A0A087XFT7_POEFO Loading...

Methylmalonyl-CoA epimerase, mitochondrial

Methylmalonyl-CoA epimerase involved in propionyl-CoA metabolism.

AlphaFold DB , UniProt , Accession A0A087XFT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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	40.6	Very low	39.1	Very low	250 Å²	250	134.2 Å²	134.2	100%	1.232	86%	0.857	S	S	*	*				0	125.8	0	-57.5	-144.2	-134.9	0	0	106.6
2	A	40.7	Very low	39.5	Very low	103 Å²	103	128.8 Å²	128.8	85%	0.851	85%	0.845	S	S	*	*			cis	-144.6	146.8	10.4	0	0	0	0	0	109
3	S	35.9	Very low	39.4	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	85%	0.849	S	S	*	*			trans	-81.5	136.1	172.4	176.4	0	0	0	0	109.2
4	A	42.2	Very low	39.9	Very low	104 Å²	104	132.6 Å²	132.6	86%	0.86	84%	0.842	S	S	*	*			trans	-116.5	104	166.6	0	0	0	0	0	108.9
5	V	41.3	Very low	40.4	Very low	118 Å²	118	140.3 Å²	140.3	72%	0.715	85%	0.848	S	S	*	*			trans	-77.2	132.6	169.3	174	0	0	0	0	108
6	L	36.2	Very low	40.3	Very low	177 Å²	177	138.8 Å²	138.8	93%	0.927	84%	0.844	S	S	*	*			trans	-126.8	120	159.8	-152.5	76.1	0	0	0	109.6
7	K	37.4	Very low	40.7	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	84%	0.843	S	S	*	*			trans	-91.5	133.6	177	-96.1	-177.4	172.4	176.3	0	110.5
8	V	38.1	Very low	40.9	Very low	131 Å²	131	143.4 Å²	143.4	79%	0.794	85%	0.847	S	S	*	*			trans	58.1	122.5	132	-171.3	0	0	0	0	119.6
9	A	35.2	Very low	41.1	Very low	100 Å²	100	140.6 Å²	140.6	83%	0.826	84%	0.842	S	S	*	*				-153	110.3	128.4	0	0	0	0	0	109.9
10	A	43.6	Very low	41.3	Very low	103 Å²	103	138.2 Å²	138.2	85%	0.851	84%	0.838	S	S	*	*			trans	-81.8	124.9	164.9	0	0	0	0	0	108.4
11	A	39.2	Very low	41.6	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	84%	0.835	S	S	*	*			trans	-129.9	106.8	165.6	0	0	0	0	0	107.6
12	G	43.1	Very low	41.9	Very low	70 Å²	70	134.8 Å²	134.8	72%	0.722	82%	0.817	S	S	*	*			trans	-74.9	139.6	170.3	0	0	0	0	0	110.2
13	F	39.1	Very low	42.3	Very low	203 Å²	203	139.9 Å²	139.9	89%	0.89	82%	0.815	S	S	*	*			trans	-146	115.6	159.3	-100.9	-83.9	0	0	0	110.6
14	S	46	Very low	42.8	Very low	107 Å²	107	138 Å²	138	75%	0.748	81%	0.813	S	S	*	*			trans	49	109.1	143.4	-151.8	0	0	0	0	119.6	C16	S14-C16 PolarHBondContact O-N 3.07Å
15	R	46.8	Very low	43.1	Very low	248 Å²	248	141 Å²	141	94%	0.936	81%	0.809	S	S	*	*			trans	-56.9	105.2	158.1	-90.1	175.8	152	-163.5	-5	109.5
16	C	38.6	Very low	43.5	Very low	117 Å²	117	140 Å²	140	79%	0.791	81%	0.807	S	S	*	*			trans	-97.5	104	163.3	-153	0	0	0	0	108.2	S14 R18	S14-C16 PolarHBondContact O-N 3.07Å; C16-R18 PolarHBondContact O-N 3.28Å
17	S	47.1	Very low	44.5	Very low	118 Å²	118	138 Å²	138	83%	0.825	80%	0.802	S	S	*	*			trans	-62	103.2	175.5	-61.7	0	0	0	0	109.9	A19	S17-A19 PolarHBondContact O-N 3.03Å
18	R	45	Very low	45.2	Very low	243 Å²	243	134.7 Å²	134.7	92%	0.917	80%	0.798	S	S	*	*			trans	-72.7	112.1	165	-84.7	-174.9	172.9	-143	-0.9	108.2	C16 A20	C16-R18 PolarHBondContact O-N 3.28Å; R18-A20 PolarHBondContact O-N 3.22Å
19	A	45.4	Very low	46.2	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	79%	0.792	S	S	*	*			trans	-52.6	121.5	166.1	0	0	0	0	0	109.2	S17 I21	S17-A19 PolarHBondContact O-N 3.03Å; A19-I21 PolarHBondContact O-N 3.09Å; A19-I21 VanDerWaalsContact O-N 3.09Å
20	A	44.2	Very low	47	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	79%	0.789	S	S	*	*			trans	-68.2	105.5	171.1	0	0	0	0	0	108.1	R18 L22	R18-A20 PolarHBondContact O-N 3.22Å; A20-L22 PolarHBondContact O-N 3.02Å
21	I	48.7	Very low	47.2	Very low	150 Å²	150	136.3 Å²	136.3	77%	0.769	79%	0.79	S	S	*	*			trans	-68.8	99.9	166.1	-61.7	173	0	0	0	105.9	A19 R23	A19-I21 PolarHBondContact O-N 3.09Å; A19-I21 VanDerWaalsContact O-N 3.09Å; I21-R23 VanDerWaalsContact C-N 3.28Å; I21-R23 HydrophobicContact CG2-CG 4.45Å; I21-R23 PolarHBondContact O-N 2.89Å
22	L	46.5	Very low	48	Very low	167 Å²	167	143.2 Å²	143.2	87%	0.874	80%	0.796	S	S	*	*			trans	-63.7	93.6	166.1	-78.9	160.3	0	0	0	107.5	A20 G24	A20-L22 PolarHBondContact O-N 3.02Å; L22-G24 VanDerWaalsContact C-N 3.29Å; L22-G24 PolarHBondContact O-N 2.96Å
23	R	49.5	Very low	48.5	Very low	210 Å²	210	151.7 Å²	151.7	79%	0.792	81%	0.806	S	S	*	*			trans	-65.8	96.5	162	-75.2	-173	179.2	-151	-0	106.8	I21 H25	I21-R23 VanDerWaalsContact C-N 3.28Å; I21-R23 HydrophobicContact CG2-CG 4.45Å; I21-R23 PolarHBondContact O-N 2.89Å; R23-H25 PolarHBondContact O-N 3.15Å; R23-H25 PolarHBondContact O-ND1 2.97Å; R23-H25 VanDerWaalsContact O-ND1 3.15Å
24	G	45.4	Very low	49.1	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	79%	0.791	S	S	*	*			trans	-53.6	109	166.2	0	0	0	0	0	108	L22 S26	L22-G24 VanDerWaalsContact C-N 3.29Å; L22-G24 PolarHBondContact O-N 2.96Å; G24-S26 PolarHBondContact O-N 3.05Å
25	H	48.1	Very low	49.6	Very low	167 Å²	167	144.1 Å²	144.1	77%	0.773	78%	0.783	S	S	*	*			trans	-70.7	103	168.4	-77.6	65.5	0	0	0	105.6	R23 T27	R23-H25 PolarHBondContact O-N 3.15Å; R23-H25 PolarHBondContact O-ND1 2.97Å; R23-H25 VanDerWaalsContact O-ND1 3.15Å; H25-T27 PolarHBondContact O-N 2.93Å
26	S	50.5	Low	50	Low	97 Å²	97	138 Å²	138	68%	0.678	78%	0.775	S	S	*	*			trans	-60.1	103.1	165.9	-174.9	0	0	0	0	107.1	G24 T28	G24-S26 PolarHBondContact O-N 3.05Å; S26-T28 PolarHBondContact O-N 2.95Å
27	T	57.7	Low	51	Low	135 Å²	135	136.1 Å²	136.1	83%	0.828	78%	0.776	S	S	*	*			trans	-76.6	63.9	170.7	53.7	0	0	0	0	108.7	H25 A29	H25-T27 PolarHBondContact O-N 2.93Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.49Å; T27-A29 VanDerWaalsContact O-N 3.15Å
28	T	52.4	Low	51.9	Low	113 Å²	113	132.8 Å²	132.8	69%	0.693	75%	0.753	S	S	*	*			trans	-77.9	95.1	159.2	50.6	0	0	0	0	106.1	S26	S26-T28 PolarHBondContact O-N 2.95Å
29	A	58.1	Low	53.7	Low	82 Å²	82	128 Å²	128	68%	0.678	75%	0.745	S	S	*	*			trans	-48.4	132.4	163.5	0	0	0	0	0	107.8	T27 L31	T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.49Å; T27-A29 VanDerWaalsContact O-N 3.15Å; A29-L31 PolarHBondContact O-N 2.9Å; A29-L31 VanDerWaalsContact O-N 3.1Å
30	P	52.3	Low	56	Low	117 Å²	117	125.1 Å²	125.1	76%	0.76	72%	0.715	S	S	*	*			trans	-59.6	124.1	176.8	24.5	-30.7	0	0	0	107.2	R32	P30-R32 VanDerWaalsContact C-N 3.31Å; P30-R32 PolarHBondContact O-N 3.33Å
31	L	47.8	Very low	58.5	Low	168 Å²	168	127.7 Å²	127.7	88%	0.88	71%	0.709	S	S	*	*			trans	-57	100.4	169.3	-79.9	162.5	0	0	0	106.9	A29 R33	A29-L31 PolarHBondContact O-N 2.9Å; A29-L31 VanDerWaalsContact O-N 3.1Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 3.01Å
32	R	55.9	Low	60.8	Low	240 Å²	240	125.6 Å²	125.6	91%	0.906	70%	0.699	S	S	*	*			trans	-58.7	101.6	165.3	-72.6	-177.5	177	-113.3	1.8	105.2	P30 G34	P30-R32 VanDerWaalsContact C-N 3.31Å; P30-R32 PolarHBondContact O-N 3.33Å; R32-G34 PolarHBondContact O-N 3.18Å
33	R	52.9	Low	63.2	Low	248 Å²	248	119.7 Å²	119.7	94%	0.936	68%	0.678	S	S	*	*			trans	-67.9	82	158	-69.1	-174.1	-161.2	-161.7	4.4	105.2	L31	L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 3.01Å
34	G	53	Low	65.5	Low	56 Å²	56	116.1 Å²	116.1	58%	0.577	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-54.2	148.4	164.1	0	0	0	0	0	108	R32	R32-G34 PolarHBondContact O-N 3.18Å
35	V	55.4	Low	68	Low	96 Å²	96	115.6 Å²	115.6	58%	0.582	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-48.7	129.3	161.7	-179.3	0	0	0	0	106.5	G37	V35-G37 PolarHBondContact O-N 3.24Å
36	P	54.7	Low	70.4	Confident	118 Å²	118	108.8 Å²	108.8	77%	0.766	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48	131.1	-178.9	-25	31.7	0	0	0	109.8	S38	P36-S38 VanDerWaalsContact C-N 3.32Å; P36-S38 PolarHBondContact O-N 3.42Å
37	G	59.8	Low	72.7	Confident	79 Å²	79	104.3 Å²	104.3	81%	0.814	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-13.6	83.3	-167.4	0	0	0	0	0	114.6	V35 L39	V35-G37 PolarHBondContact O-N 3.24Å; G37-L39 PolarHBondContact O-N 2.8Å
38	S	66.3	Low	74.6	Confident	48 Å²	48	99.8 Å²	99.8	34%	0.336	56%	0.556	S	S	.	*			trans	-62.5	135.8	176.7	49.5	0	0	0	0	107.8	P36 W40	P36-S38 VanDerWaalsContact C-N 3.32Å; P36-S38 PolarHBondContact O-N 3.42Å; S38-W40 CarbonylContact C-O 3.55Å; S38-W40 WeakPolarHBondContact CB-O 3.41Å; S38-W40 PolarHBondContact O-N 3.23Å; S38-W40 PolarHBondContact OG-O 3.07Å
39	L	84.1	Confident	76.8	Confident	143 Å²	143	94.4 Å²	94.4	75%	0.749	52%	0.523	S	S	*	.	S	Bend	trans	-65.9	-0.7	177.8	-65.6	171.2	0	0	0	112.8	G37 A129	G37-L39 PolarHBondContact O-N 2.8Å; L39-A129 HydrophobicContact CB-CB 4.24Å
40	W	93.7	Very high	78.7	Confident	28 Å²	28	91.7 Å²	91.7	11%	0.106	50%	0.496	C	S	.	.	S	Bend	trans	-149	162.7	-177.1	59	-80.4	0	0	0	108.6	S38 L42 V124 D125 A129 A130 D133 L134	S38-W40 CarbonylContact C-O 3.55Å; S38-W40 WeakPolarHBondContact CB-O 3.41Å; S38-W40 PolarHBondContact O-N 3.23Å; S38-W40 PolarHBondContact OG-O 3.07Å; W40-L42 HydrophobicContact CZ3-CB 4.43Å; W40-L42 HydrophobicContact CZ3-CD1 3.95Å; W40-V124 HydrophobicContact CE3-CB 4.13Å; W40-V124 HydrophobicContact CE3-CG1 3.67Å; W40-V124 HydrophobicContact CZ3-CB 4.5Å; W40-V124 HydrophobicContact CZ3-CG1 3.56Å; W40-D125 WeakPolarHBondContact CA-OD1 3.31Å; W40-D125 WeakPolarHBondContact CB-OD1 3.39Å; W40-A129 HydrophobicContact CB-CB 4.23Å; W40-A130 HydrophobicContact CB-CB 4.27Å; W40-A130 VanDerWaalsContact CD1-CA 3.46Å; W40-A130 HydrophobicContact CD2-CB 3.48Å; W40-A130 VanDerWaalsContact CD2-CB 3.48Å; W40-A130 HydrophobicContact CE3-CB 3.73Å; W40-A130 HydrophobicContact CG-CB 3.73Å; W40-A130 HydrophobicContact CH2-CB 4.47Å; W40-A130 HydrophobicContact CZ2-CB 4.28Å; W40-A130 HydrophobicContact CZ3-CB 4.22Å; W40-D133 PolarHBondContact NE1-OD2 3.15Å; W40-L134 HydrophobicContact CH2-CD1 4.49Å; W40-L134 HydrophobicContact CZ2-CD1 4.36Å; W40-L134 HydrophobicContact CZ2-CD2 4.21Å; W40-L134 HydrophobicContact CZ2-CG 4.09Å
41	K	95.1	Very high	81	Confident	146 Å²	146	86.1 Å²	86.1	64%	0.635	46%	0.46	S	S	*	.			trans	-122.9	138.7	-179.2	-63.6	172.9	-173	161.6	0	109.9	V124 D125	K41-V124 WeakPolarHBondContact O-CA 3.3Å; K41-D125 WeakPolarHBondContact CB-OD2 3.44Å; K41-D125 WeakPolarHBondContact CD-OD2 3.26Å; K41-D125 WeakPolarHBondContact CG-OD2 3.41Å; K41-D125 VanDerWaalsContact N-CG 3.34Å; K41-D125 PolarHBondContact N-OD1 3.1Å; K41-D125 PolarHBondContact N-OD2 3.41Å; K41-D125 PolarHBondContact O-N 3.12Å
42	L	96.7	Very high	83.4	Confident	107 Å²	107	78.6 Å²	78.6	56%	0.56	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	126.9	170.1	-161.3	71.9	0	0	0	109.6	W40 I122 V124 L170	W40-L42 HydrophobicContact CZ3-CB 4.43Å; W40-L42 HydrophobicContact CZ3-CD1 3.95Å; L42-I122 HydrophobicContact CD1-CB 4.29Å; L42-I122 HydrophobicContact CD1-CG2 3.54Å; L42-I122 HydrophobicContact CD2-CG2 4.29Å; L42-I122 HydrophobicContact CG-CG2 3.7Å; L42-V124 HydrophobicContact CD1-CG1 4.16Å; L42-L170 HydrophobicContact CD1-CD2 4.26Å
43	G	96.9	Very high	85.4	Confident	42 Å²	42	70.3 Å²	70.3	43%	0.433	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-152	-177.7	0	0	0	0	0	113.4	E123	G43-E123 WeakPolarHBondContact CA-O 3.43Å; G43-E123 PolarHBondContact N-O 3.14Å
44	K	97.9	Very high	87.6	Confident	136 Å²	136	61.9 Å²	61.9	59%	0.591	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	163.8	178	60.1	177.7	179.5	178.1	0	110.9	N46 E123	K44-N46 PolarHBondContact O-N 2.96Å; K44-E123 WeakPolarHBondContact CE-OE1 3.25Å; K44-E123 WeakPolarHBondContact CE-OE2 3.37Å; K44-E123 HydrophobicContact CG-CG 4.41Å; K44-E123 VanDerWaalsContact CG-OE2 3.22Å; K44-E123 WeakPolarHBondContact CG-OE2 3.35Å; K44-E123 IonicContact NZ-OE1 3.67Å; K44-E123 PolarHBondContact O-N 3.32Å
45	L	98.6	Very high	89.7	Confident	62 Å²	62	59.4 Å²	59.4	33%	0.325	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	116.4	166.3	-177.5	74.4	0	0	0	108.8	I48 T91 I120 C121 I122	L45-I48 HydrophobicContact CD2-CD1 4.16Å; L45-I48 HydrophobicContact CD2-CG1 3.93Å; L45-T91 HydrophobicContact CD2-CG2 4.34Å; L45-T91 PolarHBondContact O-OG1 3.39Å; L45-T91 VanDerWaalsContact O-OG1 3.06Å; L45-I120 HydrophobicContact CD1-CB 4.12Å; L45-C121 WeakPolarHBondContact CD1-O 3.34Å; L45-I122 HydrophobicContact CD1-CG1 4.3Å
46	N	98.3	Very high	91.7	Very high	24 Å²	24	60 Å²	60	13%	0.128	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-57.4	177.4	-175.2	-76.6	0	0	0	109.8	K44 T91 K92 C121 E123 H151 E171	K44-N46 PolarHBondContact O-N 2.96Å; N46-T91 PolarHBondContact O-OG1 2.81Å; N46-K92 PolarHBondContact O-N 2.74Å; N46-C121 HydrophobicContact CB-CB 4.23Å; N46-C121 PolarHBondContact N-O 2.9Å; N46-E123 HydrophobicContact CB-CG 4Å; N46-E123 PolarHBondContact ND2-OE1 2.96Å; N46-H151 PolarHBondContact OD1-CE1 3.26Å; N46-H151 VanDerWaalsContact OD1-CE1 3.25Å; N46-E171 PolarHBondContact ND2-OE1 3.13Å
47	H	98.4	Very high	93.8	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.009	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	166.5	178.9	67.1	-96.4	0	0	0	113.3	K92 E94 H119 C121 H151 E169	H47-K92 VanDerWaalsContact CA-O 3.22Å; H47-K92 WeakPolarHBondContact CA-O 3.26Å; H47-K92 HydrophobicContact CB-CB 4.14Å; H47-K92 WeakPolarHBondContact CB-O 3.36Å; H47-E94 IonicContact CD2-OE2 3.56Å; H47-E94 IonicContact CE1-OE2 2.9Å; H47-E94 IonicContact NE2-OE2 3.9Å; H47-E94 PolarHBondContact NE2-OE2 2.8Å; H47-H119 AromaticContact NE2-CD2 3.99Å; H47-H119 AromaticContact NE2-NE2 3.34Å; H47-H119 PolarHBondContact NE2-NE2 3.5Å; H47-C121 WeakPolarHBondContact CE1-CB 3.4Å; H47-C121 WeakPolarHBondContact ND1-CB 3.49Å; H47-C121 WeakPolarHBondContact NE2-CB 3.14Å; H47-C121 PolarHBondContact O-N 3.11Å; H47-H151 AromaticContact ND1-CE1 3.71Å; H47-E169 IonicContact CE1-OE2 2.74Å; H47-E169 PolarHBondContact CE1-OE2 3.46Å; H47-E169 IonicContact NE2-OE2 3.77Å
48	I	98.8	Very high	95.6	Very high	41 Å²	41	58.8 Å²	58.8	21%	0.21	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.3	164.6	-57.2	176.2	0	0	0	108	L45 K92 L93 E94 M117 I120	L45-I48 HydrophobicContact CD2-CD1 4.16Å; L45-I48 HydrophobicContact CD2-CG1 3.93Å; I48-K92 PolarHBondContact N-O 2.98Å; I48-L93 HydrophobicContact CB-CD2 3.98Å; I48-L93 WeakPolarHBondContact O-CA 3.41Å; I48-E94 PolarHBondContact O-N 3.25Å; I48-M117 HydrophobicContact CG2-CG 4.44Å; I48-M117 HydrophobicContact CG2-SD 4.37Å; I48-I120 HydrophobicContact CG1-CG2 4.27Å; I48-I120 HydrophobicContact CG2-CG2 4.43Å
49	A	98.5	Very high	97.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.3	179.8	0	0	0	0	0	111.6	E94 L96 H118 H119	A49-E94 CarbonylContact C-O 3.51Å; A49-E94 VanDerWaalsContact CA-O 3.3Å; A49-E94 WeakPolarHBondContact CA-O 3.36Å; A49-E94 HydrophobicContact CB-CB 4.5Å; A49-L96 HydrophobicContact CB-CD1 3.93Å; A49-H118 PolarHBondContact O-N 2.72Å; A49-H119 WeakPolarHBondContact CB-CE1 3.31Å; A49-H119 WeakPolarHBondContact CB-ND1 3.46Å; A49-H119 PolarHBondContact N-O 2.95Å
50	I	98.8	Very high	97.9	Very high	24 Å²	24	51.7 Å²	51.7	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115	-179.8	-53.9	177.3	0	0	0	108	V52 L93 E94 L95 L96 G116	I50-V52 HydrophobicContact CG2-CG1 3.98Å; I50-V52 PolarHBondContact O-N 2.87Å; I50-L93 HydrophobicContact CD1-CB 4.41Å; I50-L93 HydrophobicContact CD1-CD1 4.1Å; I50-L93 HydrophobicContact CD1-CD2 4.36Å; I50-E94 PolarHBondContact N-O 2.92Å; I50-L95 HydrophobicContact CB-CD2 4.12Å; I50-L95 HydrophobicContact CD1-CD2 4.32Å; I50-L95 WeakPolarHBondContact O-CA 3.33Å; I50-L96 PolarHBondContact O-N 3.36Å; I50-G116 WeakPolarHBondContact CA-O 3.32Å
51	A	98.8	Very high	98.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.4	172.2	0	0	0	0	0	109.2	L96 I105 F108 L109 G115 G116 H118	A51-L96 CarbonylContact C-O 3.21Å; A51-L96 WeakPolarHBondContact CA-O 3.05Å; A51-I105 HydrophobicContact CB-CD1 4.28Å; A51-F108 HydrophobicContact CB-CD1 3.68Å; A51-F108 HydrophobicContact CB-CE1 3.88Å; A51-L109 HydrophobicContact CB-CD2 4Å; A51-L109 HydrophobicContact CB-CG 4.2Å; A51-G115 CarbonylContact O-C 3.59Å; A51-G115 WeakPolarHBondContact O-CA 3.45Å; A51-G116 PolarHBondContact N-O 3.46Å; A51-G116 PolarHBondContact O-N 2.68Å; A51-H118 HydrophobicContact CB-CB 4.38Å
52	V	98.8	Very high	98.3	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	26%	0.262	C	S	.	.			trans	-120	138.1	-176.2	-61.8	0	0	0	0	111.3	I50 D54 M55 A58 L95 L96 H97	I50-V52 HydrophobicContact CG2-CG1 3.98Å; I50-V52 PolarHBondContact O-N 2.87Å; V52-D54 VanDerWaalsContact C-N 3.3Å; V52-D54 PolarHBondContact O-N 3.17Å; V52-M55 HydrophobicContact CG2-CE 4.4Å; V52-M55 HydrophobicContact CG2-SD 4.04Å; V52-A58 HydrophobicContact CB-CB 3.89Å; V52-A58 HydrophobicContact CG1-CB 3.73Å; V52-A58 HydrophobicContact CG2-CB 4.01Å; V52-L95 HydrophobicContact CG1-CD2 4.35Å; V52-L95 HydrophobicContact CG2-CB 4.4Å; V52-L96 PolarHBondContact N-O 3.34Å; V52-H97 HydrophobicContact CG2-CB 4.41Å; V52-H97 PolarHBondContact O-ND1 3.4Å
53	P	98.2	Very high	98.4	Very high	66 Å²	66	49.9 Å²	49.9	43%	0.429	26%	0.256	S	S	.	.	S	Bend	trans	-78	-15.5	179.8	32.1	-36.2	0	0	0	113.3	H97	P53-H97 PolarHBondContact O-CE1 3.04Å
54	D	98.3	Very high	98.4	Very high	72 Å²	72	52.7 Å²	52.7	39%	0.385	26%	0.262	S	S	.	.			trans	-146.5	111.5	-179.3	-178.2	-39	0	0	0	107.6	V52 E56 K57 A58	V52-D54 VanDerWaalsContact C-N 3.3Å; V52-D54 PolarHBondContact O-N 3.17Å; D54-E56 PolarHBondContact OD1-N 2.84Å; D54-K57 HydrophobicContact CB-CB 4.02Å; D54-K57 VanDerWaalsContact CG-CB 3.49Å; D54-K57 VanDerWaalsContact OD1-CB 3.32Å; D54-K57 WeakPolarHBondContact OD1-CB 3.39Å; D54-K57 PolarHBondContact OD1-N 2.89Å; D54-A58 WeakPolarHBondContact O-CB 3.35Å; D54-A58 PolarHBondContact O-N 3.29Å; D54-A58 VanDerWaalsContact O-N 3.17Å
55	M	98.1	Very high	98.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-71.1	-43.2	-173.3	-175.4	60	88.8	0	0	111.3	V52 A58 T59 K73 Y82 V84 L95 H97	V52-M55 HydrophobicContact CG2-CE 4.4Å; V52-M55 HydrophobicContact CG2-SD 4.04Å; M55-A58 PolarHBondContact O-N 3.06Å; M55-T59 VanDerWaalsContact O-CB 3.24Å; M55-T59 WeakPolarHBondContact O-CB 3.2Å; M55-T59 PolarHBondContact O-N 2.82Å; M55-T59 PolarHBondContact O-OG1 2.81Å; M55-K73 HydrophobicContact CB-CD 4.36Å; M55-K73 HydrophobicContact CG-CD 3.77Å; M55-K73 HydrophobicContact CG-CG 4.26Å; M55-Y82 WeakPolarHBondContact CE-O 3.41Å; M55-V84 HydrophobicContact CE-CB 4.5Å; M55-V84 HydrophobicContact CE-CG2 4.23Å; M55-V84 HydrophobicContact CG-CG2 4Å; M55-V84 HydrophobicContact SD-CB 3.91Å; M55-V84 HydrophobicContact SD-CG2 3.62Å; M55-L95 HydrophobicContact CE-CB 4.41Å; M55-L95 WeakPolarHBondContact CE-O 3.22Å; M55-L95 HydrophobicContact SD-CB 3.94Å; M55-H97 HydrophobicContact CB-CB 4.12Å; M55-H97 HydrophobicContact CE-CB 3.56Å
56	E	97.9	Very high	98.5	Very high	110 Å²	110	53.6 Å²	53.6	51%	0.514	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-46	-178	-70.5	69.5	-157.5	0	0	110.8	D54 T59 A60 K73	D54-E56 PolarHBondContact OD1-N 2.84Å; E56-T59 PolarHBondContact O-N 3.48Å; E56-A60 WeakPolarHBondContact O-CB 3.49Å; E56-A60 PolarHBondContact O-N 2.88Å; E56-K73 IonicContact OE1-NZ 3.33Å; E56-K73 PolarHBondContact OE1-NZ 2.99Å
57	K	98.4	Very high	98.5	Very high	155 Å²	155	55.5 Å²	55.5	67%	0.674	30%	0.301	S	S	*	.	H	α-helix	trans	-65.1	-42.9	177.3	-175.5	179.8	178.4	-179.7	0	112.1	D54 A60 L61	D54-K57 HydrophobicContact CB-CB 4.02Å; D54-K57 VanDerWaalsContact CG-CB 3.49Å; D54-K57 VanDerWaalsContact OD1-CB 3.32Å; D54-K57 WeakPolarHBondContact OD1-CB 3.39Å; D54-K57 PolarHBondContact OD1-N 2.89Å; K57-A60 PolarHBondContact O-N 2.95Å; K57-L61 PolarHBondContact O-N 2.99Å
58	A	98.4	Very high	98.5	Very high	15 Å²	15	56.4 Å²	56.4	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-65	-44.6	178	0	0	0	0	0	111.3	V52 D54 M55 A60 L61 Y62 L95	V52-A58 HydrophobicContact CB-CB 3.89Å; V52-A58 HydrophobicContact CG1-CB 3.73Å; V52-A58 HydrophobicContact CG2-CB 4.01Å; D54-A58 WeakPolarHBondContact O-CB 3.35Å; D54-A58 PolarHBondContact O-N 3.29Å; D54-A58 VanDerWaalsContact O-N 3.17Å; M55-A58 PolarHBondContact O-N 3.06Å; A58-A60 PolarHBondContact O-N 3.06Å; A58-L61 WeakPolarHBondContact O-CB 3.49Å; A58-L61 PolarHBondContact O-N 3.03Å; A58-Y62 VanDerWaalsContact O-CD2 3.25Å; A58-Y62 WeakPolarHBondContact O-CD2 3.35Å; A58-Y62 PolarHBondContact O-N 2.9Å; A58-L95 HydrophobicContact CB-CD1 4.08Å
59	T	98.3	Very high	98.4	Very high	14 Å²	14	59.4 Å²	59.4	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-47.3	176.4	-60.5	0	0	0	0	111.2	M55 E56 L61 Y62 R63 V70 V84	M55-T59 VanDerWaalsContact O-CB 3.24Å; M55-T59 WeakPolarHBondContact O-CB 3.2Å; M55-T59 PolarHBondContact O-N 2.82Å; M55-T59 PolarHBondContact O-OG1 2.81Å; E56-T59 PolarHBondContact O-N 3.48Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 3.45Å; T59-Y62 PolarHBondContact O-N 2.86Å; T59-R63 WeakPolarHBondContact O-CB 3.32Å; T59-R63 PolarHBondContact O-N 2.86Å; T59-V70 HydrophobicContact CG2-CG1 3.78Å; T59-V84 HydrophobicContact CG2-CG1 4.33Å
60	A	98.5	Very high	98.4	Very high	29 Å²	29	60.6 Å²	60.6	24%	0.24	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-37.3	178.1	0	0	0	0	0	112.6	E56 K57 A58 D64	E56-A60 WeakPolarHBondContact O-CB 3.49Å; E56-A60 PolarHBondContact O-N 2.88Å; K57-A60 PolarHBondContact O-N 2.95Å; A58-A60 PolarHBondContact O-N 3.06Å; A60-D64 WeakPolarHBondContact O-CA 3.47Å; A60-D64 VanDerWaalsContact O-CB 3.26Å; A60-D64 WeakPolarHBondContact O-CB 3.38Å; A60-D64 PolarHBondContact O-N 2.79Å
61	L	98.6	Very high	98.4	Very high	81 Å²	81	61.4 Å²	61.4	42%	0.424	35%	0.345	S	S	.	.	I	π-helix	trans	-57.9	-52.7	174.8	175	68	0	0	0	111.2	K57 A58 T59 V65 L66	K57-L61 PolarHBondContact O-N 2.99Å; A58-L61 WeakPolarHBondContact O-CB 3.49Å; A58-L61 PolarHBondContact O-N 3.03Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 PolarHBondContact O-N 3.45Å; L61-V65 HydrophobicContact CD1-CB 4.09Å; L61-V65 HydrophobicContact CD1-CG1 4.32Å; L61-V65 HydrophobicContact CD1-CG2 4.28Å; L61-V65 VanDerWaalsContact O-CB 3.3Å; L61-V65 WeakPolarHBondContact O-CB 3.3Å; L61-V65 PolarHBondContact O-N 2.91Å; L61-L66 HydrophobicContact CG-CD1 4.47Å; L61-L66 PolarHBondContact O-N 2.89Å
62	Y	98.7	Very high	98.3	Very high	45 Å²	45	69.2 Å²	69.2	18%	0.176	38%	0.381	C	S	.	.	I	π-helix	trans	-69.5	-39.9	-177	-72.5	-77	0	0	0	112.6	A58 T59 L66 G67 A68 V86 L93 L95	A58-Y62 VanDerWaalsContact O-CD2 3.25Å; A58-Y62 WeakPolarHBondContact O-CD2 3.35Å; A58-Y62 PolarHBondContact O-N 2.9Å; T59-Y62 PolarHBondContact O-N 2.86Å; Y62-L66 HydrophobicContact CD1-CD1 3.73Å; Y62-L66 HydrophobicContact CE1-CD1 3.96Å; Y62-L66 CarbonylContact O-C 3.53Å; Y62-G67 PolarHBondContact O-N 2.72Å; Y62-A68 WeakPolarHBondContact O-CB 3.22Å; Y62-A68 PolarHBondContact O-N 3.05Å; Y62-V86 HydrophobicContact CD1-CG1 4.05Å; Y62-V86 HydrophobicContact CD1-CG2 4.37Å; Y62-V86 HydrophobicContact CD2-CG2 4.04Å; Y62-V86 HydrophobicContact CG-CG1 4.15Å; Y62-V86 HydrophobicContact CG-CG2 3.83Å; Y62-L93 HydrophobicContact CD1-CD1 4.24Å; Y62-L93 HydrophobicContact CE1-CD1 3.53Å; Y62-L95 HydrophobicContact CD2-CD1 3.88Å; Y62-L95 HydrophobicContact CD2-CD2 4.22Å; Y62-L95 HydrophobicContact CE2-CD1 4.2Å; Y62-L95 HydrophobicContact CE2-CD2 3.74Å
63	R	98.5	Very high	98.2	Very high	116 Å²	116	72.9 Å²	72.9	44%	0.438	40%	0.397	S	S	.	.	I	π-helix	trans	-75	-55.6	-178.9	-175.4	-174.2	62.3	-133.4	-10.8	112.7	T59 G67 V70	T59-R63 WeakPolarHBondContact O-CB 3.32Å; T59-R63 PolarHBondContact O-N 2.86Å; R63-G67 VanDerWaalsContact O-CA 3.31Å; R63-G67 WeakPolarHBondContact O-CA 3.38Å; R63-G67 PolarHBondContact O-N 2.9Å; R63-V70 HydrophobicContact CB-CB 4.22Å; R63-V70 HydrophobicContact CB-CG2 3.77Å
64	D	98.5	Very high	98.1	Very high	102 Å²	102	72.8 Å²	72.8	55%	0.545	40%	0.395	S	S	.	.	I	π-helix	trans	-91.8	-28.7	-164.6	-53	-35.9	0	0	0	112.5	A60	A60-D64 WeakPolarHBondContact O-CA 3.47Å; A60-D64 VanDerWaalsContact O-CB 3.26Å; A60-D64 WeakPolarHBondContact O-CB 3.38Å; A60-D64 PolarHBondContact O-N 2.79Å
65	V	98.5	Very high	98	Very high	106 Å²	106	72.7 Å²	72.7	64%	0.642	40%	0.398	S	S	*	.	I	π-helix	trans	-98.9	-46.2	-178.5	-174.4	0	0	0	0	111.4	L61	L61-V65 HydrophobicContact CD1-CB 4.09Å; L61-V65 HydrophobicContact CD1-CG1 4.32Å; L61-V65 HydrophobicContact CD1-CG2 4.28Å; L61-V65 VanDerWaalsContact O-CB 3.3Å; L61-V65 WeakPolarHBondContact O-CB 3.3Å; L61-V65 PolarHBondContact O-N 2.91Å
66	L	98.4	Very high	97.8	Very high	110 Å²	110	74.1 Å²	74.1	58%	0.576	41%	0.405	S	S	*	.	S	Bend	trans	-91.9	-10.7	-178	-56.8	-179.4	0	0	0	113.4	L61 Y62 A68	L61-L66 HydrophobicContact CG-CD1 4.47Å; L61-L66 PolarHBondContact O-N 2.89Å; Y62-L66 HydrophobicContact CD1-CD1 3.73Å; Y62-L66 HydrophobicContact CE1-CD1 3.96Å; Y62-L66 CarbonylContact O-C 3.53Å; L66-A68 PolarHBondContact O-N 2.82Å
67	G	98.2	Very high	97.6	Very high	64 Å²	64	73.7 Å²	73.7	66%	0.66	41%	0.412	S	S	*	.			trans	74	21.3	173.4	0	0	0	0	0	114.9	Y62 R63	Y62-G67 PolarHBondContact O-N 2.72Å; R63-G67 VanDerWaalsContact O-CA 3.31Å; R63-G67 WeakPolarHBondContact O-CA 3.38Å; R63-G67 PolarHBondContact O-N 2.9Å
68	A	98.5	Very high	97.2	Very high	21 Å²	21	75 Å²	75	17%	0.174	42%	0.421	C	S	.	.			trans	-78.7	155.6	177.7	0	0	0	0	0	111.8	Y62 L66 V70 V86	Y62-A68 WeakPolarHBondContact O-CB 3.22Å; Y62-A68 PolarHBondContact O-N 3.05Å; L66-A68 PolarHBondContact O-N 2.82Å; A68-V70 HydrophobicContact CB-CG2 4.36Å; A68-V86 HydrophobicContact CB-CG1 3.54Å
69	T	98.5	Very high	96.9	Very high	104 Å²	104	77.1 Å²	77.1	64%	0.638	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.9	165.4	-61	0	0	0	0	108.6	E87	T69-E87 PolarHBondContact O-N 3.08Å
70	V	98.4	Very high	96.7	Very high	25 Å²	25	77 Å²	77	15%	0.152	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.2	-175	-172.3	0	0	0	0	109.5	T59 R63 A68 V84 F85 V86	T59-V70 HydrophobicContact CG2-CG1 3.78Å; R63-V70 HydrophobicContact CB-CB 4.22Å; R63-V70 HydrophobicContact CB-CG2 3.77Å; A68-V70 HydrophobicContact CB-CG2 4.36Å; V70-V84 HydrophobicContact CG1-CG1 3.22Å; V70-F85 CarbonylContact C-O 3.56Å; V70-F85 VanDerWaalsContact CA-O 3.32Å; V70-F85 WeakPolarHBondContact CA-O 3.22Å; V70-V86 HydrophobicContact CG1-CG2 4.22Å; V70-V86 HydrophobicContact CG2-CG1 4.25Å; V70-V86 HydrophobicContact CG2-CG2 4.14Å
71	S	97.4	Very high	96.7	Very high	42 Å²	42	76 Å²	76	29%	0.294	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-73.5	168.9	179.3	78.7	0	0	0	0	112.4	F85	S71-F85 PolarHBondContact N-O 3.46Å; S71-F85 PolarHBondContact OG-N 3.36Å
72	E	97	Very high	96.6	Very high	164 Å²	164	75.5 Å²	75.5	77%	0.766	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-65.6	158.6	164.2	-68	-59.6	142.5	0	0	111.4
73	K	97.1	Very high	96.6	Very high	87 Å²	87	73.5 Å²	73.5	38%	0.378	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-73.8	122.1	174.5	-177.7	174.8	68.8	-179.7	0	110.4	M55 E56 Y82 V84	M55-K73 HydrophobicContact CB-CD 4.36Å; M55-K73 HydrophobicContact CG-CD 3.77Å; M55-K73 HydrophobicContact CG-CG 4.26Å; E56-K73 IonicContact OE1-NZ 3.33Å; E56-K73 PolarHBondContact OE1-NZ 2.99Å; K73-Y82 HydrophobicContact CD-CD1 3.91Å; K73-Y82 HydrophobicContact CD-CE1 4.48Å; K73-Y82 HydrophobicContact CD-CG 4.1Å; K73-Y82 HydrophobicContact CG-CD1 3.79Å; K73-Y82 HydrophobicContact CG-CG 4.2Å; K73-V84 HydrophobicContact CB-CG2 3.85Å; K73-V84 HydrophobicContact CG-CG2 4.24Å
74	V	95.8	Very high	96.5	Very high	64 Å²	64	68 Å²	68	39%	0.388	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126	-179.5	-178.5	0	0	0	0	110.2	L76 Y82 T83	V74-L76 HydrophobicContact CG1-CD2 4.25Å; V74-Y82 WeakPolarHBondContact O-CA 3.24Å; V74-T83 HydrophobicContact CB-CG2 3.99Å; V74-T83 PolarHBondContact N-O 3.13Å; V74-T83 PolarHBondContact O-N 2.81Å
75	P	96.3	Very high	96.5	Very high	70 Å²	70	64.7 Å²	64.7	46%	0.455	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.3	170	29.3	-30.5	0	0	0	110.8	P77 Y82 L99	P75-P77 WeakPolarHBondContact O-CD 3.47Å; P75-Y82 HydrophobicContact CB-CD1 3.95Å; P75-Y82 HydrophobicContact CB-CE1 3.7Å; P75-L99 HydrophobicContact CB-CD2 3.96Å
76	L	93.7	Very high	96.5	Very high	32 Å²	32	59.6 Å²	59.6	17%	0.168	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	80.4	171.1	-62.2	176.7	0	0	0	109.4	V74 E78 H79 G80 V81 T83 A150	V74-L76 HydrophobicContact CG1-CD2 4.25Å; L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.48Å; L76-H79 HydrophobicContact CB-CB 4.07Å; L76-H79 CarbonylContact O-C 3.57Å; L76-H79 PolarHBondContact O-N 2.7Å; L76-G80 PolarHBondContact O-N 2.91Å; L76-V81 CarbonylContact C-O 3.48Å; L76-V81 WeakPolarHBondContact CA-O 3.36Å; L76-V81 HydrophobicContact CB-CG2 4.32Å; L76-V81 WeakPolarHBondContact CB-O 3.47Å; L76-V81 HydrophobicContact CD1-CG2 4.47Å; L76-V81 PolarHBondContact N-O 2.81Å; L76-V81 PolarHBondContact O-N 2.85Å; L76-T83 HydrophobicContact CD1-CG2 3.67Å; L76-T83 HydrophobicContact CG-CG2 4.15Å; L76-A150 HydrophobicContact CD1-CB 3.49Å; L76-A150 VanDerWaalsContact CD1-CB 3.49Å
77	P	94.3	Very high	96.5	Very high	101 Å²	101	58 Å²	58	66%	0.656	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.3	-35.9	-174.2	-24	34.3	0	0	0	113.8	P75 H79 G80 L99	P75-P77 WeakPolarHBondContact O-CD 3.47Å; P77-H79 PolarHBondContact O-N 3.21Å; P77-G80 PolarHBondContact O-N 2.87Å; P77-G80 VanDerWaalsContact O-N 3.13Å; P77-L99 HydrophobicContact CB-CD2 4.4Å; P77-L99 HydrophobicContact CG-CD2 4.16Å
78	E	89.9	Confident	96.5	Very high	184 Å²	184	59 Å²	59	86%	0.86	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.2	-29	178	-60.9	-172.7	-177.4	0	0	112.3	L76	L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.48Å
79	H	90.9	Very high	96.4	Very high	59 Å²	59	61.9 Å²	61.9	27%	0.273	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-96.4	-7.6	178	-64.6	-53.8	0	0	0	113.2	L76 P77 V81 P104 I148 G149	L76-H79 HydrophobicContact CB-CB 4.07Å; L76-H79 CarbonylContact O-C 3.57Å; L76-H79 PolarHBondContact O-N 2.7Å; P77-H79 PolarHBondContact O-N 3.21Å; H79-V81 VanDerWaalsContact C-N 3.25Å; H79-V81 HydrophobicContact CB-CG2 3.89Å; H79-V81 PolarHBondContact O-N 2.85Å; H79-P104 VanDerWaalsContact O-CD 3.23Å; H79-P104 WeakPolarHBondContact O-CD 3.22Å; H79-P104 WeakPolarHBondContact O-CG 3.12Å; H79-I148 PolarHBondContact CE1-O 3.1Å; H79-I148 PolarHBondContact NE2-O 2.68Å; H79-G149 PolarHBondContact NE2-O 2.91Å
80	G	95.6	Very high	96.3	Very high	10 Å²	10	63.3 Å²	63.3	10%	0.103	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	32	-176.8	0	0	0	0	0	113.3	L76 P77 L99 S103	L76-G80 PolarHBondContact O-N 2.91Å; P77-G80 PolarHBondContact O-N 2.87Å; P77-G80 VanDerWaalsContact O-N 3.13Å; G80-L99 CarbonylContact C-O 3.55Å; G80-L99 VanDerWaalsContact C-O 3.31Å; G80-L99 VanDerWaalsContact CA-O 3.28Å; G80-L99 WeakPolarHBondContact CA-O 3.47Å; G80-L99 PolarHBondContact O-N 3.45Å; G80-L99 VanDerWaalsContact O-O 3.1Å; G80-S103 WeakPolarHBondContact O-CB 3.4Å; G80-S103 PolarHBondContact O-OG 3.4Å
81	V	97.5	Very high	96.3	Very high	10 Å²	10	63 Å²	63	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.9	177.7	-65.1	0	0	0	0	112.6	L76 H79 L96 H97 I105	L76-V81 CarbonylContact C-O 3.48Å; L76-V81 WeakPolarHBondContact CA-O 3.36Å; L76-V81 HydrophobicContact CB-CG2 4.32Å; L76-V81 WeakPolarHBondContact CB-O 3.47Å; L76-V81 HydrophobicContact CD1-CG2 4.47Å; L76-V81 PolarHBondContact N-O 2.81Å; L76-V81 PolarHBondContact O-N 2.85Å; H79-V81 VanDerWaalsContact C-N 3.25Å; H79-V81 HydrophobicContact CB-CG2 3.89Å; H79-V81 PolarHBondContact O-N 2.85Å; V81-L96 HydrophobicContact CB-CD2 4.42Å; V81-L96 HydrophobicContact CG2-CD2 4.13Å; V81-H97 CarbonylContact C-O 3.48Å; V81-H97 VanDerWaalsContact CA-O 3.3Å; V81-H97 WeakPolarHBondContact CA-O 3.24Å; V81-I105 HydrophobicContact CG1-CD1 3.95Å; V81-I105 HydrophobicContact CG1-CG1 3.93Å
82	Y	97.6	Very high	96.4	Very high	70 Å²	70	64.4 Å²	64.4	28%	0.275	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	143.3	152.3	-69.9	-80.1	0	0	0	108.9	M55 K73 V74 P75 L96 H97 L99	M55-Y82 WeakPolarHBondContact CE-O 3.41Å; K73-Y82 HydrophobicContact CD-CD1 3.91Å; K73-Y82 HydrophobicContact CD-CE1 4.48Å; K73-Y82 HydrophobicContact CD-CG 4.1Å; K73-Y82 HydrophobicContact CG-CD1 3.79Å; K73-Y82 HydrophobicContact CG-CG 4.2Å; V74-Y82 WeakPolarHBondContact O-CA 3.24Å; P75-Y82 HydrophobicContact CB-CD1 3.95Å; P75-Y82 HydrophobicContact CB-CE1 3.7Å; Y82-L96 WeakPolarHBondContact O-CA 3.22Å; Y82-H97 PolarHBondContact N-O 3.5Å; Y82-H97 PolarHBondContact O-N 3.33Å; Y82-L99 HydrophobicContact CD2-CB 3.87Å; Y82-L99 HydrophobicContact CD2-CD1 4.33Å; Y82-L99 HydrophobicContact CE1-CD1 4.47Å; Y82-L99 HydrophobicContact CE2-CB 3.95Å; Y82-L99 HydrophobicContact CE2-CD1 3.56Å; Y82-L99 HydrophobicContact CE2-CG 4.23Å
83	T	97.1	Very high	96.4	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.1	174.4	-171.4	0	0	0	0	111.9	V74 L76 F85 E94 L95	V74-T83 HydrophobicContact CB-CG2 3.99Å; V74-T83 PolarHBondContact N-O 3.13Å; V74-T83 PolarHBondContact O-N 2.81Å; L76-T83 HydrophobicContact CD1-CG2 3.67Å; L76-T83 HydrophobicContact CG-CG2 4.15Å; T83-F85 HydrophobicContact CG2-CE2 3.92Å; T83-F85 HydrophobicContact CG2-CZ 4.3Å; T83-E94 WeakPolarHBondContact CB-OE1 3.06Å; T83-E94 VanDerWaalsContact OG1-CD 3.31Å; T83-E94 WeakPolarHBondContact OG1-CG 3.43Å; T83-E94 PolarHBondContact OG1-OE1 2.89Å; T83-L95 WeakPolarHBondContact CA-O 3.39Å
84	V	98.1	Very high	96.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	131.3	168.7	167	0	0	0	0	107.9	M55 T59 V70 K73 L95	M55-V84 HydrophobicContact CE-CB 4.5Å; M55-V84 HydrophobicContact CE-CG2 4.23Å; M55-V84 HydrophobicContact CG-CG2 4Å; M55-V84 HydrophobicContact SD-CB 3.91Å; M55-V84 HydrophobicContact SD-CG2 3.62Å; T59-V84 HydrophobicContact CG2-CG1 4.33Å; V70-V84 HydrophobicContact CG1-CG1 3.22Å; K73-V84 HydrophobicContact CB-CG2 3.85Å; K73-V84 HydrophobicContact CG-CG2 4.24Å; V84-L95 HydrophobicContact CB-CB 4.24Å; V84-L95 HydrophobicContact CG1-CD1 4.27Å; V84-L95 PolarHBondContact N-O 3.06Å; V84-L95 PolarHBondContact O-N 2.94Å
85	F	97.8	Very high	96.6	Very high	31 Å²	31	50.7 Å²	50.7	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.3	179	-65.4	-77.8	0	0	0	111.6	V70 S71 T83 K92 L93 E94 H151	V70-F85 CarbonylContact C-O 3.56Å; V70-F85 VanDerWaalsContact CA-O 3.32Å; V70-F85 WeakPolarHBondContact CA-O 3.22Å; S71-F85 PolarHBondContact N-O 3.46Å; S71-F85 PolarHBondContact OG-N 3.36Å; T83-F85 HydrophobicContact CG2-CE2 3.92Å; T83-F85 HydrophobicContact CG2-CZ 4.3Å; F85-K92 HydrophobicContact CD1-CD 4.16Å; F85-L93 WeakPolarHBondContact CA-O 3.4Å; F85-E94 HydrophobicContact CD1-CB 4.29Å; F85-E94 HydrophobicContact CD1-CG 4.11Å; F85-E94 HydrophobicContact CE1-CB 4.08Å; F85-E94 HydrophobicContact CE1-CG 3.64Å; F85-E94 HydrophobicContact CZ-CG 4.17Å; F85-H151 AromaticContact CE1-NE2 3.33Å; F85-H151 VanDerWaalsContact CE1-NE2 3.33Å; F85-H151 WeakPolarHBondContact CE1-NE2 3.39Å; F85-H151 AromaticContact CZ-CD2 3.82Å; F85-H151 AromaticContact CZ-NE2 3.3Å; F85-H151 VanDerWaalsContact CZ-NE2 3.3Å; F85-H151 WeakPolarHBondContact CZ-NE2 3.23Å
86	V	98.6	Very high	96.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117	170	-175.9	0	0	0	0	108.3	Y62 A68 V70 L88 K92 L93 L95	Y62-V86 HydrophobicContact CD1-CG1 4.05Å; Y62-V86 HydrophobicContact CD1-CG2 4.37Å; Y62-V86 HydrophobicContact CD2-CG2 4.04Å; Y62-V86 HydrophobicContact CG-CG1 4.15Å; Y62-V86 HydrophobicContact CG-CG2 3.83Å; A68-V86 HydrophobicContact CB-CG1 3.54Å; V70-V86 HydrophobicContact CG1-CG2 4.22Å; V70-V86 HydrophobicContact CG2-CG1 4.25Å; V70-V86 HydrophobicContact CG2-CG2 4.14Å; V86-L88 HydrophobicContact CG1-CD2 4.15Å; V86-K92 WeakPolarHBondContact O-CA 3.33Å; V86-L93 HydrophobicContact CB-CB 4.05Å; V86-L93 HydrophobicContact CG2-CB 4.41Å; V86-L93 PolarHBondContact N-O 3Å; V86-L93 PolarHBondContact O-N 2.84Å; V86-L95 HydrophobicContact CG2-CD1 4.02Å; V86-L95 HydrophobicContact CG2-CG 4.12Å
87	E	98	Very high	97	Very high	76 Å²	76	48.6 Å²	48.6	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.3	-177.1	-63.1	-67	167.1	0	0	110.9	T69 K92	T69-E87 PolarHBondContact O-N 3.08Å; E87-K92 WeakPolarHBondContact OE1-CD 2.95Å; E87-K92 WeakPolarHBondContact OE1-CE 3.1Å; E87-K92 IonicContact OE1-NZ 2.7Å; E87-K92 PolarHBondContact OE1-NZ 3.32Å; E87-K92 WeakPolarHBondContact OE2-CE 3.15Å; E87-K92 WeakPolarHBondContact OE2-CG 2.97Å; E87-K92 IonicContact OE2-NZ 3.59Å
88	L	98.1	Very high	97.2	Very high	85 Å²	85	45.1 Å²	45.1	45%	0.445	24%	0.243	S	C	.	.			trans	-114.8	3.8	179.7	-56.2	180	0	0	0	113.2	V86 N90 T91 L93	V86-L88 HydrophobicContact CG1-CD2 4.15Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.22Å; L88-N90 VanDerWaalsContact O-N 3.12Å; L88-N90 PolarHBondContact O-OD1 3.48Å; L88-T91 WeakPolarHBondContact CB-O 3.42Å; L88-T91 PolarHBondContact N-O 3.31Å; L88-T91 VanDerWaalsContact N-O 3.14Å; L88-L93 HydrophobicContact CD1-CD1 4.33Å; L88-L93 HydrophobicContact CD1-CD2 4.2Å; L88-L93 HydrophobicContact CD1-CG 3.9Å
89	G	96.8	Very high	97.5	Very high	82 Å²	82	38.1 Å²	38.1	85%	0.845	21%	0.211	S	C	*	.	S	Bend	trans	84.3	-51.2	-179.2	0	0	0	0	0	113.7
90	N	97.4	Very high	97.7	Very high	134 Å²	134	37.9 Å²	37.9	72%	0.717	23%	0.225	S	C	*	.	S	Bend	trans	-88.4	-24.7	178.6	70.6	-48.7	0	0	0	113.9	L88	L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.22Å; L88-N90 VanDerWaalsContact O-N 3.12Å; L88-N90 PolarHBondContact O-OD1 3.48Å
91	T	98.2	Very high	97.5	Very high	18 Å²	18	46.7 Å²	46.7	11%	0.11	26%	0.264	C	S	.	.	S	Bend	trans	-161.6	-173.7	179.3	-167.2	0	0	0	0	108.9	L45 N46 L88	L45-T91 HydrophobicContact CD2-CG2 4.34Å; L45-T91 PolarHBondContact O-OG1 3.39Å; L45-T91 VanDerWaalsContact O-OG1 3.06Å; N46-T91 PolarHBondContact O-OG1 2.81Å; L88-T91 WeakPolarHBondContact CB-O 3.42Å; L88-T91 PolarHBondContact N-O 3.31Å; L88-T91 VanDerWaalsContact N-O 3.14Å
92	K	98.1	Very high	97.3	Very high	71 Å²	71	55.8 Å²	55.8	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.7	178.4	-53.6	-172.1	-172.2	-158.7	0	111.9	N46 H47 I48 F85 V86 E87	N46-K92 PolarHBondContact O-N 2.74Å; H47-K92 VanDerWaalsContact CA-O 3.22Å; H47-K92 WeakPolarHBondContact CA-O 3.26Å; H47-K92 HydrophobicContact CB-CB 4.14Å; H47-K92 WeakPolarHBondContact CB-O 3.36Å; I48-K92 PolarHBondContact N-O 2.98Å; F85-K92 HydrophobicContact CD1-CD 4.16Å; V86-K92 WeakPolarHBondContact O-CA 3.33Å; E87-K92 WeakPolarHBondContact OE1-CD 2.95Å; E87-K92 WeakPolarHBondContact OE1-CE 3.1Å; E87-K92 IonicContact OE1-NZ 2.7Å; E87-K92 PolarHBondContact OE1-NZ 3.32Å; E87-K92 WeakPolarHBondContact OE2-CE 3.15Å; E87-K92 WeakPolarHBondContact OE2-CG 2.97Å; E87-K92 IonicContact OE2-NZ 3.59Å
93	L	98.6	Very high	97.3	Very high	21 Å²	21	52.9 Å²	52.9	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.9	155.8	-50.4	175.6	0	0	0	108.3	I48 I50 Y62 F85 V86 L88	I48-L93 HydrophobicContact CB-CD2 3.98Å; I48-L93 WeakPolarHBondContact O-CA 3.41Å; I50-L93 HydrophobicContact CD1-CB 4.41Å; I50-L93 HydrophobicContact CD1-CD1 4.1Å; I50-L93 HydrophobicContact CD1-CD2 4.36Å; Y62-L93 HydrophobicContact CD1-CD1 4.24Å; Y62-L93 HydrophobicContact CE1-CD1 3.53Å; F85-L93 WeakPolarHBondContact CA-O 3.4Å; V86-L93 HydrophobicContact CB-CB 4.05Å; V86-L93 HydrophobicContact CG2-CB 4.41Å; V86-L93 PolarHBondContact N-O 3Å; V86-L93 PolarHBondContact O-N 2.84Å; L88-L93 HydrophobicContact CD1-CD1 4.33Å; L88-L93 HydrophobicContact CD1-CD2 4.2Å; L88-L93 HydrophobicContact CD1-CG 3.9Å
94	E	98.3	Very high	97.1	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.028	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.7	172	-167.8	-177.7	-161.2	0	0	108.9	H47 I48 A49 I50 T83 F85 L96	H47-E94 IonicContact CD2-OE2 3.56Å; H47-E94 IonicContact CE1-OE2 2.9Å; H47-E94 IonicContact NE2-OE2 3.9Å; H47-E94 PolarHBondContact NE2-OE2 2.8Å; I48-E94 PolarHBondContact O-N 3.25Å; A49-E94 CarbonylContact C-O 3.51Å; A49-E94 VanDerWaalsContact CA-O 3.3Å; A49-E94 WeakPolarHBondContact CA-O 3.36Å; A49-E94 HydrophobicContact CB-CB 4.5Å; I50-E94 PolarHBondContact N-O 2.92Å; T83-E94 WeakPolarHBondContact CB-OE1 3.06Å; T83-E94 VanDerWaalsContact OG1-CD 3.31Å; T83-E94 WeakPolarHBondContact OG1-CG 3.43Å; T83-E94 PolarHBondContact OG1-OE1 2.89Å; F85-E94 HydrophobicContact CD1-CB 4.29Å; F85-E94 HydrophobicContact CD1-CG 4.11Å; F85-E94 HydrophobicContact CE1-CB 4.08Å; F85-E94 HydrophobicContact CE1-CG 3.64Å; F85-E94 HydrophobicContact CZ-CG 4.17Å; E94-L96 HydrophobicContact CG-CD2 3.82Å; E94-L96 HydrophobicContact CG-CG 4.3Å
95	L	98.6	Very high	97.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.5	175.4	-50.5	-178.1	0	0	0	108.5	I50 V52 M55 A58 Y62 T83 V84 V86	I50-L95 HydrophobicContact CB-CD2 4.12Å; I50-L95 HydrophobicContact CD1-CD2 4.32Å; I50-L95 WeakPolarHBondContact O-CA 3.33Å; V52-L95 HydrophobicContact CG1-CD2 4.35Å; V52-L95 HydrophobicContact CG2-CB 4.4Å; M55-L95 HydrophobicContact CE-CB 4.41Å; M55-L95 WeakPolarHBondContact CE-O 3.22Å; M55-L95 HydrophobicContact SD-CB 3.94Å; A58-L95 HydrophobicContact CB-CD1 4.08Å; Y62-L95 HydrophobicContact CD2-CD1 3.88Å; Y62-L95 HydrophobicContact CD2-CD2 4.22Å; Y62-L95 HydrophobicContact CE2-CD1 4.2Å; Y62-L95 HydrophobicContact CE2-CD2 3.74Å; T83-L95 WeakPolarHBondContact CA-O 3.39Å; V84-L95 HydrophobicContact CB-CB 4.24Å; V84-L95 HydrophobicContact CG1-CD1 4.27Å; V84-L95 PolarHBondContact N-O 3.06Å; V84-L95 PolarHBondContact O-N 2.94Å; V86-L95 HydrophobicContact CG2-CD1 4.02Å; V86-L95 HydrophobicContact CG2-CG 4.12Å
96	L	98.5	Very high	97.1	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.7	-177.6	-61.1	178.6	0	0	0	111	A49 I50 A51 V52 V81 Y82 E94 I105	A49-L96 HydrophobicContact CB-CD1 3.93Å; I50-L96 PolarHBondContact O-N 3.36Å; A51-L96 CarbonylContact C-O 3.21Å; A51-L96 WeakPolarHBondContact CA-O 3.05Å; V52-L96 PolarHBondContact N-O 3.34Å; V81-L96 HydrophobicContact CB-CD2 4.42Å; V81-L96 HydrophobicContact CG2-CD2 4.13Å; Y82-L96 WeakPolarHBondContact O-CA 3.22Å; E94-L96 HydrophobicContact CG-CD2 3.82Å; E94-L96 HydrophobicContact CG-CG 4.3Å; L96-I105 HydrophobicContact CB-CD1 3.73Å
97	H	98.4	Very high	97	Very high	51 Å²	51	59 Å²	59	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142	172.1	-170.4	75	0	0	0	110.2	V52 P53 M55 V81 Y82 L99	V52-H97 HydrophobicContact CG2-CB 4.41Å; V52-H97 PolarHBondContact O-ND1 3.4Å; P53-H97 PolarHBondContact O-CE1 3.04Å; M55-H97 HydrophobicContact CB-CB 4.12Å; M55-H97 HydrophobicContact CE-CB 3.56Å; V81-H97 CarbonylContact C-O 3.48Å; V81-H97 VanDerWaalsContact CA-O 3.3Å; V81-H97 WeakPolarHBondContact CA-O 3.24Å; Y82-H97 PolarHBondContact N-O 3.5Å; Y82-H97 PolarHBondContact O-N 3.33Å; H97-L99 PolarHBondContact O-N 2.67Å
98	P	98.3	Very high	97	Very high	28 Å²	28	57.7 Å²	57.7	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	136.3	179.5	-27.4	34.1	0	0	0	113.4	S103 I105 L109	P98-S103 WeakPolarHBondContact CA-OG 3.35Å; P98-I105 HydrophobicContact CG-CD1 4.25Å; P98-I105 HydrophobicContact CG-CG1 4.09Å; P98-L109 VanDerWaalsContact CD-CD1 3.47Å; P98-L109 HydrophobicContact CG-CD1 3.66Å
99	L	97.6	Very high	97	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.188	32%	0.319	C	S	.	.			trans	-122.3	117.6	166.7	169.5	61.7	0	0	0	108.4	P75 P77 G80 Y82 H97	P75-L99 HydrophobicContact CB-CD2 3.96Å; P77-L99 HydrophobicContact CB-CD2 4.4Å; P77-L99 HydrophobicContact CG-CD2 4.16Å; G80-L99 CarbonylContact C-O 3.55Å; G80-L99 VanDerWaalsContact C-O 3.31Å; G80-L99 VanDerWaalsContact CA-O 3.28Å; G80-L99 WeakPolarHBondContact CA-O 3.47Å; G80-L99 PolarHBondContact O-N 3.45Å; G80-L99 VanDerWaalsContact O-O 3.1Å; Y82-L99 HydrophobicContact CD2-CB 3.87Å; Y82-L99 HydrophobicContact CD2-CD1 4.33Å; Y82-L99 HydrophobicContact CE1-CD1 4.47Å; Y82-L99 HydrophobicContact CE2-CB 3.95Å; Y82-L99 HydrophobicContact CE2-CD1 3.56Å; Y82-L99 HydrophobicContact CE2-CG 4.23Å; H97-L99 PolarHBondContact O-N 2.67Å
100	G	95.1	Very high	97	Very high	55 Å²	55	57.5 Å²	57.5	57%	0.567	31%	0.31	S	S	*	.	S	Bend	trans	78.8	167.1	-175.9	0	0	0	0	0	114	K102	G100-K102 VanDerWaalsContact C-N 3.27Å; G100-K102 PolarHBondContact O-N 2.9Å
101	E	91.1	Very high	97.1	Very high	194 Å²	194	59.8 Å²	59.8	91%	0.907	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.7	-172.2	-61.8	-177.6	168.3	0	0	113.8
102	K	93.2	Very high	97.1	Very high	202 Å²	202	62.2 Å²	62.2	88%	0.878	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	21.8	-175.1	-62.3	-176.6	-179.3	177.4	0	113.5	G100	G100-K102 VanDerWaalsContact C-N 3.27Å; G100-K102 PolarHBondContact O-N 2.9Å
103	S	96.5	Very high	97.1	Very high	8 Å²	8	67.1 Å²	67.1	6%	0.056	35%	0.348	C	S	.	.			trans	-56.1	134.2	178.6	179.5	0	0	0	0	111.8	G80 P98 I105 S106	G80-S103 WeakPolarHBondContact O-CB 3.4Å; G80-S103 PolarHBondContact O-OG 3.4Å; P98-S103 WeakPolarHBondContact CA-OG 3.35Å; S103-I105 PolarHBondContact O-N 3.08Å; S103-I105 WeakPolarHBondContact OG-CG1 3.44Å; S103-S106 WeakPolarHBondContact CB-OG 3.32Å; S103-S106 WeakPolarHBondContact O-CB 3.21Å; S103-S106 PolarHBondContact O-N 3.02Å; S103-S106 PolarHBondContact O-OG 3.48Å
104	P	94.6	Very high	97	Very high	97 Å²	97	71.7 Å²	71.7	63%	0.63	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.6	-179.2	25.4	-34.3	0	0	0	112.8	H79	H79-P104 VanDerWaalsContact O-CD 3.23Å; H79-P104 WeakPolarHBondContact O-CD 3.22Å; H79-P104 WeakPolarHBondContact O-CG 3.12Å
105	I	97.1	Very high	97	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.021	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.2	-178.2	65.2	162	0	0	0	113.6	A51 V81 L96 P98 S103 G107 F108 L109	A51-I105 HydrophobicContact CB-CD1 4.28Å; V81-I105 HydrophobicContact CG1-CD1 3.95Å; V81-I105 HydrophobicContact CG1-CG1 3.93Å; L96-I105 HydrophobicContact CB-CD1 3.73Å; P98-I105 HydrophobicContact CG-CD1 4.25Å; P98-I105 HydrophobicContact CG-CG1 4.09Å; S103-I105 PolarHBondContact O-N 3.08Å; S103-I105 WeakPolarHBondContact OG-CG1 3.44Å; I105-G107 VanDerWaalsContact C-N 3.33Å; I105-G107 PolarHBondContact O-N 2.99Å; I105-F108 WeakPolarHBondContact O-CB 3.47Å; I105-F108 PolarHBondContact O-N 3.18Å; I105-F108 VanDerWaalsContact O-N 3.08Å; I105-L109 PolarHBondContact O-N 3.23Å; I105-L109 VanDerWaalsContact O-N 3.08Å
106	S	97.3	Very high	97	Very high	28 Å²	28	73.4 Å²	73.4	20%	0.196	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-45.6	178.4	-76.5	0	0	0	0	112.1	S103 F108 L109 Q110	S103-S106 WeakPolarHBondContact CB-OG 3.32Å; S103-S106 WeakPolarHBondContact O-CB 3.21Å; S103-S106 PolarHBondContact O-N 3.02Å; S103-S106 PolarHBondContact O-OG 3.48Å; S106-F108 VanDerWaalsContact C-N 3.27Å; S106-F108 PolarHBondContact O-N 2.89Å; S106-L109 PolarHBondContact O-N 3.43Å; S106-Q110 VanDerWaalsContact O-CG 3.31Å; S106-Q110 WeakPolarHBondContact O-CG 3.38Å; S106-Q110 PolarHBondContact O-N 3.37Å
107	G	97.2	Very high	97	Very high	34 Å²	34	79.9 Å²	79.9	35%	0.351	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-30.8	178.2	0	0	0	0	0	113.2	I105 K111	I105-G107 VanDerWaalsContact C-N 3.33Å; I105-G107 PolarHBondContact O-N 2.99Å; G107-K111 PolarHBondContact O-N 3.5Å
108	F	98.1	Very high	97	Very high	49 Å²	49	79.3 Å²	79.3	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-67.2	-47.6	174.7	-178	-86	0	0	0	110.9	A51 I105 S106 Q110 K111 N112 M117 H118	A51-F108 HydrophobicContact CB-CD1 3.68Å; A51-F108 HydrophobicContact CB-CE1 3.88Å; I105-F108 WeakPolarHBondContact O-CB 3.47Å; I105-F108 PolarHBondContact O-N 3.18Å; I105-F108 VanDerWaalsContact O-N 3.08Å; S106-F108 VanDerWaalsContact C-N 3.27Å; S106-F108 PolarHBondContact O-N 2.89Å; F108-Q110 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 3.36Å; F108-K111 PolarHBondContact O-N 2.99Å; F108-N112 HydrophobicContact CD1-CB 4.25Å; F108-N112 HydrophobicContact CE1-CB 3.92Å; F108-N112 WeakPolarHBondContact CE2-ND2 3.37Å; F108-N112 HydrophobicContact CZ-CB 4.35Å; F108-N112 WeakPolarHBondContact CZ-ND2 3.44Å; F108-N112 WeakPolarHBondContact O-CB 3.3Å; F108-N112 PolarHBondContact O-N 3.19Å; F108-N112 PolarHBondContact O-ND2 2.76Å; F108-M117 WeakPolarHBondContact CZ-O 3.38Å; F108-H118 AromaticContact CD2-CD2 3.78Å; F108-H118 AromaticContact CG-CD2 3.72Å
109	L	98.2	Very high	97	Very high	20 Å²	20	78.7 Å²	78.7	11%	0.105	42%	0.424	C	S	.	.	H	α-helix	trans	-69.7	-27.7	179.3	-73.1	174.5	0	0	0	113.4	A51 P98 I105 S106 K111 N112 K113	A51-L109 HydrophobicContact CB-CD2 4Å; A51-L109 HydrophobicContact CB-CG 4.2Å; P98-L109 VanDerWaalsContact CD-CD1 3.47Å; P98-L109 HydrophobicContact CG-CD1 3.66Å; I105-L109 PolarHBondContact O-N 3.23Å; I105-L109 VanDerWaalsContact O-N 3.08Å; S106-L109 PolarHBondContact O-N 3.43Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.08Å; L109-N112 CarbonylContact O-C 3.51Å; L109-N112 PolarHBondContact O-N 3.25Å; L109-K113 WeakPolarHBondContact O-CA 3.5Å; L109-K113 PolarHBondContact O-N 3.35Å
110	Q	97.4	Very high	97.1	Very high	143 Å²	143	79.3 Å²	79.3	67%	0.668	43%	0.427	S	S	*	.	H	α-helix	trans	-62.2	-40	171.2	-74.3	170.9	21.9	0	0	112.1	S106 F108	S106-Q110 VanDerWaalsContact O-CG 3.31Å; S106-Q110 WeakPolarHBondContact O-CG 3.38Å; S106-Q110 PolarHBondContact O-N 3.37Å; F108-Q110 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 3.36Å
111	K	98.2	Very high	97.3	Very high	183 Å²	183	76.7 Å²	76.7	80%	0.796	40%	0.4	S	S	*	.	H	α-helix	trans	-78.2	-39	176.6	-66.4	175.6	-176.8	176.2	0	111.7	G107 F108 L109	G107-K111 PolarHBondContact O-N 3.5Å; F108-K111 PolarHBondContact O-N 2.99Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.08Å
112	N	98.1	Very high	97.6	Very high	68 Å²	68	68.9 Å²	68.9	36%	0.364	37%	0.365	S	S	.	.			trans	-112.9	74.4	-176.5	-54.9	-67.1	0	0	0	109.7	F108 L109 S114 G115	F108-N112 HydrophobicContact CD1-CB 4.25Å; F108-N112 HydrophobicContact CE1-CB 3.92Å; F108-N112 WeakPolarHBondContact CE2-ND2 3.37Å; F108-N112 HydrophobicContact CZ-CB 4.35Å; F108-N112 WeakPolarHBondContact CZ-ND2 3.44Å; F108-N112 WeakPolarHBondContact O-CB 3.3Å; F108-N112 PolarHBondContact O-N 3.19Å; F108-N112 PolarHBondContact O-ND2 2.76Å; L109-N112 CarbonylContact O-C 3.51Å; L109-N112 PolarHBondContact O-N 3.25Å; N112-S114 PolarHBondContact O-N 2.6Å; N112-G115 PolarHBondContact O-N 3.43Å
113	K	97.9	Very high	97.9	Very high	175 Å²	175	60.2 Å²	60.2	76%	0.761	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.6	-171.3	-62	-173	179.8	-178.5	0	114.4	L109	L109-K113 WeakPolarHBondContact O-CA 3.5Å; L109-K113 PolarHBondContact O-N 3.35Å
114	S	98	Very high	97.9	Very high	116 Å²	116	59.9 Å²	59.9	81%	0.811	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	1.4	178.1	-57.9	0	0	0	0	113.7	N112	N112-S114 PolarHBondContact O-N 2.6Å
115	G	98.5	Very high	98	Very high	18 Å²	18	58.7 Å²	58.7	19%	0.186	31%	0.313	C	S	.	.			trans	85.7	-174.9	-169.5	0	0	0	0	0	113.1	A51 N112	A51-G115 CarbonylContact O-C 3.59Å; A51-G115 WeakPolarHBondContact O-CA 3.45Å; N112-G115 PolarHBondContact O-N 3.43Å
116	G	98.5	Very high	98	Very high	25 Å²	25	61.6 Å²	61.6	26%	0.258	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	168	177.5	0	0	0	0	0	113.5	I50 A51 H118	I50-G116 WeakPolarHBondContact CA-O 3.32Å; A51-G116 PolarHBondContact N-O 3.46Å; A51-G116 PolarHBondContact O-N 2.68Å; G116-H118 PolarHBondContact O-N 3.18Å
117	M	98.6	Very high	98	Very high	144 Å²	144	60.5 Å²	60.5	71%	0.709	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	127.7	171.4	-66.6	-174	-60.6	0	0	109.4	I48 F108	I48-M117 HydrophobicContact CG2-CG 4.44Å; I48-M117 HydrophobicContact CG2-SD 4.37Å; F108-M117 WeakPolarHBondContact CZ-O 3.38Å
118	H	98.4	Very high	97.8	Very high	39 Å²	39	63.5 Å²	63.5	18%	0.181	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-52.1	-175.8	-173.4	-81.9	0	0	0	111.6	A49 A51 F108 G116 L167	A49-H118 PolarHBondContact O-N 2.72Å; A51-H118 HydrophobicContact CB-CB 4.38Å; F108-H118 AromaticContact CD2-CD2 3.78Å; F108-H118 AromaticContact CG-CD2 3.72Å; G116-H118 PolarHBondContact O-N 3.18Å; H118-L167 VanDerWaalsContact CE1-CD2 3.47Å; H118-L167 WeakPolarHBondContact CE1-CD2 3.42Å
119	H	98.5	Very high	97.7	Very high	14 Å²	14	62 Å²	62	7%	0.065	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	167.9	-178.4	68.7	-93.6	0	0	0	111.4	H47 A49 F157 L167 E169	H47-H119 AromaticContact NE2-CD2 3.99Å; H47-H119 AromaticContact NE2-NE2 3.34Å; H47-H119 PolarHBondContact NE2-NE2 3.5Å; A49-H119 WeakPolarHBondContact CB-CE1 3.31Å; A49-H119 WeakPolarHBondContact CB-ND1 3.46Å; A49-H119 PolarHBondContact N-O 2.95Å; H119-F157 HydrophobicContact CB-CE1 4.42Å; H119-F157 AromaticContact CD2-CE1 3.83Å; H119-F157 AromaticContact CG-CE1 3.97Å; H119-F157 AromaticContact NE2-CE1 3.99Å; H119-L167 VanDerWaalsContact CA-O 3.24Å; H119-L167 WeakPolarHBondContact CA-O 3.36Å; H119-L167 HydrophobicContact CB-CB 3.79Å; H119-L167 HydrophobicContact CB-CD2 3.9Å; H119-L167 HydrophobicContact CB-CG 3.69Å; H119-L167 VanDerWaalsContact CB-O 3.22Å; H119-L167 WeakPolarHBondContact CB-O 3.26Å; H119-E169 IonicContact CD2-OE2 3.59Å; H119-E169 IonicContact NE2-OE2 3.96Å
120	I	98.7	Very high	97.6	Very high	49 Å²	49	61.1 Å²	61.1	25%	0.251	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.2	168.1	63.6	176.2	0	0	0	109	L45 I48 I122 V166 L167 V168 E169	L45-I120 HydrophobicContact CD1-CB 4.12Å; I48-I120 HydrophobicContact CG1-CG2 4.27Å; I48-I120 HydrophobicContact CG2-CG2 4.43Å; I120-I122 HydrophobicContact CD1-CD1 4.12Å; I120-I122 HydrophobicContact CD1-CG1 4.49Å; I120-V166 HydrophobicContact CD1-CG1 4.08Å; I120-V166 HydrophobicContact CG1-CG1 3.97Å; I120-V166 HydrophobicContact CG2-CG1 4.5Å; I120-L167 PolarHBondContact N-O 2.77Å; I120-L167 VanDerWaalsContact N-O 3.08Å; I120-V168 HydrophobicContact CD1-CG2 4.2Å; I120-V168 HydrophobicContact CG1-CG1 4.47Å; I120-V168 HydrophobicContact CG1-CG2 4.09Å; I120-E169 PolarHBondContact O-N 2.84Å
121	C	98.6	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.5	176.5	-177.8	0	0	0	0	110.8	L45 N46 H47 E169 E171	L45-C121 WeakPolarHBondContact CD1-O 3.34Å; N46-C121 HydrophobicContact CB-CB 4.23Å; N46-C121 PolarHBondContact N-O 2.9Å; H47-C121 WeakPolarHBondContact CE1-CB 3.4Å; H47-C121 WeakPolarHBondContact ND1-CB 3.49Å; H47-C121 WeakPolarHBondContact NE2-CB 3.14Å; H47-C121 PolarHBondContact O-N 3.11Å; C121-E169 WeakPolarHBondContact CA-O 3.41Å; C121-E169 HydrophobicContact CB-CB 4.03Å; C121-E169 HydrophobicContact CB-CG 4.42Å; C121-E169 VanDerWaalsContact CB-OE2 3.26Å; C121-E169 WeakPolarHBondContact CB-OE2 3.44Å; C121-E169 PolarHBondContact SG-OE2 3.3Å; C121-E171 VanDerWaalsContact SG-CB 3.58Å
122	I	98.5	Very high	97.3	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.159	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.9	-178.3	-50.2	173.6	0	0	0	108.7	L42 L45 I120 V168 E169 L170 E171	L42-I122 HydrophobicContact CD1-CB 4.29Å; L42-I122 HydrophobicContact CD1-CG2 3.54Å; L42-I122 HydrophobicContact CD2-CG2 4.29Å; L42-I122 HydrophobicContact CG-CG2 3.7Å; L45-I122 HydrophobicContact CD1-CG1 4.3Å; I120-I122 HydrophobicContact CD1-CD1 4.12Å; I120-I122 HydrophobicContact CD1-CG1 4.49Å; I122-V168 HydrophobicContact CD1-CG1 4.21Å; I122-E169 PolarHBondContact N-O 2.97Å; I122-L170 HydrophobicContact CB-CD2 4.35Å; I122-L170 WeakPolarHBondContact O-CA 3.4Å; I122-E171 PolarHBondContact O-N 2.99Å; I122-E171 VanDerWaalsContact O-N 3.11Å
123	E	98.3	Very high	97.1	Very high	20 Å²	20	46.7 Å²	46.7	9%	0.093	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	149.6	179.2	-64.2	176.8	-177.8	0	0	111.6	G43 K44 N46 E171 A173	G43-E123 WeakPolarHBondContact CA-O 3.43Å; G43-E123 PolarHBondContact N-O 3.14Å; K44-E123 WeakPolarHBondContact CE-OE1 3.25Å; K44-E123 WeakPolarHBondContact CE-OE2 3.37Å; K44-E123 HydrophobicContact CG-CG 4.41Å; K44-E123 VanDerWaalsContact CG-OE2 3.22Å; K44-E123 WeakPolarHBondContact CG-OE2 3.35Å; K44-E123 IonicContact NZ-OE1 3.67Å; K44-E123 PolarHBondContact O-N 3.32Å; N46-E123 HydrophobicContact CB-CG 4Å; N46-E123 PolarHBondContact ND2-OE1 2.96Å; E123-E171 CarbonylContact C-O 3.51Å; E123-E171 VanDerWaalsContact CA-O 3.26Å; E123-E171 WeakPolarHBondContact CA-O 3.38Å; E123-A173 HydrophobicContact CB-CB 4.19Å
124	V	97.9	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.1	168.8	-64.2	0	0	0	0	109.8	W40 K41 L42 I127 A130 L170 E171 A173	W40-V124 HydrophobicContact CE3-CB 4.13Å; W40-V124 HydrophobicContact CE3-CG1 3.67Å; W40-V124 HydrophobicContact CZ3-CB 4.5Å; W40-V124 HydrophobicContact CZ3-CG1 3.56Å; K41-V124 WeakPolarHBondContact O-CA 3.3Å; L42-V124 HydrophobicContact CD1-CG1 4.16Å; V124-I127 HydrophobicContact CG2-CB 4.07Å; V124-I127 HydrophobicContact CG2-CD1 3.68Å; V124-I127 HydrophobicContact CG2-CG1 4.49Å; V124-A130 HydrophobicContact CB-CB 4.43Å; V124-A130 HydrophobicContact CG1-CB 4.43Å; V124-A130 HydrophobicContact CG2-CB 4.28Å; V124-L170 HydrophobicContact CG1-CB 4.3Å; V124-L170 HydrophobicContact CG1-CD1 4.32Å; V124-L170 HydrophobicContact CG1-CD2 4.01Å; V124-L170 HydrophobicContact CG1-CG 4.44Å; V124-L170 HydrophobicContact CG2-CB 4.41Å; V124-E171 PolarHBondContact N-O 2.78Å; V124-A173 WeakPolarHBondContact O-CB 3.49Å; V124-A173 PolarHBondContact O-N 3.46Å
125	D	97.1	Very high	96.8	Very high	73 Å²	73	37.5 Å²	37.5	39%	0.39	22%	0.215	S	C	.	.	S	Bend	trans	-79.6	-17.8	-178	64	-11.5	0	0	0	114.5	W40 K41	W40-D125 WeakPolarHBondContact CA-OD1 3.31Å; W40-D125 WeakPolarHBondContact CB-OD1 3.39Å; K41-D125 WeakPolarHBondContact CB-OD2 3.44Å; K41-D125 WeakPolarHBondContact CD-OD2 3.26Å; K41-D125 WeakPolarHBondContact CG-OD2 3.41Å; K41-D125 VanDerWaalsContact N-CG 3.34Å; K41-D125 PolarHBondContact N-OD1 3.1Å; K41-D125 PolarHBondContact N-OD2 3.41Å; K41-D125 PolarHBondContact O-N 3.12Å
126	D	96.3	Very high	96.6	Very high	64 Å²	64	40.7 Å²	40.7	34%	0.342	24%	0.235	S	C	.	.			trans	-152.2	102.4	169.9	-178	-25.4	0	0	0	109.4	T128 A129 A130	D126-T128 VanDerWaalsContact C-N 3.26Å; D126-T128 PolarHBondContact O-N 2.68Å; D126-T128 WeakPolarHBondContact OD1-CA 3.26Å; D126-T128 WeakPolarHBondContact OD1-CB 3.3Å; D126-T128 PolarHBondContact OD1-N 2.81Å; D126-A129 HydrophobicContact CB-CB 3.95Å; D126-A129 PolarHBondContact O-N 2.86Å; D126-A129 PolarHBondContact OD1-N 3.12Å; D126-A130 VanDerWaalsContact O-CB 3.29Å; D126-A130 WeakPolarHBondContact O-CB 3.5Å; D126-A130 PolarHBondContact O-N 2.91Å
127	I	96.3	Very high	96.4	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-31.5	-179.9	-167.6	61.9	0	0	0	112.4	V124 A130 V131 P146 P154 M156 L170 E172	V124-I127 HydrophobicContact CG2-CB 4.07Å; V124-I127 HydrophobicContact CG2-CD1 3.68Å; V124-I127 HydrophobicContact CG2-CG1 4.49Å; I127-A130 PolarHBondContact O-N 3.37Å; I127-V131 HydrophobicContact CD1-CG2 4.32Å; I127-V131 HydrophobicContact CG1-CG2 4.4Å; I127-V131 WeakPolarHBondContact O-CB 3.33Å; I127-V131 VanDerWaalsContact O-CG2 3.26Å; I127-V131 WeakPolarHBondContact O-CG2 3.46Å; I127-V131 PolarHBondContact O-N 2.84Å; I127-P146 HydrophobicContact CG1-CB 4.34Å; I127-P146 HydrophobicContact CG1-CG 4.29Å; I127-P154 HydrophobicContact CG2-CB 3.85Å; I127-P154 HydrophobicContact CG2-CG 4.49Å; I127-M156 HydrophobicContact CD1-CB 4.17Å; I127-L170 HydrophobicContact CD1-CB 3.72Å; I127-L170 WeakPolarHBondContact CD1-O 3.32Å; I127-E172 VanDerWaalsContact CB-OE2 3.26Å; I127-E172 WeakPolarHBondContact CB-OE2 3.38Å; I127-E172 VanDerWaalsContact CG2-OE2 3.28Å; I127-E172 WeakPolarHBondContact CG2-OE2 3.41Å; I127-E172 PolarHBondContact N-OE2 3.02Å
128	T	94.8	Very high	96.3	Very high	97 Å²	97	43.8 Å²	43.8	60%	0.595	24%	0.244	S	C	*	.	H	α-helix	trans	-73.8	-46.9	-177.2	-63	0	0	0	0	109.4	D126 A130 V131 A132	D126-T128 VanDerWaalsContact C-N 3.26Å; D126-T128 PolarHBondContact O-N 2.68Å; D126-T128 WeakPolarHBondContact OD1-CA 3.26Å; D126-T128 WeakPolarHBondContact OD1-CB 3.3Å; D126-T128 PolarHBondContact OD1-N 2.81Å; T128-A130 VanDerWaalsContact C-N 3.32Å; T128-A130 PolarHBondContact O-N 2.79Å; T128-V131 PolarHBondContact O-N 2.85Å; T128-A132 WeakPolarHBondContact O-CB 3.42Å; T128-A132 PolarHBondContact O-N 2.76Å
129	A	95.3	Very high	96.2	Very high	19 Å²	19	44.2 Å²	44.2	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-41.1	172.1	0	0	0	0	0	111.4	L39 W40 D126 D133	L39-A129 HydrophobicContact CB-CB 4.24Å; W40-A129 HydrophobicContact CB-CB 4.23Å; D126-A129 HydrophobicContact CB-CB 3.95Å; D126-A129 PolarHBondContact O-N 2.86Å; D126-A129 PolarHBondContact OD1-N 3.12Å; A129-D133 VanDerWaalsContact O-CB 3.29Å; A129-D133 WeakPolarHBondContact O-CB 3.32Å; A129-D133 PolarHBondContact O-N 2.86Å
130	A	95.8	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-51.6	177.1	0	0	0	0	0	112.6	W40 V124 D126 I127 T128 A132 D133 L134	W40-A130 HydrophobicContact CB-CB 4.27Å; W40-A130 VanDerWaalsContact CD1-CA 3.46Å; W40-A130 HydrophobicContact CD2-CB 3.48Å; W40-A130 VanDerWaalsContact CD2-CB 3.48Å; W40-A130 HydrophobicContact CE3-CB 3.73Å; W40-A130 HydrophobicContact CG-CB 3.73Å; W40-A130 HydrophobicContact CH2-CB 4.47Å; W40-A130 HydrophobicContact CZ2-CB 4.28Å; W40-A130 HydrophobicContact CZ3-CB 4.22Å; V124-A130 HydrophobicContact CB-CB 4.43Å; V124-A130 HydrophobicContact CG1-CB 4.43Å; V124-A130 HydrophobicContact CG2-CB 4.28Å; D126-A130 VanDerWaalsContact O-CB 3.29Å; D126-A130 WeakPolarHBondContact O-CB 3.5Å; D126-A130 PolarHBondContact O-N 2.91Å; I127-A130 PolarHBondContact O-N 3.37Å; T128-A130 VanDerWaalsContact C-N 3.32Å; T128-A130 PolarHBondContact O-N 2.79Å; A130-A132 PolarHBondContact O-N 2.83Å; A130-D133 PolarHBondContact O-N 2.78Å; A130-L134 WeakPolarHBondContact O-CB 3.14Å; A130-L134 WeakPolarHBondContact O-CG 3.35Å; A130-L134 PolarHBondContact O-N 2.9Å
131	V	94.8	Very high	96	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-41.2	-179.2	170.6	0	0	0	0	111.8	I127 T128 L134 K135 P146 M156	I127-V131 HydrophobicContact CD1-CG2 4.32Å; I127-V131 HydrophobicContact CG1-CG2 4.4Å; I127-V131 WeakPolarHBondContact O-CB 3.33Å; I127-V131 VanDerWaalsContact O-CG2 3.26Å; I127-V131 WeakPolarHBondContact O-CG2 3.46Å; I127-V131 PolarHBondContact O-N 2.84Å; T128-V131 PolarHBondContact O-N 2.85Å; V131-L134 PolarHBondContact O-N 3.32Å; V131-K135 HydrophobicContact CG1-CD 4.05Å; V131-K135 HydrophobicContact CG1-CG 4.42Å; V131-K135 WeakPolarHBondContact O-CB 3.48Å; V131-K135 VanDerWaalsContact O-CG 3.3Å; V131-K135 WeakPolarHBondContact O-CG 3.47Å; V131-K135 PolarHBondContact O-N 2.84Å; V131-P146 HydrophobicContact CG2-CG 4.21Å; V131-M156 HydrophobicContact CG1-CE 4.09Å; V131-M156 HydrophobicContact CG2-CB 3.65Å; V131-M156 HydrophobicContact CG2-CE 4.15Å; V131-M156 HydrophobicContact CG2-CG 3.67Å
132	A	94.4	Very high	95.7	Very high	60 Å²	60	52.3 Å²	52.3	50%	0.496	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-46.7	176.8	0	0	0	0	0	112	T128 A130 K135 S136	T128-A132 WeakPolarHBondContact O-CB 3.42Å; T128-A132 PolarHBondContact O-N 2.76Å; A130-A132 PolarHBondContact O-N 2.83Å; A132-K135 PolarHBondContact O-N 2.65Å; A132-S136 PolarHBondContact O-N 3.39Å
133	D	94.9	Very high	95.3	Very high	26 Å²	26	52.2 Å²	52.2	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-44.2	178.1	177.6	52.8	0	0	0	111.8	W40 A129 A130 K135 S136 K137	W40-D133 PolarHBondContact NE1-OD2 3.15Å; A129-D133 VanDerWaalsContact O-CB 3.29Å; A129-D133 WeakPolarHBondContact O-CB 3.32Å; A129-D133 PolarHBondContact O-N 2.86Å; A130-D133 PolarHBondContact O-N 2.78Å; D133-K135 PolarHBondContact O-N 3.21Å; D133-S136 WeakPolarHBondContact O-CB 3.4Å; D133-S136 PolarHBondContact O-N 2.65Å; D133-S136 PolarHBondContact O-OG 2.84Å; D133-K137 WeakPolarHBondContact O-CG 3.48Å; D133-K137 PolarHBondContact O-N 3.35Å; D133-K137 VanDerWaalsContact O-N 3.13Å; D133-K137 WeakPolarHBondContact OD1-CE 3.41Å; D133-K137 IonicContact OD1-NZ 3.36Å; D133-K137 PolarHBondContact OD1-NZ 2.86Å; D133-K137 IonicContact OD2-NZ 3.81Å; D133-K137 PolarHBondContact OD2-NZ 2.91Å
134	L	94.6	Very high	94.9	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-42.3	177.2	-72.1	169.6	0	0	0	112.6	W40 A130 V131 S136 K137 N138 I139 L158 L170	W40-L134 HydrophobicContact CH2-CD1 4.49Å; W40-L134 HydrophobicContact CZ2-CD1 4.36Å; W40-L134 HydrophobicContact CZ2-CD2 4.21Å; W40-L134 HydrophobicContact CZ2-CG 4.09Å; A130-L134 WeakPolarHBondContact O-CB 3.14Å; A130-L134 WeakPolarHBondContact O-CG 3.35Å; A130-L134 PolarHBondContact O-N 2.9Å; V131-L134 PolarHBondContact O-N 3.32Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 2.99Å; L134-K137 CarbonylContact O-C 3.56Å; L134-K137 PolarHBondContact O-N 3.44Å; L134-K137 VanDerWaalsContact O-N 3.14Å; L134-N138 PolarHBondContact O-N 3.49Å; L134-I139 HydrophobicContact CB-CB 4.23Å; L134-I139 HydrophobicContact CD2-CB 4.32Å; L134-I139 HydrophobicContact CD2-CG1 4.06Å; L134-I139 HydrophobicContact CD2-CG2 4.45Å; L134-I139 WeakPolarHBondContact O-CB 3.34Å; L134-I139 PolarHBondContact O-N 3.49Å; L134-L158 HydrophobicContact CD1-CD1 4.24Å; L134-L158 HydrophobicContact CD1-CD2 3.92Å; L134-L170 HydrophobicContact CD1-CD1 3.51Å
135	K	93.6	Very high	94.6	Very high	78 Å²	78	60.6 Å²	60.6	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-42.6	173.2	-76.2	175.2	178.2	174.7	0	111.3	V131 A132 D133 K137 N138 A144 E145	V131-K135 HydrophobicContact CG1-CD 4.05Å; V131-K135 HydrophobicContact CG1-CG 4.42Å; V131-K135 WeakPolarHBondContact O-CB 3.48Å; V131-K135 VanDerWaalsContact O-CG 3.3Å; V131-K135 WeakPolarHBondContact O-CG 3.47Å; V131-K135 PolarHBondContact O-N 2.84Å; A132-K135 PolarHBondContact O-N 2.65Å; D133-K135 PolarHBondContact O-N 3.21Å; K135-K137 PolarHBondContact O-N 2.84Å; K135-N138 PolarHBondContact O-N 3.47Å; K135-A144 WeakPolarHBondContact CE-O 3.45Å; K135-A144 PolarHBondContact NZ-O 3.06Å; K135-E145 IonicContact NZ-OE1 3.72Å; K135-E145 PolarHBondContact NZ-OE1 3.44Å
136	S	94.8	Very high	94.4	Very high	86 Å²	86	59 Å²	59	60%	0.601	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-25.8	177.1	84.1	0	0	0	0	113.2	A132 D133 L134 N138	A132-S136 PolarHBondContact O-N 3.39Å; D133-S136 WeakPolarHBondContact O-CB 3.4Å; D133-S136 PolarHBondContact O-N 2.65Å; D133-S136 PolarHBondContact O-OG 2.84Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 2.99Å; S136-N138 VanDerWaalsContact C-N 3.33Å
137	K	94.8	Very high	94.3	Very high	92 Å²	92	62.1 Å²	62.1	40%	0.4	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	9	176.3	-68.3	167.1	179.8	166.3	0	113.3	D133 L134 K135 I139	D133-K137 WeakPolarHBondContact O-CG 3.48Å; D133-K137 PolarHBondContact O-N 3.35Å; D133-K137 VanDerWaalsContact O-N 3.13Å; D133-K137 WeakPolarHBondContact OD1-CE 3.41Å; D133-K137 IonicContact OD1-NZ 3.36Å; D133-K137 PolarHBondContact OD1-NZ 2.86Å; D133-K137 IonicContact OD2-NZ 3.81Å; D133-K137 PolarHBondContact OD2-NZ 2.91Å; L134-K137 CarbonylContact O-C 3.56Å; L134-K137 PolarHBondContact O-N 3.44Å; L134-K137 VanDerWaalsContact O-N 3.14Å; K135-K137 PolarHBondContact O-N 2.84Å; K137-I139 VanDerWaalsContact C-N 3.26Å; K137-I139 HydrophobicContact CB-CG1 4.27Å; K137-I139 PolarHBondContact O-N 3.04Å
138	N	95.6	Very high	94.1	Very high	142 Å²	142	66.4 Å²	66.4	76%	0.759	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	30	-178.3	-55.8	-68.1	0	0	0	114.3	L134 K135 S136	L134-N138 PolarHBondContact O-N 3.49Å; K135-N138 PolarHBondContact O-N 3.47Å; S136-N138 VanDerWaalsContact C-N 3.33Å
139	I	96.6	Very high	93.8	Very high	48 Å²	48	62 Å²	62	25%	0.246	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-82.3	127.2	171	-55.3	-57.4	0	0	0	108.9	L134 K137 L158 D162	L134-I139 HydrophobicContact CB-CB 4.23Å; L134-I139 HydrophobicContact CD2-CB 4.32Å; L134-I139 HydrophobicContact CD2-CG1 4.06Å; L134-I139 HydrophobicContact CD2-CG2 4.45Å; L134-I139 WeakPolarHBondContact O-CB 3.34Å; L134-I139 PolarHBondContact O-N 3.49Å; K137-I139 VanDerWaalsContact C-N 3.26Å; K137-I139 HydrophobicContact CB-CG1 4.27Å; K137-I139 PolarHBondContact O-N 3.04Å; I139-L158 HydrophobicContact CG2-CD2 4.46Å; I139-D162 HydrophobicContact CD1-CB 4.48Å; I139-D162 HydrophobicContact CG2-CB 4.14Å
140	R	96.9	Very high	93.3	Very high	105 Å²	105	62.8 Å²	62.8	40%	0.396	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-74.4	130.8	-178.8	-67.4	171	-75.3	-157.6	-14.4	111.2	H159 K161 D162	R140-H159 HydrophobicContact CB-CB 3.61Å; R140-H159 PolarHBondContact O-N 2.73Å; R140-K161 PolarHBondContact NH2-O 3.24Å; R140-D162 WeakPolarHBondContact CB-OD2 3.01Å; R140-D162 VanDerWaalsContact CG-OD2 3.25Å; R140-D162 WeakPolarHBondContact CG-OD2 3.09Å; R140-D162 IonicContact CZ-OD1 2.65Å; R140-D162 IonicContact CZ-OD2 3.57Å; R140-D162 PolarHBondContact N-OD2 3.34Å; R140-D162 IonicContact NE-OD1 3.42Å; R140-D162 PolarHBondContact NE-OD1 2.95Å; R140-D162 IonicContact NE-OD2 3.42Å; R140-D162 PolarHBondContact NE-OD2 3.21Å; R140-D162 IonicContact NH2-OD1 3.39Å; R140-D162 PolarHBondContact NH2-OD1 2.98Å; R140-D162 IonicContact NH2-OD2 2.76Å
141	T	96.3	Very high	92.9	Very high	33 Å²	33	65.8 Å²	65.8	20%	0.202	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-99.7	155.8	167	57.2	0	0	0	0	110.7	S143 M156 F157 L158	T141-S143 WeakPolarHBondContact CB-O 3.48Å; T141-S143 PolarHBondContact OG1-O 3.37Å; T141-M156 VanDerWaalsContact CB-SD 3.53Å; T141-M156 HydrophobicContact CG2-CE 4.36Å; T141-M156 HydrophobicContact CG2-CG 3.81Å; T141-M156 HydrophobicContact CG2-SD 3.79Å; T141-F157 CarbonylContact C-O 3.58Å; T141-F157 WeakPolarHBondContact CA-O 3.29Å; T141-L158 HydrophobicContact CG2-CD2 4.13Å
142	L	93.2	Very high	92.6	Very high	94 Å²	94	68.1 Å²	68.1	49%	0.492	39%	0.386	S	S	.	.	S	Bend	trans	-82.5	-25.6	176.9	-64.5	-167.7	0	0	0	113.3	F157 H159 L167	L142-F157 HydrophobicContact CB-CB 3.97Å; L142-F157 HydrophobicContact CD1-CB 3.69Å; L142-F157 HydrophobicContact CD1-CG 4.42Å; L142-F157 HydrophobicContact CG-CB 3.83Å; L142-F157 PolarHBondContact N-O 2.95Å; L142-H159 HydrophobicContact CD2-CB 3.97Å; L142-L167 HydrophobicContact CD1-CD1 3.69Å
143	S	90.3	Very high	92.6	Very high	30 Å²	30	68.2 Å²	68.2	21%	0.21	38%	0.375	C	S	.	.	S	Bend	trans	-118.8	161.7	173.1	60.9	0	0	0	0	111.1	T141 E145 M156	T141-S143 WeakPolarHBondContact CB-O 3.48Å; T141-S143 PolarHBondContact OG1-O 3.37Å; S143-E145 WeakPolarHBondContact CB-O 3.25Å; S143-E145 PolarHBondContact OG-O 2.73Å; S143-M156 WeakPolarHBondContact OG-CE 3.17Å; S143-M156 PolarHBondContact OG-SD 3.5Å
144	A	88.7	Confident	92.7	Very high	75 Å²	75	69.1 Å²	69.1	62%	0.62	38%	0.383	S	S	*	.	S	Bend	trans	-68.4	-44.5	174.3	0	0	0	0	0	111	K135	K135-A144 WeakPolarHBondContact CE-O 3.45Å; K135-A144 PolarHBondContact NZ-O 3.06Å
145	E	91.9	Very high	92.9	Very high	121 Å²	121	68.5 Å²	68.5	57%	0.565	38%	0.38	S	S	*	.	S	Bend	trans	-127.4	157.2	-178.3	-64.1	-54.8	137.4	0	0	110.9	K135 S143 M156	K135-E145 IonicContact NZ-OE1 3.72Å; K135-E145 PolarHBondContact NZ-OE1 3.44Å; S143-E145 WeakPolarHBondContact CB-O 3.25Å; S143-E145 PolarHBondContact OG-O 2.73Å; E145-M156 WeakPolarHBondContact O-CE 3.46Å
146	P	93.5	Very high	93	Very high	38 Å²	38	64.8 Å²	64.8	25%	0.247	36%	0.363	C	S	.	.			trans	-55.3	143.6	172.6	-23	33.2	0	0	0	111.5	I127 V131 P154 V155 M156	I127-P146 HydrophobicContact CG1-CB 4.34Å; I127-P146 HydrophobicContact CG1-CG 4.29Å; V131-P146 HydrophobicContact CG2-CG 4.21Å; P146-P154 HydrophobicContact CB-CB 4.34Å; P146-V155 CarbonylContact C-O 3.46Å; P146-V155 VanDerWaalsContact CA-O 3.24Å; P146-V155 WeakPolarHBondContact CA-O 3.03Å; P146-M156 HydrophobicContact CG-CE 4.27Å
147	Q	92.4	Very high	93.2	Very high	130 Å²	130	63.1 Å²	63.1	61%	0.607	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	161.4	176.8	-58.4	-168.3	-73.3	0	0	109.7	G149 P154 V155	Q147-G149 PolarHBondContact O-N 3.38Å; Q147-P154 CarbonylContact O-C 3.51Å; Q147-P154 WeakPolarHBondContact O-CA 3.16Å; Q147-V155 PolarHBondContact N-O 2.9Å; Q147-V155 WeakPolarHBondContact O-CG2 3.28Å; Q147-V155 PolarHBondContact O-N 3.48Å
148	I	92.8	Very high	93.3	Very high	95 Å²	95	59.3 Å²	59.3	49%	0.487	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118	174.2	-61.3	-56.8	0	0	0	108.7	H79 K153 P154	H79-I148 PolarHBondContact CE1-O 3.1Å; H79-I148 PolarHBondContact NE2-O 2.68Å; I148-K153 CarbonylContact C-O 3.6Å; I148-K153 WeakPolarHBondContact CA-O 3.44Å; I148-P154 HydrophobicContact CD1-CG 4.24Å
149	G	88.6	Confident	93.4	Very high	5 Å²	5	55.2 Å²	55.2	5%	0.052	31%	0.305	C	S	.	.			trans	-79.1	-172.4	-179.9	0	0	0	0	0	113.9	H79 Q147 H151 G152 K153	H79-G149 PolarHBondContact NE2-O 2.91Å; Q147-G149 PolarHBondContact O-N 3.38Å; G149-H151 PolarHBondContact O-N 3.49Å; G149-G152 PolarHBondContact O-N 3.2Å; G149-G152 VanDerWaalsContact O-N 3.1Å; G149-K153 PolarHBondContact N-O 3.13Å
150	A	85.4	Confident	93.4	Very high	35 Å²	35	54.6 Å²	54.6	29%	0.289	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.2	-177.6	0	0	0	0	0	113.5	L76 G152	L76-A150 HydrophobicContact CD1-CB 3.49Å; L76-A150 VanDerWaalsContact CD1-CB 3.49Å; A150-G152 VanDerWaalsContact C-N 3.32Å
151	H	86.5	Confident	93.5	Very high	63 Å²	63	57 Å²	57	29%	0.292	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.2	178.9	-55.2	147	0	0	0	114.1	N46 H47 F85 G149 K153 E171	N46-H151 PolarHBondContact OD1-CE1 3.26Å; N46-H151 VanDerWaalsContact OD1-CE1 3.25Å; H47-H151 AromaticContact ND1-CE1 3.71Å; F85-H151 AromaticContact CE1-NE2 3.33Å; F85-H151 VanDerWaalsContact CE1-NE2 3.33Å; F85-H151 WeakPolarHBondContact CE1-NE2 3.39Å; F85-H151 AromaticContact CZ-CD2 3.82Å; F85-H151 AromaticContact CZ-NE2 3.3Å; F85-H151 VanDerWaalsContact CZ-NE2 3.3Å; F85-H151 WeakPolarHBondContact CZ-NE2 3.23Å; G149-H151 PolarHBondContact O-N 3.49Å; H151-K153 PolarHBondContact O-N 3.49Å; H151-E171 IonicContact CE1-OE1 2.96Å; H151-E171 IonicContact CE1-OE2 3.94Å; H151-E171 IonicContact CG-OE1 3.52Å; H151-E171 IonicContact CG-OE2 3.94Å; H151-E171 IonicContact ND1-OE1 2.68Å; H151-E171 PolarHBondContact ND1-OE1 2.86Å; H151-E171 IonicContact ND1-OE2 2.99Å; H151-E171 PolarHBondContact ND1-OE2 2.88Å
152	G	89.2	Confident	93.5	Very high	54 Å²	54	58 Å²	58	56%	0.557	32%	0.322	S	S	*	.	S	Bend	trans	73.9	13.3	-177.6	0	0	0	0	0	114	G149 A150	G149-G152 PolarHBondContact O-N 3.2Å; G149-G152 VanDerWaalsContact O-N 3.1Å; A150-G152 VanDerWaalsContact C-N 3.32Å
153	K	95.1	Very high	93.7	Very high	63 Å²	63	54.6 Å²	54.6	27%	0.274	31%	0.306	S	S	.	.	S	Bend	trans	-108.8	156.1	177.9	-62.9	-164.7	-175.3	-172.8	0	111.6	I148 G149 H151 E171 E172 A173	I148-K153 CarbonylContact C-O 3.6Å; I148-K153 WeakPolarHBondContact CA-O 3.44Å; G149-K153 PolarHBondContact N-O 3.13Å; H151-K153 PolarHBondContact O-N 3.49Å; K153-E171 HydrophobicContact CB-CG 4.1Å; K153-E171 HydrophobicContact CD-CG 4.33Å; K153-E172 WeakPolarHBondContact CD-O 3.42Å; K153-E172 PolarHBondContact NZ-O 3.39Å; K153-A173 PolarHBondContact NZ-O 2.68Å; K153-A173 PolarHBondContact NZ-OXT 3.42Å
154	P	96.9	Very high	94	Very high	45 Å²	45	61.3 Å²	61.3	29%	0.292	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	135.6	171.7	-22.9	34.2	0	0	0	112.3	I127 P146 Q147 I148 E172	I127-P154 HydrophobicContact CG2-CB 3.85Å; I127-P154 HydrophobicContact CG2-CG 4.49Å; P146-P154 HydrophobicContact CB-CB 4.34Å; Q147-P154 CarbonylContact O-C 3.51Å; Q147-P154 WeakPolarHBondContact O-CA 3.16Å; I148-P154 HydrophobicContact CD1-CG 4.24Å; P154-E172 PolarHBondContact O-N 3.01Å
155	V	97.3	Very high	94.4	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.4	177.8	-56.5	0	0	0	0	111.8	P146 Q147 F157 E169 L170 E171	P146-V155 CarbonylContact C-O 3.46Å; P146-V155 VanDerWaalsContact CA-O 3.24Å; P146-V155 WeakPolarHBondContact CA-O 3.03Å; Q147-V155 PolarHBondContact N-O 2.9Å; Q147-V155 WeakPolarHBondContact O-CG2 3.28Å; Q147-V155 PolarHBondContact O-N 3.48Å; V155-F157 HydrophobicContact CG2-CE2 4.38Å; V155-E169 HydrophobicContact CB-CG 4.02Å; V155-E169 WeakPolarHBondContact CB-OE1 3.35Å; V155-E169 HydrophobicContact CG1-CG 4.38Å; V155-E169 WeakPolarHBondContact CG1-OE1 3.5Å; V155-E169 WeakPolarHBondContact CG2-OE1 3.3Å; V155-L170 CarbonylContact C-O 3.4Å; V155-L170 WeakPolarHBondContact CA-O 3.47Å; V155-E171 HydrophobicContact CG1-CB 3.85Å; V155-E171 HydrophobicContact CG1-CG 3.83Å
156	M	97.3	Very high	94.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.5	171.7	177.4	56.7	74.2	0	0	110.9	I127 V131 T141 S143 E145 P146 L158 E169 L170	I127-M156 HydrophobicContact CD1-CB 4.17Å; V131-M156 HydrophobicContact CG1-CE 4.09Å; V131-M156 HydrophobicContact CG2-CB 3.65Å; V131-M156 HydrophobicContact CG2-CE 4.15Å; V131-M156 HydrophobicContact CG2-CG 3.67Å; T141-M156 VanDerWaalsContact CB-SD 3.53Å; T141-M156 HydrophobicContact CG2-CE 4.36Å; T141-M156 HydrophobicContact CG2-CG 3.81Å; T141-M156 HydrophobicContact CG2-SD 3.79Å; S143-M156 WeakPolarHBondContact OG-CE 3.17Å; S143-M156 PolarHBondContact OG-SD 3.5Å; E145-M156 WeakPolarHBondContact O-CE 3.46Å; P146-M156 HydrophobicContact CG-CE 4.27Å; M156-L158 HydrophobicContact CG-CD2 4.44Å; M156-E169 CarbonylContact O-C 3.57Å; M156-E169 WeakPolarHBondContact O-CA 3.45Å; M156-L170 PolarHBondContact N-O 3.32Å; M156-L170 PolarHBondContact O-N 3.01Å
157	F	97.6	Very high	94.9	Very high	50 Å²	50	57.2 Å²	57.2	22%	0.219	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.1	173.2	-74.3	-92.3	0	0	0	111.9	H119 T141 L142 V155 L167 V168 E169	H119-F157 HydrophobicContact CB-CE1 4.42Å; H119-F157 AromaticContact CD2-CE1 3.83Å; H119-F157 AromaticContact CG-CE1 3.97Å; H119-F157 AromaticContact NE2-CE1 3.99Å; T141-F157 CarbonylContact C-O 3.58Å; T141-F157 WeakPolarHBondContact CA-O 3.29Å; L142-F157 HydrophobicContact CB-CB 3.97Å; L142-F157 HydrophobicContact CD1-CB 3.69Å; L142-F157 HydrophobicContact CD1-CG 4.42Å; L142-F157 HydrophobicContact CG-CB 3.83Å; L142-F157 PolarHBondContact N-O 2.95Å; V155-F157 HydrophobicContact CG2-CE2 4.38Å; F157-L167 HydrophobicContact CB-CD1 4.2Å; F157-L167 HydrophobicContact CD1-CD1 3.71Å; F157-L167 HydrophobicContact CD1-CD2 4.06Å; F157-L167 HydrophobicContact CD1-CG 3.79Å; F157-L167 HydrophobicContact CE1-CD2 4.27Å; F157-L167 HydrophobicContact CE1-CG 4.28Å; F157-L167 HydrophobicContact CG-CD1 4.41Å; F157-V168 CarbonylContact C-O 3.59Å; F157-V168 WeakPolarHBondContact CA-O 3.24Å; F157-E169 HydrophobicContact CD1-CB 3.94Å; F157-E169 HydrophobicContact CD1-CG 4.43Å; F157-E169 HydrophobicContact CD2-CG 4.44Å; F157-E169 HydrophobicContact CE1-CB 3.63Å; F157-E169 HydrophobicContact CE1-CG 4.03Å; F157-E169 HydrophobicContact CE2-CB 4.49Å; F157-E169 HydrophobicContact CE2-CG 4Å; F157-E169 WeakPolarHBondContact CE2-OE1 3.4Å; F157-E169 HydrophobicContact CZ-CB 3.92Å; F157-E169 HydrophobicContact CZ-CG 3.78Å; F157-E169 WeakPolarHBondContact CZ-OE1 3.43Å
158	L	98	Very high	95.2	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.3	172.5	-50.3	-174.7	0	0	0	110.4	L134 I139 T141 M156 L167 V168 L170	L134-L158 HydrophobicContact CD1-CD1 4.24Å; L134-L158 HydrophobicContact CD1-CD2 3.92Å; I139-L158 HydrophobicContact CG2-CD2 4.46Å; T141-L158 HydrophobicContact CG2-CD2 4.13Å; M156-L158 HydrophobicContact CG-CD2 4.44Å; L158-L167 VanDerWaalsContact O-CD1 3.32Å; L158-L167 WeakPolarHBondContact O-CD1 3.39Å; L158-V168 HydrophobicContact CB-CB 4.33Å; L158-V168 HydrophobicContact CD1-CB 4.38Å; L158-V168 HydrophobicContact CD1-CG1 4.34Å; L158-V168 HydrophobicContact CG-CB 4.49Å; L158-V168 PolarHBondContact N-O 3.31Å; L158-L170 HydrophobicContact CD1-CD1 4.25Å; L158-L170 HydrophobicContact CD1-CG 4.44Å; L158-L170 HydrophobicContact CD2-CD1 4.4Å
159	H	97.5	Very high	95.4	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.259	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-70.4	131.1	-177.1	-168.5	-71	0	0	0	110.6	R140 L142 K161 D162	R140-H159 HydrophobicContact CB-CB 3.61Å; R140-H159 PolarHBondContact O-N 2.73Å; L142-H159 HydrophobicContact CD2-CB 3.97Å; H159-K161 VanDerWaalsContact CE1-CG 3.5Å; H159-K161 WeakPolarHBondContact CE1-CG 3.28Å; H159-K161 WeakPolarHBondContact ND1-CB 3.26Å; H159-K161 PolarHBondContact ND1-N 3.38Å; H159-K161 PolarHBondContact O-N 2.77Å; H159-D162 PolarHBondContact O-N 3.37Å
160	P	96.8	Very high	95.9	Very high	36 Å²	36	47.6 Å²	47.6	23%	0.234	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29.9	-173.7	-27.8	32.9	0	0	0	115.7	D162 C163 D164 G165 V166 L167	P160-D162 PolarHBondContact O-N 3.26Å; P160-C163 CarbonylContact O-C 3.31Å; P160-C163 PolarHBondContact O-N 3.14Å; P160-D164 PolarHBondContact O-N 2.96Å; P160-G165 WeakPolarHBondContact O-CA 3.49Å; P160-G165 PolarHBondContact O-N 3.3Å; P160-V166 WeakPolarHBondContact CA-O 3.29Å; P160-L167 HydrophobicContact CG-CB 4.01Å; P160-L167 HydrophobicContact CG-CD1 4.21Å
161	K	97.4	Very high	96.5	Very high	156 Å²	156	46.1 Å²	46.1	68%	0.678	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-61.7	-16	175.1	-69.4	176.1	-179.5	177.3	0	114.5	R140 H159	R140-K161 PolarHBondContact NH2-O 3.24Å; H159-K161 VanDerWaalsContact CE1-CG 3.5Å; H159-K161 WeakPolarHBondContact CE1-CG 3.28Å; H159-K161 WeakPolarHBondContact ND1-CB 3.26Å; H159-K161 PolarHBondContact ND1-N 3.38Å; H159-K161 PolarHBondContact O-N 2.77Å
162	D	97.7	Very high	97	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-107.4	5.1	172.8	-62.6	-29.8	0	0	0	112.4	I139 R140 H159 P160	I139-D162 HydrophobicContact CD1-CB 4.48Å; I139-D162 HydrophobicContact CG2-CB 4.14Å; R140-D162 WeakPolarHBondContact CB-OD2 3.01Å; R140-D162 VanDerWaalsContact CG-OD2 3.25Å; R140-D162 WeakPolarHBondContact CG-OD2 3.09Å; R140-D162 IonicContact CZ-OD1 2.65Å; R140-D162 IonicContact CZ-OD2 3.57Å; R140-D162 PolarHBondContact N-OD2 3.34Å; R140-D162 IonicContact NE-OD1 3.42Å; R140-D162 PolarHBondContact NE-OD1 2.95Å; R140-D162 IonicContact NE-OD2 3.42Å; R140-D162 PolarHBondContact NE-OD2 3.21Å; R140-D162 IonicContact NH2-OD1 3.39Å; R140-D162 PolarHBondContact NH2-OD1 2.98Å; R140-D162 IonicContact NH2-OD2 2.76Å; H159-D162 PolarHBondContact O-N 3.37Å; P160-D162 PolarHBondContact O-N 3.26Å
163	C	96.6	Very high	97.3	Very high	22 Å²	22	47.1 Å²	47.1	15%	0.149	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	40.6	-174.7	-59.8	0	0	0	0	110.9	P160 G165 V166 V168	P160-C163 CarbonylContact O-C 3.31Å; P160-C163 PolarHBondContact O-N 3.14Å; C163-G165 PolarHBondContact O-N 3.03Å; C163-V166 VanDerWaalsContact CB-O 3.22Å; C163-V166 WeakPolarHBondContact CB-O 3.43Å; C163-V166 WeakPolarHBondContact O-CB 3.2Å; C163-V166 PolarHBondContact O-N 3.48Å; C163-V168 HydrophobicContact CB-CG2 3.84Å
164	D	96.6	Very high	97.4	Very high	171 Å²	171	46.3 Å²	46.3	91%	0.914	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	32.2	176.3	-58.4	-53.4	0	0	0	114.6	P160	P160-D164 PolarHBondContact O-N 2.96Å
165	G	96.6	Very high	97.4	Very high	61 Å²	61	46.4 Å²	46.4	63%	0.629	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-0.6	-179.7	0	0	0	0	0	114.9	P160 C163	P160-G165 WeakPolarHBondContact O-CA 3.49Å; P160-G165 PolarHBondContact O-N 3.3Å; C163-G165 PolarHBondContact O-N 3.03Å
166	V	97.9	Very high	97.4	Very high	62 Å²	62	48.6 Å²	48.6	38%	0.376	28%	0.281	S	S	.	.			trans	-95.5	132.4	178.4	-176.5	0	0	0	0	110.4	I120 P160 C163 V168	I120-V166 HydrophobicContact CD1-CG1 4.08Å; I120-V166 HydrophobicContact CG1-CG1 3.97Å; I120-V166 HydrophobicContact CG2-CG1 4.5Å; P160-V166 WeakPolarHBondContact CA-O 3.29Å; C163-V166 VanDerWaalsContact CB-O 3.22Å; C163-V166 WeakPolarHBondContact CB-O 3.43Å; C163-V166 WeakPolarHBondContact O-CB 3.2Å; C163-V166 PolarHBondContact O-N 3.48Å; V166-V168 HydrophobicContact CB-CG2 4.47Å; V166-V168 HydrophobicContact CG1-CG2 4.19Å; V166-V168 PolarHBondContact O-N 3.07Å
167	L	98.2	Very high	97.4	Very high	24 Å²	24	51.4 Å²	51.4	13%	0.126	30%	0.297	C	S	.	.			trans	-75	117.8	166.6	-179.3	57.2	0	0	0	108.4	H118 H119 I120 L142 F157 L158 P160	H118-L167 VanDerWaalsContact CE1-CD2 3.47Å; H118-L167 WeakPolarHBondContact CE1-CD2 3.42Å; H119-L167 VanDerWaalsContact CA-O 3.24Å; H119-L167 WeakPolarHBondContact CA-O 3.36Å; H119-L167 HydrophobicContact CB-CB 3.79Å; H119-L167 HydrophobicContact CB-CD2 3.9Å; H119-L167 HydrophobicContact CB-CG 3.69Å; H119-L167 VanDerWaalsContact CB-O 3.22Å; H119-L167 WeakPolarHBondContact CB-O 3.26Å; I120-L167 PolarHBondContact N-O 2.77Å; I120-L167 VanDerWaalsContact N-O 3.08Å; L142-L167 HydrophobicContact CD1-CD1 3.69Å; F157-L167 HydrophobicContact CB-CD1 4.2Å; F157-L167 HydrophobicContact CD1-CD1 3.71Å; F157-L167 HydrophobicContact CD1-CD2 4.06Å; F157-L167 HydrophobicContact CD1-CG 3.79Å; F157-L167 HydrophobicContact CE1-CD2 4.27Å; F157-L167 HydrophobicContact CE1-CG 4.28Å; F157-L167 HydrophobicContact CG-CD1 4.41Å; L158-L167 VanDerWaalsContact O-CD1 3.32Å; L158-L167 WeakPolarHBondContact O-CD1 3.39Å; P160-L167 HydrophobicContact CG-CB 4.01Å; P160-L167 HydrophobicContact CG-CD1 4.21Å
168	V	98.5	Very high	97.4	Very high	15 Å²	15	51.5 Å²	51.5	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.9	-179.4	-179.7	0	0	0	0	108.7	I120 I122 F157 L158 C163 V166 L170	I120-V168 HydrophobicContact CD1-CG2 4.2Å; I120-V168 HydrophobicContact CG1-CG1 4.47Å; I120-V168 HydrophobicContact CG1-CG2 4.09Å; I122-V168 HydrophobicContact CD1-CG1 4.21Å; F157-V168 CarbonylContact C-O 3.59Å; F157-V168 WeakPolarHBondContact CA-O 3.24Å; L158-V168 HydrophobicContact CB-CB 4.33Å; L158-V168 HydrophobicContact CD1-CB 4.38Å; L158-V168 HydrophobicContact CD1-CG1 4.34Å; L158-V168 HydrophobicContact CG-CB 4.49Å; L158-V168 PolarHBondContact N-O 3.31Å; C163-V168 HydrophobicContact CB-CG2 3.84Å; V166-V168 HydrophobicContact CB-CG2 4.47Å; V166-V168 HydrophobicContact CG1-CG2 4.19Å; V166-V168 PolarHBondContact O-N 3.07Å; V168-L170 HydrophobicContact CG1-CD2 4.22Å
169	E	98.4	Very high	97.4	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.6	165.7	-174.4	-179.9	-138.9	0	0	109.1	H47 H119 I120 C121 I122 V155 M156 F157	H47-E169 IonicContact CE1-OE2 2.74Å; H47-E169 PolarHBondContact CE1-OE2 3.46Å; H47-E169 IonicContact NE2-OE2 3.77Å; H119-E169 IonicContact CD2-OE2 3.59Å; H119-E169 IonicContact NE2-OE2 3.96Å; I120-E169 PolarHBondContact O-N 2.84Å; C121-E169 WeakPolarHBondContact CA-O 3.41Å; C121-E169 HydrophobicContact CB-CB 4.03Å; C121-E169 HydrophobicContact CB-CG 4.42Å; C121-E169 VanDerWaalsContact CB-OE2 3.26Å; C121-E169 WeakPolarHBondContact CB-OE2 3.44Å; C121-E169 PolarHBondContact SG-OE2 3.3Å; I122-E169 PolarHBondContact N-O 2.97Å; V155-E169 HydrophobicContact CB-CG 4.02Å; V155-E169 WeakPolarHBondContact CB-OE1 3.35Å; V155-E169 HydrophobicContact CG1-CG 4.38Å; V155-E169 WeakPolarHBondContact CG1-OE1 3.5Å; V155-E169 WeakPolarHBondContact CG2-OE1 3.3Å; M156-E169 CarbonylContact O-C 3.57Å; M156-E169 WeakPolarHBondContact O-CA 3.45Å; F157-E169 HydrophobicContact CD1-CB 3.94Å; F157-E169 HydrophobicContact CD1-CG 4.43Å; F157-E169 HydrophobicContact CD2-CG 4.44Å; F157-E169 HydrophobicContact CE1-CB 3.63Å; F157-E169 HydrophobicContact CE1-CG 4.03Å; F157-E169 HydrophobicContact CE2-CB 4.49Å; F157-E169 HydrophobicContact CE2-CG 4Å; F157-E169 WeakPolarHBondContact CE2-OE1 3.4Å; F157-E169 HydrophobicContact CZ-CB 3.92Å; F157-E169 HydrophobicContact CZ-CG 3.78Å; F157-E169 WeakPolarHBondContact CZ-OE1 3.43Å
170	L	98.3	Very high	97.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128	165.2	-59.7	-179	0	0	0	108.3	L42 I122 V124 I127 L134 V155 M156 L158 V168	L42-L170 HydrophobicContact CD1-CD2 4.26Å; I122-L170 HydrophobicContact CB-CD2 4.35Å; I122-L170 WeakPolarHBondContact O-CA 3.4Å; V124-L170 HydrophobicContact CG1-CB 4.3Å; V124-L170 HydrophobicContact CG1-CD1 4.32Å; V124-L170 HydrophobicContact CG1-CD2 4.01Å; V124-L170 HydrophobicContact CG1-CG 4.44Å; V124-L170 HydrophobicContact CG2-CB 4.41Å; I127-L170 HydrophobicContact CD1-CB 3.72Å; I127-L170 WeakPolarHBondContact CD1-O 3.32Å; L134-L170 HydrophobicContact CD1-CD1 3.51Å; V155-L170 CarbonylContact C-O 3.4Å; V155-L170 WeakPolarHBondContact CA-O 3.47Å; M156-L170 PolarHBondContact N-O 3.32Å; M156-L170 PolarHBondContact O-N 3.01Å; L158-L170 HydrophobicContact CD1-CD1 4.25Å; L158-L170 HydrophobicContact CD1-CG 4.44Å; L158-L170 HydrophobicContact CD2-CD1 4.4Å; V168-L170 HydrophobicContact CG1-CD2 4.22Å
171	E	98.1	Very high	97.4	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.7	178.1	178.7	172.7	96.2	0	0	110.2	N46 C121 I122 E123 V124 H151 K153 V155 A173	N46-E171 PolarHBondContact ND2-OE1 3.13Å; C121-E171 VanDerWaalsContact SG-CB 3.58Å; I122-E171 PolarHBondContact O-N 2.99Å; I122-E171 VanDerWaalsContact O-N 3.11Å; E123-E171 CarbonylContact C-O 3.51Å; E123-E171 VanDerWaalsContact CA-O 3.26Å; E123-E171 WeakPolarHBondContact CA-O 3.38Å; V124-E171 PolarHBondContact N-O 2.78Å; H151-E171 IonicContact CE1-OE1 2.96Å; H151-E171 IonicContact CE1-OE2 3.94Å; H151-E171 IonicContact CG-OE1 3.52Å; H151-E171 IonicContact CG-OE2 3.94Å; H151-E171 IonicContact ND1-OE1 2.68Å; H151-E171 PolarHBondContact ND1-OE1 2.86Å; H151-E171 IonicContact ND1-OE2 2.99Å; H151-E171 PolarHBondContact ND1-OE2 2.88Å; K153-E171 HydrophobicContact CB-CG 4.1Å; K153-E171 HydrophobicContact CD-CG 4.33Å; V155-E171 HydrophobicContact CG1-CB 3.85Å; V155-E171 HydrophobicContact CG1-CG 3.83Å; E171-A173 PolarHBondContact O-N 3.04Å
172	E	97.6	Very high	97.4	Very high	55 Å²	55	47 Å²	47	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130	171.6	-172.8	76.6	173.1	0	0	111.3	I127 K153 P154	I127-E172 VanDerWaalsContact CB-OE2 3.26Å; I127-E172 WeakPolarHBondContact CB-OE2 3.38Å; I127-E172 VanDerWaalsContact CG2-OE2 3.28Å; I127-E172 WeakPolarHBondContact CG2-OE2 3.41Å; I127-E172 PolarHBondContact N-OE2 3.02Å; K153-E172 WeakPolarHBondContact CD-O 3.42Å; K153-E172 PolarHBondContact NZ-O 3.39Å; P154-E172 PolarHBondContact O-N 3.01Å
173	A	94.5	Very high	97.4	Very high	83 Å²	83	46.4 Å²	46.4	69%	0.686	30%	0.301	S	S	*	.			trans	-63.4	0	-177.4	0	0	0	0	0	114.9	E123 V124 K153 E171	E123-A173 HydrophobicContact CB-CB 4.19Å; V124-A173 WeakPolarHBondContact O-CB 3.49Å; V124-A173 PolarHBondContact O-N 3.46Å; K153-A173 PolarHBondContact NZ-O 2.68Å; K153-A173 PolarHBondContact NZ-OXT 3.42Å; E171-A173 PolarHBondContact O-N 3.04Å

Retrieved 173 of 173 residues in 34.6 ms (Link to these results)

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