A0A087YFG8_POEFO Loading...

SPRY domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A087YFG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	38.9	Very low	246 Å²	246	145.2 Å²	145.2	100%	1.212	86%	0.863	S	S	*	*				0	135.2	0	-86.3	-169.2	-106.5	0	0	108.3
2	A	35.5	Very low	39.1	Very low	102 Å²	102	143.9 Å²	143.9	84%	0.843	86%	0.864	S	S	*	*			trans	66.1	95.7	176.1	0	0	0	0	0	115.9
3	A	37.3	Very low	39.4	Very low	104 Å²	104	138.9 Å²	138.9	86%	0.86	86%	0.86	S	S	*	*				84.3	95.2	73.1	0	0	0	0	0	112.4
4	M	38.7	Very low	39.6	Very low	176 Å²	176	143.4 Å²	143.4	87%	0.867	87%	0.866	S	S	*	*			trans	-114.2	110.1	158.8	-74.6	-107.5	-94.3	0	0	105.9
5	F	37.4	Very low	39.7	Very low	216 Å²	216	138.9 Å²	138.9	95%	0.947	86%	0.86	S	S	*	*			trans	-148	105.5	159.7	-102.5	-78.5	0	0	0	108.7
6	T	41	Very low	39.9	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	86%	0.855	S	S	*	*			trans	-104.8	151.5	169.7	-50.1	0	0	0	0	107.2
7	C	37	Very low	40.3	Very low	114 Å²	114	132.9 Å²	132.9	77%	0.77	85%	0.847	S	S	*	*			trans	71.8	147.9	159.8	88.5	0	0	0	0	116.8
8	C	42.2	Very low	40.7	Very low	103 Å²	103	129.3 Å²	129.3	70%	0.696	84%	0.839	S	S	*	*			cis	174.1	143.5	-20.8	-108.5	0	0	0	0	103.9
9	F	41.3	Very low	41.3	Very low	212 Å²	212	131.1 Å²	131.1	93%	0.93	83%	0.834	S	S	*	*			trans	62.9	130.4	154	-82.8	-93.9	0	0	0	120.4
10	G	36.6	Very low	42.2	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	83%	0.83	S	S	*	*			trans	165	89.9	158.4	0	0	0	0	0	114.2
11	C	44.8	Very low	42.8	Very low	133 Å²	133	130.9 Å²	130.9	90%	0.899	83%	0.825	S	S	*	*			trans	-52.4	136.3	163.2	-64.3	0	0	0	0	111.4
12	C	42	Very low	43.8	Very low	130 Å²	130	127.4 Å²	127.4	88%	0.878	81%	0.81	S	S	*	*			trans	-147.3	119.3	154.1	-87.5	0	0	0	0	108.9
13	G	43.4	Very low	44.9	Very low	79 Å²	79	131.6 Å²	131.6	81%	0.814	81%	0.81	S	S	*	*			trans	-70.6	141.6	179	0	0	0	0	0	112.6	G15	G13-G15 PolarHBondContact O-N 3.09Å
14	E	41.3	Very low	46.2	Very low	201 Å²	201	135.1 Å²	135.1	94%	0.939	81%	0.808	S	S	*	*			trans	-81.8	97.9	165.4	-85.1	173	106.8	0	0	109	G16	E14-G16 PolarHBondContact O-N 3.19Å; E14-G16 VanDerWaalsContact O-N 3.09Å
15	G	42	Very low	47.6	Very low	76 Å²	76	133.3 Å²	133.3	78%	0.784	80%	0.799	S	S	*	*			trans	-62.9	102.2	157.2	0	0	0	0	0	108.4	G13 S17	G13-G15 PolarHBondContact O-N 3.09Å; G15-S17 PolarHBondContact O-N 2.99Å
16	G	42.6	Very low	49.7	Very low	75 Å²	75	127 Å²	127	77%	0.773	78%	0.78	S	S	*	*			trans	-58.9	103.8	169.9	0	0	0	0	0	109.4	E14 G18	E14-G16 PolarHBondContact O-N 3.19Å; E14-G16 VanDerWaalsContact O-N 3.09Å; G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 2.87Å
17	S	47.2	Very low	52.1	Low	102 Å²	102	125.5 Å²	125.5	71%	0.713	77%	0.771	S	S	*	*			trans	-59	97.1	164.8	171.2	0	0	0	0	107.8	G15 H19	G15-S17 PolarHBondContact O-N 2.99Å; S17-H19 PolarHBondContact O-N 2.91Å
18	G	47	Very low	54.9	Low	68 Å²	68	121.2 Å²	121.2	70%	0.701	74%	0.741	S	S	*	*			trans	-68.8	80.9	170.5	0	0	0	0	0	109.2	G16 I20	G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 2.87Å; G18-I20 PolarHBondContact O-N 2.95Å
19	H	51.9	Low	57.5	Low	163 Å²	163	119.5 Å²	119.5	76%	0.755	72%	0.723	S	S	*	*			trans	-67.1	100.1	167.6	-129.3	-78.1	0	0	0	107	S17 P21	S17-H19 PolarHBondContact O-N 2.91Å; H19-P21 VanDerWaalsContact O-CD 3.24Å; H19-P21 WeakPolarHBondContact O-CD 3.39Å
20	I	58.6	Low	60.2	Low	146 Å²	146	109.6 Å²	109.6	75%	0.749	68%	0.679	S	S	*	*			trans	-61.3	117.9	169.1	-57.8	170.2	0	0	0	105.6	G18 L22	G18-I20 PolarHBondContact O-N 2.95Å; I20-L22 PolarHBondContact O-N 3.27Å
21	P	56.3	Low	63.1	Low	112 Å²	112	107.6 Å²	107.6	73%	0.727	65%	0.652	S	S	*	*			trans	-62.1	116.2	173.4	-14.2	27.6	0	0	0	107.1	H19 K23	H19-P21 VanDerWaalsContact O-CD 3.24Å; H19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-K23 PolarHBondContact O-N 2.75Å
22	L	55.8	Low	65.6	Low	172 Å²	172	105.2 Å²	105.2	90%	0.901	63%	0.634	S	S	*	*			trans	-58.5	112.5	168.7	-81.2	160.3	0	0	0	106.5	I20 E24	I20-L22 PolarHBondContact O-N 3.27Å; L22-E24 PolarHBondContact O-N 3.23Å
23	K	59.2	Low	68.2	Low	191 Å²	191	106.7 Å²	106.7	83%	0.83	63%	0.627	S	S	*	*			trans	-56.6	115	174.9	-176.6	178.1	179.3	-177.9	0	107.2	P21 M25	P21-K23 PolarHBondContact O-N 2.75Å; K23-M25 PolarHBondContact O-N 2.94Å
24	E	63.4	Low	70.8	Confident	177 Å²	177	106 Å²	106	83%	0.827	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-55.4	123.6	176.9	-165.3	171.8	-171.5	0	0	108.2	L22	L22-E24 PolarHBondContact O-N 3.23Å
25	M	68.1	Low	73.5	Confident	139 Å²	139	98.9 Å²	98.9	69%	0.685	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-66.1	133.6	-178.5	-77.3	-171	160.6	0	0	108.7	K23 T27	K23-M25 PolarHBondContact O-N 2.94Å; M25-T27 PolarHBondContact O-N 2.95Å
26	P	82.2	Confident	76.2	Confident	83 Å²	83	95.4 Å²	95.4	54%	0.539	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-59.5	135.4	177.7	24.2	-31.7	0	0	0	109.9	F191	P26-F191 HydrophobicContact CB-CD2 3.97Å; P26-F191 HydrophobicContact CB-CE2 3.74Å; P26-F191 HydrophobicContact CB-CZ 4.14Å; P26-F191 HydrophobicContact CG-CB 4.49Å; P26-F191 HydrophobicContact CG-CD2 3.71Å; P26-F191 HydrophobicContact CG-CE2 4.03Å; P26-F191 HydrophobicContact CG-CG 4.01Å; P26-F191 VanDerWaalsContact O-CD2 3.26Å; P26-F191 WeakPolarHBondContact O-CD2 3.46Å; P26-F191 WeakPolarHBondContact O-CE2 3.22Å
27	T	91.4	Very high	78.8	Confident	89 Å²	89	97 Å²	97	55%	0.546	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-95.2	143.6	177.8	54.9	0	0	0	0	110.4	M25 Q29 N57	M25-T27 PolarHBondContact O-N 2.95Å; T27-Q29 PolarHBondContact O-N 3.31Å; T27-N57 PolarHBondContact O-ND2 3.21Å
28	V	96.2	Very high	81.3	Confident	23 Å²	23	97.5 Å²	97.5	14%	0.139	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-76	126.3	176	-175.3	0	0	0	0	108.5	A56 N57 A58 F175 I189 F191	V28-A56 HydrophobicContact CG1-CB 4.25Å; V28-N57 VanDerWaalsContact CA-OD1 3.26Å; V28-N57 WeakPolarHBondContact CA-OD1 3.39Å; V28-A58 HydrophobicContact CB-CB 4.48Å; V28-A58 HydrophobicContact CG1-CB 3.97Å; V28-A58 HydrophobicContact CG2-CB 3.76Å; V28-F175 HydrophobicContact CB-CB 3.74Å; V28-F175 HydrophobicContact CB-CD2 4.36Å; V28-F175 HydrophobicContact CB-CG 4.13Å; V28-F175 HydrophobicContact CG1-CB 3.76Å; V28-F175 HydrophobicContact CG1-CD1 4.04Å; V28-F175 HydrophobicContact CG1-CD2 3.82Å; V28-F175 HydrophobicContact CG1-CE2 4.4Å; V28-F175 HydrophobicContact CG1-CG 3.61Å; V28-F175 WeakPolarHBondContact O-CD2 3.24Å; V28-I189 HydrophobicContact CG1-CB 4.39Å; V28-I189 HydrophobicContact CG1-CD1 4.35Å; V28-I189 HydrophobicContact CG2-CB 4.17Å; V28-I189 HydrophobicContact CG2-CG2 4.21Å; V28-I189 WeakPolarHBondContact CG2-O 3.41Å; V28-F191 HydrophobicContact CG2-CD2 4.19Å; V28-F191 HydrophobicContact CG2-CE2 3.69Å; V28-F191 HydrophobicContact CG2-CZ 4.23Å
29	Q	97.3	Very high	83.7	Confident	67 Å²	67	94.7 Å²	94.7	31%	0.313	49%	0.493	S	S	.	.			trans	-154.6	171.6	-176.3	61.2	-179.7	-4.5	0	0	110.7	T27 N31 S44 A56 N57	T27-Q29 PolarHBondContact O-N 3.31Å; Q29-N31 PolarHBondContact O-N 3.29Å; Q29-S44 PolarHBondContact OE1-O 3.03Å; Q29-S44 VanDerWaalsContact OE1-O 3.07Å; Q29-A56 CarbonylContact O-C 3.59Å; Q29-A56 WeakPolarHBondContact O-CA 3.1Å; Q29-N57 PolarHBondContact N-OD1 2.95Å; Q29-N57 PolarHBondContact O-N 3.18Å; Q29-N57 PolarHBondContact O-OD1 3.49Å; Q29-N57 VanDerWaalsContact O-OD1 3.13Å
30	L	98.3	Very high	85.9	Confident	4 Å²	4	90.3 Å²	90.3	2%	0.021	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	131.3	173.1	-62.1	176.9	0	0	0	110.6	I41 G45 I48 V163 F175	L30-I41 HydrophobicContact CB-CD1 4.17Å; L30-I41 HydrophobicContact CB-CG2 4.2Å; L30-I41 HydrophobicContact CD1-CD1 3.77Å; L30-G45 VanDerWaalsContact CB-O 3.28Å; L30-G45 WeakPolarHBondContact CB-O 3.41Å; L30-G45 WeakPolarHBondContact CG-O 3.26Å; L30-G45 PolarHBondContact N-O 2.93Å; L30-I48 HydrophobicContact CD1-CB 3.81Å; L30-I48 HydrophobicContact CD1-CG2 4.2Å; L30-V163 HydrophobicContact CD1-CG1 4.46Å; L30-V163 HydrophobicContact CD2-CG1 3.66Å; L30-F175 HydrophobicContact CD2-CE2 4.36Å; L30-F175 HydrophobicContact CD2-CZ 4.33Å
31	N	97.1	Very high	87.8	Confident	29 Å²	29	84.8 Å²	84.8	16%	0.155	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.6	-173.2	-169.7	-8.9	0	0	0	111.3	Q29 H33 H34 C54 L55 N57	Q29-N31 PolarHBondContact O-N 3.29Å; N31-H33 PolarHBondContact O-N 2.99Å; N31-H33 VanDerWaalsContact O-N 3.12Å; N31-H33 WeakPolarHBondContact OD1-CB 3.43Å; N31-H33 PolarHBondContact OD1-N 3.17Å; N31-H33 PolarHBondContact OD1-ND1 3.3Å; N31-H34 HydrophobicContact CB-CB 4.29Å; N31-H34 PolarHBondContact ND2-ND1 3.25Å; N31-H34 CarbonylContact O-C 3.55Å; N31-H34 VanDerWaalsContact O-C 3.24Å; N31-H34 PolarHBondContact O-N 3.17Å; N31-C54 PolarHBondContact O-SG 3.05Å; N31-C54 VanDerWaalsContact O-SG 3.36Å; N31-L55 VanDerWaalsContact CB-O 3.24Å; N31-L55 WeakPolarHBondContact CB-O 3.46Å; N31-L55 PolarHBondContact N-O 3.03Å; N31-N57 HydrophobicContact CB-CB 4Å
32	T	96.2	Very high	89.8	Confident	84 Å²	84	82.5 Å²	82.5	52%	0.515	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-13.3	178.1	55.3	0	0	0	0	114.3	M35 I41	T32-M35 VanDerWaalsContact CA-SD 3.58Å; T32-M35 HydrophobicContact CG2-SD 4.27Å; T32-M35 WeakPolarHBondContact O-CG 3.24Å; T32-I41 HydrophobicContact CG2-CB 4.21Å; T32-I41 HydrophobicContact CG2-CG1 4.43Å; T32-I41 HydrophobicContact CG2-CG2 4.38Å
33	H	96.9	Very high	91.7	Very high	160 Å²	160	79.7 Å²	79.7	74%	0.741	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	-12.5	172.5	-56.7	84.1	0	0	0	112.7	N31	N31-H33 PolarHBondContact O-N 2.99Å; N31-H33 VanDerWaalsContact O-N 3.12Å; N31-H33 WeakPolarHBondContact OD1-CB 3.43Å; N31-H33 PolarHBondContact OD1-N 3.17Å; N31-H33 PolarHBondContact OD1-ND1 3.3Å
34	H	97.8	Very high	93.3	Very high	65 Å²	65	75.8 Å²	75.8	30%	0.301	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	68.5	-180	-63.8	85.6	0	0	0	109.2	N31 C54 L55 L88	N31-H34 HydrophobicContact CB-CB 4.29Å; N31-H34 PolarHBondContact ND2-ND1 3.25Å; N31-H34 CarbonylContact O-C 3.55Å; N31-H34 VanDerWaalsContact O-C 3.24Å; N31-H34 PolarHBondContact O-N 3.17Å; H34-C54 WeakPolarHBondContact O-CA 3.24Å; H34-C54 PolarHBondContact O-SG 3.24Å; H34-L55 HydrophobicContact CB-CB 4.17Å; H34-L55 HydrophobicContact CB-CD1 4.27Å; H34-L55 HydrophobicContact CB-CG 4.46Å; H34-L55 PolarHBondContact O-N 3.1Å; H34-L88 HydrophobicContact CB-CD1 4.41Å; H34-L88 VanDerWaalsContact O-CD1 3.24Å; H34-L88 WeakPolarHBondContact O-CD1 3.49Å
35	M	98.3	Very high	94.9	Very high	52 Å²	52	67.8 Å²	67.8	26%	0.256	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.9	178.2	63.6	-174.1	-73.8	0	0	111.1	T32 V39 I41 G53 C54	T32-M35 VanDerWaalsContact CA-SD 3.58Å; T32-M35 HydrophobicContact CG2-SD 4.27Å; T32-M35 WeakPolarHBondContact O-CG 3.24Å; M35-V39 HydrophobicContact CB-CB 4.36Å; M35-V39 HydrophobicContact CB-CG1 4.41Å; M35-V39 HydrophobicContact CE-CB 3.53Å; M35-V39 HydrophobicContact CE-CG1 3.66Å; M35-V39 WeakPolarHBondContact CE-O 3.47Å; M35-I41 HydrophobicContact CE-CG1 3.81Å; M35-I41 HydrophobicContact SD-CG1 3.99Å; M35-G53 CarbonylContact C-O 3.52Å; M35-G53 VanDerWaalsContact CA-O 3.29Å; M35-G53 WeakPolarHBondContact CA-O 3.35Å; M35-C54 HydrophobicContact CB-CB 4.01Å
36	G	98.3	Very high	96.3	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.021	36%	0.363	C	S	.	.			trans	-64.7	161.3	172.7	0	0	0	0	0	112.3	D38 V39 G53 N89	G36-D38 PolarHBondContact O-N 3.36Å; G36-V39 WeakPolarHBondContact O-CB 3.47Å; G36-V39 PolarHBondContact O-N 3.45Å; G36-G53 PolarHBondContact N-O 3.07Å; G36-N89 WeakPolarHBondContact CA-OD1 3.29Å
37	T	98.1	Very high	97	Very high	108 Å²	108	64.9 Å²	64.9	66%	0.663	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-39.4	-171.7	-53.8	0	0	0	0	112.5	N89	T37-N89 PolarHBondContact N-OD1 2.92Å; T37-N89 PolarHBondContact OG1-ND2 3.02Å; T37-N89 VanDerWaalsContact OG1-ND2 3.1Å; T37-N89 PolarHBondContact OG1-OD1 2.92Å
38	D	98.1	Very high	97.4	Very high	114 Å²	114	60.6 Å²	60.6	61%	0.61	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	18.2	-178.1	-57.2	-47.3	0	0	0	112.5	G36 G50 T51	G36-D38 PolarHBondContact O-N 3.36Å; D38-G50 WeakPolarHBondContact O-CA 3.47Å; D38-T51 CarbonylContact C-O 3.51Å; D38-T51 VanDerWaalsContact C-O 3.3Å; D38-T51 PolarHBondContact O-N 3.36Å
39	V	98.4	Very high	97.5	Very high	9 Å²	9	61 Å²	61	6%	0.055	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.5	175.3	-179.8	0	0	0	0	109.4	M35 G36 I41 I48 T51 G52	M35-V39 HydrophobicContact CB-CB 4.36Å; M35-V39 HydrophobicContact CB-CG1 4.41Å; M35-V39 HydrophobicContact CE-CB 3.53Å; M35-V39 HydrophobicContact CE-CG1 3.66Å; M35-V39 WeakPolarHBondContact CE-O 3.47Å; G36-V39 WeakPolarHBondContact O-CB 3.47Å; G36-V39 PolarHBondContact O-N 3.45Å; V39-I41 HydrophobicContact CG1-CD1 3.78Å; V39-I41 HydrophobicContact CG1-CG1 4.32Å; V39-I48 HydrophobicContact CG1-CD1 3.57Å; V39-I48 HydrophobicContact CG1-CG1 3.57Å; V39-T51 WeakPolarHBondContact CG2-O 3.25Å; V39-T51 PolarHBondContact N-O 3.34Å; V39-G52 VanDerWaalsContact CG2-CA 3.46Å
40	V	98.4	Very high	97.5	Very high	70 Å²	70	59.2 Å²	59.2	42%	0.424	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.8	175.3	178.7	0	0	0	0	108.9	V42 I48 C49	V40-V42 HydrophobicContact CG1-CG1 4.01Å; V40-I48 WeakPolarHBondContact O-CA 3.42Å; V40-C49 PolarHBondContact N-O 3.49Å; V40-C49 PolarHBondContact O-N 3.12Å
41	I	98.5	Very high	97.5	Very high	31 Å²	31	61.7 Å²	61.7	16%	0.159	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.6	177.5	-55.9	-55.6	0	0	0	110	L30 T32 M35 V39 R47 I48 C54	L30-I41 HydrophobicContact CB-CD1 4.17Å; L30-I41 HydrophobicContact CB-CG2 4.2Å; L30-I41 HydrophobicContact CD1-CD1 3.77Å; T32-I41 HydrophobicContact CG2-CB 4.21Å; T32-I41 HydrophobicContact CG2-CG1 4.43Å; T32-I41 HydrophobicContact CG2-CG2 4.38Å; M35-I41 HydrophobicContact CE-CG1 3.81Å; M35-I41 HydrophobicContact SD-CG1 3.99Å; V39-I41 HydrophobicContact CG1-CD1 3.78Å; V39-I41 HydrophobicContact CG1-CG1 4.32Å; I41-R47 CarbonylContact C-O 3.57Å; I41-R47 VanDerWaalsContact CA-O 3.3Å; I41-R47 WeakPolarHBondContact CA-O 3.26Å; I41-I48 HydrophobicContact CD1-CB 3.75Å; I41-I48 HydrophobicContact CD1-CD1 4.14Å; I41-I48 HydrophobicContact CD1-CG1 3.73Å; I41-C54 HydrophobicContact CD1-CB 4.3Å
42	V	97.6	Very high	97.6	Very high	64 Å²	64	60.4 Å²	60.4	39%	0.388	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	-175.5	179.1	-60.3	0	0	0	0	111.1	V40 S44 G45 R46 R47	V40-V42 HydrophobicContact CG1-CG1 4.01Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-S44 PolarHBondContact O-N 3Å; V42-G45 PolarHBondContact O-N 2.96Å; V42-R46 PolarHBondContact O-N 3.24Å; V42-R47 HydrophobicContact CG2-CB 3.65Å; V42-R47 HydrophobicContact CG2-CG 3.65Å; V42-R47 PolarHBondContact N-O 3.34Å; V42-R47 PolarHBondContact O-N 2.92Å
43	K	95.4	Very high	97.7	Very high	112 Å²	112	56.4 Å²	56.4	49%	0.487	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	46.2	-177.6	-64.4	-170	171.1	-171.7	0	113.3	G45 R46 R47 D172	K43-G45 PolarHBondContact O-N 2.93Å; K43-R46 HydrophobicContact CB-CB 4.36Å; K43-R46 WeakPolarHBondContact O-CB 3.38Å; K43-R46 PolarHBondContact O-N 3.14Å; K43-R47 HydrophobicContact CB-CB 4.08Å; K43-R47 HydrophobicContact CD-CB 4.12Å; K43-R47 HydrophobicContact CG-CB 4.11Å; K43-R47 VanDerWaalsContact NZ-CZ 3.26Å; K43-D172 IonicContact NZ-OD2 2.62Å
44	S	94.3	Very high	97.8	Very high	109 Å²	109	48.8 Å²	48.8	76%	0.762	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	54.6	179.5	-51.7	0	0	0	0	112.3	Q29 V42 R46	Q29-S44 PolarHBondContact OE1-O 3.03Å; Q29-S44 VanDerWaalsContact OE1-O 3.07Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-S44 PolarHBondContact O-N 3Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.46Å
45	G	95.1	Very high	97.9	Very high	9 Å²	9	45.8 Å²	45.8	9%	0.093	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	10.5	176.7	0	0	0	0	0	115	L30 V42 K43	L30-G45 VanDerWaalsContact CB-O 3.28Å; L30-G45 WeakPolarHBondContact CB-O 3.41Å; L30-G45 WeakPolarHBondContact CG-O 3.26Å; L30-G45 PolarHBondContact N-O 2.93Å; V42-G45 PolarHBondContact O-N 2.96Å; K43-G45 PolarHBondContact O-N 2.93Å
46	R	97.5	Very high	97.9	Very high	113 Å²	113	43.4 Å²	43.4	43%	0.426	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-15.5	-174.9	-66.1	-179.6	62.1	-164.5	-3.2	115.6	V42 K43 S44 D172 C173	V42-R46 PolarHBondContact O-N 3.24Å; K43-R46 HydrophobicContact CB-CB 4.36Å; K43-R46 WeakPolarHBondContact O-CB 3.38Å; K43-R46 PolarHBondContact O-N 3.14Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.46Å; R46-D172 CarbonylContact O-C 3.4Å; R46-D172 WeakPolarHBondContact O-CA 3.13Å; R46-C173 VanDerWaalsContact CA-SG 3.56Å; R46-C173 PolarHBondContact O-N 3.13Å; R46-C173 PolarHBondContact O-SG 2.9Å
47	R	98.6	Very high	97.8	Very high	48 Å²	48	45.2 Å²	45.2	18%	0.181	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.1	-178.5	176.4	168	-69.2	-159.7	-12.7	110.4	I41 V42 K43 I170 L171 D172	I41-R47 CarbonylContact C-O 3.57Å; I41-R47 VanDerWaalsContact CA-O 3.3Å; I41-R47 WeakPolarHBondContact CA-O 3.26Å; V42-R47 HydrophobicContact CG2-CB 3.65Å; V42-R47 HydrophobicContact CG2-CG 3.65Å; V42-R47 PolarHBondContact N-O 3.34Å; V42-R47 PolarHBondContact O-N 2.92Å; K43-R47 HydrophobicContact CB-CB 4.08Å; K43-R47 HydrophobicContact CD-CB 4.12Å; K43-R47 HydrophobicContact CG-CB 4.11Å; K43-R47 VanDerWaalsContact NZ-CZ 3.26Å; R47-I170 HydrophobicContact CG-CG2 3.85Å; R47-L171 WeakPolarHBondContact CA-O 3.38Å; R47-D172 WeakPolarHBondContact CB-OD1 3.37Å; R47-D172 VanDerWaalsContact CG-OD1 3.29Å; R47-D172 WeakPolarHBondContact CG-OD1 3.31Å; R47-D172 IonicContact CZ-OD1 3.97Å; R47-D172 IonicContact CZ-OD2 2.75Å; R47-D172 IonicContact NE-OD1 3.73Å; R47-D172 PolarHBondContact NE-OD1 3.34Å; R47-D172 IonicContact NE-OD2 3.74Å; R47-D172 IonicContact NH2-OD1 3.64Å; R47-D172 PolarHBondContact NH2-OD1 3.39Å; R47-D172 IonicContact NH2-OD2 3.6Å; R47-D172 PolarHBondContact NH2-OD2 2.89Å
48	I	98.8	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.3	173.2	-175.7	172.3	0	0	0	110.6	L30 V39 V40 I41 C54 V163 V165 I170 L171	L30-I48 HydrophobicContact CD1-CB 3.81Å; L30-I48 HydrophobicContact CD1-CG2 4.2Å; V39-I48 HydrophobicContact CG1-CD1 3.57Å; V39-I48 HydrophobicContact CG1-CG1 3.57Å; V40-I48 WeakPolarHBondContact O-CA 3.42Å; I41-I48 HydrophobicContact CD1-CB 3.75Å; I41-I48 HydrophobicContact CD1-CD1 4.14Å; I41-I48 HydrophobicContact CD1-CG1 3.73Å; I48-C54 HydrophobicContact CD1-CB 3.85Å; I48-V163 HydrophobicContact CD1-CG1 3.91Å; I48-V163 HydrophobicContact CG2-CG1 3.98Å; I48-V163 HydrophobicContact CG2-CG2 3.87Å; I48-V165 HydrophobicContact CD1-CG2 4Å; I48-V165 HydrophobicContact CG1-CG1 4.31Å; I48-V165 HydrophobicContact CG1-CG2 3.69Å; I48-V165 HydrophobicContact CG2-CG1 3.93Å; I48-I170 WeakPolarHBondContact O-CA 3.47Å; I48-L171 HydrophobicContact CG2-CB 3.9Å; I48-L171 WeakPolarHBondContact CG2-O 3.34Å; I48-L171 PolarHBondContact N-O 2.98Å; I48-L171 PolarHBondContact O-N 2.97Å; I48-L171 VanDerWaalsContact O-N 3.12Å
49	C	98.4	Very high	97.7	Very high	32 Å²	32	35.8 Å²	35.8	22%	0.216	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-179.2	168.5	58.8	0	0	0	0	110	V40 I170	V40-C49 PolarHBondContact N-O 3.49Å; V40-C49 PolarHBondContact O-N 3.12Å; C49-I170 HydrophobicContact CB-CG1 4.03Å
50	G	98.1	Very high	97.6	Very high	28 Å²	28	35.4 Å²	35.4	29%	0.289	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.4	-144.7	-175.8	0	0	0	0	0	112	D38	D38-G50 WeakPolarHBondContact O-CA 3.47Å
51	T	98.6	Very high	97.4	Very high	57 Å²	57	36 Å²	36	35%	0.35	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.5	-179.5	-60.2	0	0	0	0	111.1	D38 V39 V165 D166	D38-T51 CarbonylContact C-O 3.51Å; D38-T51 VanDerWaalsContact C-O 3.3Å; D38-T51 PolarHBondContact O-N 3.36Å; V39-T51 WeakPolarHBondContact CG2-O 3.25Å; V39-T51 PolarHBondContact N-O 3.34Å; T51-V165 CarbonylContact C-O 3.52Å; T51-V165 WeakPolarHBondContact CA-O 3.4Å; T51-D166 HydrophobicContact CG2-CB 4.18Å; T51-D166 VanDerWaalsContact CG2-OD1 3.29Å; T51-D166 WeakPolarHBondContact CG2-OD1 3.41Å; T51-D166 PolarHBondContact OG1-OD1 2.86Å
52	G	98.6	Very high	97	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.3	-171.6	178.2	0	0	0	0	0	113.6	V39 L88 Y164 V165	V39-G52 VanDerWaalsContact CG2-CA 3.46Å; G52-L88 CarbonylContact C-O 3.47Å; G52-L88 WeakPolarHBondContact CA-O 3.4Å; G52-Y164 CarbonylContact O-C 3.51Å; G52-Y164 WeakPolarHBondContact O-CA 3.2Å; G52-Y164 WeakPolarHBondContact O-CB 3.26Å; G52-V165 PolarHBondContact N-O 3.39Å; G52-V165 PolarHBondContact O-N 3.09Å
53	G	98.6	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	163.3	-177.6	0	0	0	0	0	114.5	M35 G36 L88 V163	M35-G53 CarbonylContact C-O 3.52Å; M35-G53 VanDerWaalsContact CA-O 3.29Å; M35-G53 WeakPolarHBondContact CA-O 3.35Å; G36-G53 PolarHBondContact N-O 3.07Å; G53-L88 PolarHBondContact N-O 2.88Å; G53-V163 CarbonylContact C-O 3.4Å; G53-V163 WeakPolarHBondContact CA-O 3.48Å
54	C	98.8	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.6	170.9	-175.4	0	0	0	0	110.6	N31 H34 M35 I41 I48 V162 V163	N31-C54 PolarHBondContact O-SG 3.05Å; N31-C54 VanDerWaalsContact O-SG 3.36Å; H34-C54 WeakPolarHBondContact O-CA 3.24Å; H34-C54 PolarHBondContact O-SG 3.24Å; M35-C54 HydrophobicContact CB-CB 4.01Å; I41-C54 HydrophobicContact CD1-CB 4.3Å; I48-C54 HydrophobicContact CD1-CB 3.85Å; C54-V162 WeakPolarHBondContact O-CA 3.29Å; C54-V163 PolarHBondContact N-O 2.85Å; C54-V163 PolarHBondContact O-N 2.81Å; C54-V163 VanDerWaalsContact O-N 3.09Å
55	L	98.8	Very high	97.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	150.8	171.2	-60.1	177.3	0	0	0	110.4	N31 H34 A82 Q84 V86 L88 P161 V162	N31-L55 VanDerWaalsContact CB-O 3.24Å; N31-L55 WeakPolarHBondContact CB-O 3.46Å; N31-L55 PolarHBondContact N-O 3.03Å; H34-L55 HydrophobicContact CB-CB 4.17Å; H34-L55 HydrophobicContact CB-CD1 4.27Å; H34-L55 HydrophobicContact CB-CG 4.46Å; H34-L55 PolarHBondContact O-N 3.1Å; L55-A82 HydrophobicContact CD2-CB 3.92Å; L55-Q84 HydrophobicContact CD1-CG 4.3Å; L55-V86 HydrophobicContact CD1-CG1 4.48Å; L55-V86 HydrophobicContact CD2-CG1 4.14Å; L55-L88 HydrophobicContact CD2-CD2 4.42Å; L55-L88 HydrophobicContact CG-CD1 4.38Å; L55-L88 HydrophobicContact CG-CD2 4.28Å; L55-P161 CarbonylContact C-O 3.44Å; L55-P161 WeakPolarHBondContact CA-O 3.46Å; L55-V162 HydrophobicContact CD2-CB 3.73Å; L55-V162 HydrophobicContact CD2-CG2 3.67Å
56	A	98.4	Very high	97.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	160.8	164.3	0	0	0	0	0	111.3	V28 Q29 A58 Y160 P161 F175	V28-A56 HydrophobicContact CG1-CB 4.25Å; Q29-A56 CarbonylContact O-C 3.59Å; Q29-A56 WeakPolarHBondContact O-CA 3.1Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 3.27Å; A56-Y160 WeakPolarHBondContact O-CD1 3.49Å; A56-P161 HydrophobicContact CB-CB 3.96Å; A56-P161 HydrophobicContact CB-CG 3.84Å; A56-P161 PolarHBondContact N-O 2.86Å; A56-F175 HydrophobicContact CB-CE1 4.13Å; A56-F175 HydrophobicContact CB-CE2 4.12Å; A56-F175 HydrophobicContact CB-CZ 3.67Å
57	N	96.9	Very high	97.3	Very high	40 Å²	40	27.5 Å²	27.5	21%	0.214	15%	0.148	C	C	.	.	S	Bend	trans	-80.5	-3.7	179.5	66.3	-14.7	0	0	0	114.6	T27 V28 Q29 N31	T27-N57 PolarHBondContact O-ND2 3.21Å; V28-N57 VanDerWaalsContact CA-OD1 3.26Å; V28-N57 WeakPolarHBondContact CA-OD1 3.39Å; Q29-N57 PolarHBondContact N-OD1 2.95Å; Q29-N57 PolarHBondContact O-N 3.18Å; Q29-N57 PolarHBondContact O-OD1 3.49Å; Q29-N57 VanDerWaalsContact O-OD1 3.13Å; N31-N57 HydrophobicContact CB-CB 4Å
58	A	96.7	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-122.8	131.7	178	0	0	0	0	0	111.6	V28 A56 Y160 I189 F191	V28-A58 HydrophobicContact CB-CB 4.48Å; V28-A58 HydrophobicContact CG1-CB 3.97Å; V28-A58 HydrophobicContact CG2-CB 3.76Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 3.27Å; A58-Y160 VanDerWaalsContact C-CD1 3.48Å; A58-Y160 WeakPolarHBondContact O-CD1 3.13Å; A58-I189 HydrophobicContact CB-CG2 3.77Å; A58-F191 HydrophobicContact CB-CD1 4.09Å; A58-F191 HydrophobicContact CB-CE1 3.71Å; A58-F191 HydrophobicContact CB-CE2 4.42Å; A58-F191 HydrophobicContact CB-CZ 3.9Å
59	P	97.3	Very high	97.3	Very high	24 Å²	24	25.3 Å²	25.3	16%	0.156	14%	0.14	C	C	.	.			trans	-74	159.5	172.5	31.4	-33.1	0	0	0	111.3	H61 T158 V159 Y160	P59-H61 VanDerWaalsContact C-N 3.31Å; P59-H61 WeakPolarHBondContact CG-NE2 3.15Å; P59-H61 PolarHBondContact O-N 3Å; P59-H61 VanDerWaalsContact O-N 3.09Å; P59-T158 HydrophobicContact CB-CG2 3.63Å; P59-V159 WeakPolarHBondContact CA-O 3.44Å; P59-Y160 HydrophobicContact CB-CD1 4.08Å; P59-Y160 HydrophobicContact CB-CE1 3.61Å; P59-Y160 HydrophobicContact CB-CE2 4.07Å; P59-Y160 HydrophobicContact CG-CE1 4.12Å; P59-Y160 VanDerWaalsContact N-CE1 3.33Å
60	L	96.9	Very high	97.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.14	C	C	.	.			trans	-84.6	65.9	175.3	-55	-174.1	0	0	0	111	F67 V81 Y134 H136 V159 P161 I189	L60-F67 HydrophobicContact CD1-CE1 4.2Å; L60-V81 HydrophobicContact CD1-CG1 3.69Å; L60-Y134 HydrophobicContact CD1-CD1 3.7Å; L60-Y134 HydrophobicContact CD1-CG 3.99Å; L60-H136 PolarHBondContact O-CE1 3.09Å; L60-H136 PolarHBondContact O-NE2 3.48Å; L60-V159 HydrophobicContact CB-CG2 4.14Å; L60-V159 HydrophobicContact CD1-CG2 4.09Å; L60-V159 HydrophobicContact CG-CG2 4.34Å; L60-V159 PolarHBondContact N-O 3.24Å; L60-P161 HydrophobicContact CD2-CG 3.89Å; L60-I189 HydrophobicContact CD2-CD1 3.54Å; L60-I189 HydrophobicContact CD2-CG1 3.69Å; L60-I189 HydrophobicContact CD2-CG2 4.2Å
61	H	93.1	Very high	97.4	Very high	81 Å²	81	25 Å²	25	38%	0.375	13%	0.127	S	C	.	.			trans	-78.1	-24.5	-179.3	-74.1	-173.4	0	0	0	114	P59 T158 E192	P59-H61 VanDerWaalsContact C-N 3.31Å; P59-H61 WeakPolarHBondContact CG-NE2 3.15Å; P59-H61 PolarHBondContact O-N 3Å; P59-H61 VanDerWaalsContact O-N 3.09Å; H61-T158 WeakPolarHBondContact NE2-CG2 3.4Å; H61-E192 IonicContact CE1-OE1 3.74Å; H61-E192 IonicContact CG-OE1 2.79Å; H61-E192 IonicContact ND1-OE1 3.46Å; H61-E192 PolarHBondContact ND1-OE1 2.77Å; H61-E192 IonicContact ND1-OE2 3.62Å
62	Q	90.9	Very high	97.4	Very high	38 Å²	38	25.5 Å²	25.5	18%	0.178	13%	0.125	C	C	.	.	S	Bend	trans	-70.8	156.7	176.9	65.3	-159.2	64.8	0	0	112.2	K64 S65 H136 E187 K188	Q62-K64 VanDerWaalsContact C-N 3.29Å; Q62-K64 PolarHBondContact NE2-O 3.08Å; Q62-K64 PolarHBondContact O-N 3.3Å; Q62-S65 WeakPolarHBondContact CG-OG 3.43Å; Q62-H136 PolarHBondContact O-NE2 3.12Å; Q62-E187 PolarHBondContact NE2-O 3.4Å; Q62-K188 PolarHBondContact NE2-O 3.47Å; Q62-K188 PolarHBondContact OE1-O 2.99Å
63	N	92.6	Very high	97.3	Very high	134 Å²	134	27.2 Å²	27.2	72%	0.717	14%	0.137	S	C	*	.	S	Bend	trans	-62.9	-32.5	-176.8	-69.1	-23.7	0	0	0	113.6	D135	N63-D135 CarbonylContact O-C 3.55Å; N63-D135 WeakPolarHBondContact O-CA 3.31Å; N63-D135 WeakPolarHBondContact O-CB 3.49Å
64	K	97.4	Very high	97.2	Very high	87 Å²	87	29.2 Å²	29.2	38%	0.378	15%	0.151	S	C	.	.	S	Bend	trans	-143.9	118.1	-175.1	-72	-172	173.9	-172.5	0	110.1	Q62 D135 G185 F186	Q62-K64 VanDerWaalsContact C-N 3.29Å; Q62-K64 PolarHBondContact NE2-O 3.08Å; Q62-K64 PolarHBondContact O-N 3.3Å; K64-D135 HydrophobicContact CG-CB 3.93Å; K64-G185 VanDerWaalsContact CB-O 3.25Å; K64-G185 WeakPolarHBondContact CB-O 3.23Å; K64-G185 WeakPolarHBondContact CD-O 3.44Å; K64-F186 HydrophobicContact CB-CD1 3.58Å; K64-F186 HydrophobicContact CB-CE1 3.79Å; K64-F186 HydrophobicContact CB-CG 4.04Å; K64-F186 HydrophobicContact CB-CZ 4.45Å; K64-F186 HydrophobicContact CD-CD1 4.46Å; K64-F186 HydrophobicContact CD-CD2 4.27Å; K64-F186 HydrophobicContact CD-CE1 4.24Å; K64-F186 HydrophobicContact CD-CE2 4.08Å; K64-F186 HydrophobicContact CD-CG 4.46Å; K64-F186 HydrophobicContact CD-CZ 4.06Å; K64-F186 HydrophobicContact CG-CD1 4.16Å; K64-F186 HydrophobicContact CG-CE1 3.89Å; K64-F186 HydrophobicContact CG-CZ 4.15Å
65	S	98.2	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.3	-176.5	-54.4	0	0	0	0	111.5	Q62 T133 Y134 F186 E187	Q62-S65 WeakPolarHBondContact CG-OG 3.43Å; S65-T133 WeakPolarHBondContact O-CA 2.88Å; S65-Y134 PolarHBondContact N-O 3.05Å; S65-Y134 PolarHBondContact O-N 3.12Å; S65-F186 WeakPolarHBondContact O-CD1 3.38Å; S65-E187 CarbonylContact C-O 3.45Å; S65-E187 WeakPolarHBondContact CA-O 3.31Å
66	Y	98.6	Very high	97.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.8	172.9	-177.3	-107.2	0	0	0	111.2	E68 I132 T133 F178 P182 P183 E187	Y66-E68 HydrophobicContact CD1-CG 4.47Å; Y66-E68 HydrophobicContact CE1-CG 3.51Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.29Å; Y66-E68 WeakPolarHBondContact OH-CG 3.36Å; Y66-E68 PolarHBondContact OH-OE1 3.45Å; Y66-I132 WeakPolarHBondContact CA-O 3.31Å; Y66-I132 VanDerWaalsContact CD2-O 3.3Å; Y66-I132 WeakPolarHBondContact CD2-O 3.38Å; Y66-T133 HydrophobicContact CD2-CG2 3.77Å; Y66-T133 HydrophobicContact CE2-CG2 4.46Å; Y66-F178 AromaticContact CD1-CD1 3.94Å; Y66-F178 HydrophobicContact CD1-CD1 3.94Å; Y66-F178 AromaticContact CD1-CD2 3.88Å; Y66-F178 HydrophobicContact CD1-CD2 3.88Å; Y66-F178 AromaticContact CD1-CE1 3.9Å; Y66-F178 HydrophobicContact CD1-CE1 3.9Å; Y66-F178 AromaticContact CD1-CE2 3.83Å; Y66-F178 HydrophobicContact CD1-CE2 3.83Å; Y66-F178 AromaticContact CD1-CG 3.92Å; Y66-F178 HydrophobicContact CD1-CG 3.92Å; Y66-F178 AromaticContact CD1-CZ 3.84Å; Y66-F178 HydrophobicContact CD1-CZ 3.84Å; Y66-F178 HydrophobicContact CE1-CB 4.15Å; Y66-F178 AromaticContact CE1-CD1 3.87Å; Y66-F178 HydrophobicContact CE1-CD1 3.87Å; Y66-F178 HydrophobicContact CE1-CD2 4.12Å; Y66-F178 HydrophobicContact CE1-CE1 4.3Å; Y66-F178 HydrophobicContact CE1-CE2 4.5Å; Y66-F178 AromaticContact CE1-CG 3.77Å; Y66-F178 HydrophobicContact CE1-CG 3.77Å; Y66-F178 WeakPolarHBondContact O-CZ 3.38Å; Y66-P182 HydrophobicContact CD1-CB 3.81Å; Y66-P182 HydrophobicContact CD1-CG 3.73Å; Y66-P182 HydrophobicContact CE1-CB 4.39Å; Y66-P182 HydrophobicContact CE1-CG 4.21Å; Y66-P182 HydrophobicContact CG-CB 4.07Å; Y66-P182 HydrophobicContact CG-CG 4.44Å; Y66-P183 HydrophobicContact CD2-CG 4.34Å; Y66-P183 HydrophobicContact CE2-CG 4.28Å; Y66-E187 PolarHBondContact N-O 3.12Å
67	F	98.8	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156	173.9	53.3	-87.3	0	0	0	110.5	L60 F69 V81 I132 P161 F175 I189	L60-F67 HydrophobicContact CD1-CE1 4.2Å; F67-F69 HydrophobicContact CD2-CD2 4.2Å; F67-F69 AromaticContact CD2-CE2 3.55Å; F67-F69 HydrophobicContact CD2-CE2 3.55Å; F67-F69 HydrophobicContact CD2-CZ 4.44Å; F67-F69 AromaticContact CE2-CE2 3.75Å; F67-F69 HydrophobicContact CE2-CE2 3.75Å; F67-V81 HydrophobicContact CZ-CG1 4.2Å; F67-I132 HydrophobicContact CD2-CB 4.1Å; F67-I132 HydrophobicContact CD2-CD1 4.21Å; F67-I132 HydrophobicContact CE1-CB 4.25Å; F67-I132 HydrophobicContact CE1-CG2 3.98Å; F67-I132 HydrophobicContact CE2-CB 3.65Å; F67-I132 HydrophobicContact CE2-CD1 3.44Å; F67-I132 VanDerWaalsContact CE2-CD1 3.44Å; F67-I132 HydrophobicContact CE2-CG1 4.11Å; F67-I132 HydrophobicContact CE2-CG2 3.94Å; F67-I132 HydrophobicContact CZ-CB 3.74Å; F67-I132 HydrophobicContact CZ-CD1 4.05Å; F67-I132 HydrophobicContact CZ-CG2 3.49Å; F67-I132 VanDerWaalsContact CZ-CG2 3.49Å; F67-I132 PolarHBondContact N-O 2.71Å; F67-I132 VanDerWaalsContact N-O 3.16Å; F67-I132 PolarHBondContact O-N 2.77Å; F67-P161 HydrophobicContact CD1-CB 4.48Å; F67-P161 HydrophobicContact CD1-CG 4.17Å; F67-P161 HydrophobicContact CD2-CB 4.15Å; F67-P161 HydrophobicContact CE1-CB 4.27Å; F67-P161 HydrophobicContact CE1-CG 4.12Å; F67-P161 HydrophobicContact CE2-CB 3.9Å; F67-P161 HydrophobicContact CG-CB 4.42Å; F67-P161 HydrophobicContact CG-CG 4.44Å; F67-P161 HydrophobicContact CZ-CB 3.96Å; F67-P161 HydrophobicContact CZ-CG 4.32Å; F67-F175 HydrophobicContact CB-CD1 3.66Å; F67-F175 HydrophobicContact CB-CE1 3.99Å; F67-F175 HydrophobicContact CD2-CE1 4.4Å; F67-F175 HydrophobicContact CG-CD1 4.41Å; F67-F175 HydrophobicContact CG-CE1 4.32Å; F67-I189 HydrophobicContact CB-CD1 4.31Å; F67-I189 HydrophobicContact CD1-CD1 3.99Å; F67-I189 HydrophobicContact CG-CD1 4.4Å
68	E	98.8	Very high	97.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.3	-178.2	-50.3	175.4	146.9	0	0	112.2	Y66 I129 V130 Q174 F178 Y179 H180	Y66-E68 HydrophobicContact CD1-CG 4.47Å; Y66-E68 HydrophobicContact CE1-CG 3.51Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.29Å; Y66-E68 WeakPolarHBondContact OH-CG 3.36Å; Y66-E68 PolarHBondContact OH-OE1 3.45Å; E68-I129 HydrophobicContact CB-CG2 3.88Å; E68-I129 HydrophobicContact CG-CG2 4.21Å; E68-V130 CarbonylContact C-O 3.51Å; E68-V130 VanDerWaalsContact CA-O 3.3Å; E68-V130 WeakPolarHBondContact CA-O 3.24Å; E68-Q174 HydrophobicContact CB-CB 4.09Å; E68-Q174 PolarHBondContact N-O 2.81Å; E68-Q174 PolarHBondContact O-N 3.49Å; E68-F178 HydrophobicContact CG-CD1 3.94Å; E68-Y179 PolarHBondContact OE2-N 3.34Å; E68-H180 WeakPolarHBondContact OE1-CB 3.13Å; E68-H180 IonicContact OE1-CD2 3.33Å; E68-H180 IonicContact OE1-CG 3.34Å; E68-H180 PolarHBondContact OE1-N 2.78Å; E68-H180 VanDerWaalsContact OE1-N 3.1Å
69	F	98.8	Very high	97.3	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.2	167.6	-68	-91.6	0	0	0	109.7	F67 I79 I129 V130 V163 L171 D172 C173 F175	F67-F69 HydrophobicContact CD2-CD2 4.2Å; F67-F69 AromaticContact CD2-CE2 3.55Å; F67-F69 HydrophobicContact CD2-CE2 3.55Å; F67-F69 HydrophobicContact CD2-CZ 4.44Å; F67-F69 AromaticContact CE2-CE2 3.75Å; F67-F69 HydrophobicContact CE2-CE2 3.75Å; F69-I79 HydrophobicContact CB-CD1 4.16Å; F69-I79 HydrophobicContact CB-CG2 4.06Å; F69-I79 HydrophobicContact CD1-CG2 4.07Å; F69-I79 HydrophobicContact CD2-CB 3.89Å; F69-I79 HydrophobicContact CD2-CD1 3.96Å; F69-I79 HydrophobicContact CD2-CG2 3.62Å; F69-I79 HydrophobicContact CE1-CG2 4.41Å; F69-I79 HydrophobicContact CE2-CB 4.1Å; F69-I79 HydrophobicContact CE2-CG2 3.98Å; F69-I79 HydrophobicContact CG-CB 4.42Å; F69-I79 HydrophobicContact CG-CD1 4.4Å; F69-I79 HydrophobicContact CG-CG2 3.65Å; F69-I79 HydrophobicContact CZ-CG2 4.37Å; F69-I129 WeakPolarHBondContact O-CA 3.28Å; F69-V130 PolarHBondContact N-O 2.76Å; F69-V130 PolarHBondContact O-N 3.13Å; F69-V163 HydrophobicContact CD1-CB 4.25Å; F69-V163 HydrophobicContact CD1-CG2 4.24Å; F69-V163 HydrophobicContact CE1-CB 3.57Å; F69-V163 HydrophobicContact CE1-CG1 3.75Å; F69-V163 HydrophobicContact CE1-CG2 4.03Å; F69-V163 HydrophobicContact CZ-CB 3.88Å; F69-V163 HydrophobicContact CZ-CG1 4.22Å; F69-L171 HydrophobicContact CB-CD2 4.34Å; F69-D172 CarbonylContact C-O 3.58Å; F69-D172 VanDerWaalsContact CA-O 3.26Å; F69-D172 WeakPolarHBondContact CA-O 3.19Å; F69-C173 HydrophobicContact CD1-CB 3.67Å; F69-C173 HydrophobicContact CE1-CB 3.39Å; F69-C173 HydrophobicContact CZ-CB 4.17Å; F69-F175 HydrophobicContact CZ-CZ 4.34Å
70	K	98.8	Very high	97.4	Very high	53 Å²	53	28.6 Å²	28.6	23%	0.23	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127	170.6	179.2	167.8	-179.7	169.1	0	109.8	Q72 D128 I129 L171 D172 Y179	K70-Q72 PolarHBondContact O-N 2.78Å; K70-D128 WeakPolarHBondContact CA-O 3.33Å; K70-I129 HydrophobicContact CB-CG1 4.29Å; K70-I129 HydrophobicContact CD-CG1 4.44Å; K70-I129 HydrophobicContact CG-CG1 4.33Å; K70-L171 WeakPolarHBondContact O-CA 3.13Å; K70-D172 HydrophobicContact CB-CB 4.4Å; K70-D172 PolarHBondContact N-O 3.33Å; K70-D172 PolarHBondContact O-N 2.73Å; K70-Y179 HydrophobicContact CB-CE2 4.41Å; K70-Y179 HydrophobicContact CD-CE2 4.32Å
71	I	98.8	Very high	97.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	104.1	176.4	-55.8	165.9	0	0	0	107.3	W77 P124 Q125 G127 D128 V130	I71-W77 HydrophobicContact CD1-CH2 3.76Å; I71-W77 HydrophobicContact CD1-CZ2 3.37Å; I71-W77 HydrophobicContact CG1-CH2 4.47Å; I71-W77 HydrophobicContact CG1-CZ2 4.12Å; I71-P124 HydrophobicContact CD1-CB 3.48Å; I71-P124 VanDerWaalsContact CD1-CB 3.48Å; I71-Q125 WeakPolarHBondContact CD1-O 3.39Å; I71-G127 WeakPolarHBondContact O-CA 3.47Å; I71-G127 PolarHBondContact O-N 2.75Å; I71-D128 HydrophobicContact CD1-CB 4.45Å; I71-D128 PolarHBondContact N-O 3.28Å; I71-V130 HydrophobicContact CD1-CG2 4.02Å
72	Q	98.6	Very high	97.8	Very high	66 Å²	66	24.6 Å²	24.6	31%	0.308	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-39.9	-179.5	-65.7	-75.1	-15.1	0	0	111.3	K70 I170 D172	K70-Q72 PolarHBondContact O-N 2.78Å; Q72-I170 WeakPolarHBondContact CA-O 3.41Å; Q72-I170 HydrophobicContact CB-CB 4.14Å; Q72-I170 HydrophobicContact CB-CG2 3.97Å; Q72-I170 VanDerWaalsContact CB-O 3.32Å; Q72-I170 WeakPolarHBondContact CB-O 3.33Å; Q72-I170 PolarHBondContact N-O 3.25Å; Q72-D172 HydrophobicContact CG-CB 4.18Å; Q72-D172 WeakPolarHBondContact CG-OD2 3.39Å; Q72-D172 PolarHBondContact NE2-OD2 3.36Å
73	S	98.3	Very high	98.1	Very high	38 Å²	38	23.5 Å²	23.5	27%	0.266	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.3	166.7	-171.6	0	0	0	0	108.4	E126 A169 I170	S73-E126 VanDerWaalsContact CA-OE1 3.23Å; S73-E126 WeakPolarHBondContact CA-OE1 3.33Å; S73-E126 PolarHBondContact OG-OE1 3.38Å; S73-A169 WeakPolarHBondContact O-CA 3.46Å; S73-I170 PolarHBondContact N-O 2.79Å; S73-I170 VanDerWaalsContact N-O 3.09Å; S73-I170 PolarHBondContact O-N 3.36Å
74	S	96.1	Very high	98.4	Very high	42 Å²	42	22.3 Å²	22.3	29%	0.294	12%	0.119	S	C	.	.			trans	-82.2	174.9	-179.7	-159.4	0	0	0	0	110	W77 E126	S74-W77 PolarHBondContact OG-NE1 2.87Å; S74-E126 PolarHBondContact N-OE1 3.47Å
75	G	97.2	Very high	98.4	Very high	18 Å²	18	26.4 Å²	26.4	19%	0.186	14%	0.137	C	C	.	.	S	Bend	trans	152.2	-144.3	-167.5	0	0	0	0	0	107
76	V	98.4	Very high	98.4	Very high	34 Å²	34	27 Å²	27	21%	0.206	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.7	173.8	173.7	0	0	0	0	109.1	V91 Y164 V165 D166 D167	V76-V91 HydrophobicContact CG1-CG1 3.66Å; V76-Y164 HydrophobicContact CG1-CE2 4.09Å; V76-V165 CarbonylContact O-C 3.37Å; V76-V165 WeakPolarHBondContact O-CA 3.35Å; V76-D166 HydrophobicContact CB-CB 3.98Å; V76-D166 HydrophobicContact CG1-CB 4.09Å; V76-D166 PolarHBondContact N-O 2.78Å; V76-D166 PolarHBondContact O-N 2.83Å; V76-D166 VanDerWaalsContact O-O 3.05Å; V76-D167 HydrophobicContact CB-CB 4.19Å; V76-D167 HydrophobicContact CG2-CB 3.95Å
77	W	98.8	Very high	98.4	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	169.3	176	58.3	-92	0	0	0	111.6	I71 S74 I79 H104 P124 V130 Y164 V165 A169 L171	I71-W77 HydrophobicContact CD1-CH2 3.76Å; I71-W77 HydrophobicContact CD1-CZ2 3.37Å; I71-W77 HydrophobicContact CG1-CH2 4.47Å; I71-W77 HydrophobicContact CG1-CZ2 4.12Å; S74-W77 PolarHBondContact OG-NE1 2.87Å; W77-I79 HydrophobicContact CZ3-CD1 4.39Å; W77-I79 HydrophobicContact CZ3-CG1 4.12Å; W77-H104 HydrophobicContact CD2-CB 3.86Å; W77-H104 HydrophobicContact CG-CB 3.98Å; W77-H104 HydrophobicContact CZ2-CB 3.96Å; W77-H104 PolarHBondContact O-N 3.07Å; W77-H104 PolarHBondContact O-ND1 3Å; W77-P124 HydrophobicContact CH2-CB 3.84Å; W77-P124 HydrophobicContact CH2-CG 4Å; W77-P124 HydrophobicContact CZ2-CB 3.91Å; W77-P124 HydrophobicContact CZ2-CG 4.44Å; W77-V130 HydrophobicContact CH2-CG2 4.49Å; W77-Y164 WeakPolarHBondContact CA-O 3.5Å; W77-Y164 WeakPolarHBondContact CB-O 3.3Å; W77-Y164 PolarHBondContact O-OH 3.33Å; W77-Y164 VanDerWaalsContact O-OH 3.05Å; W77-V165 HydrophobicContact CB-CG1 4.44Å; W77-A169 HydrophobicContact CB-CB 4.09Å; W77-L171 HydrophobicContact CB-CD1 3.77Å; W77-L171 HydrophobicContact CB-CD2 4.24Å; W77-L171 HydrophobicContact CD2-CD1 4.37Å; W77-L171 HydrophobicContact CD2-CD2 4.29Å; W77-L171 HydrophobicContact CE3-CD2 4.07Å; W77-L171 HydrophobicContact CG-CD1 3.82Å; W77-L171 HydrophobicContact CG-CD2 4.37Å
78	G	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	156.1	166.8	0	0	0	0	0	111.9	L102 V163 Y164	G78-L102 CarbonylContact C-O 3.35Å; G78-L102 WeakPolarHBondContact CA-O 3.31Å; G78-V163 CarbonylContact O-C 3.6Å; G78-V163 WeakPolarHBondContact O-CA 3.47Å; G78-Y164 VanDerWaalsContact N-CZ 3.28Å; G78-Y164 PolarHBondContact N-O 3.27Å; G78-Y164 PolarHBondContact O-N 3.32Å
79	I	98.8	Very high	98.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.2	-172.7	54.9	171.7	0	0	0	109.9	F69 W77 V101 L102 V130 I132 V162 V163 L171	F69-I79 HydrophobicContact CB-CD1 4.16Å; F69-I79 HydrophobicContact CB-CG2 4.06Å; F69-I79 HydrophobicContact CD1-CG2 4.07Å; F69-I79 HydrophobicContact CD2-CB 3.89Å; F69-I79 HydrophobicContact CD2-CD1 3.96Å; F69-I79 HydrophobicContact CD2-CG2 3.62Å; F69-I79 HydrophobicContact CE1-CG2 4.41Å; F69-I79 HydrophobicContact CE2-CB 4.1Å; F69-I79 HydrophobicContact CE2-CG2 3.98Å; F69-I79 HydrophobicContact CG-CB 4.42Å; F69-I79 HydrophobicContact CG-CD1 4.4Å; F69-I79 HydrophobicContact CG-CG2 3.65Å; F69-I79 HydrophobicContact CZ-CG2 4.37Å; W77-I79 HydrophobicContact CZ3-CD1 4.39Å; W77-I79 HydrophobicContact CZ3-CG1 4.12Å; I79-V101 CarbonylContact O-C 3.49Å; I79-V101 VanDerWaalsContact O-CA 3.31Å; I79-V101 WeakPolarHBondContact O-CA 3.29Å; I79-L102 HydrophobicContact CG1-CB 4.36Å; I79-L102 HydrophobicContact CG1-CD2 4.47Å; I79-L102 PolarHBondContact N-O 3.31Å; I79-L102 PolarHBondContact O-N 2.83Å; I79-V130 HydrophobicContact CD1-CB 3.57Å; I79-V130 HydrophobicContact CD1-CG1 3.55Å; I79-V130 HydrophobicContact CD1-CG2 4.35Å; I79-I132 HydrophobicContact CB-CD1 3.9Å; I79-I132 HydrophobicContact CD1-CD1 3.68Å; I79-I132 HydrophobicContact CD1-CG1 4.31Å; I79-I132 HydrophobicContact CG1-CD1 3.75Å; I79-V162 WeakPolarHBondContact CA-O 3.41Å; I79-V163 HydrophobicContact CG2-CB 4.07Å; I79-V163 HydrophobicContact CG2-CG2 3.79Å; I79-L171 HydrophobicContact CG2-CD2 3.68Å
80	G	98.8	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.8	-137	179.7	0	0	0	0	0	112.1	L100 P161 V162	G80-L100 WeakPolarHBondContact CA-O 3.18Å; G80-P161 WeakPolarHBondContact O-CA 3.48Å; G80-V162 PolarHBondContact N-O 2.84Å; G80-V162 PolarHBondContact O-N 2.91Å
81	V	98.8	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147	177.9	-61.9	0	0	0	0	111.7	L60 F67 S99 L100 Y134 I155 V159 Y160	L60-V81 HydrophobicContact CD1-CG1 3.69Å; F67-V81 HydrophobicContact CZ-CG1 4.2Å; V81-S99 WeakPolarHBondContact O-CA 3.48Å; V81-L100 HydrophobicContact CG2-CB 4.07Å; V81-L100 HydrophobicContact CG2-CD2 4.33Å; V81-L100 PolarHBondContact N-O 3.07Å; V81-L100 PolarHBondContact O-N 3.49Å; V81-Y134 HydrophobicContact CG1-CD2 3.94Å; V81-Y134 HydrophobicContact CG1-CE2 4.35Å; V81-Y134 HydrophobicContact CG1-CG 4.07Å; V81-Y134 HydrophobicContact CG2-CD2 4.09Å; V81-Y134 HydrophobicContact CG2-CE2 3.75Å; V81-I155 HydrophobicContact CG2-CD1 4.27Å; V81-I155 HydrophobicContact CG2-CG1 4.31Å; V81-V159 HydrophobicContact CB-CB 4.25Å; V81-V159 HydrophobicContact CB-CG2 4.47Å; V81-Y160 CarbonylContact C-O 3.55Å; V81-Y160 VanDerWaalsContact CA-O 3.29Å; V81-Y160 WeakPolarHBondContact CA-O 3.26Å
82	A	98.8	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.5	173.6	0	0	0	0	0	112.3	L55 V86 N98 V159 Y160 V162	L55-A82 HydrophobicContact CD2-CB 3.92Å; A82-V86 HydrophobicContact CB-CB 3.98Å; A82-V86 HydrophobicContact CB-CG1 3.87Å; A82-V86 HydrophobicContact CB-CG2 4.21Å; A82-N98 CarbonylContact C-O 3.24Å; A82-N98 WeakPolarHBondContact CA-O 3.15Å; A82-N98 VanDerWaalsContact CB-O 3.26Å; A82-N98 WeakPolarHBondContact CB-O 3.34Å; A82-V159 CarbonylContact O-C 3.55Å; A82-V159 WeakPolarHBondContact O-CA 2.97Å; A82-Y160 PolarHBondContact N-O 2.91Å; A82-Y160 PolarHBondContact O-N 3.09Å; A82-V162 HydrophobicContact CB-CB 3.84Å; A82-V162 HydrophobicContact CB-CG1 3.76Å; A82-V162 HydrophobicContact CB-CG2 4.15Å
83	T	98.6	Very high	98.2	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.086	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	163.7	168.8	75.3	0	0	0	0	110.2	K85 V86 N98 I155 V159	T83-K85 PolarHBondContact O-N 2.86Å; T83-K85 PolarHBondContact OG1-N 3.17Å; T83-V86 WeakPolarHBondContact O-CB 3.35Å; T83-V86 VanDerWaalsContact O-CG1 3.25Å; T83-V86 WeakPolarHBondContact O-CG1 3.41Å; T83-V86 PolarHBondContact O-N 2.92Å; T83-V86 VanDerWaalsContact O-N 3.14Å; T83-N98 PolarHBondContact N-O 2.91Å; T83-I155 HydrophobicContact CG2-CD1 4.35Å; T83-V159 HydrophobicContact CG2-CG1 4.15Å
84	Q	97.9	Very high	98.2	Very high	109 Å²	109	34 Å²	34	51%	0.509	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.3	174.5	-71.5	-177.6	-31.9	0	0	114.4	L55 V86 Y160	L55-Q84 HydrophobicContact CD1-CG 4.3Å; Q84-V86 VanDerWaalsContact C-N 3.29Å; Q84-Y160 HydrophobicContact CG-CD2 4.08Å; Q84-Y160 HydrophobicContact CG-CE2 3.54Å; Q84-Y160 PolarHBondContact NE2-OH 3.24Å
85	K	98.2	Very high	98.3	Very high	173 Å²	173	38.1 Å²	38.1	75%	0.752	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.4	178.2	-62.4	179.1	-179.2	177.3	0	113.4	T83	T83-K85 PolarHBondContact O-N 2.86Å; T83-K85 PolarHBondContact OG1-N 3.17Å
86	V	98.4	Very high	98.2	Very high	12 Å²	12	38.7 Å²	38.7	7%	0.073	19%	0.189	C	C	.	.	S	Bend	trans	-62.5	138.9	-178.8	70	0	0	0	0	111.2	L55 A82 T83 Q84 L88 L93 N98	L55-V86 HydrophobicContact CD1-CG1 4.48Å; L55-V86 HydrophobicContact CD2-CG1 4.14Å; A82-V86 HydrophobicContact CB-CB 3.98Å; A82-V86 HydrophobicContact CB-CG1 3.87Å; A82-V86 HydrophobicContact CB-CG2 4.21Å; T83-V86 WeakPolarHBondContact O-CB 3.35Å; T83-V86 VanDerWaalsContact O-CG1 3.25Å; T83-V86 WeakPolarHBondContact O-CG1 3.41Å; T83-V86 PolarHBondContact O-N 2.92Å; T83-V86 VanDerWaalsContact O-N 3.14Å; Q84-V86 VanDerWaalsContact C-N 3.29Å; V86-L88 HydrophobicContact CG1-CD2 3.57Å; V86-L88 HydrophobicContact CG1-CG 3.98Å; V86-L88 PolarHBondContact O-N 2.91Å; V86-L93 HydrophobicContact CG2-CD1 4.42Å; V86-L93 HydrophobicContact CG2-CD2 3.73Å; V86-N98 HydrophobicContact CB-CB 4.04Å
87	N	98.3	Very high	98.2	Very high	81 Å²	81	41 Å²	41	43%	0.433	20%	0.203	S	C	.	.			trans	-79.9	100.7	171.3	-178.3	-0.2	0	0	0	110.2	N89 Q90	N87-N89 PolarHBondContact O-N 2.86Å; N87-N89 PolarHBondContact OD1-N 3.24Å; N87-N89 VanDerWaalsContact OD1-N 3.07Å; N87-Q90 HydrophobicContact CB-CB 4.19Å; N87-Q90 WeakPolarHBondContact O-CB 3.45Å; N87-Q90 PolarHBondContact O-N 3.37Å; N87-Q90 VanDerWaalsContact O-N 3.13Å
88	L	98.6	Very high	98.2	Very high	18 Å²	18	42.5 Å²	42.5	9%	0.094	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9	-178.3	-63.4	173	0	0	0	114.3	H34 G52 G53 L55 V86 Q90 V162	H34-L88 HydrophobicContact CB-CD1 4.41Å; H34-L88 VanDerWaalsContact O-CD1 3.24Å; H34-L88 WeakPolarHBondContact O-CD1 3.49Å; G52-L88 CarbonylContact C-O 3.47Å; G52-L88 WeakPolarHBondContact CA-O 3.4Å; G53-L88 PolarHBondContact N-O 2.88Å; L55-L88 HydrophobicContact CD2-CD2 4.42Å; L55-L88 HydrophobicContact CG-CD1 4.38Å; L55-L88 HydrophobicContact CG-CD2 4.28Å; V86-L88 HydrophobicContact CG1-CD2 3.57Å; V86-L88 HydrophobicContact CG1-CG 3.98Å; V86-L88 PolarHBondContact O-N 2.91Å; L88-Q90 VanDerWaalsContact C-N 3.32Å; L88-V162 HydrophobicContact CD2-CG2 4.17Å
89	N	98.3	Very high	98.2	Very high	89 Å²	89	42.5 Å²	42.5	48%	0.476	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.8	171.4	-68.9	-22.3	0	0	0	112.4	G36 T37 N87	G36-N89 WeakPolarHBondContact CA-OD1 3.29Å; T37-N89 PolarHBondContact N-OD1 2.92Å; T37-N89 PolarHBondContact OG1-ND2 3.02Å; T37-N89 VanDerWaalsContact OG1-ND2 3.1Å; T37-N89 PolarHBondContact OG1-OD1 2.92Å; N87-N89 PolarHBondContact O-N 2.86Å; N87-N89 PolarHBondContact OD1-N 3.24Å; N87-N89 VanDerWaalsContact OD1-N 3.07Å
90	Q	97	Very high	98.2	Very high	53 Å²	53	42.5 Å²	42.5	25%	0.248	21%	0.211	C	C	.	.			trans	-90.3	118.1	-179.4	-169.2	-166.5	-73.3	0	0	110.6	N87 L88 P92 L93	N87-Q90 HydrophobicContact CB-CB 4.19Å; N87-Q90 WeakPolarHBondContact O-CB 3.45Å; N87-Q90 PolarHBondContact O-N 3.37Å; N87-Q90 VanDerWaalsContact O-N 3.13Å; L88-Q90 VanDerWaalsContact C-N 3.32Å; Q90-P92 PolarHBondContact NE2-O 2.92Å; Q90-L93 VanDerWaalsContact O-CD2 3.24Å; Q90-L93 WeakPolarHBondContact O-CD2 3.36Å
91	V	96.9	Very high	98.2	Very high	33 Å²	33	42.5 Å²	42.5	20%	0.2	21%	0.211	C	C	.	.	S	Bend	trans	-118.6	131.1	171.2	179	0	0	0	0	108.9	V76 Y164 D166	V76-V91 HydrophobicContact CG1-CG1 3.66Å; V91-Y164 HydrophobicContact CB-CD2 4.46Å; V91-Y164 HydrophobicContact CG1-CD2 3.7Å; V91-Y164 HydrophobicContact CG1-CE2 3.74Å; V91-Y164 HydrophobicContact CG2-CD2 4.16Å; V91-D166 HydrophobicContact CG1-CB 3.85Å; V91-D166 HydrophobicContact CG2-CB 4.46Å
92	P	98.2	Very high	98.2	Very high	34 Å²	34	42.5 Å²	42.5	22%	0.221	21%	0.211	C	C	.	.	S	Bend	cis	-75.8	157.3	-6.2	32.8	-36.1	0	0	0	113.3	Q90 R95 Y164	Q90-P92 PolarHBondContact NE2-O 2.92Å; P92-R95 WeakPolarHBondContact O-CD 3.31Å; P92-R95 WeakPolarHBondContact O-CG 3.46Å; P92-Y164 HydrophobicContact CB-CE1 4.5Å; P92-Y164 HydrophobicContact CB-CE2 4.15Å; P92-Y164 WeakPolarHBondContact CB-OH 3.38Å
93	L	98.6	Very high	98.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-73.2	175.9	166.4	-64.9	-175.2	0	0	0	111.6	V86 Q90 R95 V101 R103 V162 Y164	V86-L93 HydrophobicContact CG2-CD1 4.42Å; V86-L93 HydrophobicContact CG2-CD2 3.73Å; Q90-L93 VanDerWaalsContact O-CD2 3.24Å; Q90-L93 WeakPolarHBondContact O-CD2 3.36Å; L93-R95 VanDerWaalsContact C-N 3.34Å; L93-V101 HydrophobicContact CB-CG1 3.99Å; L93-V101 HydrophobicContact CB-CG2 4Å; L93-V101 HydrophobicContact CD1-CG1 4.48Å; L93-R103 PolarHBondContact O-NE 2.62Å; L93-R103 PolarHBondContact O-NH2 2.83Å; L93-V162 HydrophobicContact CD1-CG1 4.27Å; L93-V162 HydrophobicContact CD1-CG2 3.53Å; L93-Y164 HydrophobicContact CB-CD1 3.64Å; L93-Y164 HydrophobicContact CB-CE1 3.8Å; L93-Y164 HydrophobicContact CD1-CD1 3.78Å; L93-Y164 HydrophobicContact CD1-CG 4.37Å; L93-Y164 HydrophobicContact CG-CD1 3.56Å; L93-Y164 HydrophobicContact CG-CE1 4.23Å; L93-Y164 HydrophobicContact CG-CG 4.1Å
94	G	98.1	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.			trans	80.7	10.8	-177.5	0	0	0	0	0	114.1	S99 H110 N111 N112	G94-S99 WeakPolarHBondContact CA-OG 3.31Å; G94-S99 PolarHBondContact N-OG 3.08Å; G94-H110 CarbonylContact O-C 3.56Å; G94-H110 WeakPolarHBondContact O-CA 3.45Å; G94-N111 PolarHBondContact O-N 3.37Å; G94-N112 PolarHBondContact O-N 3.05Å
95	R	97.9	Very high	98.1	Very high	129 Å²	129	44 Å²	44	49%	0.487	22%	0.218	S	C	.	.	S	Bend	trans	-89.2	-8.3	175.8	-49.6	177.2	65.1	154.6	0.1	113.3	P92 L93 N112	P92-R95 WeakPolarHBondContact O-CD 3.31Å; P92-R95 WeakPolarHBondContact O-CG 3.46Å; L93-R95 VanDerWaalsContact C-N 3.34Å; R95-N112 HydrophobicContact CB-CB 4.39Å
96	D	96.4	Very high	98.1	Very high	31 Å²	31	35.8 Å²	35.8	17%	0.166	18%	0.182	C	C	.	.	S	Bend	trans	-126.8	177.8	179.8	71	5.4	0	0	0	111.1	N98 S99 N111	D96-N98 PolarHBondContact O-N 3.25Å; D96-N98 WeakPolarHBondContact OD1-CA 3.48Å; D96-N98 WeakPolarHBondContact OD1-CB 3.42Å; D96-N98 PolarHBondContact OD1-N 2.82Å; D96-N98 PolarHBondContact OD2-ND2 2.98Å; D96-S99 PolarHBondContact OD1-N 3.43Å; D96-S99 PolarHBondContact OD1-OG 2.87Å; D96-N111 VanDerWaalsContact O-CA 3.31Å; D96-N111 WeakPolarHBondContact O-CA 3.37Å; D96-N111 PolarHBondContact O-N 2.82Å
97	T	97.8	Very high	98.1	Very high	81 Å²	81	35.2 Å²	35.2	50%	0.497	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-2.7	177.3	57.5	0	0	0	0	113.5	H110 N111	T97-H110 PolarHBondContact O-CE1 2.81Å; T97-N111 HydrophobicContact CG2-CB 4.25Å; T97-N111 WeakPolarHBondContact CG2-OD1 3.43Å
98	N	98.5	Very high	98.1	Very high	34 Å²	34	31.4 Å²	31.4	18%	0.182	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.4	-172.5	-56.2	-56.7	0	0	0	112.5	A82 T83 V86 D96	A82-N98 CarbonylContact C-O 3.24Å; A82-N98 WeakPolarHBondContact CA-O 3.15Å; A82-N98 VanDerWaalsContact CB-O 3.26Å; A82-N98 WeakPolarHBondContact CB-O 3.34Å; T83-N98 PolarHBondContact N-O 2.91Å; V86-N98 HydrophobicContact CB-CB 4.04Å; D96-N98 PolarHBondContact O-N 3.25Å; D96-N98 WeakPolarHBondContact OD1-CA 3.48Å; D96-N98 WeakPolarHBondContact OD1-CB 3.42Å; D96-N98 PolarHBondContact OD1-N 2.82Å; D96-N98 PolarHBondContact OD2-ND2 2.98Å
99	S	98.6	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.2	-176.9	52.2	0	0	0	0	112.5	V81 G94 D96 H110	V81-S99 WeakPolarHBondContact O-CA 3.48Å; G94-S99 WeakPolarHBondContact CA-OG 3.31Å; G94-S99 PolarHBondContact N-OG 3.08Å; D96-S99 PolarHBondContact OD1-N 3.43Å; D96-S99 PolarHBondContact OD1-OG 2.87Å; S99-H110 PolarHBondContact O-ND1 2.8Å
100	L	98.8	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.1	170.1	167.2	67.6	0	0	0	107.1	G80 V81 V108 Y109 H110 M139 A152 S153 I155	G80-L100 WeakPolarHBondContact CA-O 3.18Å; V81-L100 HydrophobicContact CG2-CB 4.07Å; V81-L100 HydrophobicContact CG2-CD2 4.33Å; V81-L100 PolarHBondContact N-O 3.07Å; V81-L100 PolarHBondContact O-N 3.49Å; L100-V108 HydrophobicContact CD1-CG1 3.7Å; L100-Y109 WeakPolarHBondContact CA-O 3.4Å; L100-H110 HydrophobicContact CB-CB 4.27Å; L100-H110 HydrophobicContact CD1-CB 3.73Å; L100-M139 HydrophobicContact CD1-CE 4.19Å; L100-M139 HydrophobicContact CD2-CB 3.75Å; L100-M139 HydrophobicContact CD2-CE 4.1Å; L100-M139 HydrophobicContact CD2-SD 4.16Å; L100-M139 HydrophobicContact CG-CE 3.76Å; L100-M139 HydrophobicContact CG-SD 4.07Å; L100-A152 HydrophobicContact CD1-CB 3.94Å; L100-A152 HydrophobicContact CD2-CB 4.36Å; L100-S153 WeakPolarHBondContact CD2-O 3.25Å; L100-I155 HydrophobicContact CB-CG2 3.66Å; L100-I155 HydrophobicContact CD2-CG2 4.32Å
101	V	98.8	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.7	-170.1	-63.2	0	0	0	0	112.3	I79 L93 R103 V108 Y109 V162 Y164	I79-V101 CarbonylContact O-C 3.49Å; I79-V101 VanDerWaalsContact O-CA 3.31Å; I79-V101 WeakPolarHBondContact O-CA 3.29Å; L93-V101 HydrophobicContact CB-CG1 3.99Å; L93-V101 HydrophobicContact CB-CG2 4Å; L93-V101 HydrophobicContact CD1-CG1 4.48Å; V101-R103 HydrophobicContact CG2-CG 4.31Å; V101-V108 CarbonylContact O-C 3.58Å; V101-V108 WeakPolarHBondContact O-CA 3.35Å; V101-Y109 PolarHBondContact N-O 3.23Å; V101-Y109 PolarHBondContact O-N 2.89Å; V101-V162 HydrophobicContact CG1-CG1 3.8Å; V101-Y164 HydrophobicContact CG2-CE1 4.14Å
102	L	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.2	156.3	172.5	67	0	0	0	108.3	G78 I79 S107 V108 L118 V130 L141	G78-L102 CarbonylContact C-O 3.35Å; G78-L102 WeakPolarHBondContact CA-O 3.31Å; I79-L102 HydrophobicContact CG1-CB 4.36Å; I79-L102 HydrophobicContact CG1-CD2 4.47Å; I79-L102 PolarHBondContact N-O 3.31Å; I79-L102 PolarHBondContact O-N 2.83Å; L102-S107 CarbonylContact C-O 3.56Å; L102-S107 WeakPolarHBondContact CA-O 3.41Å; L102-V108 HydrophobicContact CD1-CG2 4.11Å; L102-L118 HydrophobicContact CD1-CD1 3.88Å; L102-L118 HydrophobicContact CD1-CG 4.1Å; L102-L118 HydrophobicContact CD2-CD1 4.16Å; L102-V130 HydrophobicContact CD2-CG1 3.81Å; L102-L141 HydrophobicContact CB-CD1 4.2Å; L102-L141 HydrophobicContact CB-CD2 4.07Å; L102-L141 HydrophobicContact CD1-CD1 3.83Å; L102-L141 HydrophobicContact CD2-CD1 4.04Å; L102-L141 HydrophobicContact CD2-CD2 4.09Å; L102-L141 HydrophobicContact CG-CD1 4.23Å
103	R	98.5	Very high	98.2	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.106	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	161.4	174.9	-57.3	-173.3	171.3	163	0.3	110.7	L93 V101 D105 G106 S107 Y164	L93-R103 PolarHBondContact O-NE 2.62Å; L93-R103 PolarHBondContact O-NH2 2.83Å; V101-R103 HydrophobicContact CG2-CG 4.31Å; R103-D105 WeakPolarHBondContact CB-OD1 3.46Å; R103-D105 PolarHBondContact O-N 3.48Å; R103-D105 VanDerWaalsContact O-N 3.09Å; R103-G106 PolarHBondContact O-N 2.97Å; R103-S107 PolarHBondContact N-O 2.91Å; R103-Y164 WeakPolarHBondContact CG-OH 3.46Å
104	H	97.9	Very high	98.2	Very high	71 Å²	71	41 Å²	41	33%	0.329	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-27	178.6	63.9	-82.8	0	0	0	115	W77 G106	W77-H104 HydrophobicContact CD2-CB 3.86Å; W77-H104 HydrophobicContact CG-CB 3.98Å; W77-H104 HydrophobicContact CZ2-CB 3.96Å; W77-H104 PolarHBondContact O-N 3.07Å; W77-H104 PolarHBondContact O-ND1 3Å; H104-G106 PolarHBondContact O-N 2.9Å
105	D	97.3	Very high	98.2	Very high	57 Å²	57	45 Å²	45	31%	0.305	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.9	177.2	78.9	-32.4	0	0	0	113.7	R103 S107 R117 L123	R103-D105 WeakPolarHBondContact CB-OD1 3.46Å; R103-D105 PolarHBondContact O-N 3.48Å; R103-D105 VanDerWaalsContact O-N 3.09Å; D105-S107 VanDerWaalsContact C-N 3.29Å; D105-S107 PolarHBondContact O-N 3.03Å; D105-S107 VanDerWaalsContact OD1-CB 3.29Å; D105-S107 WeakPolarHBondContact OD1-CB 3.3Å; D105-S107 PolarHBondContact OD1-N 2.92Å; D105-S107 VanDerWaalsContact OD1-N 3.08Å; D105-S107 PolarHBondContact OD1-OG 3.33Å; D105-S107 PolarHBondContact OD2-OG 3.29Å; D105-R117 PolarHBondContact O-NH1 2.88Å; D105-R117 IonicContact OD2-NH1 3.65Å; D105-R117 PolarHBondContact OD2-NH1 2.91Å; D105-R117 IonicContact OD2-NH2 2.66Å; D105-L123 VanDerWaalsContact O-CD2 3.23Å; D105-L123 WeakPolarHBondContact O-CD2 3.43Å
106	G	97.9	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	82.3	-0.1	-179.7	0	0	0	0	0	114.7	R103 H104 R117 L118	R103-G106 PolarHBondContact O-N 2.97Å; H104-G106 PolarHBondContact O-N 2.9Å; G106-R117 WeakPolarHBondContact O-CA 3.2Å; G106-L118 PolarHBondContact O-N 2.94Å
107	S	98.4	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.8	179.9	69.9	0	0	0	0	112.5	L102 R103 D105 Y109	L102-S107 CarbonylContact C-O 3.56Å; L102-S107 WeakPolarHBondContact CA-O 3.41Å; R103-S107 PolarHBondContact N-O 2.91Å; D105-S107 VanDerWaalsContact C-N 3.29Å; D105-S107 PolarHBondContact O-N 3.03Å; D105-S107 VanDerWaalsContact OD1-CB 3.29Å; D105-S107 WeakPolarHBondContact OD1-CB 3.3Å; D105-S107 PolarHBondContact OD1-N 2.92Å; D105-S107 VanDerWaalsContact OD1-N 3.08Å; D105-S107 PolarHBondContact OD1-OG 3.33Å; D105-S107 PolarHBondContact OD2-OG 3.29Å; S107-Y109 VanDerWaalsContact CB-CE2 3.48Å; S107-Y109 VanDerWaalsContact OG-CD2 3.24Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.49Å; S107-Y109 WeakPolarHBondContact OG-CE2 3.33Å
108	V	98.7	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.7	175.6	-175.6	0	0	0	0	108.9	L100 V101 L102 E114 K115 N116 M139 L141 A152	L100-V108 HydrophobicContact CD1-CG1 3.7Å; V101-V108 CarbonylContact O-C 3.58Å; V101-V108 WeakPolarHBondContact O-CA 3.35Å; L102-V108 HydrophobicContact CD1-CG2 4.11Å; V108-E114 CarbonylContact O-C 3.58Å; V108-E114 WeakPolarHBondContact O-CA 3.38Å; V108-K115 PolarHBondContact O-N 3.02Å; V108-N116 HydrophobicContact CB-CB 4.3Å; V108-N116 HydrophobicContact CG2-CB 4.38Å; V108-N116 PolarHBondContact N-O 2.86Å; V108-M139 HydrophobicContact CG1-CE 3.71Å; V108-L141 HydrophobicContact CG2-CD1 3.61Å; V108-A152 HydrophobicContact CG1-CB 3.67Å
109	Y	98.7	Very high	98.1	Very high	45 Å²	45	42.5 Å²	42.5	18%	0.176	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.5	-173.7	-89.7	-101.2	0	0	0	112.7	L100 V101 S107 E113 E114	L100-Y109 WeakPolarHBondContact CA-O 3.4Å; V101-Y109 PolarHBondContact N-O 3.23Å; V101-Y109 PolarHBondContact O-N 2.89Å; S107-Y109 VanDerWaalsContact CB-CE2 3.48Å; S107-Y109 VanDerWaalsContact OG-CD2 3.24Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.49Å; S107-Y109 WeakPolarHBondContact OG-CE2 3.33Å; Y109-E113 WeakPolarHBondContact CA-O 3.2Å; Y109-E114 HydrophobicContact CE1-CB 4.22Å; Y109-E114 HydrophobicContact CE2-CB 3.89Å; Y109-E114 HydrophobicContact CE2-CG 3.96Å; Y109-E114 PolarHBondContact OH-OE2 3.48Å
110	H	98.6	Very high	97.7	Very high	36 Å²	36	46.9 Å²	46.9	17%	0.167	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	138	168.2	170.2	64.4	0	0	0	109.5	G94 T97 S99 L100 N112 E113 K115 I155	G94-H110 CarbonylContact O-C 3.56Å; G94-H110 WeakPolarHBondContact O-CA 3.45Å; T97-H110 PolarHBondContact O-CE1 2.81Å; S99-H110 PolarHBondContact O-ND1 2.8Å; L100-H110 HydrophobicContact CB-CB 4.27Å; L100-H110 HydrophobicContact CD1-CB 3.73Å; H110-N112 PolarHBondContact O-N 2.83Å; H110-E113 PolarHBondContact N-O 3.42Å; H110-E113 VanDerWaalsContact N-O 3.08Å; H110-E113 PolarHBondContact O-N 3.44Å; H110-K115 HydrophobicContact CB-CG 4Å; H110-K115 WeakPolarHBondContact O-CE 3.35Å; H110-I155 WeakPolarHBondContact CE1-CG2 3.34Å; H110-I155 WeakPolarHBondContact ND1-CG2 3.41Å
111	N	98.1	Very high	97.4	Very high	69 Å²	69	53.7 Å²	53.7	37%	0.369	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	37.4	-178.7	-166.5	45.1	0	0	0	113.5	G94 D96 T97 E113	G94-N111 PolarHBondContact O-N 3.37Å; D96-N111 VanDerWaalsContact O-CA 3.31Å; D96-N111 WeakPolarHBondContact O-CA 3.37Å; D96-N111 PolarHBondContact O-N 2.82Å; T97-N111 HydrophobicContact CG2-CB 4.25Å; T97-N111 WeakPolarHBondContact CG2-OD1 3.43Å; N111-E113 PolarHBondContact O-N 3.23Å
112	N	97.8	Very high	97.2	Very high	93 Å²	93	54.8 Å²	54.8	50%	0.497	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	19.1	-177.3	-157	55.8	0	0	0	114.7	G94 R95 H110	G94-N112 PolarHBondContact O-N 3.05Å; R95-N112 HydrophobicContact CB-CB 4.39Å; H110-N112 PolarHBondContact O-N 2.83Å
113	E	98.3	Very high	97.1	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.2	175.6	-67.7	175.8	178	0	0	110.1	Y109 H110 N111 K115	Y109-E113 WeakPolarHBondContact CA-O 3.2Å; H110-E113 PolarHBondContact N-O 3.42Å; H110-E113 VanDerWaalsContact N-O 3.08Å; H110-E113 PolarHBondContact O-N 3.44Å; N111-E113 PolarHBondContact O-N 3.23Å; E113-K115 HydrophobicContact CB-CD 4.45Å; E113-K115 PolarHBondContact O-N 3.04Å; E113-K115 IonicContact OE2-NZ 3.58Å; E113-K115 PolarHBondContact OE2-NZ 2.79Å
114	E	98.4	Very high	97.1	Very high	83 Å²	83	56.8 Å²	56.8	39%	0.388	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.3	170.6	-169.8	167.2	138.6	0	0	109.1	V108 Y109 R117	V108-E114 CarbonylContact O-C 3.58Å; V108-E114 WeakPolarHBondContact O-CA 3.38Å; Y109-E114 HydrophobicContact CE1-CB 4.22Å; Y109-E114 HydrophobicContact CE2-CB 3.89Å; Y109-E114 HydrophobicContact CE2-CG 3.96Å; Y109-E114 PolarHBondContact OH-OE2 3.48Å; E114-R117 VanDerWaalsContact CD-NH2 3.35Å; E114-R117 IonicContact OE1-CZ 3.74Å; E114-R117 IonicContact OE1-NE 2.73Å; E114-R117 PolarHBondContact OE1-NE 2.79Å; E114-R117 IonicContact OE1-NH2 3.25Å; E114-R117 PolarHBondContact OE1-NH2 2.78Å; E114-R117 IonicContact OE2-CZ 2.76Å; E114-R117 IonicContact OE2-NE 3.7Å; E114-R117 IonicContact OE2-NH2 3.38Å; E114-R117 PolarHBondContact OE2-NH2 2.72Å
115	K	98.3	Very high	97	Very high	84 Å²	84	58.9 Å²	58.9	37%	0.365	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-34	-179.2	-58.7	-52.8	-176.6	-179.7	0	112.1	V108 H110 E113 A152	V108-K115 PolarHBondContact O-N 3.02Å; H110-K115 HydrophobicContact CB-CG 4Å; H110-K115 WeakPolarHBondContact O-CE 3.35Å; E113-K115 HydrophobicContact CB-CD 4.45Å; E113-K115 PolarHBondContact O-N 3.04Å; E113-K115 IonicContact OE2-NZ 3.58Å; E113-K115 PolarHBondContact OE2-NZ 2.79Å; K115-A152 HydrophobicContact CB-CB 4.03Å
116	N	97.8	Very high	97.1	Very high	54 Å²	54	61.6 Å²	61.6	29%	0.289	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	173.9	177.3	-147.4	-31	0	0	0	109.9	V108 C150 P151	V108-N116 HydrophobicContact CB-CB 4.3Å; V108-N116 HydrophobicContact CG2-CB 4.38Å; V108-N116 PolarHBondContact N-O 2.86Å; N116-C150 VanDerWaalsContact CB-SG 3.58Å; N116-C150 PolarHBondContact OD1-SG 2.96Å; N116-P151 PolarHBondContact ND2-O 2.85Å
117	R	97.8	Very high	97.1	Very high	104 Å²	104	63.5 Å²	63.5	39%	0.392	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	137.1	178.1	-178.4	176.9	-71.7	-90.1	3.2	111.1	D105 G106 E114 C150	D105-R117 PolarHBondContact O-NH1 2.88Å; D105-R117 IonicContact OD2-NH1 3.65Å; D105-R117 PolarHBondContact OD2-NH1 2.91Å; D105-R117 IonicContact OD2-NH2 2.66Å; G106-R117 WeakPolarHBondContact O-CA 3.2Å; E114-R117 VanDerWaalsContact CD-NH2 3.35Å; E114-R117 IonicContact OE1-CZ 3.74Å; E114-R117 IonicContact OE1-NE 2.73Å; E114-R117 PolarHBondContact OE1-NE 2.79Å; E114-R117 IonicContact OE1-NH2 3.25Å; E114-R117 PolarHBondContact OE1-NH2 2.78Å; E114-R117 IonicContact OE2-CZ 2.76Å; E114-R117 IonicContact OE2-NE 3.7Å; E114-R117 IonicContact OE2-NH2 3.38Å; E114-R117 PolarHBondContact OE2-NH2 2.72Å; R117-C150 PolarHBondContact O-SG 2.84Å; R117-C150 VanDerWaalsContact O-SG 3.39Å
118	L	97.1	Very high	97.1	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.037	34%	0.344	C	S	.	.			trans	-63.2	145	171.1	-67.5	-179.2	0	0	0	110.8	L102 G106 A120 P124 L141 M148 C150	L102-L118 HydrophobicContact CD1-CD1 3.88Å; L102-L118 HydrophobicContact CD1-CG 4.1Å; L102-L118 HydrophobicContact CD2-CD1 4.16Å; G106-L118 PolarHBondContact O-N 2.94Å; L118-A120 PolarHBondContact O-N 3.29Å; L118-P124 HydrophobicContact CD1-CG 3.91Å; L118-L141 HydrophobicContact CD2-CB 4.35Å; L118-L141 HydrophobicContact CD2-CD1 3.9Å; L118-L141 HydrophobicContact CG-CD1 4.29Å; L118-M148 HydrophobicContact CD2-CB 3.52Å; L118-M148 HydrophobicContact CD2-CE 4.26Å; L118-M148 HydrophobicContact CD2-CG 3.73Å; L118-C150 HydrophobicContact CD2-CB 4Å
119	P	94.6	Very high	97.1	Very high	58 Å²	58	65.7 Å²	65.7	38%	0.377	35%	0.348	S	S	.	.			trans	-53.2	141.6	171.7	-26.1	35.3	0	0	0	111.9	N121 S122 M148	P119-N121 VanDerWaalsContact CB-OD1 3.22Å; P119-N121 WeakPolarHBondContact CB-OD1 3.22Å; P119-N121 PolarHBondContact O-N 3.33Å; P119-N121 VanDerWaalsContact O-N 3.07Å; P119-S122 CarbonylContact O-C 3.3Å; P119-S122 WeakPolarHBondContact O-CA 3.34Å; P119-S122 PolarHBondContact O-N 2.77Å; P119-M148 HydrophobicContact CG-CE 4.43Å
120	A	90.9	Very high	97.1	Very high	92 Å²	92	63.7 Å²	63.7	76%	0.76	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-59	-25.9	-176	0	0	0	0	0	114	L118 S122	L118-A120 PolarHBondContact O-N 3.29Å; A120-S122 VanDerWaalsContact C-N 3.25Å; A120-S122 PolarHBondContact O-N 3.16Å
121	N	92.6	Very high	97.1	Very high	143 Å²	143	62 Å²	62	77%	0.765	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-85.5	9.2	175.5	66.4	-18.4	0	0	0	113.4	P119	P119-N121 VanDerWaalsContact CB-OD1 3.22Å; P119-N121 WeakPolarHBondContact CB-OD1 3.22Å; P119-N121 PolarHBondContact O-N 3.33Å; P119-N121 VanDerWaalsContact O-N 3.07Å
122	S	95	Very high	97.2	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.154	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-137.7	33.9	-177.9	-58.5	0	0	0	0	111.4	P119 A120	P119-S122 CarbonylContact O-C 3.3Å; P119-S122 WeakPolarHBondContact O-CA 3.34Å; P119-S122 PolarHBondContact O-N 2.77Å; A120-S122 VanDerWaalsContact C-N 3.25Å; A120-S122 PolarHBondContact O-N 3.16Å
123	L	96.8	Very high	97.2	Very high	66 Å²	66	54.5 Å²	54.5	35%	0.346	29%	0.293	S	S	.	.			trans	-69.6	125.5	170.9	-68.2	179.5	0	0	0	109.8	D105 Q125	D105-L123 VanDerWaalsContact O-CD2 3.23Å; D105-L123 WeakPolarHBondContact O-CD2 3.43Å; L123-Q125 PolarHBondContact O-N 2.85Å; L123-Q125 PolarHBondContact O-NE2 2.81Å; L123-Q125 VanDerWaalsContact O-NE2 3.12Å
124	P	97.5	Very high	97.2	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.026	27%	0.27	C	S	.	.			trans	-60.6	135.3	-178.6	-23.3	34.5	0	0	0	112.3	I71 W77 L118 V130 L143	I71-P124 HydrophobicContact CD1-CB 3.48Å; I71-P124 VanDerWaalsContact CD1-CB 3.48Å; W77-P124 HydrophobicContact CH2-CB 3.84Å; W77-P124 HydrophobicContact CH2-CG 4Å; W77-P124 HydrophobicContact CZ2-CB 3.91Å; W77-P124 HydrophobicContact CZ2-CG 4.44Å; L118-P124 HydrophobicContact CD1-CG 3.91Å; P124-V130 HydrophobicContact CB-CG2 4Å; P124-V130 HydrophobicContact CG-CG2 4.19Å; P124-L143 HydrophobicContact CB-CD1 4.03Å; P124-L143 HydrophobicContact CG-CD1 4.15Å
125	Q	97.6	Very high	97.2	Very high	116 Å²	116	47.5 Å²	47.5	54%	0.542	26%	0.262	S	S	.	.			trans	-114.3	170.4	-179.1	-60.1	-58.1	-48	0	0	111.9	I71 L123 G127 D128	I71-Q125 WeakPolarHBondContact CD1-O 3.39Å; L123-Q125 PolarHBondContact O-N 2.85Å; L123-Q125 PolarHBondContact O-NE2 2.81Å; L123-Q125 VanDerWaalsContact O-NE2 3.12Å; Q125-G127 PolarHBondContact O-N 3.01Å; Q125-D128 PolarHBondContact N-OD2 2.84Å; Q125-D128 VanDerWaalsContact O-CB 3.31Å; Q125-D128 WeakPolarHBondContact O-CB 3.43Å; Q125-D128 PolarHBondContact O-N 2.93Å; Q125-D128 VanDerWaalsContact O-N 3.13Å
126	E	98.2	Very high	97	Very high	114 Å²	114	47.3 Å²	47.3	53%	0.533	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.5	168.8	-64.8	-168.6	155.2	0	0	111.2	S73 S74 D128	S73-E126 VanDerWaalsContact CA-OE1 3.23Å; S73-E126 WeakPolarHBondContact CA-OE1 3.33Å; S73-E126 PolarHBondContact OG-OE1 3.38Å; S74-E126 PolarHBondContact N-OE1 3.47Å; E126-D128 VanDerWaalsContact C-N 3.31Å
127	G	98.3	Very high	96.9	Very high	39 Å²	39	50 Å²	50	40%	0.402	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-21.5	-176.1	0	0	0	0	0	114.3	I71 Q125	I71-G127 WeakPolarHBondContact O-CA 3.47Å; I71-G127 PolarHBondContact O-N 2.75Å; Q125-G127 PolarHBondContact O-N 3.01Å
128	D	98.7	Very high	96.9	Very high	30 Å²	30	48.8 Å²	48.8	16%	0.16	28%	0.279	C	S	.	.			trans	-67.6	152.8	-180	-74.5	-24.3	0	0	0	112.3	K70 I71 Q125 E126 L143 N144	K70-D128 WeakPolarHBondContact CA-O 3.33Å; I71-D128 HydrophobicContact CD1-CB 4.45Å; I71-D128 PolarHBondContact N-O 3.28Å; Q125-D128 PolarHBondContact N-OD2 2.84Å; Q125-D128 VanDerWaalsContact O-CB 3.31Å; Q125-D128 WeakPolarHBondContact O-CB 3.43Å; Q125-D128 PolarHBondContact O-N 2.93Å; Q125-D128 VanDerWaalsContact O-N 3.13Å; E126-D128 VanDerWaalsContact C-N 3.31Å; D128-L143 HydrophobicContact CB-CD1 3.83Å; D128-N144 WeakPolarHBondContact CA-OD1 3.24Å; D128-N144 PolarHBondContact OD1-ND2 3.43Å
129	I	98.8	Very high	97	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.6	174.1	-62	145.2	0	0	0	108.1	E68 F69 K70 N144 Y179	E68-I129 HydrophobicContact CB-CG2 3.88Å; E68-I129 HydrophobicContact CG-CG2 4.21Å; F69-I129 WeakPolarHBondContact O-CA 3.28Å; K70-I129 HydrophobicContact CB-CG1 4.29Å; K70-I129 HydrophobicContact CD-CG1 4.44Å; K70-I129 HydrophobicContact CG-CG1 4.33Å; I129-N144 PolarHBondContact N-OD1 2.94Å; I129-N144 PolarHBondContact O-N 2.8Å; I129-Y179 VanDerWaalsContact CD1-CB 3.46Å; I129-Y179 HydrophobicContact CD1-CD1 3.92Å; I129-Y179 HydrophobicContact CD1-CD2 3.96Å; I129-Y179 HydrophobicContact CD1-CG 3.52Å; I129-Y179 HydrophobicContact CG1-CD2 4.03Å; I129-Y179 HydrophobicContact CG1-CG 4.12Å; I129-Y179 HydrophobicContact CG2-CD2 4.31Å
130	V	98.8	Very high	97.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.9	175.4	-166.9	0	0	0	0	108.9	E68 F69 I71 W77 I79 L102 P124 Y142 L143	E68-V130 CarbonylContact C-O 3.51Å; E68-V130 VanDerWaalsContact CA-O 3.3Å; E68-V130 WeakPolarHBondContact CA-O 3.24Å; F69-V130 PolarHBondContact N-O 2.76Å; F69-V130 PolarHBondContact O-N 3.13Å; I71-V130 HydrophobicContact CD1-CG2 4.02Å; W77-V130 HydrophobicContact CH2-CG2 4.49Å; I79-V130 HydrophobicContact CD1-CB 3.57Å; I79-V130 HydrophobicContact CD1-CG1 3.55Å; I79-V130 HydrophobicContact CD1-CG2 4.35Å; L102-V130 HydrophobicContact CD2-CG1 3.81Å; P124-V130 HydrophobicContact CB-CG2 4Å; P124-V130 HydrophobicContact CG-CG2 4.19Å; V130-Y142 CarbonylContact C-O 3.55Å; V130-Y142 WeakPolarHBondContact CA-O 3.34Å; V130-Y142 WeakPolarHBondContact CG1-O 3.47Å; V130-L143 HydrophobicContact CG2-CD1 4.03Å
131	G	98.8	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.5	175.1	0	0	0	0	0	111.2	Y142	G131-Y142 PolarHBondContact N-O 2.57Å; G131-Y142 PolarHBondContact O-N 3.2Å
132	I	98.8	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.7	177.4	-64.4	164.1	0	0	0	108.8	Y66 F67 I79 M139 L141	Y66-I132 WeakPolarHBondContact CA-O 3.31Å; Y66-I132 VanDerWaalsContact CD2-O 3.3Å; Y66-I132 WeakPolarHBondContact CD2-O 3.38Å; F67-I132 HydrophobicContact CD2-CB 4.1Å; F67-I132 HydrophobicContact CD2-CD1 4.21Å; F67-I132 HydrophobicContact CE1-CB 4.25Å; F67-I132 HydrophobicContact CE1-CG2 3.98Å; F67-I132 HydrophobicContact CE2-CB 3.65Å; F67-I132 HydrophobicContact CE2-CD1 3.44Å; F67-I132 VanDerWaalsContact CE2-CD1 3.44Å; F67-I132 HydrophobicContact CE2-CG1 4.11Å; F67-I132 HydrophobicContact CE2-CG2 3.94Å; F67-I132 HydrophobicContact CZ-CB 3.74Å; F67-I132 HydrophobicContact CZ-CD1 4.05Å; F67-I132 HydrophobicContact CZ-CG2 3.49Å; F67-I132 VanDerWaalsContact CZ-CG2 3.49Å; F67-I132 PolarHBondContact N-O 2.71Å; F67-I132 VanDerWaalsContact N-O 3.16Å; F67-I132 PolarHBondContact O-N 2.77Å; I79-I132 HydrophobicContact CB-CD1 3.9Å; I79-I132 HydrophobicContact CD1-CD1 3.68Å; I79-I132 HydrophobicContact CD1-CG1 4.31Å; I79-I132 HydrophobicContact CG1-CD1 3.75Å; I132-M139 HydrophobicContact CG2-CG 3.72Å; I132-M139 HydrophobicContact CG2-SD 4.19Å; I132-L141 HydrophobicContact CG1-CD2 4.13Å
133	T	98.8	Very high	98	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.2	164.8	52.6	0	0	0	0	110	S65 Y66 M139 N140 Y142 P183 F186	S65-T133 WeakPolarHBondContact O-CA 2.88Å; Y66-T133 HydrophobicContact CD2-CG2 3.77Å; Y66-T133 HydrophobicContact CE2-CG2 4.46Å; T133-M139 CarbonylContact O-C 3.54Å; T133-M139 WeakPolarHBondContact O-CA 3.36Å; T133-N140 PolarHBondContact N-O 2.76Å; T133-N140 PolarHBondContact O-N 2.92Å; T133-N140 WeakPolarHBondContact OG1-CB 3.39Å; T133-N140 PolarHBondContact OG1-O 2.78Å; T133-Y142 HydrophobicContact CG2-CD2 4.25Å; T133-Y142 HydrophobicContact CG2-CE2 3.55Å; T133-P183 HydrophobicContact CG2-CB 4.28Å; T133-P183 HydrophobicContact CG2-CG 3.72Å; T133-F186 VanDerWaalsContact CB-CE1 3.49Å; T133-F186 HydrophobicContact CG2-CB 4.26Å; T133-F186 HydrophobicContact CG2-CD1 3.69Å; T133-F186 HydrophobicContact CG2-CD2 3.97Å; T133-F186 HydrophobicContact CG2-CE1 4Å; T133-F186 HydrophobicContact CG2-CE2 4.21Å; T133-F186 HydrophobicContact CG2-CG 3.7Å; T133-F186 HydrophobicContact CG2-CZ 4.23Å
134	Y	98.6	Very high	98	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.8	173.4	-169.4	-97.6	0	0	0	110.6	L60 S65 V81 H136 E138 M139 I155 V159	L60-Y134 HydrophobicContact CD1-CD1 3.7Å; L60-Y134 HydrophobicContact CD1-CG 3.99Å; S65-Y134 PolarHBondContact N-O 3.05Å; S65-Y134 PolarHBondContact O-N 3.12Å; V81-Y134 HydrophobicContact CG1-CD2 3.94Å; V81-Y134 HydrophobicContact CG1-CE2 4.35Å; V81-Y134 HydrophobicContact CG1-CG 4.07Å; V81-Y134 HydrophobicContact CG2-CD2 4.09Å; V81-Y134 HydrophobicContact CG2-CE2 3.75Å; Y134-H136 HydrophobicContact CE1-CB 4.44Å; Y134-H136 AromaticContact CE1-ND1 3.78Å; Y134-E138 WeakPolarHBondContact CA-O 3.3Å; Y134-M139 HydrophobicContact CD2-CB 3.86Å; Y134-M139 HydrophobicContact CD2-CG 4.38Å; Y134-M139 HydrophobicContact CE2-CB 4.34Å; Y134-I155 PolarHBondContact OH-N 3.24Å; Y134-I155 PolarHBondContact OH-O 3.39Å; Y134-V159 HydrophobicContact CD1-CG2 4.23Å; Y134-V159 HydrophobicContact CE1-CG2 3.6Å
135	D	97.3	Very high	98.1	Very high	38 Å²	38	38 Å²	38	20%	0.203	21%	0.21	C	C	.	.			trans	-129.8	19.4	-177.7	71.8	0	0	0	0	114.9	N63 K64 V137 E138 F186	N63-D135 CarbonylContact O-C 3.55Å; N63-D135 WeakPolarHBondContact O-CA 3.31Å; N63-D135 WeakPolarHBondContact O-CB 3.49Å; K64-D135 HydrophobicContact CG-CB 3.93Å; D135-V137 PolarHBondContact O-N 2.66Å; D135-V137 VanDerWaalsContact O-N 3.08Å; D135-V137 WeakPolarHBondContact OD1-CA 3.12Å; D135-V137 WeakPolarHBondContact OD1-CB 3.46Å; D135-V137 PolarHBondContact OD1-N 3.25Å; D135-E138 PolarHBondContact N-O 3.35Å; D135-E138 PolarHBondContact OD1-N 3.05Å; D135-F186 HydrophobicContact CB-CE1 3.98Å; D135-F186 HydrophobicContact CB-CZ 4.14Å
136	H	93.5	Very high	98.1	Very high	81 Å²	81	39.3 Å²	39.3	38%	0.375	21%	0.214	S	C	.	.	S	Bend	trans	69.6	-17.3	-173.8	-53.4	-81.4	0	0	0	116	L60 Q62 Y134	L60-H136 PolarHBondContact O-CE1 3.09Å; L60-H136 PolarHBondContact O-NE2 3.48Å; Q62-H136 PolarHBondContact O-NE2 3.12Å; Y134-H136 HydrophobicContact CE1-CB 4.44Å; Y134-H136 AromaticContact CE1-ND1 3.78Å
137	V	96.7	Very high	98.1	Very high	110 Å²	110	35.9 Å²	35.9	67%	0.667	20%	0.199	S	C	*	.	S	Bend	trans	-88.8	-47.3	170.8	-178.6	0	0	0	0	109.4	D135 G154	D135-V137 PolarHBondContact O-N 2.66Å; D135-V137 VanDerWaalsContact O-N 3.08Å; D135-V137 WeakPolarHBondContact OD1-CA 3.12Å; D135-V137 WeakPolarHBondContact OD1-CB 3.46Å; D135-V137 PolarHBondContact OD1-N 3.25Å; V137-G154 PolarHBondContact O-N 2.61Å
138	E	97.6	Very high	98.1	Very high	79 Å²	79	35 Å²	35	37%	0.369	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.9	-179.3	61.5	-179.6	-149.3	0	0	113.7	Y134 D135 P151 A152	Y134-E138 WeakPolarHBondContact CA-O 3.3Å; D135-E138 PolarHBondContact N-O 3.35Å; D135-E138 PolarHBondContact OD1-N 3.05Å; E138-P151 HydrophobicContact CB-CB 4.42Å; E138-P151 HydrophobicContact CG-CB 4.48Å; E138-P151 WeakPolarHBondContact OE2-CB 3.27Å; E138-A152 CarbonylContact C-O 3.56Å; E138-A152 VanDerWaalsContact CA-O 3.31Å; E138-A152 WeakPolarHBondContact CA-O 3.29Å; E138-A152 WeakPolarHBondContact CB-O 3.18Å
139	M	98.6	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.7	162	-173.3	-176.8	71.5	0	0	108	L100 V108 I132 T133 Y134 L141 P151 A152	L100-M139 HydrophobicContact CD1-CE 4.19Å; L100-M139 HydrophobicContact CD2-CB 3.75Å; L100-M139 HydrophobicContact CD2-CE 4.1Å; L100-M139 HydrophobicContact CD2-SD 4.16Å; L100-M139 HydrophobicContact CG-CE 3.76Å; L100-M139 HydrophobicContact CG-SD 4.07Å; V108-M139 HydrophobicContact CG1-CE 3.71Å; I132-M139 HydrophobicContact CG2-CG 3.72Å; I132-M139 HydrophobicContact CG2-SD 4.19Å; T133-M139 CarbonylContact O-C 3.54Å; T133-M139 WeakPolarHBondContact O-CA 3.36Å; Y134-M139 HydrophobicContact CD2-CB 3.86Å; Y134-M139 HydrophobicContact CD2-CG 4.38Å; Y134-M139 HydrophobicContact CE2-CB 4.34Å; M139-L141 HydrophobicContact CE-CD2 4.24Å; M139-P151 CarbonylContact O-C 3.55Å; M139-P151 VanDerWaalsContact O-CA 3.27Å; M139-P151 WeakPolarHBondContact O-CA 3.34Å; M139-A152 PolarHBondContact N-O 2.81Å; M139-A152 PolarHBondContact O-N 2.82Å
140	N	98.4	Very high	97.6	Very high	11 Å²	11	40 Å²	40	6%	0.059	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.3	173.8	-175.2	50.7	0	0	0	111.4	T133 N147 C150 P151	T133-N140 PolarHBondContact N-O 2.76Å; T133-N140 PolarHBondContact O-N 2.92Å; T133-N140 WeakPolarHBondContact OG1-CB 3.39Å; T133-N140 PolarHBondContact OG1-O 2.78Å; N140-N147 PolarHBondContact ND2-ND2 2.93Å; N140-N147 PolarHBondContact ND2-OD1 2.82Å; N140-C150 PolarHBondContact OD1-N 2.79Å; N140-P151 HydrophobicContact CB-CB 4.47Å
141	L	98.4	Very high	97.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.3	-166.1	-58.3	175	0	0	0	111.9	L102 V108 L118 I132 M139 M148 C150	L102-L141 HydrophobicContact CB-CD1 4.2Å; L102-L141 HydrophobicContact CB-CD2 4.07Å; L102-L141 HydrophobicContact CD1-CD1 3.83Å; L102-L141 HydrophobicContact CD2-CD1 4.04Å; L102-L141 HydrophobicContact CD2-CD2 4.09Å; L102-L141 HydrophobicContact CG-CD1 4.23Å; V108-L141 HydrophobicContact CG2-CD1 3.61Å; L118-L141 HydrophobicContact CD2-CB 4.35Å; L118-L141 HydrophobicContact CD2-CD1 3.9Å; L118-L141 HydrophobicContact CG-CD1 4.29Å; I132-L141 HydrophobicContact CG1-CD2 4.13Å; M139-L141 HydrophobicContact CE-CD2 4.24Å; L141-M148 HydrophobicContact CB-CB 4.35Å; L141-M148 WeakPolarHBondContact O-CB 3.27Å; L141-M148 PolarHBondContact O-N 3.15Å; L141-C150 HydrophobicContact CD1-CB 4.41Å
142	Y	98.6	Very high	97.5	Very high	25 Å²	25	42.4 Å²	42.4	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139	176	-65.6	-106.4	0	0	0	109.2	V130 G131 T133 K146 N147 P183	V130-Y142 CarbonylContact C-O 3.55Å; V130-Y142 WeakPolarHBondContact CA-O 3.34Å; V130-Y142 WeakPolarHBondContact CG1-O 3.47Å; G131-Y142 PolarHBondContact N-O 2.57Å; G131-Y142 PolarHBondContact O-N 3.2Å; T133-Y142 HydrophobicContact CG2-CD2 4.25Å; T133-Y142 HydrophobicContact CG2-CE2 3.55Å; Y142-K146 CarbonylContact C-O 3.55Å; Y142-K146 WeakPolarHBondContact CA-O 3.46Å; Y142-N147 VanDerWaalsContact CD1-CA 3.5Å; Y142-N147 HydrophobicContact CD1-CB 3.91Å; Y142-N147 HydrophobicContact CE1-CB 3.5Å; Y142-N147 PolarHBondContact OH-ND2 3.09Å; Y142-P183 HydrophobicContact CD1-CG 4.13Å; Y142-P183 HydrophobicContact CD2-CG 4.38Å; Y142-P183 HydrophobicContact CE1-CB 4.2Å; Y142-P183 HydrophobicContact CE1-CG 3.45Å; Y142-P183 VanDerWaalsContact CE1-CG 3.45Å; Y142-P183 HydrophobicContact CE2-CG 3.78Å; Y142-P183 WeakPolarHBondContact OH-CB 3.25Å; Y142-P183 WeakPolarHBondContact OH-CG 3.47Å
143	L	98.7	Very high	97.4	Very high	20 Å²	20	47 Å²	47	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.6	173	-173.5	64.1	0	0	0	108.6	P124 D128 V130 G145 K146 M148	P124-L143 HydrophobicContact CB-CD1 4.03Å; P124-L143 HydrophobicContact CG-CD1 4.15Å; D128-L143 HydrophobicContact CB-CD1 3.83Å; V130-L143 HydrophobicContact CG2-CD1 4.03Å; L143-G145 PolarHBondContact O-N 3.08Å; L143-K146 PolarHBondContact N-O 3.31Å; L143-K146 WeakPolarHBondContact O-CB 3.38Å; L143-K146 PolarHBondContact O-N 3.44Å; L143-M148 HydrophobicContact CB-CG 4.05Å; L143-M148 HydrophobicContact CB-SD 3.66Å
144	N	98.4	Very high	97.4	Very high	72 Å²	72	48 Å²	48	39%	0.385	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.5	-176.8	-59.1	-38.8	0	0	0	112.8	D128 I129 K146 H180	D128-N144 WeakPolarHBondContact CA-OD1 3.24Å; D128-N144 PolarHBondContact OD1-ND2 3.43Å; I129-N144 PolarHBondContact N-OD1 2.94Å; I129-N144 PolarHBondContact O-N 2.8Å; N144-K146 PolarHBondContact O-N 2.93Å; N144-H180 VanDerWaalsContact C-NE2 3.29Å; N144-H180 VanDerWaalsContact CA-NE2 3.34Å; N144-H180 WeakPolarHBondContact CA-NE2 3.48Å; N144-H180 PolarHBondContact O-CE1 2.96Å
145	G	98	Very high	97.3	Very high	36 Å²	36	48.5 Å²	48.5	37%	0.371	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-6.7	-178.7	0	0	0	0	0	115.4	L143 H180	L143-G145 PolarHBondContact O-N 3.08Å; G145-H180 PolarHBondContact N-CD2 3.4Å
146	K	98.1	Very high	97.2	Very high	144 Å²	144	57.9 Å²	57.9	63%	0.626	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	128.7	176.6	-175.5	-177.1	174.7	-173.4	0	110.5	Y142 L143 N144 M148	Y142-K146 CarbonylContact C-O 3.55Å; Y142-K146 WeakPolarHBondContact CA-O 3.46Å; L143-K146 PolarHBondContact N-O 3.31Å; L143-K146 WeakPolarHBondContact O-CB 3.38Å; L143-K146 PolarHBondContact O-N 3.44Å; N144-K146 PolarHBondContact O-N 2.93Å; K146-M148 PolarHBondContact O-N 2.86Å
147	N	98.1	Very high	97.3	Very high	41 Å²	41	56.8 Å²	56.8	22%	0.219	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.1	173.2	-166.3	-22.6	0	0	0	110.3	N140 Y142 H149	N140-N147 PolarHBondContact ND2-ND2 2.93Å; N140-N147 PolarHBondContact ND2-OD1 2.82Å; Y142-N147 VanDerWaalsContact CD1-CA 3.5Å; Y142-N147 HydrophobicContact CD1-CB 3.91Å; Y142-N147 HydrophobicContact CE1-CB 3.5Å; Y142-N147 PolarHBondContact OH-ND2 3.09Å; N147-H149 PolarHBondContact OD1-N 2.73Å
148	M	97.8	Very high	97.3	Very high	20 Å²	20	55.1 Å²	55.1	10%	0.099	30%	0.302	C	S	.	.			trans	-87.1	-7.5	179.2	-60.2	-49.8	-55.8	0	0	113.5	L118 P119 L141 L143 K146 C150	L118-M148 HydrophobicContact CD2-CB 3.52Å; L118-M148 HydrophobicContact CD2-CE 4.26Å; L118-M148 HydrophobicContact CD2-CG 3.73Å; P119-M148 HydrophobicContact CG-CE 4.43Å; L141-M148 HydrophobicContact CB-CB 4.35Å; L141-M148 WeakPolarHBondContact O-CB 3.27Å; L141-M148 PolarHBondContact O-N 3.15Å; L143-M148 HydrophobicContact CB-CG 4.05Å; L143-M148 HydrophobicContact CB-SD 3.66Å; K146-M148 PolarHBondContact O-N 2.86Å; M148-C150 HydrophobicContact CB-CB 4.26Å; M148-C150 PolarHBondContact O-N 2.81Å
149	H	94.8	Very high	97.4	Very high	150 Å²	150	51.4 Å²	51.4	69%	0.694	29%	0.285	S	S	*	.			trans	50.3	42.6	-177.7	-62.5	-74.2	0	0	0	112.2	N147 P151	N147-H149 PolarHBondContact OD1-N 2.73Å; H149-P151 VanDerWaalsContact O-CD 3.31Å; H149-P151 WeakPolarHBondContact O-CD 3.46Å
150	C	93.1	Very high	97.4	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	29%	0.29	C	S	.	.			trans	-123	63.2	-174.5	-169.9	0	0	0	0	109.5	N116 R117 L118 N140 L141 M148	N116-C150 VanDerWaalsContact CB-SG 3.58Å; N116-C150 PolarHBondContact OD1-SG 2.96Å; R117-C150 PolarHBondContact O-SG 2.84Å; R117-C150 VanDerWaalsContact O-SG 3.39Å; L118-C150 HydrophobicContact CD2-CB 4Å; N140-C150 PolarHBondContact OD1-N 2.79Å; L141-C150 HydrophobicContact CD1-CB 4.41Å; M148-C150 HydrophobicContact CB-CB 4.26Å; M148-C150 PolarHBondContact O-N 2.81Å
151	P	96.9	Very high	97.4	Very high	49 Å²	49	52.3 Å²	52.3	32%	0.318	29%	0.288	S	S	.	.			trans	-73.7	150.8	-177.9	31.6	-35.7	0	0	0	111.3	N116 E138 M139 N140 H149	N116-P151 PolarHBondContact ND2-O 2.85Å; E138-P151 HydrophobicContact CB-CB 4.42Å; E138-P151 HydrophobicContact CG-CB 4.48Å; E138-P151 WeakPolarHBondContact OE2-CB 3.27Å; M139-P151 CarbonylContact O-C 3.55Å; M139-P151 VanDerWaalsContact O-CA 3.27Å; M139-P151 WeakPolarHBondContact O-CA 3.34Å; N140-P151 HydrophobicContact CB-CB 4.47Å; H149-P151 VanDerWaalsContact O-CD 3.31Å; H149-P151 WeakPolarHBondContact O-CD 3.46Å
152	A	97.9	Very high	97.4	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.5	168.5	0	0	0	0	0	109.6	L100 V108 K115 E138 M139 G154	L100-A152 HydrophobicContact CD1-CB 3.94Å; L100-A152 HydrophobicContact CD2-CB 4.36Å; V108-A152 HydrophobicContact CG1-CB 3.67Å; K115-A152 HydrophobicContact CB-CB 4.03Å; E138-A152 CarbonylContact C-O 3.56Å; E138-A152 VanDerWaalsContact CA-O 3.31Å; E138-A152 WeakPolarHBondContact CA-O 3.29Å; E138-A152 WeakPolarHBondContact CB-O 3.18Å; M139-A152 PolarHBondContact N-O 2.81Å; M139-A152 PolarHBondContact O-N 2.82Å; A152-G154 PolarHBondContact O-N 3.1Å
153	S	98.2	Very high	97.4	Very high	97 Å²	97	51.1 Å²	51.1	68%	0.678	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	136.1	-179.5	-54.6	0	0	0	0	111.7	L100	L100-S153 WeakPolarHBondContact CD2-O 3.25Å
154	G	97.2	Very high	97.4	Very high	25 Å²	25	50.2 Å²	50.2	26%	0.258	28%	0.278	S	S	.	.			trans	-61.9	163.1	179.1	0	0	0	0	0	113.1	V137 A152	V137-G154 PolarHBondContact O-N 2.61Å; A152-G154 PolarHBondContact O-N 3.1Å
155	I	97.9	Very high	97.4	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.067	26%	0.26	C	S	.	.			trans	-105.2	158.3	179.6	67.9	176.2	0	0	0	110.7	V81 T83 L100 H110 Y134 V159	V81-I155 HydrophobicContact CG2-CD1 4.27Å; V81-I155 HydrophobicContact CG2-CG1 4.31Å; T83-I155 HydrophobicContact CG2-CD1 4.35Å; L100-I155 HydrophobicContact CB-CG2 3.66Å; L100-I155 HydrophobicContact CD2-CG2 4.32Å; H110-I155 WeakPolarHBondContact CE1-CG2 3.34Å; H110-I155 WeakPolarHBondContact ND1-CG2 3.41Å; Y134-I155 PolarHBondContact OH-N 3.24Å; Y134-I155 PolarHBondContact OH-O 3.39Å; I155-V159 HydrophobicContact CD1-CG1 3.79Å; I155-V159 HydrophobicContact CG1-CG1 3.53Å
156	R	94.9	Very high	97.5	Very high	235 Å²	235	47.4 Å²	47.4	89%	0.887	26%	0.255	S	S	*	.	S	Bend	trans	-81.9	150.4	-177.4	-63.2	-177	-179	-175.9	0.5	112.1
157	G	95.5	Very high	97.4	Very high	58 Å²	58	45.7 Å²	45.7	60%	0.598	25%	0.253	S	S	*	.	S	Bend	trans	95.4	178	175.4	0	0	0	0	0	113	V159	G157-V159 PolarHBondContact O-N 3.25Å
158	T	97	Very high	97.4	Very high	74 Å²	74	48.3 Å²	48.3	45%	0.454	27%	0.274	S	S	.	.	S	Bend	trans	-69.4	119.4	174.4	-55	0	0	0	0	109.5	P59 H61 Y160	P59-T158 HydrophobicContact CB-CG2 3.63Å; H61-T158 WeakPolarHBondContact NE2-CG2 3.4Å; T158-Y160 HydrophobicContact CG2-CE2 3.91Å
159	V	98.3	Very high	97.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.8	-177.9	-63.6	0	0	0	0	112.1	P59 L60 V81 A82 T83 Y134 I155 G157	P59-V159 WeakPolarHBondContact CA-O 3.44Å; L60-V159 HydrophobicContact CB-CG2 4.14Å; L60-V159 HydrophobicContact CD1-CG2 4.09Å; L60-V159 HydrophobicContact CG-CG2 4.34Å; L60-V159 PolarHBondContact N-O 3.24Å; V81-V159 HydrophobicContact CB-CB 4.25Å; V81-V159 HydrophobicContact CB-CG2 4.47Å; A82-V159 CarbonylContact O-C 3.55Å; A82-V159 WeakPolarHBondContact O-CA 2.97Å; T83-V159 HydrophobicContact CG2-CG1 4.15Å; Y134-V159 HydrophobicContact CD1-CG2 4.23Å; Y134-V159 HydrophobicContact CE1-CG2 3.6Å; I155-V159 HydrophobicContact CD1-CG1 3.79Å; I155-V159 HydrophobicContact CG1-CG1 3.53Å; G157-V159 PolarHBondContact O-N 3.25Å
160	Y	98.7	Very high	97.6	Very high	30 Å²	30	42.5 Å²	42.5	12%	0.118	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.2	178.9	-62.7	-105.1	0	0	0	107.9	A56 A58 P59 V81 A82 Q84 T158 V162	A56-Y160 WeakPolarHBondContact O-CD1 3.49Å; A58-Y160 VanDerWaalsContact C-CD1 3.48Å; A58-Y160 WeakPolarHBondContact O-CD1 3.13Å; P59-Y160 HydrophobicContact CB-CD1 4.08Å; P59-Y160 HydrophobicContact CB-CE1 3.61Å; P59-Y160 HydrophobicContact CB-CE2 4.07Å; P59-Y160 HydrophobicContact CG-CE1 4.12Å; P59-Y160 VanDerWaalsContact N-CE1 3.33Å; V81-Y160 CarbonylContact C-O 3.55Å; V81-Y160 VanDerWaalsContact CA-O 3.29Å; V81-Y160 WeakPolarHBondContact CA-O 3.26Å; A82-Y160 PolarHBondContact N-O 2.91Å; A82-Y160 PolarHBondContact O-N 3.09Å; Q84-Y160 HydrophobicContact CG-CD2 4.08Å; Q84-Y160 HydrophobicContact CG-CE2 3.54Å; Q84-Y160 PolarHBondContact NE2-OH 3.24Å; T158-Y160 HydrophobicContact CG2-CE2 3.91Å; Y160-V162 PolarHBondContact O-N 2.84Å
161	P	98.7	Very high	97.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	135.1	162.2	-18.9	28	0	0	0	109.9	L55 A56 L60 F67 G80 F175 I189	L55-P161 CarbonylContact C-O 3.44Å; L55-P161 WeakPolarHBondContact CA-O 3.46Å; A56-P161 HydrophobicContact CB-CB 3.96Å; A56-P161 HydrophobicContact CB-CG 3.84Å; A56-P161 PolarHBondContact N-O 2.86Å; L60-P161 HydrophobicContact CD2-CG 3.89Å; F67-P161 HydrophobicContact CD1-CB 4.48Å; F67-P161 HydrophobicContact CD1-CG 4.17Å; F67-P161 HydrophobicContact CD2-CB 4.15Å; F67-P161 HydrophobicContact CE1-CB 4.27Å; F67-P161 HydrophobicContact CE1-CG 4.12Å; F67-P161 HydrophobicContact CE2-CB 3.9Å; F67-P161 HydrophobicContact CG-CB 4.42Å; F67-P161 HydrophobicContact CG-CG 4.44Å; F67-P161 HydrophobicContact CZ-CB 3.96Å; F67-P161 HydrophobicContact CZ-CG 4.32Å; G80-P161 WeakPolarHBondContact O-CA 3.48Å; P161-F175 HydrophobicContact CB-CE1 3.72Å; P161-F175 HydrophobicContact CB-CZ 4.22Å; P161-F175 HydrophobicContact CG-CE1 3.88Å; P161-I189 HydrophobicContact CG-CD1 3.29Å
162	V	98.9	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.9	175.9	71.2	0	0	0	0	109.9	C54 L55 I79 G80 A82 L88 L93 V101 Y160	C54-V162 WeakPolarHBondContact O-CA 3.29Å; L55-V162 HydrophobicContact CD2-CB 3.73Å; L55-V162 HydrophobicContact CD2-CG2 3.67Å; I79-V162 WeakPolarHBondContact CA-O 3.41Å; G80-V162 PolarHBondContact N-O 2.84Å; G80-V162 PolarHBondContact O-N 2.91Å; A82-V162 HydrophobicContact CB-CB 3.84Å; A82-V162 HydrophobicContact CB-CG1 3.76Å; A82-V162 HydrophobicContact CB-CG2 4.15Å; L88-V162 HydrophobicContact CD2-CG2 4.17Å; L93-V162 HydrophobicContact CD1-CG1 4.27Å; L93-V162 HydrophobicContact CD1-CG2 3.53Å; V101-V162 HydrophobicContact CG1-CG1 3.8Å; Y160-V162 PolarHBondContact O-N 2.84Å
163	V	98.9	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144	168.9	54	0	0	0	0	108.5	L30 I48 G53 C54 F69 G78 I79 L171	L30-V163 HydrophobicContact CD1-CG1 4.46Å; L30-V163 HydrophobicContact CD2-CG1 3.66Å; I48-V163 HydrophobicContact CD1-CG1 3.91Å; I48-V163 HydrophobicContact CG2-CG1 3.98Å; I48-V163 HydrophobicContact CG2-CG2 3.87Å; G53-V163 CarbonylContact C-O 3.4Å; G53-V163 WeakPolarHBondContact CA-O 3.48Å; C54-V163 PolarHBondContact N-O 2.85Å; C54-V163 PolarHBondContact O-N 2.81Å; C54-V163 VanDerWaalsContact O-N 3.09Å; F69-V163 HydrophobicContact CD1-CB 4.25Å; F69-V163 HydrophobicContact CD1-CG2 4.24Å; F69-V163 HydrophobicContact CE1-CB 3.57Å; F69-V163 HydrophobicContact CE1-CG1 3.75Å; F69-V163 HydrophobicContact CE1-CG2 4.03Å; F69-V163 HydrophobicContact CZ-CB 3.88Å; F69-V163 HydrophobicContact CZ-CG1 4.22Å; G78-V163 CarbonylContact O-C 3.6Å; G78-V163 WeakPolarHBondContact O-CA 3.47Å; I79-V163 HydrophobicContact CG2-CB 4.07Å; I79-V163 HydrophobicContact CG2-CG2 3.79Å; V163-L171 HydrophobicContact CG2-CB 4.34Å; V163-L171 HydrophobicContact CG2-CD2 3.71Å
164	Y	98.8	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.9	165.5	74.4	-95.4	0	0	0	111.1	G52 V76 W77 G78 V91 P92 L93 V101 R103	G52-Y164 CarbonylContact O-C 3.51Å; G52-Y164 WeakPolarHBondContact O-CA 3.2Å; G52-Y164 WeakPolarHBondContact O-CB 3.26Å; V76-Y164 HydrophobicContact CG1-CE2 4.09Å; W77-Y164 WeakPolarHBondContact CA-O 3.5Å; W77-Y164 WeakPolarHBondContact CB-O 3.3Å; W77-Y164 PolarHBondContact O-OH 3.33Å; W77-Y164 VanDerWaalsContact O-OH 3.05Å; G78-Y164 VanDerWaalsContact N-CZ 3.28Å; G78-Y164 PolarHBondContact N-O 3.27Å; G78-Y164 PolarHBondContact O-N 3.32Å; V91-Y164 HydrophobicContact CB-CD2 4.46Å; V91-Y164 HydrophobicContact CG1-CD2 3.7Å; V91-Y164 HydrophobicContact CG1-CE2 3.74Å; V91-Y164 HydrophobicContact CG2-CD2 4.16Å; P92-Y164 HydrophobicContact CB-CE1 4.5Å; P92-Y164 HydrophobicContact CB-CE2 4.15Å; P92-Y164 WeakPolarHBondContact CB-OH 3.38Å; L93-Y164 HydrophobicContact CB-CD1 3.64Å; L93-Y164 HydrophobicContact CB-CE1 3.8Å; L93-Y164 HydrophobicContact CD1-CD1 3.78Å; L93-Y164 HydrophobicContact CD1-CG 4.37Å; L93-Y164 HydrophobicContact CG-CD1 3.56Å; L93-Y164 HydrophobicContact CG-CE1 4.23Å; L93-Y164 HydrophobicContact CG-CG 4.1Å; V101-Y164 HydrophobicContact CG2-CE1 4.14Å; R103-Y164 WeakPolarHBondContact CG-OH 3.46Å
165	V	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.4	179.2	-64	0	0	0	0	109.8	I48 T51 G52 V76 W77 A169 L171	I48-V165 HydrophobicContact CD1-CG2 4Å; I48-V165 HydrophobicContact CG1-CG1 4.31Å; I48-V165 HydrophobicContact CG1-CG2 3.69Å; I48-V165 HydrophobicContact CG2-CG1 3.93Å; T51-V165 CarbonylContact C-O 3.52Å; T51-V165 WeakPolarHBondContact CA-O 3.4Å; G52-V165 PolarHBondContact N-O 3.39Å; G52-V165 PolarHBondContact O-N 3.09Å; V76-V165 CarbonylContact O-C 3.37Å; V76-V165 WeakPolarHBondContact O-CA 3.35Å; W77-V165 HydrophobicContact CB-CG1 4.44Å; V165-A169 HydrophobicContact CB-CB 4.08Å; V165-A169 HydrophobicContact CG1-CB 4.22Å; V165-L171 HydrophobicContact CG1-CD1 4.03Å
166	D	98.6	Very high	97.9	Very high	49 Å²	49	37.2 Å²	37.2	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	173	172.3	-170.1	21.7	0	0	0	107.8	T51 V76 V91 S168 A169	T51-D166 HydrophobicContact CG2-CB 4.18Å; T51-D166 VanDerWaalsContact CG2-OD1 3.29Å; T51-D166 WeakPolarHBondContact CG2-OD1 3.41Å; T51-D166 PolarHBondContact OG1-OD1 2.86Å; V76-D166 HydrophobicContact CB-CB 3.98Å; V76-D166 HydrophobicContact CG1-CB 4.09Å; V76-D166 PolarHBondContact N-O 2.78Å; V76-D166 PolarHBondContact O-N 2.83Å; V76-D166 VanDerWaalsContact O-O 3.05Å; V91-D166 HydrophobicContact CG1-CB 3.85Å; V91-D166 HydrophobicContact CG2-CB 4.46Å; D166-S168 VanDerWaalsContact C-N 3.33Å; D166-S168 PolarHBondContact O-N 2.76Å; D166-A169 VanDerWaalsContact O-CB 3.27Å; D166-A169 WeakPolarHBondContact O-CB 3.34Å; D166-A169 PolarHBondContact O-N 3.09Å; D166-A169 VanDerWaalsContact O-N 3.12Å
167	D	97.4	Very high	97.9	Very high	108 Å²	108	32.6 Å²	32.6	58%	0.578	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	51.8	-179.9	-165.2	26.6	0	0	0	112.5	V76 A169	V76-D167 HydrophobicContact CB-CB 4.19Å; V76-D167 HydrophobicContact CG2-CB 3.95Å; D167-A169 PolarHBondContact O-N 2.91Å; D167-A169 VanDerWaalsContact O-N 3.09Å
168	S	96.4	Very high	98	Very high	96 Å²	96	31.7 Å²	31.7	67%	0.671	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	10	179.2	-48.8	0	0	0	0	116.4	D166	D166-S168 VanDerWaalsContact C-N 3.33Å; D166-S168 PolarHBondContact O-N 2.76Å
169	A	98.6	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.			trans	-60.7	140.4	177.1	0	0	0	0	0	112.2	S73 W77 V165 D166 D167 L171	S73-A169 WeakPolarHBondContact O-CA 3.46Å; W77-A169 HydrophobicContact CB-CB 4.09Å; V165-A169 HydrophobicContact CB-CB 4.08Å; V165-A169 HydrophobicContact CG1-CB 4.22Å; D166-A169 VanDerWaalsContact O-CB 3.27Å; D166-A169 WeakPolarHBondContact O-CB 3.34Å; D166-A169 PolarHBondContact O-N 3.09Å; D166-A169 VanDerWaalsContact O-N 3.12Å; D167-A169 PolarHBondContact O-N 2.91Å; D167-A169 VanDerWaalsContact O-N 3.09Å; A169-L171 HydrophobicContact CB-CD1 4.41Å
170	I	98.8	Very high	98.1	Very high	49 Å²	49	35.9 Å²	35.9	25%	0.251	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.4	178	-52.1	179.8	0	0	0	108.6	R47 I48 C49 Q72 S73	R47-I170 HydrophobicContact CG-CG2 3.85Å; I48-I170 WeakPolarHBondContact O-CA 3.47Å; C49-I170 HydrophobicContact CB-CG1 4.03Å; Q72-I170 WeakPolarHBondContact CA-O 3.41Å; Q72-I170 HydrophobicContact CB-CB 4.14Å; Q72-I170 HydrophobicContact CB-CG2 3.97Å; Q72-I170 VanDerWaalsContact CB-O 3.32Å; Q72-I170 WeakPolarHBondContact CB-O 3.33Å; Q72-I170 PolarHBondContact N-O 3.25Å; S73-I170 PolarHBondContact N-O 2.79Å; S73-I170 VanDerWaalsContact N-O 3.09Å; S73-I170 PolarHBondContact O-N 3.36Å
171	L	98.8	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.6	177.7	-84.6	66.9	0	0	0	110.5	R47 I48 F69 K70 W77 I79 V163 V165 A169	R47-L171 WeakPolarHBondContact CA-O 3.38Å; I48-L171 HydrophobicContact CG2-CB 3.9Å; I48-L171 WeakPolarHBondContact CG2-O 3.34Å; I48-L171 PolarHBondContact N-O 2.98Å; I48-L171 PolarHBondContact O-N 2.97Å; I48-L171 VanDerWaalsContact O-N 3.12Å; F69-L171 HydrophobicContact CB-CD2 4.34Å; K70-L171 WeakPolarHBondContact O-CA 3.13Å; W77-L171 HydrophobicContact CB-CD1 3.77Å; W77-L171 HydrophobicContact CB-CD2 4.24Å; W77-L171 HydrophobicContact CD2-CD1 4.37Å; W77-L171 HydrophobicContact CD2-CD2 4.29Å; W77-L171 HydrophobicContact CE3-CD2 4.07Å; W77-L171 HydrophobicContact CG-CD1 3.82Å; W77-L171 HydrophobicContact CG-CD2 4.37Å; I79-L171 HydrophobicContact CG2-CD2 3.68Å; V163-L171 HydrophobicContact CG2-CB 4.34Å; V163-L171 HydrophobicContact CG2-CD2 3.71Å; V165-L171 HydrophobicContact CG1-CD1 4.03Å; A169-L171 HydrophobicContact CB-CD1 4.41Å
172	D	98.8	Very high	98	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.08	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.5	168.2	-75.3	-9.8	0	0	0	109.6	K43 R46 R47 F69 K70 Q72	K43-D172 IonicContact NZ-OD2 2.62Å; R46-D172 CarbonylContact O-C 3.4Å; R46-D172 WeakPolarHBondContact O-CA 3.13Å; R47-D172 WeakPolarHBondContact CB-OD1 3.37Å; R47-D172 VanDerWaalsContact CG-OD1 3.29Å; R47-D172 WeakPolarHBondContact CG-OD1 3.31Å; R47-D172 IonicContact CZ-OD1 3.97Å; R47-D172 IonicContact CZ-OD2 2.75Å; R47-D172 IonicContact NE-OD1 3.73Å; R47-D172 PolarHBondContact NE-OD1 3.34Å; R47-D172 IonicContact NE-OD2 3.74Å; R47-D172 IonicContact NH2-OD1 3.64Å; R47-D172 PolarHBondContact NH2-OD1 3.39Å; R47-D172 IonicContact NH2-OD2 3.6Å; R47-D172 PolarHBondContact NH2-OD2 2.89Å; F69-D172 CarbonylContact C-O 3.58Å; F69-D172 VanDerWaalsContact CA-O 3.26Å; F69-D172 WeakPolarHBondContact CA-O 3.19Å; K70-D172 HydrophobicContact CB-CB 4.4Å; K70-D172 PolarHBondContact N-O 3.33Å; K70-D172 PolarHBondContact O-N 2.73Å; Q72-D172 HydrophobicContact CG-CB 4.18Å; Q72-D172 WeakPolarHBondContact CG-OD2 3.39Å; Q72-D172 PolarHBondContact NE2-OD2 3.36Å
173	C	97.8	Very high	97.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	147	175.5	68.7	0	0	0	0	112.1	R46 F69 F175	R46-C173 VanDerWaalsContact CA-SG 3.56Å; R46-C173 PolarHBondContact O-N 3.13Å; R46-C173 PolarHBondContact O-SG 2.9Å; F69-C173 HydrophobicContact CD1-CB 3.67Å; F69-C173 HydrophobicContact CE1-CB 3.39Å; F69-C173 HydrophobicContact CZ-CB 4.17Å; C173-F175 HydrophobicContact CB-CD2 4.36Å; C173-F175 HydrophobicContact CB-CE2 3.78Å; C173-F175 HydrophobicContact CB-CZ 3.95Å; C173-F175 WeakPolarHBondContact SG-CE2 3.44Å
174	Q	98.3	Very high	97.8	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.065	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	106.4	175.4	-158.4	59.1	5.8	0	0	109	E68 S176 D177 F178 Y179	E68-Q174 HydrophobicContact CB-CB 4.09Å; E68-Q174 PolarHBondContact N-O 2.81Å; E68-Q174 PolarHBondContact O-N 3.49Å; Q174-S176 WeakPolarHBondContact CG-O 3.32Å; Q174-S176 PolarHBondContact NE2-O 2.9Å; Q174-D177 PolarHBondContact NE2-O 3.42Å; Q174-F178 HydrophobicContact CB-CD1 4.42Å; Q174-F178 HydrophobicContact CG-CD1 4.06Å; Q174-F178 VanDerWaalsContact O-CE1 3.31Å; Q174-F178 WeakPolarHBondContact O-CE1 3.44Å; Q174-Y179 HydrophobicContact CG-CD2 4.48Å
175	F	97.8	Very high	97.7	Very high	9 Å²	9	55 Å²	55	4%	0.039	31%	0.307	C	S	.	.	S	Bend	trans	-105.1	-11.1	177.6	-60.6	-62.5	0	0	0	113	V28 L30 A56 F67 F69 P161 C173 F178 K188 I189	V28-F175 HydrophobicContact CB-CB 3.74Å; V28-F175 HydrophobicContact CB-CD2 4.36Å; V28-F175 HydrophobicContact CB-CG 4.13Å; V28-F175 HydrophobicContact CG1-CB 3.76Å; V28-F175 HydrophobicContact CG1-CD1 4.04Å; V28-F175 HydrophobicContact CG1-CD2 3.82Å; V28-F175 HydrophobicContact CG1-CE2 4.4Å; V28-F175 HydrophobicContact CG1-CG 3.61Å; V28-F175 WeakPolarHBondContact O-CD2 3.24Å; L30-F175 HydrophobicContact CD2-CE2 4.36Å; L30-F175 HydrophobicContact CD2-CZ 4.33Å; A56-F175 HydrophobicContact CB-CE1 4.13Å; A56-F175 HydrophobicContact CB-CE2 4.12Å; A56-F175 HydrophobicContact CB-CZ 3.67Å; F67-F175 HydrophobicContact CB-CD1 3.66Å; F67-F175 HydrophobicContact CB-CE1 3.99Å; F67-F175 HydrophobicContact CD2-CE1 4.4Å; F67-F175 HydrophobicContact CG-CD1 4.41Å; F67-F175 HydrophobicContact CG-CE1 4.32Å; F69-F175 HydrophobicContact CZ-CZ 4.34Å; P161-F175 HydrophobicContact CB-CE1 3.72Å; P161-F175 HydrophobicContact CB-CZ 4.22Å; P161-F175 HydrophobicContact CG-CE1 3.88Å; C173-F175 HydrophobicContact CB-CD2 4.36Å; C173-F175 HydrophobicContact CB-CE2 3.78Å; C173-F175 HydrophobicContact CB-CZ 3.95Å; C173-F175 WeakPolarHBondContact SG-CE2 3.44Å; F175-F178 WeakPolarHBondContact O-CZ 3.47Å; F175-K188 VanDerWaalsContact O-CB 3.31Å; F175-K188 WeakPolarHBondContact O-CB 3.49Å; F175-I189 HydrophobicContact CD1-CD1 3.85Å; F175-I189 HydrophobicContact CE1-CD1 4.3Å
176	S	95.3	Very high	97.6	Very high	41 Å²	41	56.4 Å²	56.4	29%	0.287	31%	0.313	S	S	.	.	S	Bend	trans	-142.6	170.9	170.2	64.3	0	0	0	0	108.3	Q174 F178	Q174-S176 WeakPolarHBondContact CG-O 3.32Å; Q174-S176 PolarHBondContact NE2-O 2.9Å; S176-F178 VanDerWaalsContact C-N 3.34Å; S176-F178 PolarHBondContact O-N 3.36Å
177	D	95.4	Very high	97.6	Very high	137 Å²	137	59.8 Å²	59.8	73%	0.733	33%	0.327	S	S	*	.	S	Bend	trans	54	46.4	172.3	-45.8	-61	0	0	0	113.7	Q174	Q174-D177 PolarHBondContact NE2-O 3.42Å
178	F	98.3	Very high	97.5	Very high	39 Å²	39	59.7 Å²	59.7	17%	0.171	32%	0.321	C	S	.	.			trans	-57.9	150.9	-172.1	-55	-62.8	0	0	0	114.1	Y66 E68 Q174 F175 S176 H180 P182 K188	Y66-F178 AromaticContact CD1-CD1 3.94Å; Y66-F178 HydrophobicContact CD1-CD1 3.94Å; Y66-F178 AromaticContact CD1-CD2 3.88Å; Y66-F178 HydrophobicContact CD1-CD2 3.88Å; Y66-F178 AromaticContact CD1-CE1 3.9Å; Y66-F178 HydrophobicContact CD1-CE1 3.9Å; Y66-F178 AromaticContact CD1-CE2 3.83Å; Y66-F178 HydrophobicContact CD1-CE2 3.83Å; Y66-F178 AromaticContact CD1-CG 3.92Å; Y66-F178 HydrophobicContact CD1-CG 3.92Å; Y66-F178 AromaticContact CD1-CZ 3.84Å; Y66-F178 HydrophobicContact CD1-CZ 3.84Å; Y66-F178 HydrophobicContact CE1-CB 4.15Å; Y66-F178 AromaticContact CE1-CD1 3.87Å; Y66-F178 HydrophobicContact CE1-CD1 3.87Å; Y66-F178 HydrophobicContact CE1-CD2 4.12Å; Y66-F178 HydrophobicContact CE1-CE1 4.3Å; Y66-F178 HydrophobicContact CE1-CE2 4.5Å; Y66-F178 AromaticContact CE1-CG 3.77Å; Y66-F178 HydrophobicContact CE1-CG 3.77Å; Y66-F178 WeakPolarHBondContact O-CZ 3.38Å; E68-F178 HydrophobicContact CG-CD1 3.94Å; Q174-F178 HydrophobicContact CB-CD1 4.42Å; Q174-F178 HydrophobicContact CG-CD1 4.06Å; Q174-F178 VanDerWaalsContact O-CE1 3.31Å; Q174-F178 WeakPolarHBondContact O-CE1 3.44Å; F175-F178 WeakPolarHBondContact O-CZ 3.47Å; S176-F178 VanDerWaalsContact C-N 3.34Å; S176-F178 PolarHBondContact O-N 3.36Å; F178-H180 VanDerWaalsContact C-N 3.31Å; F178-H180 WeakPolarHBondContact CB-O 3.23Å; F178-P182 HydrophobicContact CD2-CG 3.4Å; F178-P182 VanDerWaalsContact CD2-CG 3.4Å; F178-P182 HydrophobicContact CE2-CG 3.62Å; F178-P182 HydrophobicContact CG-CG 4.4Å; F178-K188 HydrophobicContact CE2-CB 3.81Å; F178-K188 HydrophobicContact CZ-CB 3.66Å
179	Y	98.4	Very high	97.5	Very high	114 Å²	114	55.3 Å²	55.3	45%	0.447	29%	0.291	S	S	.	.	S	Bend	trans	-69.8	-33.1	171.1	-69.8	-82.5	0	0	0	111.6	E68 K70 I129 Q174	E68-Y179 PolarHBondContact OE2-N 3.34Å; K70-Y179 HydrophobicContact CB-CE2 4.41Å; K70-Y179 HydrophobicContact CD-CE2 4.32Å; I129-Y179 VanDerWaalsContact CD1-CB 3.46Å; I129-Y179 HydrophobicContact CD1-CD1 3.92Å; I129-Y179 HydrophobicContact CD1-CD2 3.96Å; I129-Y179 HydrophobicContact CD1-CG 3.52Å; I129-Y179 HydrophobicContact CG1-CD2 4.03Å; I129-Y179 HydrophobicContact CG1-CG 4.12Å; I129-Y179 HydrophobicContact CG2-CD2 4.31Å; Q174-Y179 HydrophobicContact CG-CD2 4.48Å
180	H	98.6	Very high	97.1	Very high	50 Å²	50	59.6 Å²	59.6	23%	0.231	31%	0.313	C	S	.	.	S	Bend	trans	-118.6	143.5	175.4	-56.7	-74.9	0	0	0	110.9	E68 N144 G145 F178	E68-H180 WeakPolarHBondContact OE1-CB 3.13Å; E68-H180 IonicContact OE1-CD2 3.33Å; E68-H180 IonicContact OE1-CG 3.34Å; E68-H180 PolarHBondContact OE1-N 2.78Å; E68-H180 VanDerWaalsContact OE1-N 3.1Å; N144-H180 VanDerWaalsContact C-NE2 3.29Å; N144-H180 VanDerWaalsContact CA-NE2 3.34Å; N144-H180 WeakPolarHBondContact CA-NE2 3.48Å; N144-H180 PolarHBondContact O-CE1 2.96Å; G145-H180 PolarHBondContact N-CD2 3.4Å; F178-H180 VanDerWaalsContact C-N 3.31Å; F178-H180 WeakPolarHBondContact CB-O 3.23Å
181	T	97.9	Very high	96.6	Very high	131 Å²	131	60.3 Å²	60.3	80%	0.804	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-58.1	128.8	175.9	-54.4	0	0	0	0	109.8
182	P	97.9	Very high	95.5	Very high	39 Å²	39	67 Å²	67	25%	0.253	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-52.7	142	175.6	-28.9	35.9	0	0	0	112	Y66 F178 F186	Y66-P182 HydrophobicContact CD1-CB 3.81Å; Y66-P182 HydrophobicContact CD1-CG 3.73Å; Y66-P182 HydrophobicContact CE1-CB 4.39Å; Y66-P182 HydrophobicContact CE1-CG 4.21Å; Y66-P182 HydrophobicContact CG-CB 4.07Å; Y66-P182 HydrophobicContact CG-CG 4.44Å; F178-P182 HydrophobicContact CD2-CG 3.4Å; F178-P182 VanDerWaalsContact CD2-CG 3.4Å; F178-P182 HydrophobicContact CE2-CG 3.62Å; F178-P182 HydrophobicContact CG-CG 4.4Å; P182-F186 VanDerWaalsContact CB-O 3.25Å; P182-F186 WeakPolarHBondContact CB-O 3.34Å
183	P	97.4	Very high	93.7	Very high	24 Å²	24	73.6 Å²	73.6	16%	0.156	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-56.9	154.9	173.6	-25.8	36.4	0	0	0	112.3	Y66 T133 Y142 G185 F186	Y66-P183 HydrophobicContact CD2-CG 4.34Å; Y66-P183 HydrophobicContact CE2-CG 4.28Å; T133-P183 HydrophobicContact CG2-CB 4.28Å; T133-P183 HydrophobicContact CG2-CG 3.72Å; Y142-P183 HydrophobicContact CD1-CG 4.13Å; Y142-P183 HydrophobicContact CD2-CG 4.38Å; Y142-P183 HydrophobicContact CE1-CB 4.2Å; Y142-P183 HydrophobicContact CE1-CG 3.45Å; Y142-P183 VanDerWaalsContact CE1-CG 3.45Å; Y142-P183 HydrophobicContact CE2-CG 3.78Å; Y142-P183 WeakPolarHBondContact OH-CB 3.25Å; Y142-P183 WeakPolarHBondContact OH-CG 3.47Å; P183-G185 PolarHBondContact O-N 3.29Å; P183-F186 HydrophobicContact CB-CD2 4.11Å; P183-F186 WeakPolarHBondContact O-CB 3.44Å; P183-F186 PolarHBondContact O-N 3.23Å
184	Q	96.3	Very high	91.6	Very high	189 Å²	189	80.8 Å²	80.8	88%	0.883	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	124.9	-174.4	-172.2	-179.2	23.6	0	0	112.6	F186	Q184-F186 VanDerWaalsContact C-N 3.25Å; Q184-F186 PolarHBondContact O-N 3.02Å
185	G	96	Very high	89.3	Confident	51 Å²	51	88.2 Å²	88.2	53%	0.526	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-0.2	179.3	0	0	0	0	0	114.8	K64 P183	K64-G185 VanDerWaalsContact CB-O 3.25Å; K64-G185 WeakPolarHBondContact CB-O 3.23Å; K64-G185 WeakPolarHBondContact CD-O 3.44Å; P183-G185 PolarHBondContact O-N 3.29Å
186	F	97.8	Very high	87	Confident	29 Å²	29	99.4 Å²	99.4	13%	0.127	50%	0.497	C	S	.	.			trans	-99.6	141.3	169.9	-69.5	-94.8	0	0	0	110.3	K64 S65 T133 D135 P182 P183 Q184	K64-F186 HydrophobicContact CB-CD1 3.58Å; K64-F186 HydrophobicContact CB-CE1 3.79Å; K64-F186 HydrophobicContact CB-CG 4.04Å; K64-F186 HydrophobicContact CB-CZ 4.45Å; K64-F186 HydrophobicContact CD-CD1 4.46Å; K64-F186 HydrophobicContact CD-CD2 4.27Å; K64-F186 HydrophobicContact CD-CE1 4.24Å; K64-F186 HydrophobicContact CD-CE2 4.08Å; K64-F186 HydrophobicContact CD-CG 4.46Å; K64-F186 HydrophobicContact CD-CZ 4.06Å; K64-F186 HydrophobicContact CG-CD1 4.16Å; K64-F186 HydrophobicContact CG-CE1 3.89Å; K64-F186 HydrophobicContact CG-CZ 4.15Å; S65-F186 WeakPolarHBondContact O-CD1 3.38Å; T133-F186 VanDerWaalsContact CB-CE1 3.49Å; T133-F186 HydrophobicContact CG2-CB 4.26Å; T133-F186 HydrophobicContact CG2-CD1 3.69Å; T133-F186 HydrophobicContact CG2-CD2 3.97Å; T133-F186 HydrophobicContact CG2-CE1 4Å; T133-F186 HydrophobicContact CG2-CE2 4.21Å; T133-F186 HydrophobicContact CG2-CG 3.7Å; T133-F186 HydrophobicContact CG2-CZ 4.23Å; D135-F186 HydrophobicContact CB-CE1 3.98Å; D135-F186 HydrophobicContact CB-CZ 4.14Å; P182-F186 VanDerWaalsContact CB-O 3.25Å; P182-F186 WeakPolarHBondContact CB-O 3.34Å; P183-F186 HydrophobicContact CB-CD2 4.11Å; P183-F186 WeakPolarHBondContact O-CB 3.44Å; P183-F186 PolarHBondContact O-N 3.23Å; Q184-F186 VanDerWaalsContact C-N 3.25Å; Q184-F186 PolarHBondContact O-N 3.02Å
187	E	97	Very high	86.6	Confident	119 Å²	119	102.3 Å²	102.3	56%	0.556	51%	0.507	S	S	*	.	B	Isolated β-bridge	trans	-134.3	167.8	-176.2	-62.2	-173.8	168.1	0	0	110.8	Q62 S65 Y66	Q62-E187 PolarHBondContact NE2-O 3.4Å; S65-E187 CarbonylContact C-O 3.45Å; S65-E187 WeakPolarHBondContact CA-O 3.31Å; Y66-E187 PolarHBondContact N-O 3.12Å
188	K	96.6	Very high	86.2	Confident	106 Å²	106	100.5 Å²	100.5	46%	0.461	50%	0.495	S	S	.	.			trans	-57.8	155.5	171.7	64.2	176.5	-177.3	-179.6	0	111.5	Q62 F175 F178 L190	Q62-K188 PolarHBondContact NE2-O 3.47Å; Q62-K188 PolarHBondContact OE1-O 2.99Å; F175-K188 VanDerWaalsContact O-CB 3.31Å; F175-K188 WeakPolarHBondContact O-CB 3.49Å; F178-K188 HydrophobicContact CE2-CB 3.81Å; F178-K188 HydrophobicContact CZ-CB 3.66Å; K188-L190 HydrophobicContact CG-CD2 4.1Å; K188-L190 PolarHBondContact O-N 2.81Å
189	I	96.1	Very high	85.5	Confident	5 Å²	5	103.9 Å²	103.9	3%	0.026	51%	0.513	C	S	.	.			trans	-69	131.3	177.1	-53.8	166.4	0	0	0	109.2	V28 A58 L60 F67 P161 F175	V28-I189 HydrophobicContact CG1-CB 4.39Å; V28-I189 HydrophobicContact CG1-CD1 4.35Å; V28-I189 HydrophobicContact CG2-CB 4.17Å; V28-I189 HydrophobicContact CG2-CG2 4.21Å; V28-I189 WeakPolarHBondContact CG2-O 3.41Å; A58-I189 HydrophobicContact CB-CG2 3.77Å; L60-I189 HydrophobicContact CD2-CD1 3.54Å; L60-I189 HydrophobicContact CD2-CG1 3.69Å; L60-I189 HydrophobicContact CD2-CG2 4.2Å; F67-I189 HydrophobicContact CB-CD1 4.31Å; F67-I189 HydrophobicContact CD1-CD1 3.99Å; F67-I189 HydrophobicContact CG-CD1 4.4Å; P161-I189 HydrophobicContact CG-CD1 3.29Å; F175-I189 HydrophobicContact CD1-CD1 3.85Å; F175-I189 HydrophobicContact CE1-CD1 4.3Å
190	L	91.1	Very high	84.7	Confident	90 Å²	90	103.3 Å²	103.3	47%	0.471	52%	0.517	S	S	.	.			trans	-111.1	142.2	177.8	-58	178.3	0	0	0	110.1	K188	K188-L190 HydrophobicContact CG-CD2 4.1Å; K188-L190 PolarHBondContact O-N 2.81Å
191	F	87.1	Confident	83.9	Confident	64 Å²	64	106.6 Å²	106.6	28%	0.281	54%	0.535	S	S	.	.			trans	-70.6	141.7	162.7	-72.5	-81.6	0	0	0	109.3	P26 V28 A58 Q193	P26-F191 HydrophobicContact CB-CD2 3.97Å; P26-F191 HydrophobicContact CB-CE2 3.74Å; P26-F191 HydrophobicContact CB-CZ 4.14Å; P26-F191 HydrophobicContact CG-CB 4.49Å; P26-F191 HydrophobicContact CG-CD2 3.71Å; P26-F191 HydrophobicContact CG-CE2 4.03Å; P26-F191 HydrophobicContact CG-CG 4.01Å; P26-F191 VanDerWaalsContact O-CD2 3.26Å; P26-F191 WeakPolarHBondContact O-CD2 3.46Å; P26-F191 WeakPolarHBondContact O-CE2 3.22Å; V28-F191 HydrophobicContact CG2-CD2 4.19Å; V28-F191 HydrophobicContact CG2-CE2 3.69Å; V28-F191 HydrophobicContact CG2-CZ 4.23Å; A58-F191 HydrophobicContact CB-CD1 4.09Å; A58-F191 HydrophobicContact CB-CE1 3.71Å; A58-F191 HydrophobicContact CB-CE2 4.42Å; A58-F191 HydrophobicContact CB-CZ 3.9Å; F191-Q193 PolarHBondContact O-N 3.13Å; F191-Q193 VanDerWaalsContact O-N 3.17Å
192	E	75.4	Confident	82.9	Confident	141 Å²	141	105 Å²	105	66%	0.659	52%	0.517	S	S	*	.			trans	-58.9	122.3	166.1	-78.1	-177	168.1	0	0	109.2	H61 Q194	H61-E192 IonicContact CE1-OE1 3.74Å; H61-E192 IonicContact CG-OE1 2.79Å; H61-E192 IonicContact ND1-OE1 3.46Å; H61-E192 PolarHBondContact ND1-OE1 2.77Å; H61-E192 IonicContact ND1-OE2 3.62Å; E192-Q194 PolarHBondContact O-N 2.84Å
193	Q	60.7	Low	81.9	Confident	153 Å²	153	109.7 Å²	109.7	72%	0.715	54%	0.536	S	S	*	.			trans	-70.9	113.9	167.6	-69.2	-177.4	-5.4	0	0	107.2	F191 I195	F191-Q193 PolarHBondContact O-N 3.13Å; F191-Q193 VanDerWaalsContact O-N 3.17Å; Q193-I195 VanDerWaalsContact C-N 3.32Å; Q193-I195 PolarHBondContact O-N 3.45Å
194	Q	54.1	Low	80.7	Confident	152 Å²	152	116.3 Å²	116.3	71%	0.71	57%	0.566	S	S	*	*			trans	-66.1	99.6	163.6	-71.6	-176	-14.6	0	0	107.2	E192 F196	E192-Q194 PolarHBondContact O-N 2.84Å; Q194-F196 HydrophobicContact CB-CD2 4.3Å; Q194-F196 HydrophobicContact CB-CE2 3.81Å; Q194-F196 HydrophobicContact CB-CZ 4.06Å; Q194-F196 PolarHBondContact O-N 3.07Å
195	I	50.9	Low	79.4	Confident	169 Å²	169	110.3 Å²	110.3	87%	0.867	54%	0.539	S	S	*	.			trans	-70.3	104.2	166.4	-9.6	174.4	0	0	0	105.2	Q193	Q193-I195 VanDerWaalsContact C-N 3.32Å; Q193-I195 PolarHBondContact O-N 3.45Å
196	F	49.8	Very low	77.9	Confident	244 Å²	244	115.6 Å²	115.6	100%	1.07	54%	0.54	S	S	*	.			trans	-84.9	0	169	-68.2	-77.5	0	0	0	110	Q194	Q194-F196 HydrophobicContact CB-CD2 4.3Å; Q194-F196 HydrophobicContact CB-CE2 3.81Å; Q194-F196 HydrophobicContact CB-CZ 4.06Å; Q194-F196 PolarHBondContact O-N 3.07Å

Retrieved 196 of 196 residues in 37 ms (Link to these results)

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