWaalsContact CG-CZ 3.45Å; D134-R157 VanDerWaalsContact CG-NH1 3.29Å; D134-R157 IonicContact OD1-CZ 3.68Å; D134-R157 IonicContact OD1-NH1 3.32Å; D134-R157 PolarHBondContact OD1-NH1 2.97Å; D134-R157 IonicContact OD2-CZ 2.92Å; D134-R157 IonicContact OD2-NE 3.89Å; D134-R157 IonicContact OD2-NH1 2.65Å; D134-R157 PolarHBondContact OD2-NH1 2.83Å; D134-R157 IonicContact OD2-NH2 2.81Å; D134-R157 PolarHBondContact OD2-NH2 3.5Å; D134-S164 VanDerWaalsContact CA-CB 3.45Å; D134-S164 PolarHBondContact OD1-OG 3.33Å; D134-W165 PolarHBondContact N-O 3Å
135	G	78.1	Confident	75.9	Confident	55 Å²	55	69.5 Å²	69.5	57%	0.567	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	122.2	179.1	0	0	0	0	0	110.7
136	S	75.3	Confident	73.8	Confident	113 Å²	113	72 Å²	72	79%	0.79	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	11.4	-176.8	-22	0	0	0	0	115.3	D134 D139	D134-S136 PolarHBondContact O-N 3.16Å; D134-S136 VanDerWaalsContact O-N 3.12Å; S136-D139 VanDerWaalsContact O-CB 3.27Å; S136-D139 WeakPolarHBondContact O-CB 3.36Å
137	Q	72.1	Confident	71.9	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.126	44%	0.443	C	S	.	.			trans	-105.7	158.7	173.1	-61.3	-76.9	-69	0	0	110.8	W133 D134 D139 N166 D167	W133-Q137 HydrophobicContact CB-CB 4.21Å; W133-Q137 WeakPolarHBondContact CB-O 3.41Å; W133-Q137 HydrophobicContact CE3-CB 4.18Å; D134-Q137 HydrophobicContact CB-CB 4.45Å; D134-Q137 HydrophobicContact CB-CG 3.98Å; D134-Q137 WeakPolarHBondContact O-CB 3.43Å; D134-Q137 PolarHBondContact O-N 3.47Å; Q137-D139 PolarHBondContact NE2-OD1 3.06Å; Q137-D139 PolarHBondContact NE2-OD2 3.44Å; Q137-N166 PolarHBondContact OE1-OD1 3.38Å; Q137-D167 PolarHBondContact OE1-OD1 3.28Å
138	P	68.9	Low	70.6	Confident	54 Å²	54	77.9 Å²	77.9	35%	0.351	45%	0.447	S	S	.	.			cis	-65.8	140.1	-10.9	30.7	-32.6	0	0	0	110	F120 W133 D167	F120-P138 HydrophobicContact CE2-CB 4.29Å; F120-P138 HydrophobicContact CE2-CG 3.84Å; F120-P138 HydrophobicContact CZ-CB 3.87Å; F120-P138 HydrophobicContact CZ-CG 3.95Å; W133-P138 HydrophobicContact CD2-CB 4.46Å; W133-P138 HydrophobicContact CD2-CG 4.36Å; W133-P138 HydrophobicContact CE3-CB 4.2Å; W133-P138 HydrophobicContact CH2-CB 4.06Å; W133-P138 HydrophobicContact CH2-CG 4.42Å; W133-P138 HydrophobicContact CZ2-CB 4.33Å; W133-P138 HydrophobicContact CZ2-CG 4.2Å; W133-P138 HydrophobicContact CZ3-CB 4Å; P138-D167 WeakPolarHBondContact CA-OD1 2.91Å; P138-D167 HydrophobicContact CB-CB 4.23Å; P138-D167 WeakPolarHBondContact CB-OD1 3.35Å
139	D	65.5	Low	69.5	Low	54 Å²	54	75.4 Å²	75.4	29%	0.289	44%	0.438	S	S	.	.			trans	-112.8	5.1	-177.2	84	-23.7	0	0	0	114.3	S136 Q137 G141 V142 D167	S136-D139 VanDerWaalsContact O-CB 3.27Å; S136-D139 WeakPolarHBondContact O-CB 3.36Å; Q137-D139 PolarHBondContact NE2-OD1 3.06Å; Q137-D139 PolarHBondContact NE2-OD2 3.44Å; D139-G141 PolarHBondContact O-N 3.36Å; D139-G141 PolarHBondContact OD1-N 3.23Å; D139-V142 HydrophobicContact CB-CG2 3.88Å; D139-V142 WeakPolarHBondContact O-CG2 3.3Å; D139-V142 PolarHBondContact O-N 2.86Å; D139-D167 PolarHBondContact N-OD1 2.92Å; D139-D167 PolarHBondContact N-OD2 2.89Å
140	D	59.7	Low	69.1	Low	81 Å²	81	71.5 Å²	71.5	43%	0.433	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	28.6	175.5	-175.5	22	0	0	0	110.8	V142 D167	D140-V142 PolarHBondContact O-N 3.45Å; D140-D167 PolarHBondContact N-OD2 2.87Å
141	G	51.4	Low	69	Low	25 Å²	25	69.6 Å²	69.6	26%	0.258	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.1	69.4	-167.2	0	0	0	0	0	112.9	D139 H143	D139-G141 PolarHBondContact O-N 3.36Å; D139-G141 PolarHBondContact OD1-N 3.23Å; G141-H143 CarbonylContact O-C 3.57Å; G141-H143 PolarHBondContact O-N 3.27Å
142	V	50	Low	69.1	Low	98 Å²	98	66.8 Å²	66.8	59%	0.594	39%	0.39	S	S	*	.	S	Bend	trans	-39.8	-7.3	-179.2	-176	0	0	0	0	116.4	D139 D140	D139-V142 HydrophobicContact CB-CG2 3.88Å; D139-V142 WeakPolarHBondContact O-CG2 3.3Å; D139-V142 PolarHBondContact O-N 2.86Å; D140-V142 PolarHBondContact O-N 3.45Å
143	H	46.4	Very low	69.2	Low	161 Å²	161	64.2 Å²	64.2	75%	0.745	38%	0.38	S	S	*	.	S	Bend	trans	-128.8	92.1	178.4	-56	-43.2	0	0	0	114.3	G141 D145	G141-H143 CarbonylContact O-C 3.57Å; G141-H143 PolarHBondContact O-N 3.27Å; H143-D145 PolarHBondContact O-N 3.26Å
144	A	44.9	Very low	69.4	Low	104 Å²	104	62.2 Å²	62.2	86%	0.86	37%	0.373	S	S	*	.			trans	71	26.3	131.9	0	0	0	0	0	119.7
145	D	48.9	Very low	69.6	Low	110 Å²	110	65 Å²	65	59%	0.588	38%	0.383	S	S	*	.			trans	-111.1	132.8	165.1	-127.2	-41	0	0	0	110.1	H143 E147	H143-D145 PolarHBondContact O-N 3.26Å; D145-E147 PolarHBondContact O-N 3.42Å
146	P	53.2	Low	69.8	Low	123 Å²	123	65.3 Å²	65.3	80%	0.799	37%	0.367	S	S	*	.	S	Bend	trans	-69.8	3.3	170.8	28.1	-36.7	0	0	0	114.1
147	E	56.3	Low	69.9	Low	104 Å²	104	63.7 Å²	63.7	49%	0.486	34%	0.344	S	S	.	.	S	Bend	trans	-95.9	96.6	171.8	-63.8	-169.9	-172.9	0	0	108.7	D145 I169	D145-E147 PolarHBondContact O-N 3.42Å; E147-I169 HydrophobicContact CB-CG2 4.07Å; E147-I169 WeakPolarHBondContact OE2-CG2 3.07Å
148	E	69	Low	69.8	Low	133 Å²	133	67.5 Å²	67.5	62%	0.621	37%	0.371	S	S	*	.			trans	-58.1	136.8	179.3	-57.7	172.1	163.1	0	0	110.4	D150	E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 WeakPolarHBondContact CB-OD1 3.36Å; E148-D150 PolarHBondContact O-N 2.81Å; E148-D150 VanDerWaalsContact O-N 3.1Å
149	E	74.2	Confident	70	Confident	30 Å²	30	71.7 Å²	71.7	14%	0.14	40%	0.395	C	S	.	.			trans	-83.6	44.5	-172.4	-72.6	-151.7	126.7	0	0	113.4	C151 D167 N168 I169	E149-C151 PolarHBondContact O-N 3.09Å; E149-D167 CarbonylContact O-C 3.24Å; E149-D167 VanDerWaalsContact O-CB 3.29Å; E149-D167 WeakPolarHBondContact O-CB 3.46Å; E149-N168 CarbonylContact C-O 3.56Å; E149-N168 PolarHBondContact O-N 2.92Å; E149-I169 HydrophobicContact CG-CG1 3.78Å
150	D	86.3	Confident	70.2	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.102	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-73.1	3.8	-162.7	-45.9	-17.8	0	0	0	117.4	H112 D113 H114 E148	H112-D150 CarbonylContact C-O 3.44Å; H112-D150 WeakPolarHBondContact CA-O 3.01Å; H112-D150 VanDerWaalsContact CB-O 3.26Å; H112-D150 WeakPolarHBondContact CB-O 3.38Å; D113-D150 PolarHBondContact N-O 2.96Å; D113-D150 WeakPolarHBondContact OD1-CA 3.37Å; D113-D150 WeakPolarHBondContact OD1-CB 3.43Å; H114-D150 WeakPolarHBondContact CA-OD2 3.46Å; H114-D150 HydrophobicContact CB-CB 4.1Å; E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 WeakPolarHBondContact CB-OD1 3.36Å; E148-D150 PolarHBondContact O-N 2.81Å; E148-D150 VanDerWaalsContact O-N 3.1Å
151	C	93.8	Very high	70.6	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.2	-170.7	-72	0	0	0	0	112.3	W61 W108 E149 N168 C170	W61-C151 HydrophobicContact CB-CB 3.97Å; W61-C151 VanDerWaalsContact CB-SG 3.54Å; W61-C151 HydrophobicContact CD2-CB 4.37Å; W61-C151 HydrophobicContact CG-CB 3.76Å; W108-C151 HydrophobicContact CE3-CB 4.49Å; W108-C151 HydrophobicContact CH2-CB 4.09Å; W108-C151 HydrophobicContact CZ3-CB 3.92Å; W108-C151 WeakPolarHBondContact CZ3-O 3.44Å; E149-C151 PolarHBondContact O-N 3.09Å; C151-N168 PolarHBondContact N-O 3.42Å; C151-N168 PolarHBondContact O-N 2.85Å; C151-C170 HydrophobicContact CB-CB 3.88Å; C151-C170 WeakPolarHBondContact CB-SG 3.44Å; C151-C170 VanDerWaalsContact SG-CA 3.6Å; C151-C170 WeakPolarHBondContact SG-CB 3.41Å; C151-C170 CovalentContact SG-SG 2.03Å; C151-C170 PolarHBondContact SG-SG 3.19Å
152	V	94.1	Very high	71.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.7	-168.2	-175.8	0	0	0	0	112.5	T109 L111 F120 W133 W165 N166	T109-V152 PolarHBondContact N-O 3.2Å; T109-V152 PolarHBondContact OG1-O 3.08Å; L111-V152 HydrophobicContact CB-CB 3.81Å; L111-V152 HydrophobicContact CB-CG1 4.36Å; L111-V152 HydrophobicContact CB-CG2 3.84Å; L111-V152 HydrophobicContact CD2-CB 4.41Å; L111-V152 HydrophobicContact CD2-CG1 4.33Å; L111-V152 HydrophobicContact CD2-CG2 3.99Å; L111-V152 HydrophobicContact CG-CB 4.45Å; L111-V152 HydrophobicContact CG-CG2 3.98Å; L111-V152 WeakPolarHBondContact O-CB 3.33Å; L111-V152 WeakPolarHBondContact O-CG2 3.04Å; L111-V152 PolarHBondContact O-N 2.56Å; L111-V152 VanDerWaalsContact O-N 3.07Å; F120-V152 HydrophobicContact CD1-CG2 4.09Å; F120-V152 HydrophobicContact CE1-CG2 3.85Å; W133-V152 HydrophobicContact CH2-CB 4.45Å; W133-V152 HydrophobicContact CH2-CG1 4Å; W133-V152 HydrophobicContact CH2-CG2 3.54Å; W133-V152 HydrophobicContact CZ3-CG1 3.88Å; W133-V152 HydrophobicContact CZ3-CG2 4.06Å; V152-W165 HydrophobicContact CG1-CB 3.75Å; V152-W165 HydrophobicContact CG1-CD2 4.44Å; V152-W165 HydrophobicContact CG1-CE3 4.42Å; V152-W165 HydrophobicContact CG1-CG 4.18Å; V152-N166 WeakPolarHBondContact CA-O 3.42Å
153	Q	93.8	Very high	72.7	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.1	172.4	60	177	27	0	0	112.1	D106 V107 W108 W155 W165 N166 N168 F174	D106-Q153 VanDerWaalsContact CB-OE1 3.28Å; D106-Q153 PolarHBondContact OD2-NE2 3.01Å; V107-Q153 CarbonylContact O-C 3.54Å; V107-Q153 WeakPolarHBondContact O-CA 3.4Å; V107-Q153 WeakPolarHBondContact O-CB 3.44Å; W108-Q153 HydrophobicContact CE3-CB 3.77Å; W108-Q153 HydrophobicContact CZ3-CB 3.9Å; W108-Q153 HydrophobicContact CZ3-CG 4.41Å; Q153-W155 PolarHBondContact O-N 2.98Å; Q153-W165 VanDerWaalsContact O-CA 3.28Å; Q153-W165 WeakPolarHBondContact O-CA 3.41Å; Q153-N166 HydrophobicContact CG-CB 4.1Å; Q153-N166 WeakPolarHBondContact CG-O 3.38Å; Q153-N166 PolarHBondContact N-O 3.14Å; Q153-N166 PolarHBondContact O-N 2.98Å; Q153-N168 HydrophobicContact CG-CB 4.47Å; Q153-N168 PolarHBondContact NE2-ND2 2.86Å; Q153-F174 VanDerWaalsContact OE1-CZ 3.3Å
154	I	92.7	Very high	74.7	Confident	4 Å²	4	64 Å²	64	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	116.3	154.9	-63.1	172.5	0	0	0	106.3	I83 V92 Y93 V107 T109 R163	I83-I154 HydrophobicContact CD1-CD1 3.95Å; I83-I154 HydrophobicContact CD1-CG1 4.39Å; V92-I154 HydrophobicContact CB-CD1 4.25Å; V92-I154 HydrophobicContact CG1-CD1 3.61Å; Y93-I154 HydrophobicContact CD2-CG2 4.1Å; V107-I154 PolarHBondContact N-O 3.04Å; V107-I154 VanDerWaalsContact N-O 3.14Å; V107-I154 PolarHBondContact O-N 3.3Å; T109-I154 HydrophobicContact CG2-CD1 4.21Å; T109-I154 HydrophobicContact CG2-CG1 3.74Å; I154-R163 HydrophobicContact CG2-CB 4.43Å
155	W	86.3	Confident	77	Confident	69 Å²	69	59 Å²	59	26%	0.261	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-87.2	123.3	-174.4	-171.4	18	0	0	0	111	D106 D134 Q153 R157 S164 N166	D106-W155 VanDerWaalsContact OD1-CD1 3.29Å; D134-W155 HydrophobicContact CB-CE3 4.32Å; Q153-W155 PolarHBondContact O-N 2.98Å; W155-R157 HydrophobicContact CD2-CG 3.98Å; W155-R157 HydrophobicContact CE3-CG 4.43Å; W155-R157 VanDerWaalsContact CE3-NE 3.28Å; W155-R157 HydrophobicContact CG-CG 4.32Å; W155-R157 VanDerWaalsContact CH2-NE 3.33Å; W155-R157 HydrophobicContact CZ2-CG 4.4Å; W155-R157 PolarHBondContact O-N 3.19Å; W155-S164 PolarHBondContact N-O 3.18Å; W155-N166 HydrophobicContact CB-CB 3.91Å; W155-N166 HydrophobicContact CD2-CB 4.09Å; W155-N166 HydrophobicContact CE3-CB 3.79Å; W155-N166 HydrophobicContact CG-CB 4.15Å; W155-N166 HydrophobicContact CZ3-CB 4.43Å; W155-N166 WeakPolarHBondContact CZ3-OD1 3.31Å
156	Y	82.9	Confident	78.9	Confident	61 Å²	61	54.3 Å²	54.3	24%	0.239	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-79.4	121	170.7	178.2	-86.9	0	0	0	110.3	P104 D106 P158	P104-Y156 HydrophobicContact CB-CD1 3.42Å; P104-Y156 VanDerWaalsContact CB-CD1 3.42Å; P104-Y156 HydrophobicContact CB-CD2 4.41Å; P104-Y156 HydrophobicContact CB-CE1 3.31Å; P104-Y156 HydrophobicContact CB-CE2 4.34Å; P104-Y156 HydrophobicContact CB-CG 3.98Å; P104-Y156 HydrophobicContact CG-CD1 4.12Å; P104-Y156 HydrophobicContact CG-CE1 3.46Å; P104-Y156 VanDerWaalsContact CG-CE1 3.46Å; P104-Y156 HydrophobicContact CG-CE2 4.45Å; D106-Y156 WeakPolarHBondContact OD1-CB 3.36Å; D106-Y156 PolarHBondContact OD1-N 3Å; Y156-P158 HydrophobicContact CD1-CG 4.48Å; Y156-P158 HydrophobicContact CE1-CB 4.27Å; Y156-P158 HydrophobicContact CE1-CG 3.76Å
157	R	76.8	Confident	80.4	Confident	79 Å²	79	48.6 Å²	48.6	30%	0.298	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-123	119.5	170.8	-78.1	-173.4	172.2	-176.3	4.5	110.2	D134 W155 T159 S160	D134-R157 VanDerWaalsContact CG-CZ 3.45Å; D134-R157 VanDerWaalsContact CG-NH1 3.29Å; D134-R157 IonicContact OD1-CZ 3.68Å; D134-R157 IonicContact OD1-NH1 3.32Å; D134-R157 PolarHBondContact OD1-NH1 2.97Å; D134-R157 IonicContact OD2-CZ 2.92Å; D134-R157 IonicContact OD2-NE 3.89Å; D134-R157 IonicContact OD2-NH1 2.65Å; D134-R157 PolarHBondContact OD2-NH1 2.83Å; D134-R157 IonicContact OD2-NH2 2.81Å; D134-R157 PolarHBondContact OD2-NH2 3.5Å; W155-R157 HydrophobicContact CD2-CG 3.98Å; W155-R157 HydrophobicContact CE3-CG 4.43Å; W155-R157 VanDerWaalsContact CE3-NE 3.28Å; W155-R157 HydrophobicContact CG-CG 4.32Å; W155-R157 VanDerWaalsContact CH2-NE 3.33Å; W155-R157 HydrophobicContact CZ2-CG 4.4Å; W155-R157 PolarHBondContact O-N 3.19Å; R157-T159 PolarHBondContact O-N 2.99Å; R157-S160 PolarHBondContact O-N 3.31Å; R157-S160 VanDerWaalsContact O-N 3.09Å; R157-S160 VanDerWaalsContact O-O 3.06Å
158	P	71.4	Confident	81.9	Confident	107 Å²	107	43.8 Å²	43.8	70%	0.695	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.9	179.8	-20.2	24.4	0	0	0	114	Y156	Y156-P158 HydrophobicContact CD1-CG 4.48Å; Y156-P158 HydrophobicContact CE1-CB 4.27Å; Y156-P158 HydrophobicContact CE1-CG 3.76Å
159	T	71.8	Confident	82.9	Confident	141 Å²	141	38.5 Å²	38.5	87%	0.865	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.2	-175.1	53.5	0	0	0	0	113.7	R157	R157-T159 PolarHBondContact O-N 2.99Å
160	S	69.6	Low	83.7	Confident	24 Å²	24	38.8 Å²	38.8	17%	0.168	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-124.3	118.2	-177.8	-178.4	0	0	0	0	110.5	R157 L162	R157-S160 PolarHBondContact O-N 3.31Å; R157-S160 VanDerWaalsContact O-N 3.09Å; R157-S160 VanDerWaalsContact O-O 3.06Å; S160-L162 PolarHBondContact O-N 3.2Å; S160-L162 VanDerWaalsContact OG-CB 3.3Å; S160-L162 WeakPolarHBondContact OG-CB 3.31Å; S160-L162 WeakPolarHBondContact OG-CG 3.3Å; S160-L162 PolarHBondContact OG-N 3.17Å; S160-L162 VanDerWaalsContact OG-N 3.16Å
161	A	68.8	Low	84	Confident	66 Å²	66	41.2 Å²	41.2	55%	0.545	23%	0.23	S	C	.	.			trans	-80.5	5.4	169.1	0	0	0	0	0	112.1	R163	A161-R163 VanDerWaalsContact C-N 3.33Å; A161-R163 WeakPolarHBondContact O-CD 3.17Å; A161-R163 PolarHBondContact O-N 3.22Å; A161-R163 PolarHBondContact O-NE 3.43Å; A161-R163 VanDerWaalsContact O-NE 3.09Å; A161-R163 PolarHBondContact O-NH1 3.45Å
162	L	64.9	Low	84	Confident	92 Å²	92	46.6 Å²	46.6	48%	0.482	25%	0.25	S	C	.	.	S	Bend	trans	-69.4	-34	-173.6	-62.1	173.5	0	0	0	110.8	Y132 S160 S164	Y132-L162 HydrophobicContact CE1-CB 4.28Å; Y132-L162 WeakPolarHBondContact CE1-O 3.48Å; S160-L162 PolarHBondContact O-N 3.2Å; S160-L162 VanDerWaalsContact OG-CB 3.3Å; S160-L162 WeakPolarHBondContact OG-CB 3.31Å; S160-L162 WeakPolarHBondContact OG-CG 3.3Å; S160-L162 PolarHBondContact OG-N 3.17Å; S160-L162 VanDerWaalsContact OG-N 3.16Å; L162-S164 PolarHBondContact O-N 3.37Å
163	R	80.4	Confident	84.1	Confident	71 Å²	71	52.2 Å²	52.2	27%	0.268	27%	0.274	S	S	.	.			trans	58.8	43.4	179.2	-48.7	129.6	179.3	150.6	-9.9	111	N89 Y93 I154 A161	N89-R163 PolarHBondContact ND2-O 2.9Å; Y93-R163 HydrophobicContact CD1-CB 4.36Å; Y93-R163 HydrophobicContact CD1-CG 3.53Å; Y93-R163 HydrophobicContact CD2-CB 3.96Å; Y93-R163 HydrophobicContact CD2-CG 3.75Å; Y93-R163 HydrophobicContact CE1-CG 3.49Å; Y93-R163 VanDerWaalsContact CE1-CG 3.49Å; Y93-R163 VanDerWaalsContact CE1-NE 3.25Å; Y93-R163 HydrophobicContact CE2-CB 4.3Å; Y93-R163 HydrophobicContact CE2-CG 3.76Å; Y93-R163 HydrophobicContact CG-CB 3.98Å; Y93-R163 HydrophobicContact CG-CG 3.63Å; I154-R163 HydrophobicContact CG2-CB 4.43Å; A161-R163 VanDerWaalsContact C-N 3.33Å; A161-R163 WeakPolarHBondContact O-CD 3.17Å; A161-R163 PolarHBondContact O-N 3.22Å; A161-R163 PolarHBondContact O-NE 3.43Å; A161-R163 VanDerWaalsContact O-NE 3.09Å; A161-R163 PolarHBondContact O-NH1 3.45Å
164	S	88.9	Confident	84.2	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.028	28%	0.28	C	S	.	.			trans	-81.3	165.5	-176.3	25.2	0	0	0	0	111.9	Y132 D134 W155 L162	Y132-S164 CarbonylContact O-C 3.47Å; Y132-S164 WeakPolarHBondContact O-CA 3.28Å; Y132-S164 WeakPolarHBondContact O-CB 3.21Å; D134-S164 VanDerWaalsContact CA-CB 3.45Å; D134-S164 PolarHBondContact OD1-OG 3.33Å; W155-S164 PolarHBondContact N-O 3.18Å; L162-S164 PolarHBondContact O-N 3.37Å
165	W	92.8	Very high	84.3	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	151.8	-176.7	-53	-15.1	0	0	0	112.1	I83 N89 L111 W122 Y128 Y130 S131 Y132 W133 D134 V152 Q153	I83-W165 HydrophobicContact CB-CH2 4.33Å; I83-W165 HydrophobicContact CB-CZ2 3.83Å; I83-W165 HydrophobicContact CD1-CZ2 4.07Å; I83-W165 HydrophobicContact CG2-CZ2 3.87Å; N89-W165 PolarHBondContact OD1-NE1 2.87Å; L111-W165 HydrophobicContact CD2-CE3 3.93Å; L111-W165 HydrophobicContact CD2-CZ3 3.7Å; W122-W165 HydrophobicContact CH2-CH2 4.13Å; W122-W165 AromaticContact CZ2-CH2 3.95Å; W122-W165 HydrophobicContact CZ2-CH2 3.95Å; W122-W165 HydrophobicContact CZ2-CZ3 4.42Å; Y128-W165 HydrophobicContact CE2-CZ3 4.21Å; Y130-W165 AromaticContact CD1-CH2 3.74Å; Y130-W165 HydrophobicContact CD1-CH2 3.74Å; Y130-W165 AromaticContact CD1-CZ2 3.84Å; Y130-W165 HydrophobicContact CD1-CZ2 3.84Å; Y130-W165 HydrophobicContact CE1-CH2 4.11Å; Y130-W165 AromaticContact CE1-CZ2 3.78Å; Y130-W165 HydrophobicContact CE1-CZ2 3.78Å; Y130-W165 WeakPolarHBondContact O-CH2 3.05Å; S131-W165 VanDerWaalsContact CA-CZ3 3.48Å; Y132-W165 PolarHBondContact O-N 3.49Å; W133-W165 HydrophobicContact CD2-CB 4.35Å; W133-W165 HydrophobicContact CD2-CE3 4.39Å; W133-W165 HydrophobicContact CE3-CB 3.73Å; W133-W165 HydrophobicContact CZ2-CE3 4.49Å; W133-W165 HydrophobicContact CZ3-CB 4.05Å; D134-W165 PolarHBondContact N-O 3Å; V152-W165 HydrophobicContact CG1-CB 3.75Å; V152-W165 HydrophobicContact CG1-CD2 4.44Å; V152-W165 HydrophobicContact CG1-CE3 4.42Å; V152-W165 HydrophobicContact CG1-CG 4.18Å; Q153-W165 VanDerWaalsContact O-CA 3.28Å; Q153-W165 WeakPolarHBondContact O-CA 3.41Å
166	N	89.4	Confident	84.9	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.064	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.3	172.5	-162.2	94.6	0	0	0	107.1	Q137 V152 Q153 W155	Q137-N166 PolarHBondContact OE1-OD1 3.38Å; V152-N166 WeakPolarHBondContact CA-O 3.42Å; Q153-N166 HydrophobicContact CG-CB 4.1Å; Q153-N166 WeakPolarHBondContact CG-O 3.38Å; Q153-N166 PolarHBondContact N-O 3.14Å; Q153-N166 PolarHBondContact O-N 2.98Å; W155-N166 HydrophobicContact CB-CB 3.91Å; W155-N166 HydrophobicContact CD2-CB 4.09Å; W155-N166 HydrophobicContact CE3-CB 3.79Å; W155-N166 HydrophobicContact CG-CB 4.15Å; W155-N166 HydrophobicContact CZ3-CB 4.43Å; W155-N166 WeakPolarHBondContact CZ3-OD1 3.31Å
167	D	83.8	Confident	85.6	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.011	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.4	163.5	56.3	-47.2	0	0	0	107.9	W133 Q137 P138 D139 D140 E149	W133-D167 HydrophobicContact CZ3-CB 4.21Å; Q137-D167 PolarHBondContact OE1-OD1 3.28Å; P138-D167 WeakPolarHBondContact CA-OD1 2.91Å; P138-D167 HydrophobicContact CB-CB 4.23Å; P138-D167 WeakPolarHBondContact CB-OD1 3.35Å; D139-D167 PolarHBondContact N-OD1 2.92Å; D139-D167 PolarHBondContact N-OD2 2.89Å; D140-D167 PolarHBondContact N-OD2 2.87Å; E149-D167 CarbonylContact O-C 3.24Å; E149-D167 VanDerWaalsContact O-CB 3.29Å; E149-D167 WeakPolarHBondContact O-CB 3.46Å
168	N	87.1	Confident	86.6	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.3	-171.5	-149.1	-44.6	0	0	0	110.2	W108 E149 C151 Q153 C170 R172	W108-N168 HydrophobicContact CH2-CB 4.01Å; W108-N168 HydrophobicContact CZ3-CB 4.12Å; E149-N168 CarbonylContact C-O 3.56Å; E149-N168 PolarHBondContact O-N 2.92Å; C151-N168 PolarHBondContact N-O 3.42Å; C151-N168 PolarHBondContact O-N 2.85Å; Q153-N168 HydrophobicContact CG-CB 4.47Å; Q153-N168 PolarHBondContact NE2-ND2 2.86Å; N168-C170 PolarHBondContact O-N 3.48Å; N168-C170 VanDerWaalsContact O-N 3.08Å; N168-R172 WeakPolarHBondContact OD1-CD 3.45Å; N168-R172 VanDerWaalsContact OD1-CZ 3.26Å; N168-R172 PolarHBondContact OD1-NE 3.48Å; N168-R172 PolarHBondContact OD1-NH1 3.04Å
169	I	90.2	Very high	87.9	Confident	21 Å²	21	39.4 Å²	39.4	11%	0.108	21%	0.214	C	C	.	.			trans	-55.1	118.2	177.3	-51.5	173.8	0	0	0	110.3	E147 E149 S171 R172	E147-I169 HydrophobicContact CB-CG2 4.07Å; E147-I169 WeakPolarHBondContact OE2-CG2 3.07Å; E149-I169 HydrophobicContact CG-CG1 3.78Å; I169-S171 VanDerWaalsContact CG2-OG 3.26Å; I169-S171 WeakPolarHBondContact CG2-OG 3.35Å; I169-S171 PolarHBondContact O-N 3.09Å; I169-R172 HydrophobicContact CB-CG 4.33Å; I169-R172 WeakPolarHBondContact O-CB 3.41Å; I169-R172 PolarHBondContact O-N 3.38Å
170	C	92.5	Very high	89.1	Confident	37 Å²	37	32.9 Å²	32.9	25%	0.25	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.2	-176.6	-63.5	0	0	0	0	114.7	W61 C151 N168 R172	W61-C170 HydrophobicContact CB-CB 4.43Å; W61-C170 PolarHBondContact N-O 3.25Å; C151-C170 HydrophobicContact CB-CB 3.88Å; C151-C170 WeakPolarHBondContact CB-SG 3.44Å; C151-C170 VanDerWaalsContact SG-CA 3.6Å; C151-C170 WeakPolarHBondContact SG-CB 3.41Å; C151-C170 CovalentContact SG-SG 2.03Å; C151-C170 PolarHBondContact SG-SG 3.19Å; N168-C170 PolarHBondContact O-N 3.48Å; N168-C170 VanDerWaalsContact O-N 3.08Å; C170-R172 VanDerWaalsContact C-N 3.3Å
171	S	92.8	Very high	90.2	Very high	70 Å²	70	34.4 Å²	34.4	49%	0.49	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.5	178.7	74.6	0	0	0	0	113.5	T60 I169	T60-S171 WeakPolarHBondContact CG2-O 3.45Å; I169-S171 VanDerWaalsContact CG2-OG 3.26Å; I169-S171 WeakPolarHBondContact CG2-OG 3.35Å; I169-S171 PolarHBondContact O-N 3.09Å
172	R	93.2	Very high	91.3	Very high	114 Å²	114	32.1 Å²	32.1	43%	0.43	16%	0.163	S	C	.	.	S	Bend	trans	-66.4	154.2	173.2	-68.6	-161.9	-175.3	177.5	5.4	111.5	T60 W108 N168 I169 C170 F174	T60-R172 WeakPolarHBondContact CA-O 3.43Å; W108-R172 HydrophobicContact CZ2-CB 4.14Å; W108-R172 WeakPolarHBondContact CZ2-O 3.41Å; N168-R172 WeakPolarHBondContact OD1-CD 3.45Å; N168-R172 VanDerWaalsContact OD1-CZ 3.26Å; N168-R172 PolarHBondContact OD1-NE 3.48Å; N168-R172 PolarHBondContact OD1-NH1 3.04Å; I169-R172 HydrophobicContact CB-CG 4.33Å; I169-R172 WeakPolarHBondContact O-CB 3.41Å; I169-R172 PolarHBondContact O-N 3.38Å; C170-R172 VanDerWaalsContact C-N 3.3Å; R172-F174 HydrophobicContact CB-CD2 4.34Å; R172-F174 HydrophobicContact CB-CE2 3.6Å; R172-F174 HydrophobicContact CB-CZ 3.82Å; R172-F174 HydrophobicContact CG-CE2 4.48Å; R172-F174 HydrophobicContact CG-CZ 4.43Å
173	K	95.3	Very high	92.3	Very high	117 Å²	117	31.4 Å²	31.4	51%	0.509	16%	0.16	S	C	.	.			trans	-112.6	111.4	-176.1	-60.3	-168	177.5	-168.5	0	111.5	N58 K59 T60	N58-K173 HydrophobicContact CB-CB 3.98Å; K59-K173 VanDerWaalsContact O-CA 3.29Å; K59-K173 WeakPolarHBondContact O-CA 3.46Å; T60-K173 HydrophobicContact CG2-CG 4.09Å
174	F	95.6	Very high	92.3	Very high	29 Å²	29	32 Å²	32	13%	0.127	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.3	177.8	-59.8	-53.8	0	0	0	111.5	K59 D106 W108 Q153 R172	K59-F174 PolarHBondContact N-O 3.11Å; K59-F174 PolarHBondContact O-N 3.1Å; K59-F174 VanDerWaalsContact O-N 3.08Å; D106-F174 HydrophobicContact CB-CD1 3.88Å; D106-F174 HydrophobicContact CB-CE1 4.02Å; D106-F174 HydrophobicContact CB-CG 4.16Å; D106-F174 HydrophobicContact CB-CZ 4.43Å; W108-F174 HydrophobicContact CD2-CB 4.26Å; W108-F174 AromaticContact CD2-CD2 3.78Å; W108-F174 HydrophobicContact CD2-CD2 3.78Å; W108-F174 AromaticContact CE2-CD2 3.34Å; W108-F174 HydrophobicContact CE3-CD2 4.06Å; W108-F174 HydrophobicContact CG-CB 4.17Å; W108-F174 AromaticContact CH2-CD2 3.55Å; W108-F174 HydrophobicContact CH2-CD2 3.55Å; W108-F174 AromaticContact CH2-CE2 3.59Å; W108-F174 HydrophobicContact CH2-CE2 3.59Å; W108-F174 AromaticContact CZ2-CD2 3.25Å; W108-F174 HydrophobicContact CZ2-CD2 3.25Å; W108-F174 AromaticContact CZ2-CE2 3.61Å; W108-F174 HydrophobicContact CZ2-CE2 3.61Å; W108-F174 HydrophobicContact CZ2-CG 4.34Å; W108-F174 AromaticContact CZ3-CD2 3.93Å; W108-F174 HydrophobicContact CZ3-CD2 3.93Å; W108-F174 HydrophobicContact CZ3-CE2 4.16Å; W108-F174 AromaticContact NE1-CD2 3.86Å; Q153-F174 VanDerWaalsContact OE1-CZ 3.3Å; R172-F174 HydrophobicContact CB-CD2 4.34Å; R172-F174 HydrophobicContact CB-CE2 3.6Å; R172-F174 HydrophobicContact CB-CZ 3.82Å; R172-F174 HydrophobicContact CG-CE2 4.48Å; R172-F174 HydrophobicContact CG-CZ 4.43Å
175	P	96.1	Very high	91.3	Very high	14 Å²	14	35.7 Å²	35.7	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	163.8	157.3	-24.9	36.9	0	0	0	111.7	F54 L57 N58 A105 D106 V107 W108	F54-P175 HydrophobicContact CE2-CB 3.5Å; F54-P175 VanDerWaalsContact CE2-CB 3.5Å; F54-P175 HydrophobicContact CZ-CB 3.8Å; L57-P175 WeakPolarHBondContact O-CA 3.37Å; N58-P175 VanDerWaalsContact OD1-CD 3.25Å; N58-P175 WeakPolarHBondContact OD1-CD 3.27Å; N58-P175 WeakPolarHBondContact OD1-CG 3.36Å; A105-P175 HydrophobicContact CB-CG 4.24Å; D106-P175 WeakPolarHBondContact O-CD 3.2Å; V107-P175 WeakPolarHBondContact CA-O 2.83Å; W108-P175 PolarHBondContact N-O 3.27Å
176	F	97.6	Very high	89.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	158.7	-172.7	57	-86.5	0	0	0	112.3	F54 F55 L57 K59 A64 Y67 L80 W108	F54-F176 WeakPolarHBondContact CD2-O 3.44Å; F55-F176 HydrophobicContact CB-CD1 4.49Å; F55-F176 HydrophobicContact CB-CD2 4.18Å; F55-F176 HydrophobicContact CB-CE1 4.01Å; F55-F176 HydrophobicContact CB-CE2 3.69Å; F55-F176 HydrophobicContact CB-CZ 3.58Å; F55-F176 HydrophobicContact CD2-CD2 4.16Å; F55-F176 AromaticContact CD2-CE2 3.64Å; F55-F176 HydrophobicContact CD2-CE2 3.64Å; F55-F176 HydrophobicContact CD2-CZ 4.29Å; F55-F176 AromaticContact CG-CE2 3.89Å; F55-F176 HydrophobicContact CG-CE2 3.89Å; F55-F176 HydrophobicContact CG-CZ 4.07Å; F55-F176 PolarHBondContact N-O 3.06Å; F55-F176 PolarHBondContact O-N 3.45Å; L57-F176 HydrophobicContact CB-CE1 4.05Å; L57-F176 WeakPolarHBondContact O-CD1 3.42Å; L57-F176 VanDerWaalsContact O-CE1 3.31Å; L57-F176 WeakPolarHBondContact O-CE1 3.26Å; K59-F176 HydrophobicContact CB-CD1 4.33Å; K59-F176 HydrophobicContact CB-CE1 4.09Å; K59-F176 HydrophobicContact CD-CD1 4.43Å; K59-F176 HydrophobicContact CD-CE1 3.49Å; K59-F176 VanDerWaalsContact CD-CE1 3.49Å; K59-F176 HydrophobicContact CD-CZ 3.78Å; K59-F176 HydrophobicContact CG-CE1 3.86Å; A64-F176 HydrophobicContact CB-CB 3.92Å; A64-F176 HydrophobicContact CB-CD1 3.68Å; A64-F176 HydrophobicContact CB-CD2 4.03Å; A64-F176 HydrophobicContact CB-CE1 4.19Å; A64-F176 HydrophobicContact CB-CE2 4.48Å; A64-F176 HydrophobicContact CB-CG 3.61Å; Y67-F176 AromaticContact CD1-CE2 3.54Å; Y67-F176 HydrophobicContact CD1-CE2 3.54Å; Y67-F176 AromaticContact CD1-CZ 3.44Å; Y67-F176 HydrophobicContact CD1-CZ 3.44Å; Y67-F176 VanDerWaalsContact CD1-CZ 3.44Å; Y67-F176 HydrophobicContact CE1-CE2 4.21Å; Y67-F176 AromaticContact CE1-CZ 3.99Å; Y67-F176 HydrophobicContact CE1-CZ 3.99Å; Y67-F176 HydrophobicContact CG-CE2 4.23Å; Y67-F176 AromaticContact CG-CZ 3.86Å; Y67-F176 HydrophobicContact CG-CZ 3.86Å; L80-F176 HydrophobicContact CD2-CB 3.66Å; L80-F176 HydrophobicContact CD2-CD2 4.12Å; L80-F176 HydrophobicContact CD2-CG 4.24Å; W108-F176 HydrophobicContact CB-CB 3.93Å
177	V	97.8	Very high	89.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.6	175.1	178.6	0	0	0	0	109.1	Y52 R53 F54 A81 V92 L95 V96 V107	Y52-V177 HydrophobicContact CD1-CG1 4.29Å; R53-V177 WeakPolarHBondContact O-CA 3.45Å; F54-V177 HydrophobicContact CB-CG2 4.14Å; F54-V177 HydrophobicContact CD2-CG2 3.91Å; A81-V177 HydrophobicContact CB-CB 4.18Å; A81-V177 HydrophobicContact CB-CG1 3.96Å; A81-V177 WeakPolarHBondContact CB-O 3.43Å; A81-V177 PolarHBondContact N-O 2.85Å; V92-V177 HydrophobicContact CG1-CB 4.22Å; V92-V177 HydrophobicContact CG1-CG1 4.25Å; V92-V177 HydrophobicContact CG1-CG2 4.01Å; L95-V177 HydrophobicContact CD2-CG1 4.28Å; V96-V177 HydrophobicContact CG2-CG2 3.88Å; V107-V177 HydrophobicContact CG1-CG2 3.78Å
178	C	98.4	Very high	90.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.6	171.8	-55.5	0	0	0	0	110.6	W44 Y52 R53 F55 C68 A78 K79	W44-C178 HydrophobicContact CH2-CB 3.61Å; W44-C178 HydrophobicContact CZ3-CB 3.99Å; Y52-C178 CarbonylContact C-O 3.52Å; Y52-C178 VanDerWaalsContact CA-O 3.24Å; Y52-C178 WeakPolarHBondContact CA-O 3.45Å; R53-C178 PolarHBondContact N-O 2.75Å; R53-C178 PolarHBondContact O-N 3.33Å; F55-C178 HydrophobicContact CE2-CB 4.13Å; F55-C178 WeakPolarHBondContact CE2-SG 3.1Å; C68-C178 WeakPolarHBondContact CA-SG 3.47Å; C68-C178 HydrophobicContact CB-CB 3.73Å; C68-C178 WeakPolarHBondContact CB-SG 3.35Å; C68-C178 WeakPolarHBondContact SG-CA 3.26Å; C68-C178 WeakPolarHBondContact SG-CB 3.17Å; C68-C178 CovalentContact SG-SG 2.04Å; C68-C178 PolarHBondContact SG-SG 2.85Å; A78-C178 HydrophobicContact CB-CB 4.34Å; K79-C178 CarbonylContact O-C 3.57Å; K79-C178 VanDerWaalsContact O-CA 3.23Å; K79-C178 WeakPolarHBondContact O-CA 3.36Å
179	K	98.3	Very high	90.3	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142	175.7	179.5	-177.5	177.3	172	0	110.4	H50 C51 Y52 A78 K79 A81 S82 H84 E88	H50-K179 HydrophobicContact CB-CG 4.25Å; H50-K179 WeakPolarHBondContact CD2-CE 3.29Å; C51-K179 CarbonylContact O-C 3.51Å; C51-K179 WeakPolarHBondContact O-CA 3.32Å; Y52-K179 HydrophobicContact CD1-CB 3.99Å; Y52-K179 HydrophobicContact CD1-CD 4.47Å; Y52-K179 HydrophobicContact CD1-CG 4.07Å; Y52-K179 HydrophobicContact CE1-CB 3.92Å; Y52-K179 HydrophobicContact CE1-CD 3.57Å; Y52-K179 HydrophobicContact CE1-CG 3.57Å; Y52-K179 WeakPolarHBondContact OH-CE 3.25Å; A78-K179 VanDerWaalsContact CA-O 3.25Å; A78-K179 WeakPolarHBondContact CA-O 3.4Å; A78-K179 WeakPolarHBondContact CB-O 3.47Å; K79-K179 PolarHBondContact N-O 3Å; K79-K179 PolarHBondContact O-N 3.23Å; A81-K179 HydrophobicContact CB-CB 4.01Å; S82-K179 PolarHBondContact O-NZ 3.4Å; S82-K179 WeakPolarHBondContact OG-CD 3.19Å; S82-K179 WeakPolarHBondContact OG-CE 3.41Å; S82-K179 PolarHBondContact OG-NZ 2.75Å; H84-K179 PolarHBondContact CD2-NZ 3.45Å; E88-K179 IonicContact OE1-NZ 2.98Å; E88-K179 PolarHBondContact OE1-NZ 3.32Å
180	I	96.9	Very high	90.3	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.4	172.9	-166.4	169.6	0	0	0	110.2	W44 H50 C51 V73 K76 A78 S182	W44-I180 HydrophobicContact CE3-CG2 3.98Å; W44-I180 HydrophobicContact CH2-CG2 4.35Å; W44-I180 HydrophobicContact CZ3-CB 4.41Å; W44-I180 HydrophobicContact CZ3-CG2 3.76Å; H50-I180 CarbonylContact C-O 3.51Å; H50-I180 WeakPolarHBondContact CA-O 3.48Å; C51-I180 HydrophobicContact CB-CG2 3.81Å; C51-I180 PolarHBondContact N-O 2.89Å; C51-I180 PolarHBondContact O-N 2.92Å; V73-I180 HydrophobicContact CB-CD1 3.63Å; V73-I180 HydrophobicContact CB-CG1 4.3Å; V73-I180 HydrophobicContact CG2-CD1 3.78Å; V73-I180 HydrophobicContact CG2-CG2 4.36Å; K76-I180 HydrophobicContact CB-CG1 4.44Å; K76-I180 WeakPolarHBondContact O-CD1 3.35Å; A78-I180 HydrophobicContact CB-CB 3.74Å; A78-I180 HydrophobicContact CB-CD1 4.13Å; A78-I180 HydrophobicContact CB-CG1 4.29Å; A78-I180 HydrophobicContact CB-CG2 4.46Å; I180-S182 PolarHBondContact O-N 3.08Å
181	P	94.4	Very high	90.2	Very high	57 Å²	57	56.3 Å²	56.3	37%	0.37	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	138.9	170.8	-25.8	35.7	0	0	0	111.5
182	S	91.2	Very high	90	Very high	17 Å²	17	55.3 Å²	55.3	12%	0.119	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.9	158.4	172.3	67.8	0	0	0	0	111.5	S38 G49 I180 T184	S38-S182 WeakPolarHBondContact CB-OG 3.49Å; G49-S182 VanDerWaalsContact O-CB 3.26Å; G49-S182 WeakPolarHBondContact O-CB 3.34Å; G49-S182 PolarHBondContact O-N 3.05Å; G49-S182 PolarHBondContact O-OG 2.74Å; I180-S182 PolarHBondContact O-N 3.08Å; S182-T184 PolarHBondContact O-N 3.26Å
183	L	86.4	Confident	89.7	Confident	78 Å²	78	51.1 Å²	51.1	41%	0.408	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.5	169.3	-71.9	171.9	0	0	0	109.5	S38 L39 V73 I185	S38-L183 WeakPolarHBondContact CA-O 3.33Å; L39-L183 HydrophobicContact CB-CB 4.28Å; L39-L183 PolarHBondContact N-O 3.16Å; L39-L183 PolarHBondContact O-N 3.22Å; L39-L183 VanDerWaalsContact O-N 3.09Å; V73-L183 HydrophobicContact CG1-CB 4.46Å; V73-L183 HydrophobicContact CG1-CD1 4.01Å; V73-L183 HydrophobicContact CG1-CD2 3.15Å; V73-L183 HydrophobicContact CG1-CG 3.25Å; L183-I185 PolarHBondContact O-N 3.4Å
184	T	78.8	Confident	89.3	Confident	82 Å²	82	46.1 Å²	46.1	50%	0.503	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.4	163.6	-47.3	0	0	0	0	108.7	Q36 S182	Q36-T184 HydrophobicContact CB-CG2 4.07Å; Q36-T184 HydrophobicContact CG-CG2 4.46Å; S182-T184 PolarHBondContact O-N 3.26Å
185	I	68.9	Low	88.8	Confident	83 Å²	83	47.5 Å²	47.5	43%	0.426	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-85.2	116.5	170.9	-56.3	174.3	0	0	0	106.9	P37 L39 L183	P37-I185 HydrophobicContact CG-CB 4.34Å; P37-I185 PolarHBondContact O-N 3.21Å; L39-I185 HydrophobicContact CB-CD1 4.23Å; L183-I185 PolarHBondContact O-N 3.4Å
186	H	60.8	Low	88.1	Confident	226 Å²	226	50.5 Å²	50.5	100%	1.046	27%	0.267	S	S	*	.			trans	-89.7	0	169.6	-68.1	-61.9	0	0	0	111

Retrieved 186 of 186 residues in 561.2 ms (Link to these results)

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