A0A077ZC44_TRITR Loading...

Fimbrial domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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	39.6	Very low	41.4	Very low	242 Å²	242	158.1 Å²	158.1	100%	1.192	84%	0.844	S	S	*	*				0	104	0	-72.9	172.5	174.4	0	0	105.3
2	F	42.9	Very low	41.6	Very low	213 Å²	213	153.4 Å²	153.4	93%	0.934	84%	0.844	S	S	*	*				-133.1	145.9	53.8	-91.1	-109	0	0	0	113.1
3	K	38	Very low	42.9	Very low	213 Å²	213	152.9 Å²	152.9	93%	0.926	84%	0.837	S	S	*	*			trans	-63.4	163.2	160.8	-81	159.2	156.1	172.4	0	110.2
4	G	38.8	Very low	43.7	Very low	70 Å²	70	148.8 Å²	148.8	72%	0.722	83%	0.825	S	S	*	*			cis	179.2	135	6	0	0	0	0	0	106.2
5	Q	41.8	Very low	44.6	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	82%	0.824	S	S	*	*				68.7	118.7	98.1	-134.9	-169.3	-11.5	0	0	117.9
6	K	40.5	Very low	45.2	Very low	161 Å²	161	149.5 Å²	149.5	70%	0.7	82%	0.823	S	S	*	*			trans	125.4	112.5	131.1	-65.7	-166.7	-176.2	-178.8	0	119
7	T	43.2	Very low	46	Very low	121 Å²	121	152.2 Å²	152.2	74%	0.742	83%	0.825	S	S	*	*			trans	56.2	117.2	134.6	45.1	0	0	0	0	121.1
8	L	40.4	Very low	46.7	Very low	159 Å²	159	150.9 Å²	150.9	83%	0.832	82%	0.823	S	S	*	*				74.2	115.3	87.8	-119.2	135.1	0	0	0	113.8
9	T	42.9	Very low	47.3	Very low	135 Å²	135	147.2 Å²	147.2	83%	0.828	81%	0.814	S	S	*	*				159.6	133.9	122.3	-49.7	0	0	0	0	110.4
10	A	40.9	Very low	47.8	Very low	92 Å²	92	145 Å²	145	76%	0.76	81%	0.807	S	S	*	*			trans	-70.5	147	-176.5	0	0	0	0	0	114
11	L	46.3	Very low	48.2	Very low	161 Å²	161	144.6 Å²	144.6	84%	0.843	81%	0.808	S	S	*	*			trans	-144.6	114.1	155.1	-154	73.5	0	0	0	109.2	I13	L11-I13 PolarHBondContact O-N 3.18Å
12	A	44	Very low	49	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	79%	0.791	S	S	*	*			trans	-69.6	116.4	176.2	0	0	0	0	0	109.7
13	I	59	Low	49.8	Very low	147 Å²	147	137.2 Å²	137.2	75%	0.754	78%	0.781	S	S	*	*			trans	-98.8	103.2	170.9	-63.3	168.8	0	0	0	106.7	L11 L15	L11-I13 PolarHBondContact O-N 3.18Å; I13-L15 PolarHBondContact O-N 2.98Å
14	S	54	Low	50.7	Low	95 Å²	95	130.8 Å²	130.8	66%	0.664	77%	0.768	S	S	*	*			trans	-59.4	113	169.7	47.6	0	0	0	0	109.8	L16	S14-L16 PolarHBondContact O-N 3Å
15	L	56.6	Low	51.8	Low	157 Å²	157	134.2 Å²	134.2	82%	0.822	77%	0.77	S	S	*	*			trans	-65	93.6	168.3	-78	148.5	0	0	0	108.8	I13 F17	I13-L15 PolarHBondContact O-N 2.98Å; L15-F17 PolarHBondContact O-N 3.21Å
16	L	54.3	Low	53.1	Low	152 Å²	152	135 Å²	135	80%	0.796	77%	0.773	S	S	*	*			trans	-69.8	108.2	164.8	-73.2	164	0	0	0	107.5	S14 T18	S14-L16 PolarHBondContact O-N 3Å; L16-T18 PolarHBondContact O-N 3.08Å
17	F	58.8	Low	54.5	Low	196 Å²	196	130.4 Å²	130.4	86%	0.86	77%	0.771	S	S	*	*			trans	-65.5	99.9	167.1	-69.9	-90.1	0	0	0	108.2	L15 A19	L15-F17 PolarHBondContact O-N 3.21Å; F17-A19 PolarHBondContact O-N 2.83Å
18	T	58	Low	56.4	Low	128 Å²	128	130.1 Å²	130.1	79%	0.785	77%	0.774	S	S	*	*			trans	-69	105.6	164.5	50.7	0	0	0	0	107.4	L16	L16-T18 PolarHBondContact O-N 3.08Å
19	A	59.4	Low	58.5	Low	80 Å²	80	126 Å²	126	66%	0.661	77%	0.771	S	S	*	*			trans	-58	139.2	164.8	0	0	0	0	0	108.4	F17 V21	F17-A19 PolarHBondContact O-N 2.83Å; A19-V21 PolarHBondContact O-N 3.06Å
20	P	57.4	Low	60.6	Low	104 Å²	104	127.5 Å²	127.5	68%	0.675	77%	0.768	S	S	*	*			trans	-61.2	112.7	172.3	25.4	-31	0	0	0	107.7	Y22	P20-Y22 PolarHBondContact O-N 3.11Å
21	V	55.7	Low	63	Low	136 Å²	136	129.4 Å²	129.4	82%	0.824	76%	0.764	S	S	*	*			trans	-62.5	107	165.2	175.6	0	0	0	0	104.9	A19 A23	A19-V21 PolarHBondContact O-N 3.06Å; V21-A23 PolarHBondContact O-N 3.13Å
22	Y	56.6	Low	65.2	Low	212 Å²	212	129 Å²	129	83%	0.831	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-52.6	116.4	166.7	-68.4	-80.8	0	0	0	106.5	P20 A24	P20-Y22 PolarHBondContact O-N 3.11Å; Y22-A24 PolarHBondContact O-N 2.86Å
23	A	59.1	Low	67.6	Low	89 Å²	89	132.7 Å²	132.7	74%	0.736	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-50.5	139.6	171.3	0	0	0	0	0	108.1	V21 D25	V21-A23 PolarHBondContact O-N 3.13Å; A23-D25 PolarHBondContact O-N 3.36Å
24	A	56.7	Low	69.2	Low	78 Å²	78	135.8 Å²	135.8	65%	0.645	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-51.5	140.6	173.8	0	0	0	0	0	109	Y22 E26	Y22-A24 PolarHBondContact O-N 2.86Å; A24-E26 VanDerWaalsContact C-N 3.27Å; A24-E26 PolarHBondContact O-N 3.02Å
25	D	61.9	Low	71	Confident	141 Å²	141	135.1 Å²	135.1	75%	0.754	77%	0.772	S	S	*	*			trans	-61.7	91.5	170.9	-179	18.6	0	0	0	108.4	A23 G27	A23-D25 PolarHBondContact O-N 3.36Å; D25-G27 PolarHBondContact O-N 3.35Å; D25-G27 PolarHBondContact OD1-N 3.35Å
26	E	69.5	Low	72.7	Confident	189 Å²	189	135.8 Å²	135.8	88%	0.883	77%	0.77	S	S	*	*			trans	-80	17.2	178.8	-66.1	-167.4	170.4	0	0	112.3	A24	A24-E26 VanDerWaalsContact C-N 3.27Å; A24-E26 PolarHBondContact O-N 3.02Å
27	G	69.9	Low	74.3	Confident	64 Å²	64	135.7 Å²	135.7	66%	0.66	78%	0.776	S	S	*	*			trans	97	133.2	180	0	0	0	0	0	112	D25	D25-G27 PolarHBondContact O-N 3.35Å; D25-G27 PolarHBondContact OD1-N 3.35Å
28	S	82.8	Confident	75.7	Confident	115 Å²	115	130.5 Å²	130.5	80%	0.804	76%	0.756	S	S	*	*			trans	-129.5	157.1	167.7	56.5	0	0	0	0	109.1
29	G	84.3	Confident	77.1	Confident	74 Å²	74	134.2 Å²	134.2	76%	0.763	77%	0.765	S	S	*	*			trans	-150.4	162.5	178	0	0	0	0	0	110.1
30	E	87	Confident	78.7	Confident	165 Å²	165	132.3 Å²	132.3	77%	0.771	75%	0.749	S	S	*	*			trans	-110.8	143.9	179.1	-64	-174.3	173.8	0	0	110.3	H32	E30-H32 IonicContact OE2-CE1 3.63Å; E30-H32 IonicContact OE2-NE2 3.69Å
31	I	91.6	Very high	80.5	Confident	132 Å²	132	128 Å²	128	68%	0.677	72%	0.721	S	S	*	*			trans	-112.1	125.9	173	-56.2	174.8	0	0	0	107.3	F33	I31-F33 HydrophobicContact CB-CE2 4.06Å; I31-F33 HydrophobicContact CB-CZ 4.04Å; I31-F33 HydrophobicContact CG2-CD1 4.31Å; I31-F33 HydrophobicContact CG2-CD2 4.33Å; I31-F33 HydrophobicContact CG2-CE1 3.69Å; I31-F33 HydrophobicContact CG2-CE2 3.71Å; I31-F33 HydrophobicContact CG2-CZ 3.35Å
32	H	92.4	Very high	82.4	Confident	153 Å²	153	121.8 Å²	121.8	71%	0.708	68%	0.683	S	S	*	*			trans	-103	124.4	175.2	-62.3	-74.1	0	0	0	110.3	E30	E30-H32 IonicContact OE2-CE1 3.63Å; E30-H32 IonicContact OE2-NE2 3.69Å
33	F	94.7	Very high	84.3	Confident	180 Å²	180	116.3 Å²	116.3	79%	0.789	67%	0.665	S	S	*	*			trans	-104.1	139.3	175.9	-56	-81.5	0	0	0	109.8	I31	I31-F33 HydrophobicContact CB-CE2 4.06Å; I31-F33 HydrophobicContact CB-CZ 4.04Å; I31-F33 HydrophobicContact CG2-CD1 4.31Å; I31-F33 HydrophobicContact CG2-CD2 4.33Å; I31-F33 HydrophobicContact CG2-CE1 3.69Å; I31-F33 HydrophobicContact CG2-CE2 3.71Å; I31-F33 HydrophobicContact CG2-CZ 3.35Å
34	K	93.2	Very high	86.2	Confident	212 Å²	212	114.2 Å²	114.2	92%	0.922	64%	0.641	S	S	*	*			trans	-137	148.6	175.2	-66.3	-174.6	179.7	-179.7	0	109.5
35	G	91.4	Very high	88.1	Confident	81 Å²	81	112.9 Å²	112.9	84%	0.835	62%	0.621	S	S	*	*			trans	-174.7	167.5	176.5	0	0	0	0	0	109.7
36	E	91.3	Very high	89.6	Confident	171 Å²	171	113.2 Å²	113.2	80%	0.799	62%	0.618	S	S	*	*			trans	-135.1	139.7	178.4	-175.1	173.5	-172.6	0	0	108.4	I38	E36-I38 HydrophobicContact CG-CG2 3.88Å
37	V	89	Confident	90.9	Very high	150 Å²	150	109.3 Å²	109.3	91%	0.909	60%	0.604	S	S	*	*			trans	-108.7	121.1	170.6	178.7	0	0	0	0	106.4
38	I	88	Confident	92.2	Very high	86 Å²	86	106.2 Å²	106.2	44%	0.441	57%	0.572	S	S	.	*			trans	-108.5	149.1	-176.7	62.9	175.8	0	0	0	110.9	E36 A40	E36-I38 HydrophobicContact CG-CG2 3.88Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 HydrophobicContact CD1-CB 3.71Å; I38-A40 HydrophobicContact CG1-CB 3.99Å; I38-A40 PolarHBondContact O-N 2.7Å
39	E	88.3	Confident	92.8	Very high	207 Å²	207	105.2 Å²	105.2	97%	0.967	56%	0.557	S	S	*	*			trans	-92.1	68.6	171	-168	176.3	176.3	0	0	109.2
40	A	92.3	Very high	93.3	Very high	40 Å²	40	109 Å²	109	33%	0.331	56%	0.559	S	S	.	*	S	Bend	trans	-130.9	150.3	178.8	0	0	0	0	0	110.3	I38 C42 Y187	I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 HydrophobicContact CD1-CB 3.71Å; I38-A40 HydrophobicContact CG1-CB 3.99Å; I38-A40 PolarHBondContact O-N 2.7Å; A40-C42 PolarHBondContact O-N 3.31Å; A40-Y187 HydrophobicContact CB-CE2 4.39Å
41	P	94.7	Very high	93.8	Very high	14 Å²	14	104.4 Å²	104.4	9%	0.091	54%	0.537	C	S	.	.	S	Bend	trans	-72.5	-16.2	-177.3	31.1	-38.3	0	0	0	113.9	C81 D82 L83 S86 I94 Y187	P41-C81 CarbonylContact O-C 3.52Å; P41-C81 VanDerWaalsContact O-CA 3.29Å; P41-C81 WeakPolarHBondContact O-CA 3.36Å; P41-D82 PolarHBondContact O-N 3.46Å; P41-L83 HydrophobicContact CB-CD2 3.98Å; P41-S86 WeakPolarHBondContact CA-OG 3.31Å; P41-S86 WeakPolarHBondContact CB-OG 3.47Å; P41-I94 HydrophobicContact CB-CG1 4.41Å; P41-I94 HydrophobicContact CB-CG2 4.46Å; P41-I94 HydrophobicContact CG-CG2 4.23Å; P41-Y187 VanDerWaalsContact CD-CD2 3.45Å; P41-Y187 HydrophobicContact CG-CD1 3.36Å; P41-Y187 HydrophobicContact CG-CD2 3.51Å; P41-Y187 HydrophobicContact CG-CE1 3.6Å; P41-Y187 HydrophobicContact CG-CE2 3.73Å; P41-Y187 HydrophobicContact CG-CG 3.3Å
42	C	96.8	Very high	94	Very high	4 Å²	4	106 Å²	106	3%	0.027	54%	0.541	C	S	.	.	S	Bend	trans	-139.3	154	173.7	-57.3	0	0	0	0	110.2	A40 L78 C81	A40-C42 PolarHBondContact O-N 3.31Å; C42-L78 HydrophobicContact CB-CB 3.81Å; C42-L78 HydrophobicContact CB-CD1 4.37Å; C42-C81 HydrophobicContact CB-CB 4.05Å; C42-C81 WeakPolarHBondContact CB-SG 3.38Å; C42-C81 WeakPolarHBondContact SG-CB 3.38Å; C42-C81 CovalentContact SG-SG 2.04Å; C42-C81 PolarHBondContact SG-SG 3.08Å
43	E	96.5	Very high	94.3	Very high	98 Å²	98	100.8 Å²	100.8	46%	0.458	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.6	165.4	-63.7	169.2	-168	0	0	109.6	L78 V79 N80	E43-L78 CarbonylContact O-C 3.54Å; E43-L78 VanDerWaalsContact O-CA 3.26Å; E43-L78 WeakPolarHBondContact O-CA 3.42Å; E43-V79 HydrophobicContact CB-CG2 3.99Å; E43-V79 PolarHBondContact N-O 2.87Å; E43-V79 PolarHBondContact O-N 2.82Å; E43-N80 HydrophobicContact CG-CB 4.38Å; E43-N80 PolarHBondContact OE2-ND2 2.86Å
44	I	97.2	Very high	94.4	Very high	45 Å²	45	99 Å²	99	23%	0.231	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.2	166.7	-63.4	164.1	0	0	0	107.4	Q46 D48 I49 L78 Y183 L185	I44-Q46 PolarHBondContact O-N 2.99Å; I44-D48 HydrophobicContact CG2-CB 4.09Å; I44-I49 HydrophobicContact CB-CG1 4.14Å; I44-I49 HydrophobicContact CG2-CG1 3.82Å; I44-L78 HydrophobicContact CG1-CD2 4.11Å; I44-Y183 HydrophobicContact CD1-CE2 3.82Å; I44-Y183 WeakPolarHBondContact CG2-OH 3.32Å; I44-L185 HydrophobicContact CD1-CD1 3.92Å; I44-L185 HydrophobicContact CG1-CD1 3.85Å
45	H	97.3	Very high	94.6	Very high	49 Å²	49	90.7 Å²	90.7	23%	0.227	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-55.1	134.2	174	-172.7	-73.3	0	0	0	110.1	D47 D48 I49 R77 V79	H45-D47 VanDerWaalsContact C-N 3.31Å; H45-D47 IonicContact CE1-OD2 3.08Å; H45-D47 PolarHBondContact CE1-OD2 2.7Å; H45-D47 PolarHBondContact ND1-N 3.47Å; H45-D47 IonicContact ND1-OD2 3.71Å; H45-D47 PolarHBondContact O-N 3.4Å; H45-D48 HydrophobicContact CB-CB 4.43Å; H45-D48 WeakPolarHBondContact O-CA 3.32Å; H45-D48 WeakPolarHBondContact O-CB 3.06Å; H45-D48 PolarHBondContact O-N 3.47Å; H45-I49 PolarHBondContact O-N 3.06Å; H45-R77 HydrophobicContact CB-CB 3.82Å; H45-R77 WeakPolarHBondContact CB-O 3.38Å; H45-R77 PolarHBondContact N-O 3.22Å; H45-R77 PolarHBondContact ND1-NH2 2.82Å; H45-R77 PolarHBondContact NE2-NH1 3.44Å; H45-V79 HydrophobicContact CB-CG1 4.27Å
46	Q	94.8	Very high	94.9	Very high	148 Å²	148	89.4 Å²	89.4	69%	0.692	47%	0.467	S	S	*	.	H	α-helix	trans	-51.8	-46.1	-172	-75.9	-73	-49.3	0	0	113.3	I44 D48 I49	I44-Q46 PolarHBondContact O-N 2.99Å; Q46-D48 PolarHBondContact O-N 2.8Å; Q46-D48 VanDerWaalsContact O-N 3.14Å; Q46-I49 WeakPolarHBondContact O-CB 3.16Å; Q46-I49 PolarHBondContact O-N 3.11Å
47	D	96.1	Very high	95.1	Very high	107 Å²	107	91 Å²	91	57%	0.572	47%	0.474	S	S	*	.	H	α-helix	trans	-66.2	-11.6	177.5	-51.2	-18.7	0	0	0	114.9	H45 R77	H45-D47 VanDerWaalsContact C-N 3.31Å; H45-D47 IonicContact CE1-OD2 3.08Å; H45-D47 PolarHBondContact CE1-OD2 2.7Å; H45-D47 PolarHBondContact ND1-N 3.47Å; H45-D47 IonicContact ND1-OD2 3.71Å; H45-D47 PolarHBondContact O-N 3.4Å; D47-R77 IonicContact OD2-NH2 3.82Å
48	D	97.5	Very high	95.5	Very high	0 Å²	0	85.7 Å²	85.7	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-101.6	-7.3	179.4	-60.5	-22.6	0	0	0	112	I44 H45 Q46 K51 R77 Y183	I44-D48 HydrophobicContact CG2-CB 4.09Å; H45-D48 HydrophobicContact CB-CB 4.43Å; H45-D48 WeakPolarHBondContact O-CA 3.32Å; H45-D48 WeakPolarHBondContact O-CB 3.06Å; H45-D48 PolarHBondContact O-N 3.47Å; Q46-D48 PolarHBondContact O-N 2.8Å; Q46-D48 VanDerWaalsContact O-N 3.14Å; D48-K51 IonicContact OD1-NZ 3.85Å; D48-K51 PolarHBondContact OD1-NZ 3.49Å; D48-R77 IonicContact OD1-CZ 3.34Å; D48-R77 IonicContact OD1-NE 3.57Å; D48-R77 IonicContact OD1-NH2 3.1Å; D48-R77 PolarHBondContact OD1-NH2 3.44Å; D48-R77 VanDerWaalsContact OD2-CB 3.23Å; D48-R77 WeakPolarHBondContact OD2-CB 3.45Å; D48-R77 WeakPolarHBondContact OD2-CG 3.14Å; D48-R77 IonicContact OD2-CZ 2.73Å; D48-R77 PolarHBondContact OD2-N 3.11Å; D48-R77 IonicContact OD2-NE 3.04Å; D48-R77 PolarHBondContact OD2-NE 3.44Å; D48-R77 IonicContact OD2-NH2 3.19Å; D48-R77 PolarHBondContact OD2-NH2 2.75Å; D48-Y183 PolarHBondContact O-OH 3.04Å
49	I	94.6	Very high	96	Very high	93 Å²	93	85.5 Å²	85.5	48%	0.477	45%	0.445	S	S	.	.	H	α-helix	trans	-67.6	-51.5	174	-63	174.7	0	0	0	110.3	I44 H45 Q46	I44-I49 HydrophobicContact CB-CG1 4.14Å; I44-I49 HydrophobicContact CG2-CG1 3.82Å; H45-I49 PolarHBondContact O-N 3.06Å; Q46-I49 WeakPolarHBondContact O-CB 3.16Å; Q46-I49 PolarHBondContact O-N 3.11Å
50	D	95	Very high	96.4	Very high	154 Å²	154	78.2 Å²	78.2	82%	0.824	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	77	173.9	-170.4	15.7	0	0	0	108.4
51	K	96.6	Very high	96.7	Very high	69 Å²	69	80.3 Å²	80.3	30%	0.3	43%	0.427	S	S	.	.			trans	-90.1	119.1	-169.8	-167.1	177.7	-174.1	66.7	0	111.3	D48 V53 D75 L76	D48-K51 IonicContact OD1-NZ 3.85Å; D48-K51 PolarHBondContact OD1-NZ 3.49Å; K51-V53 HydrophobicContact CD-CG2 4.31Å; K51-V53 HydrophobicContact CG-CG2 4.27Å; K51-D75 WeakPolarHBondContact CE-O 3.43Å; K51-D75 PolarHBondContact NZ-O 3.29Å; K51-L76 HydrophobicContact CD-CD2 4.17Å
52	E	96.9	Very high	96.8	Very high	164 Å²	164	82.5 Å²	82.5	77%	0.766	44%	0.436	S	S	*	.			trans	-89.6	129.6	167	-169.7	167.1	-175.5	0	0	110.5
53	V	97.8	Very high	96.8	Very high	45 Å²	45	82.4 Å²	82.4	27%	0.273	44%	0.435	S	S	.	.			trans	-118.5	115	178	178.8	0	0	0	0	109.1	K51 L55 V72 V74	K51-V53 HydrophobicContact CD-CG2 4.31Å; K51-V53 HydrophobicContact CG-CG2 4.27Å; V53-L55 HydrophobicContact CG1-CD2 4.28Å; V53-L55 PolarHBondContact O-N 3.29Å; V53-V72 HydrophobicContact CG1-CG1 4Å; V53-V74 HydrophobicContact CG1-CG2 3.93Å; V53-V74 HydrophobicContact CG2-CG1 4.1Å; V53-V74 HydrophobicContact CG2-CG2 4.03Å
54	E	97.5	Very high	96.9	Very high	143 Å²	143	80 Å²	80	67%	0.668	43%	0.425	S	S	*	.			trans	-79.5	101.7	177.6	-70.3	-75.7	-166.9	0	0	110.8	G56	E54-G56 PolarHBondContact O-N 2.82Å
55	L	97.6	Very high	96.9	Very high	36 Å²	36	85.3 Å²	85.3	19%	0.188	45%	0.449	C	S	.	.			trans	-73.1	-9.9	178.1	-61.9	176.1	0	0	0	113.4	V53 V72 V127 A161 M163	V53-L55 HydrophobicContact CG1-CD2 4.28Å; V53-L55 PolarHBondContact O-N 3.29Å; L55-V72 HydrophobicContact CD2-CB 4.44Å; L55-V127 HydrophobicContact CD1-CB 4.49Å; L55-V127 HydrophobicContact CD1-CG1 4.04Å; L55-V127 HydrophobicContact CD1-CG2 3.59Å; L55-A161 HydrophobicContact CD2-CB 3.93Å; L55-M163 HydrophobicContact CB-CE 4.14Å; L55-M163 HydrophobicContact CB-CG 4.38Å; L55-M163 HydrophobicContact CD1-CG 3.9Å
56	G	96.7	Very high	96.8	Very high	54 Å²	54	85.1 Å²	85.1	56%	0.557	45%	0.453	S	S	*	.			trans	74.4	-163.8	-177.9	0	0	0	0	0	113.7	E54	E54-G56 PolarHBondContact O-N 2.82Å
57	Q	96.7	Very high	97	Very high	205 Å²	205	81 Å²	81	96%	0.958	43%	0.434	S	S	*	.			trans	-111.4	135.2	180	-64.2	-178.7	23.2	0	0	110.5
58	V	96.9	Very high	97	Very high	39 Å²	39	78.8 Å²	78.8	24%	0.236	42%	0.42	C	S	.	.			trans	-125.7	136.3	173	67.6	0	0	0	0	109.3	H62 I63 M163	V58-H62 HydrophobicContact CG2-CB 3.98Å; V58-I63 HydrophobicContact CG1-CB 4.26Å; V58-I63 HydrophobicContact CG1-CD1 4.15Å; V58-I63 HydrophobicContact CG2-CB 4.01Å; V58-M163 HydrophobicContact CB-CE 4.01Å; V58-M163 HydrophobicContact CG1-CE 3.5Å; V58-M163 HydrophobicContact CG1-SD 3.91Å
59	T	97.9	Very high	97.1	Very high	81 Å²	81	79.1 Å²	79.1	50%	0.497	42%	0.422	S	S	.	.			trans	-74	147.1	176.2	60.5	0	0	0	0	110.1	S61 H62 I63	T59-S61 PolarHBondContact O-N 2.84Å; T59-S61 PolarHBondContact OG1-OG 2.86Å; T59-H62 PolarHBondContact O-N 3.22Å; T59-H62 VanDerWaalsContact OG1-CB 3.32Å; T59-H62 WeakPolarHBondContact OG1-CB 3.27Å; T59-H62 PolarHBondContact OG1-N 2.82Å; T59-I63 PolarHBondContact O-N 3.07Å
60	T	97.5	Very high	97.2	Very high	55 Å²	55	80.7 Å²	80.7	34%	0.337	43%	0.431	S	S	.	.	H	α-helix	trans	-58	-32.7	173.8	51.6	0	0	0	0	111.8	N64 P174	T60-N64 WeakPolarHBondContact O-CB 3.3Å; T60-N64 VanDerWaalsContact O-CG 3.22Å; T60-N64 PolarHBondContact O-N 2.84Å; T60-N64 VanDerWaalsContact O-N 3.08Å; T60-N64 PolarHBondContact O-ND2 3Å; T60-P174 HydrophobicContact CG2-CB 4.29Å; T60-P174 HydrophobicContact CG2-CG 3.75Å
61	S	97.4	Very high	97.3	Very high	83 Å²	83	75.1 Å²	75.1	58%	0.58	41%	0.407	S	S	*	.	H	α-helix	trans	-62.7	-41.8	173.2	48.3	0	0	0	0	112.9	T59 Q65	T59-S61 PolarHBondContact O-N 2.84Å; T59-S61 PolarHBondContact OG1-OG 2.86Å; S61-Q65 WeakPolarHBondContact O-CB 3.49Å; S61-Q65 PolarHBondContact O-N 2.89Å
62	H	97.3	Very high	97.4	Very high	60 Å²	60	73.9 Å²	73.9	28%	0.278	41%	0.405	S	S	.	.	H	α-helix	trans	-70.6	-52.7	-179	-178.9	-158.8	0	0	0	110.9	V58 T59 N64 Q65 S66	V58-H62 HydrophobicContact CG2-CB 3.98Å; T59-H62 PolarHBondContact O-N 3.22Å; T59-H62 VanDerWaalsContact OG1-CB 3.32Å; T59-H62 WeakPolarHBondContact OG1-CB 3.27Å; T59-H62 PolarHBondContact OG1-N 2.82Å; H62-N64 VanDerWaalsContact C-N 3.32Å; H62-N64 PolarHBondContact O-N 2.78Å; H62-Q65 PolarHBondContact O-N 2.85Å; H62-S66 PolarHBondContact CD2-OG 2.9Å; H62-S66 PolarHBondContact NE2-OG 3.11Å; H62-S66 VanDerWaalsContact NE2-OG 3.11Å; H62-S66 PolarHBondContact O-N 2.88Å
63	I	97.8	Very high	97.5	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-66.9	-33.3	-176.1	-163.8	167.6	0	0	0	112.3	V58 T59 Q65 H67 V125 M163 V172	V58-I63 HydrophobicContact CG1-CB 4.26Å; V58-I63 HydrophobicContact CG1-CD1 4.15Å; V58-I63 HydrophobicContact CG2-CB 4.01Å; T59-I63 PolarHBondContact O-N 3.07Å; I63-Q65 PolarHBondContact O-N 3.36Å; I63-H67 CarbonylContact O-C 3.6Å; I63-H67 WeakPolarHBondContact O-CA 3.22Å; I63-H67 PolarHBondContact O-N 3.26Å; I63-V125 HydrophobicContact CD1-CG2 3.7Å; I63-M163 HydrophobicContact CD1-CB 3.98Å; I63-V172 HydrophobicContact CD1-CG2 4.34Å; I63-V172 HydrophobicContact CG1-CG2 4.39Å; I63-V172 HydrophobicContact CG2-CB 3.79Å; I63-V172 HydrophobicContact CG2-CG1 3.99Å; I63-V172 HydrophobicContact CG2-CG2 3.95Å
64	N	97.5	Very high	97.5	Very high	48 Å²	48	66.8 Å²	66.8	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-74.6	-12.5	175.2	-70.8	-44.8	0	0	0	113.5	T60 H62 P171 V172	T60-N64 WeakPolarHBondContact O-CB 3.3Å; T60-N64 VanDerWaalsContact O-CG 3.22Å; T60-N64 PolarHBondContact O-N 2.84Å; T60-N64 VanDerWaalsContact O-N 3.08Å; T60-N64 PolarHBondContact O-ND2 3Å; H62-N64 VanDerWaalsContact C-N 3.32Å; H62-N64 PolarHBondContact O-N 2.78Å; N64-P171 VanDerWaalsContact OD1-CA 3.3Å; N64-P171 WeakPolarHBondContact OD1-CA 3.49Å; N64-V172 PolarHBondContact ND2-O 3.29Å; N64-V172 PolarHBondContact OD1-N 2.94Å
65	Q	96.8	Very high	97.5	Very high	156 Å²	156	62.8 Å²	62.8	73%	0.729	36%	0.361	S	S	*	.	H	α-helix	trans	-96.4	-46.2	175.3	177.9	174.9	56.2	0	0	112.2	S61 H62 I63	S61-Q65 WeakPolarHBondContact O-CB 3.49Å; S61-Q65 PolarHBondContact O-N 2.89Å; H62-Q65 PolarHBondContact O-N 2.85Å; I63-Q65 PolarHBondContact O-N 3.36Å
66	S	96.8	Very high	97.5	Very high	45 Å²	45	61.2 Å²	61.2	32%	0.315	35%	0.353	S	S	.	.	H	α-helix	trans	-91.1	-11.2	-177.5	-59.5	0	0	0	0	113.3	H62 H68	H62-S66 PolarHBondContact CD2-OG 2.9Å; H62-S66 PolarHBondContact NE2-OG 3.11Å; H62-S66 VanDerWaalsContact NE2-OG 3.11Å; H62-S66 PolarHBondContact O-N 2.88Å; S66-H68 PolarHBondContact O-CD2 2.79Å; S66-H68 VanDerWaalsContact O-CD2 3.29Å; S66-H68 PolarHBondContact O-N 2.85Å
67	H	97.5	Very high	97.6	Very high	61 Å²	61	62.7 Å²	62.7	28%	0.282	34%	0.342	S	S	.	.	S	Bend	trans	67.3	-9.7	-175.1	-50.6	-62.9	0	0	0	115.8	I63 Q165 Q168	I63-H67 CarbonylContact O-C 3.6Å; I63-H67 WeakPolarHBondContact O-CA 3.22Å; I63-H67 PolarHBondContact O-N 3.26Å; H67-Q165 PolarHBondContact ND1-OE1 2.92Å; H67-Q165 WeakPolarHBondContact O-CB 3.39Å; H67-Q165 PolarHBondContact O-N 2.04Å; H67-Q168 HydrophobicContact CB-CG 4.3Å
68	H	97.7	Very high	97.7	Very high	62 Å²	62	53 Å²	53	29%	0.287	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-148.3	166.6	174.1	63.8	84.4	0	0	0	111.8	S66 W162 M163 E164	S66-H68 PolarHBondContact O-CD2 2.79Å; S66-H68 VanDerWaalsContact O-CD2 3.29Å; S66-H68 PolarHBondContact O-N 2.85Å; H68-W162 HydrophobicContact CB-CD2 3.94Å; H68-W162 HydrophobicContact CB-CG 4.06Å; H68-W162 HydrophobicContact CB-CZ2 4.39Å; H68-W162 AromaticContact CE1-CE3 3.93Å; H68-W162 AromaticContact CE1-CH2 3.94Å; H68-W162 AromaticContact CE1-CZ3 3.6Å; H68-W162 AromaticContact CG-CD2 3.93Å; H68-W162 AromaticContact CG-CE2 3.88Å; H68-W162 AromaticContact ND1-CD2 3.75Å; H68-W162 AromaticContact ND1-CE3 3.44Å; H68-W162 AromaticContact ND1-CZ3 3.59Å; H68-M163 CarbonylContact C-O 3.44Å; H68-M163 WeakPolarHBondContact CA-O 3.25Å; H68-M163 WeakPolarHBondContact CB-O 3.35Å; H68-E164 HydrophobicContact CB-CG 4.5Å
69	S	97.9	Very high	97.7	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.042	29%	0.293	C	S	.	.			trans	-84	175	168.4	71.4	0	0	0	0	111.8	W162 M163	S69-W162 WeakPolarHBondContact OG-CB 3.26Å; S69-M163 PolarHBondContact N-O 2.84Å; S69-M163 PolarHBondContact OG-N 3.22Å
70	D	97.2	Very high	97.6	Very high	126 Å²	126	53.5 Å²	53.5	67%	0.674	30%	0.296	S	S	*	.			trans	-60.7	148.1	167	-63.7	-44.3	0	0	0	110.6
71	A	98	Very high	97.5	Very high	38 Å²	38	51.7 Å²	51.7	31%	0.314	29%	0.285	S	S	.	.			trans	-73.3	137.1	177.9	0	0	0	0	0	111.2	M130 F160 W162	A71-M130 HydrophobicContact CB-CE 4.43Å; A71-F160 HydrophobicContact CB-CB 4.43Å; A71-F160 HydrophobicContact CB-CD1 4.14Å; A71-W162 HydrophobicContact CB-CE3 3.96Å; A71-W162 HydrophobicContact CB-CZ3 4.48Å
72	V	98.5	Very high	97.4	Very high	42 Å²	42	51.2 Å²	51.2	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.5	173.9	-179.4	0	0	0	0	108.8	V53 L55 F160 A161	V53-V72 HydrophobicContact CG1-CG1 4Å; L55-V72 HydrophobicContact CD2-CB 4.44Å; V72-F160 CarbonylContact O-C 3.52Å; V72-F160 VanDerWaalsContact O-CA 3.28Å; V72-F160 WeakPolarHBondContact O-CA 3.3Å; V72-A161 PolarHBondContact N-O 3.34Å; V72-A161 PolarHBondContact O-N 2.8Å
73	A	98.1	Very high	97.2	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139	178.8	0	0	0	0	0	111.4	F160	A73-F160 HydrophobicContact CB-CD1 4.43Å; A73-F160 HydrophobicContact CB-CE1 4.18Å
74	V	98.2	Very high	96.8	Very high	10 Å²	10	53 Å²	53	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	87.4	174.2	-175.9	0	0	0	0	107.5	V53 F159 A161	V53-V74 HydrophobicContact CG1-CG2 3.93Å; V53-V74 HydrophobicContact CG2-CG1 4.1Å; V53-V74 HydrophobicContact CG2-CG2 4.03Å; V74-F159 HydrophobicContact CB-CB 4.12Å; V74-F159 PolarHBondContact N-O 2.8Å; V74-F159 WeakPolarHBondContact O-CB 3.29Å; V74-F159 PolarHBondContact O-N 3.46Å; V74-A161 HydrophobicContact CG2-CB 3.76Å
75	D	97.6	Very high	96.4	Very high	58 Å²	58	57.1 Å²	57.1	31%	0.31	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.5	-179.4	-66.5	-29.1	0	0	0	110.7	K51 T156 N158	K51-D75 WeakPolarHBondContact CE-O 3.43Å; K51-D75 PolarHBondContact NZ-O 3.29Å; D75-T156 HydrophobicContact CB-CG2 3.96Å; D75-N158 PolarHBondContact OD1-ND2 2.9Å
76	L	98.3	Very high	96.1	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.6	169.7	-56.4	-178.5	0	0	0	108.7	K51 V99 F101 L157 F159 Y183	K51-L76 HydrophobicContact CD-CD2 4.17Å; L76-V99 HydrophobicContact CD1-CG1 4.48Å; L76-F101 HydrophobicContact CD1-CE1 4.41Å; L76-F101 HydrophobicContact CD1-CZ 4.05Å; L76-L157 HydrophobicContact CB-CB 4.31Å; L76-L157 PolarHBondContact N-O 2.64Å; L76-L157 PolarHBondContact O-N 2.95Å; L76-F159 HydrophobicContact CD1-CD2 4.31Å; L76-F159 HydrophobicContact CD1-CE2 3.96Å; L76-F159 HydrophobicContact CG-CD2 4.31Å; L76-F159 HydrophobicContact CG-CE2 4.31Å; L76-Y183 HydrophobicContact CD1-CD2 3.94Å; L76-Y183 HydrophobicContact CD1-CE2 4.06Å; L76-Y183 HydrophobicContact CD1-CG 4.2Å; L76-Y183 HydrophobicContact CD2-CE1 4.25Å
77	R	98.1	Very high	95.5	Very high	84 Å²	84	52.8 Å²	52.8	32%	0.317	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.3	178.3	-62.4	165.8	-69.5	168.1	-4.4	110	H45 D47 D48 Q155 T156	H45-R77 HydrophobicContact CB-CB 3.82Å; H45-R77 WeakPolarHBondContact CB-O 3.38Å; H45-R77 PolarHBondContact N-O 3.22Å; H45-R77 PolarHBondContact ND1-NH2 2.82Å; H45-R77 PolarHBondContact NE2-NH1 3.44Å; D47-R77 IonicContact OD2-NH2 3.82Å; D48-R77 IonicContact OD1-CZ 3.34Å; D48-R77 IonicContact OD1-NE 3.57Å; D48-R77 IonicContact OD1-NH2 3.1Å; D48-R77 PolarHBondContact OD1-NH2 3.44Å; D48-R77 VanDerWaalsContact OD2-CB 3.23Å; D48-R77 WeakPolarHBondContact OD2-CB 3.45Å; D48-R77 WeakPolarHBondContact OD2-CG 3.14Å; D48-R77 IonicContact OD2-CZ 2.73Å; D48-R77 PolarHBondContact OD2-N 3.11Å; D48-R77 IonicContact OD2-NE 3.04Å; D48-R77 PolarHBondContact OD2-NE 3.44Å; D48-R77 IonicContact OD2-NH2 3.19Å; D48-R77 PolarHBondContact OD2-NH2 2.75Å; R77-Q155 WeakPolarHBondContact CA-O 3.33Å; R77-T156 HydrophobicContact CG-CG2 4.48Å
78	L	98.1	Very high	94.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	168.2	-46.5	179.5	0	0	0	107.9	C42 E43 I44 L148 E154 Q155 L157 L185 Y187	C42-L78 HydrophobicContact CB-CB 3.81Å; C42-L78 HydrophobicContact CB-CD1 4.37Å; E43-L78 CarbonylContact O-C 3.54Å; E43-L78 VanDerWaalsContact O-CA 3.26Å; E43-L78 WeakPolarHBondContact O-CA 3.42Å; I44-L78 HydrophobicContact CG1-CD2 4.11Å; L78-L148 HydrophobicContact CD1-CD2 4.5Å; L78-E154 CarbonylContact O-C 3.57Å; L78-E154 VanDerWaalsContact O-CA 3.3Å; L78-E154 WeakPolarHBondContact O-CA 3.48Å; L78-Q155 HydrophobicContact CB-CB 4.03Å; L78-Q155 HydrophobicContact CB-CG 4.46Å; L78-Q155 HydrophobicContact CD1-CB 4.21Å; L78-Q155 HydrophobicContact CG-CB 4.35Å; L78-Q155 PolarHBondContact N-O 2.81Å; L78-Q155 PolarHBondContact O-N 2.93Å; L78-L157 HydrophobicContact CD1-CD1 4.21Å; L78-L157 HydrophobicContact CD1-CD2 4.45Å; L78-L157 HydrophobicContact CD1-CG 4.35Å; L78-L185 HydrophobicContact CD2-CD1 3.63Å; L78-Y187 HydrophobicContact CD1-CE1 4.18Å
79	V	97.6	Very high	94.1	Very high	25 Å²	25	53 Å²	53	15%	0.152	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	165	-176.2	-61.3	0	0	0	0	110.3	E43 H45 C81 S153 E154	E43-V79 HydrophobicContact CB-CG2 3.99Å; E43-V79 PolarHBondContact N-O 2.87Å; E43-V79 PolarHBondContact O-N 2.82Å; H45-V79 HydrophobicContact CB-CG1 4.27Å; V79-C81 PolarHBondContact O-N 2.81Å; V79-C81 VanDerWaalsContact O-N 3.08Å; V79-S153 CarbonylContact C-O 3.53Å; V79-S153 WeakPolarHBondContact CA-O 3.4Å; V79-E154 HydrophobicContact CG1-CG 4.47Å
80	N	95.8	Very high	93.4	Very high	107 Å²	107	57.2 Å²	57.2	57%	0.572	35%	0.345	S	S	*	.	S	Bend	trans	50.4	35.2	-179.4	-60.2	-34.6	0	0	0	113.1	E43 D82 S153	E43-N80 HydrophobicContact CG-CB 4.38Å; E43-N80 PolarHBondContact OE2-ND2 2.86Å; N80-D82 PolarHBondContact O-N 2.73Å; N80-S153 PolarHBondContact N-O 2.84Å
81	C	96	Very high	92.4	Very high	16 Å²	16	54.8 Å²	54.8	11%	0.108	35%	0.35	C	S	.	.			trans	-66.6	131	-178.8	-68.5	0	0	0	0	112	P41 C42 V79 L83 S153	P41-C81 CarbonylContact O-C 3.52Å; P41-C81 VanDerWaalsContact O-CA 3.29Å; P41-C81 WeakPolarHBondContact O-CA 3.36Å; C42-C81 HydrophobicContact CB-CB 4.05Å; C42-C81 WeakPolarHBondContact CB-SG 3.38Å; C42-C81 WeakPolarHBondContact SG-CB 3.38Å; C42-C81 CovalentContact SG-SG 2.04Å; C42-C81 PolarHBondContact SG-SG 3.08Å; V79-C81 PolarHBondContact O-N 2.81Å; V79-C81 VanDerWaalsContact O-N 3.08Å; C81-L83 HydrophobicContact CB-CD2 4.2Å; C81-L83 HydrophobicContact CB-CG 4.17Å; C81-S153 PolarHBondContact N-O 3.03Å
82	D	93.7	Very high	91.7	Very high	73 Å²	73	54.9 Å²	54.9	39%	0.39	36%	0.355	S	S	.	.			trans	-121.1	68.4	170	-171.3	0.6	0	0	0	110.4	P41 N80 E84 N85 S86	P41-D82 PolarHBondContact O-N 3.46Å; N80-D82 PolarHBondContact O-N 2.73Å; D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.01Å; D82-N85 WeakPolarHBondContact OD1-CB 3.47Å; D82-N85 PolarHBondContact OD1-N 3Å; D82-N85 PolarHBondContact OD1-ND2 2.91Å; D82-N85 WeakPolarHBondContact OD2-CB 3.36Å; D82-N85 PolarHBondContact OD2-ND2 3.4Å; D82-S86 WeakPolarHBondContact O-CB 3.45Å; D82-S86 PolarHBondContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.19Å
83	L	93.8	Very high	91.3	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.9	-174.2	-54.6	-177.2	0	0	0	112.7	P41 C81 I94 L148	P41-L83 HydrophobicContact CB-CD2 3.98Å; C81-L83 HydrophobicContact CB-CD2 4.2Å; C81-L83 HydrophobicContact CB-CG 4.17Å; L83-I94 HydrophobicContact CD2-CG2 4.14Å; L83-L148 HydrophobicContact CD1-CB 3.62Å; L83-L148 HydrophobicContact CD1-CD1 4.14Å; L83-L148 HydrophobicContact CD2-CD1 3.98Å
84	E	89.6	Confident	91.1	Very high	97 Å²	97	56.7 Å²	56.7	45%	0.453	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.3	-175.3	-66.3	-150.3	91.4	0	0	113.5	D82 K93	D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.01Å; E84-K93 IonicContact OE1-NZ 3.98Å; E84-K93 PolarHBondContact OE1-NZ 3.44Å
85	N	89.4	Confident	90.9	Very high	134 Å²	134	58.9 Å²	58.9	72%	0.717	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.6	179.5	-52.7	-69	0	0	0	112.9	D82	D82-N85 WeakPolarHBondContact OD1-CB 3.47Å; D82-N85 PolarHBondContact OD1-N 3Å; D82-N85 PolarHBondContact OD1-ND2 2.91Å; D82-N85 WeakPolarHBondContact OD2-CB 3.36Å; D82-N85 PolarHBondContact OD2-ND2 3.4Å
86	S	89.8	Confident	90.8	Very high	32 Å²	32	59.5 Å²	59.5	22%	0.224	37%	0.366	C	S	.	.			trans	-88.8	154.7	175.4	-65.1	0	0	0	0	113	P41 D82	P41-S86 WeakPolarHBondContact CA-OG 3.31Å; P41-S86 WeakPolarHBondContact CB-OG 3.47Å; D82-S86 WeakPolarHBondContact O-CB 3.45Å; D82-S86 PolarHBondContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.19Å
87	S	85.3	Confident	90.8	Very high	78 Å²	78	59.3 Å²	59.3	55%	0.545	37%	0.365	S	S	.	.			trans	-144	140.4	177.1	175.4	0	0	0	0	109.9	G89	S87-G89 VanDerWaalsContact C-N 3.32Å; S87-G89 PolarHBondContact OG-N 3.46Å; S87-G89 VanDerWaalsContact OG-N 3.13Å
88	N	84.4	Confident	90.8	Very high	57 Å²	57	55.3 Å²	55.3	31%	0.305	35%	0.35	S	S	.	.			trans	-94.8	14.2	171.4	59.4	12.7	0	0	0	112.2	S90 I94 Y187 K188	N88-S90 VanDerWaalsContact C-N 3.27Å; N88-S90 PolarHBondContact O-N 3.23Å; N88-S90 WeakPolarHBondContact OD1-CB 3.37Å; N88-S90 PolarHBondContact OD1-N 3.19Å; N88-S90 PolarHBondContact OD1-OG 3.04Å; N88-I94 HydrophobicContact CB-CD1 3.63Å; N88-Y187 PolarHBondContact ND2-O 3.36Å; N88-K188 VanDerWaalsContact ND2-CA 3.28Å; N88-K188 WeakPolarHBondContact ND2-CA 3.49Å; N88-K188 PolarHBondContact ND2-OXT 3.13Å
89	G	81.7	Confident	90.8	Very high	70 Å²	70	55.3 Å²	55.3	72%	0.722	35%	0.349	S	S	*	.	S	Bend	trans	80.9	-3.8	-176.1	0	0	0	0	0	115	S87 G91	S87-G89 VanDerWaalsContact C-N 3.32Å; S87-G89 PolarHBondContact OG-N 3.46Å; S87-G89 VanDerWaalsContact OG-N 3.13Å; G89-G91 VanDerWaalsContact C-N 3.28Å; G89-G91 PolarHBondContact O-N 2.84Å
90	S	81.8	Confident	90.8	Very high	95 Å²	95	55.9 Å²	55.9	66%	0.664	35%	0.353	S	S	*	.	S	Bend	trans	-81.3	-4.5	178.9	-54	0	0	0	0	114	N88 G92	N88-S90 VanDerWaalsContact C-N 3.27Å; N88-S90 PolarHBondContact O-N 3.23Å; N88-S90 WeakPolarHBondContact OD1-CB 3.37Å; N88-S90 PolarHBondContact OD1-N 3.19Å; N88-S90 PolarHBondContact OD1-OG 3.04Å; S90-G92 VanDerWaalsContact C-N 3.25Å; S90-G92 PolarHBondContact O-N 2.77Å
91	G	76.9	Confident	91	Very high	76 Å²	76	51.2 Å²	51.2	78%	0.784	33%	0.328	S	S	*	.	S	Bend	trans	78.6	0.4	179.4	0	0	0	0	0	115.1	G89	G89-G91 VanDerWaalsContact C-N 3.28Å; G89-G91 PolarHBondContact O-N 2.84Å
92	G	83.5	Confident	91.1	Very high	40 Å²	40	53 Å²	53	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-99.9	163.9	170.3	0	0	0	0	0	112.3	S90	S90-G92 VanDerWaalsContact C-N 3.25Å; S90-G92 PolarHBondContact O-N 2.77Å
93	K	88.6	Confident	91.2	Very high	126 Å²	126	50.3 Å²	50.3	55%	0.548	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-70.8	140.8	167.1	-70.4	-170.5	170.2	-168.5	0	109.3	E84 S95	E84-K93 IonicContact OE1-NZ 3.98Å; E84-K93 PolarHBondContact OE1-NZ 3.44Å; K93-S95 PolarHBondContact O-N 2.86Å
94	I	93.8	Very high	91.4	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-61.9	126.4	169.7	-56.7	-57.6	0	0	0	108.5	P41 L83 N88 L148 Y187 K188	P41-I94 HydrophobicContact CB-CG1 4.41Å; P41-I94 HydrophobicContact CB-CG2 4.46Å; P41-I94 HydrophobicContact CG-CG2 4.23Å; L83-I94 HydrophobicContact CD2-CG2 4.14Å; N88-I94 HydrophobicContact CB-CD1 3.63Å; I94-L148 HydrophobicContact CG2-CD1 4.23Å; I94-Y187 HydrophobicContact CG2-CD1 4.08Å; I94-Y187 HydrophobicContact CG2-CG 4.45Å; I94-K188 WeakPolarHBondContact CA-O 3.28Å
95	S	94.8	Very high	91.7	Very high	56 Å²	56	53.1 Å²	53.1	39%	0.392	36%	0.356	S	S	.	.			trans	-138.2	-12.2	-178.9	58.9	0	0	0	0	112.9	K93 L148 K188	K93-S95 PolarHBondContact O-N 2.86Å; S95-L148 PolarHBondContact O-N 2.86Å; S95-K188 PolarHBondContact N-O 3.18Å
96	K	96.1	Very high	92.1	Very high	72 Å²	72	49.7 Å²	49.7	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.4	-175.6	-67.8	173.9	177.9	-163.9	0	111.3	D145 I146 D147 Y187 K188	K96-D145 HydrophobicContact CB-CB 4.27Å; K96-D145 HydrophobicContact CD-CB 3.9Å; K96-D145 HydrophobicContact CG-CB 4.41Å; K96-I146 CarbonylContact C-O 3.49Å; K96-I146 VanDerWaalsContact CA-O 3.23Å; K96-I146 WeakPolarHBondContact CA-O 3.16Å; K96-D147 WeakPolarHBondContact CE-OD1 3.3Å; K96-Y187 WeakPolarHBondContact O-CA 3.41Å; K96-K188 HydrophobicContact CB-CB 4.07Å; K96-K188 PolarHBondContact N-O 2.98Å; K96-K188 PolarHBondContact O-N 3.43Å
97	V	97.6	Very high	92.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.6	168.2	66.4	0	0	0	0	109.9	I146 L148 L157 L185 D186 Y187	V97-I146 HydrophobicContact CG1-CB 4.14Å; V97-I146 PolarHBondContact N-O 2.88Å; V97-I146 PolarHBondContact O-N 2.62Å; V97-L148 HydrophobicContact CB-CD1 4.18Å; V97-L148 HydrophobicContact CB-CD2 4.43Å; V97-L148 HydrophobicContact CB-CG 4.45Å; V97-L148 HydrophobicContact CG1-CD1 4.37Å; V97-L148 HydrophobicContact CG1-CD2 3.72Å; V97-L148 HydrophobicContact CG1-CG 4.18Å; V97-L157 HydrophobicContact CG1-CD1 3.89Å; V97-L157 HydrophobicContact CG1-CD2 3.75Å; V97-L185 HydrophobicContact CG2-CB 4.04Å; V97-L185 HydrophobicContact CG2-CD2 4.08Å; V97-D186 CarbonylContact C-O 3.53Å; V97-D186 VanDerWaalsContact CA-O 3.3Å; V97-D186 WeakPolarHBondContact CA-O 3.49Å; V97-Y187 HydrophobicContact CB-CD1 3.91Å; V97-Y187 HydrophobicContact CB-CE1 4.11Å; V97-Y187 HydrophobicContact CG2-CD1 3.84Å; V97-Y187 HydrophobicContact CG2-CE1 3.88Å; V97-Y187 HydrophobicContact CG2-CG 4.29Å
98	A	98	Very high	92.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.7	164.2	0	0	0	0	0	109.3	A142 D186	A98-A142 HydrophobicContact CB-CB 4.2Å; A98-D186 PolarHBondContact N-O 3.03Å; A98-D186 PolarHBondContact O-N 3.05Å
99	V	98.5	Very high	93	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.6	178.2	-168.9	0	0	0	0	108.6	L76 F101 T143 I146 L157 F159 V184 L185	L76-V99 HydrophobicContact CD1-CG1 4.48Å; V99-F101 HydrophobicContact CB-CE2 4Å; V99-F101 HydrophobicContact CG1-CD2 3.95Å; V99-F101 HydrophobicContact CG1-CE1 4.4Å; V99-F101 HydrophobicContact CG1-CE2 3.47Å; V99-F101 VanDerWaalsContact CG1-CE2 3.47Å; V99-F101 HydrophobicContact CG1-CZ 3.73Å; V99-T143 HydrophobicContact CB-CG2 4.31Å; V99-T143 PolarHBondContact N-OG1 3.38Å; V99-T143 WeakPolarHBondContact O-CG2 3.5Å; V99-T143 PolarHBondContact O-N 3.18Å; V99-T143 PolarHBondContact O-OG1 2.9Å; V99-I146 HydrophobicContact CG2-CD1 4.37Å; V99-L157 HydrophobicContact CG2-CD1 3.73Å; V99-F159 HydrophobicContact CB-CZ 3.97Å; V99-F159 HydrophobicContact CG1-CZ 4.48Å; V99-F159 HydrophobicContact CG2-CE2 4.16Å; V99-F159 HydrophobicContact CG2-CZ 3.64Å; V99-V184 CarbonylContact C-O 3.58Å; V99-V184 WeakPolarHBondContact CA-O 3.36Å; V99-L185 HydrophobicContact CB-CD2 4.43Å; V99-L185 HydrophobicContact CG1-CD2 4.21Å; V99-L185 HydrophobicContact CG2-CD2 3.65Å
100	T	98.4	Very high	93.2	Very high	38 Å²	38	54.3 Å²	54.3	23%	0.233	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.9	170.4	-57.9	0	0	0	0	108.5	A142 Y183 V184	T100-A142 WeakPolarHBondContact OG1-CA 3.13Å; T100-Y183 CarbonylContact O-C 3.54Å; T100-Y183 VanDerWaalsContact O-CA 3.23Å; T100-Y183 WeakPolarHBondContact O-CA 2.97Å; T100-V184 PolarHBondContact N-O 2.97Å; T100-V184 PolarHBondContact O-N 3.01Å
101	F	98.5	Very high	93.7	Very high	9 Å²	9	53 Å²	53	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.9	170.3	-65	-90.5	0	0	0	109.7	L76 V99 L129 I137 L139 G140 F159 T182 Y183	L76-F101 HydrophobicContact CD1-CE1 4.41Å; L76-F101 HydrophobicContact CD1-CZ 4.05Å; V99-F101 HydrophobicContact CB-CE2 4Å; V99-F101 HydrophobicContact CG1-CD2 3.95Å; V99-F101 HydrophobicContact CG1-CE1 4.4Å; V99-F101 HydrophobicContact CG1-CE2 3.47Å; V99-F101 VanDerWaalsContact CG1-CE2 3.47Å; V99-F101 HydrophobicContact CG1-CZ 3.73Å; F101-L129 HydrophobicContact CB-CD1 3.72Å; F101-L129 HydrophobicContact CD1-CD1 3.77Å; F101-L129 HydrophobicContact CG-CD1 3.78Å; F101-I137 HydrophobicContact CB-CG2 4.45Å; F101-I137 HydrophobicContact CD2-CD1 3.89Å; F101-I137 HydrophobicContact CD2-CG2 4.17Å; F101-I137 HydrophobicContact CE2-CD1 3.88Å; F101-L139 HydrophobicContact CB-CD2 4.22Å; F101-L139 CarbonylContact O-C 3.55Å; F101-L139 WeakPolarHBondContact O-CA 3.43Å; F101-G140 PolarHBondContact O-N 3.25Å; F101-F159 HydrophobicContact CE2-CD1 4.02Å; F101-F159 HydrophobicContact CE2-CD2 4.25Å; F101-F159 AromaticContact CE2-CE1 3.87Å; F101-F159 HydrophobicContact CE2-CE1 3.87Å; F101-F159 HydrophobicContact CE2-CE2 4.11Å; F101-F159 HydrophobicContact CE2-CG 4.2Å; F101-F159 AromaticContact CE2-CZ 3.91Å; F101-F159 HydrophobicContact CE2-CZ 3.91Å; F101-F159 HydrophobicContact CZ-CD1 4.37Å; F101-F159 AromaticContact CZ-CD2 3.85Å; F101-F159 HydrophobicContact CZ-CD2 3.85Å; F101-F159 HydrophobicContact CZ-CE1 4.43Å; F101-F159 AromaticContact CZ-CE2 3.9Å; F101-F159 HydrophobicContact CZ-CE2 3.9Å; F101-F159 HydrophobicContact CZ-CG 4.08Å; F101-F159 HydrophobicContact CZ-CZ 4.2Å; F101-T182 CarbonylContact C-O 3.44Å; F101-T182 VanDerWaalsContact CA-O 3.3Å; F101-T182 WeakPolarHBondContact CA-O 3.49Å; F101-Y183 HydrophobicContact CE1-CG 4.31Å
102	D	97.9	Very high	94.5	Very high	52 Å²	52	50 Å²	50	28%	0.278	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	163.7	174	-152.4	1.8	0	0	0	113.8	K106 G140 A181 T182	D102-K106 WeakPolarHBondContact OD1-CE 3.41Å; D102-K106 IonicContact OD1-NZ 2.7Å; D102-K106 PolarHBondContact OD1-NZ 3.38Å; D102-K106 IonicContact OD2-NZ 3.49Å; D102-K106 PolarHBondContact OD2-NZ 3.32Å; D102-G140 WeakPolarHBondContact OD2-CA 3.27Å; D102-A181 CarbonylContact O-C 3.5Å; D102-A181 WeakPolarHBondContact O-CA 3.15Å; D102-T182 PolarHBondContact N-O 2.99Å; D102-T182 PolarHBondContact O-N 3Å; D102-T182 PolarHBondContact O-OG1 2.95Å
103	S	97.7	Very high	95.2	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	30%	0.303	C	S	.	.			trans	-153.8	147.1	174.3	-170.9	0	0	0	0	110.6	A105 K106 L114 N180	S103-A105 PolarHBondContact OG-N 3.13Å; S103-A105 VanDerWaalsContact OG-N 3.07Å; S103-K106 VanDerWaalsContact O-CD 3.3Å; S103-K106 WeakPolarHBondContact O-CD 3.28Å; S103-K106 WeakPolarHBondContact O-CE 3.33Å; S103-K106 WeakPolarHBondContact O-CG 3.36Å; S103-L114 VanDerWaalsContact CB-CD2 3.46Å; S103-N180 WeakPolarHBondContact CB-O 3.37Å; S103-N180 PolarHBondContact OG-O 2.7Å
104	S	96.4	Very high	95.7	Very high	131 Å²	131	42.6 Å²	42.6	92%	0.916	28%	0.279	S	S	*	.	S	Bend	trans	-71.5	-24.2	165.4	57.4	0	0	0	0	111.8	K106	S104-K106 PolarHBondContact O-N 3.3Å
105	A	97	Very high	95.8	Very high	28 Å²	28	44.8 Å²	44.8	23%	0.231	29%	0.291	C	S	.	.	S	Bend	trans	-96.4	73.6	177.7	0	0	0	0	0	110.4	S103 N115 T117	S103-A105 PolarHBondContact OG-N 3.13Å; S103-A105 VanDerWaalsContact OG-N 3.07Å; A105-N115 PolarHBondContact O-N 3Å; A105-T117 HydrophobicContact CB-CG2 3.78Å
106	K	97.3	Very high	96	Very high	61 Å²	61	42.9 Å²	42.9	27%	0.265	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-133	157.1	176.3	63.2	-176.3	175.3	-177.8	0	112.3	D102 S103 S104 P112 I113 N115 L139	D102-K106 WeakPolarHBondContact OD1-CE 3.41Å; D102-K106 IonicContact OD1-NZ 2.7Å; D102-K106 PolarHBondContact OD1-NZ 3.38Å; D102-K106 IonicContact OD2-NZ 3.49Å; D102-K106 PolarHBondContact OD2-NZ 3.32Å; S103-K106 VanDerWaalsContact O-CD 3.3Å; S103-K106 WeakPolarHBondContact O-CD 3.28Å; S103-K106 WeakPolarHBondContact O-CE 3.33Å; S103-K106 WeakPolarHBondContact O-CG 3.36Å; S104-K106 PolarHBondContact O-N 3.3Å; K106-P112 HydrophobicContact CB-CB 4.47Å; K106-P112 HydrophobicContact CD-CB 4.26Å; K106-P112 HydrophobicContact CG-CB 4.49Å; K106-I113 CarbonylContact C-O 3.5Å; K106-I113 WeakPolarHBondContact CA-O 3.4Å; K106-I113 VanDerWaalsContact CB-O 3.27Å; K106-I113 WeakPolarHBondContact CB-O 3.5Å; K106-N115 PolarHBondContact O-ND2 2.85Å; K106-N115 VanDerWaalsContact O-ND2 3.15Å; K106-L139 HydrophobicContact CB-CD1 3.76Å; K106-L139 HydrophobicContact CD-CB 3.92Å; K106-L139 HydrophobicContact CD-CD1 3.92Å; K106-L139 HydrophobicContact CG-CD1 4.49Å
107	T	96	Very high	96	Very high	28 Å²	28	42.4 Å²	42.4	17%	0.172	28%	0.279	C	S	.	.			trans	-65.2	162.9	172.7	61.4	0	0	0	0	110.7	P112 I113 N115 I166	T107-P112 VanDerWaalsContact O-CB 3.25Å; T107-P112 WeakPolarHBondContact O-CB 3.2Å; T107-P112 WeakPolarHBondContact OG1-CA 3.34Å; T107-I113 HydrophobicContact CG2-CG1 3.7Å; T107-I113 PolarHBondContact N-O 2.93Å; T107-I113 PolarHBondContact OG1-N 2.98Å; T107-N115 WeakPolarHBondContact CG2-OD1 3.46Å; T107-I166 HydrophobicContact CG2-CD1 4.46Å; T107-I166 HydrophobicContact CG2-CG1 4.28Å; T107-I166 HydrophobicContact CG2-CG2 3.97Å
108	T	92.4	Very high	95.8	Very high	141 Å²	141	43.1 Å²	43.1	87%	0.865	28%	0.284	S	S	*	.			trans	-98.1	154.8	175	59.2	0	0	0	0	110.5
109	G	89.5	Confident	95.3	Very high	65 Å²	65	49.8 Å²	49.8	67%	0.67	33%	0.325	S	S	*	.	S	Bend	trans	126.2	-168.8	179.1	0	0	0	0	0	112.7
110	A	86.4	Confident	94.5	Very high	101 Å²	101	53.2 Å²	53.2	84%	0.835	36%	0.36	S	S	*	.	S	Bend	trans	-78	-23	-177.3	0	0	0	0	0	113.6
111	D	91.7	Very high	94	Very high	67 Å²	67	55.5 Å²	55.5	36%	0.358	37%	0.368	S	S	.	.	S	Bend	trans	-132.5	69.5	-177.5	-170.1	14.6	0	0	0	111.3	R128 N136	D111-R128 VanDerWaalsContact CG-NH1 3.29Å; D111-R128 PolarHBondContact O-NH1 2.85Å; D111-R128 IonicContact OD1-CZ 3.85Å; D111-R128 IonicContact OD1-NH1 2.77Å; D111-R128 PolarHBondContact OD1-NH1 2.95Å; D111-R128 IonicContact OD2-CZ 3.46Å; D111-R128 IonicContact OD2-NH1 2.84Å; D111-R128 PolarHBondContact OD2-NH1 3.29Å; D111-R128 IonicContact OD2-NH2 3.68Å; D111-N136 PolarHBondContact OD2-ND2 3.07Å
112	P	95.5	Very high	93.9	Very high	12 Å²	12	55.3 Å²	55.3	8%	0.078	37%	0.368	C	S	.	.			trans	-69	143.6	-173.5	30.4	-37.1	0	0	0	112.8	K106 T107 R128 L139	K106-P112 HydrophobicContact CB-CB 4.47Å; K106-P112 HydrophobicContact CD-CB 4.26Å; K106-P112 HydrophobicContact CG-CB 4.49Å; T107-P112 VanDerWaalsContact O-CB 3.25Å; T107-P112 WeakPolarHBondContact O-CB 3.2Å; T107-P112 WeakPolarHBondContact OG1-CA 3.34Å; P112-R128 PolarHBondContact O-NH1 2.95Å; P112-L139 HydrophobicContact CB-CD1 4.4Å; P112-L139 HydrophobicContact CG-CB 4.04Å; P112-L139 HydrophobicContact CG-CG 4.47Å
113	I	97.5	Very high	93.8	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	38%	0.375	C	S	.	.			trans	-113.4	161.2	167.4	50.5	-175.6	0	0	0	111.6	K106 T107 N115 V127 R128 E164 I166	K106-I113 CarbonylContact C-O 3.5Å; K106-I113 WeakPolarHBondContact CA-O 3.4Å; K106-I113 VanDerWaalsContact CB-O 3.27Å; K106-I113 WeakPolarHBondContact CB-O 3.5Å; T107-I113 HydrophobicContact CG2-CG1 3.7Å; T107-I113 PolarHBondContact N-O 2.93Å; T107-I113 PolarHBondContact OG1-N 2.98Å; I113-N115 PolarHBondContact O-N 2.86Å; I113-V127 WeakPolarHBondContact CB-O 3.43Å; I113-R128 HydrophobicContact CG2-CB 4.14Å; I113-E164 HydrophobicContact CD1-CB 4.45Å; I113-I166 HydrophobicContact CD1-CB 4.42Å; I113-I166 HydrophobicContact CD1-CG1 3.71Å; I113-I166 HydrophobicContact CG1-CG1 4.39Å
114	L	98.4	Very high	93.7	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.037	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.8	172	-53.9	171.5	0	0	0	109	S103 G126 V127 L129 L139 A179 A181	S103-L114 VanDerWaalsContact CB-CD2 3.46Å; L114-G126 CarbonylContact O-C 3.33Å; L114-G126 WeakPolarHBondContact O-CA 3.4Å; L114-V127 HydrophobicContact CB-CB 4.24Å; L114-V127 WeakPolarHBondContact CB-O 3.21Å; L114-V127 HydrophobicContact CD1-CB 4.35Å; L114-V127 HydrophobicContact CD1-CG1 4.42Å; L114-V127 PolarHBondContact N-O 3.48Å; L114-V127 PolarHBondContact O-N 3.38Å; L114-L129 HydrophobicContact CD1-CD1 4.11Å; L114-L129 HydrophobicContact CD1-CG 4.28Å; L114-L139 HydrophobicContact CD2-CD1 3.66Å; L114-L139 HydrophobicContact CD2-CD2 4.16Å; L114-L139 HydrophobicContact CG-CD1 4.13Å; L114-A179 HydrophobicContact CB-CB 3.78Å; L114-A179 HydrophobicContact CD1-CB 4.19Å; L114-A181 HydrophobicContact CD1-CB 3.94Å; L114-A181 HydrophobicContact CD2-CB 3.92Å
115	N	97.3	Very high	93.8	Very high	51 Å²	51	50 Å²	50	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.6	173.6	-77.7	-36	0	0	0	110	A105 K106 T107 I113	A105-N115 PolarHBondContact O-N 3Å; K106-N115 PolarHBondContact O-ND2 2.85Å; K106-N115 VanDerWaalsContact O-ND2 3.15Å; T107-N115 WeakPolarHBondContact CG2-OD1 3.46Å; I113-N115 PolarHBondContact O-N 2.86Å
116	N	97.4	Very high	93.8	Very high	16 Å²	16	48.7 Å²	48.7	9%	0.086	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-64.7	134.2	162.2	-167.9	4.8	0	0	0	109.8	S118 E121 A122 A176 V177 T178	N116-S118 WeakPolarHBondContact OD1-CB 3.14Å; N116-S118 PolarHBondContact OD1-N 3.5Å; N116-S118 VanDerWaalsContact OD1-N 3.11Å; N116-E121 WeakPolarHBondContact ND2-CB 3.19Å; N116-A122 PolarHBondContact ND2-N 3.44Å; N116-A122 PolarHBondContact ND2-O 2.94Å; N116-A176 PolarHBondContact ND2-O 3.24Å; N116-V177 VanDerWaalsContact OD1-CA 3.31Å; N116-V177 WeakPolarHBondContact OD1-CA 3.48Å; N116-T178 CarbonylContact C-O 3.58Å; N116-T178 WeakPolarHBondContact CA-O 3.47Å; N116-T178 PolarHBondContact OD1-N 3.45Å; N116-T178 PolarHBondContact OD1-O 2.63Å
117	T	96.3	Very high	93.9	Very high	62 Å²	62	46.2 Å²	46.2	38%	0.38	31%	0.314	S	S	.	.			trans	-125.2	14.8	178.3	67.3	0	0	0	0	112.4	A105 T178	A105-T117 HydrophobicContact CB-CG2 3.78Å; T117-T178 PolarHBondContact N-O 2.84Å; T117-T178 PolarHBondContact OG1-O 2.9Å
118	S	94.4	Very high	94	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	31%	0.308	C	S	.	.			trans	-66.6	155.5	179.8	-102.1	0	0	0	0	112.7	N116 E121 A176 T178	N116-S118 WeakPolarHBondContact OD1-CB 3.14Å; N116-S118 PolarHBondContact OD1-N 3.5Å; N116-S118 VanDerWaalsContact OD1-N 3.11Å; S118-E121 WeakPolarHBondContact O-CB 3.46Å; S118-A176 WeakPolarHBondContact CB-O 3.45Å; S118-A176 WeakPolarHBondContact OG-CB 3.35Å; S118-T178 WeakPolarHBondContact OG-CB 3.2Å; S118-T178 PolarHBondContact OG-N 3.18Å; S118-T178 PolarHBondContact OG-OG1 3.29Å
119	T	86.5	Confident	94.3	Very high	140 Å²	140	39.4 Å²	39.4	86%	0.859	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	134.2	166.1	57.4	0	0	0	0	109.8	E121	T119-E121 VanDerWaalsContact C-N 3.27Å
120	G	81.9	Confident	94.7	Very high	71 Å²	71	36.3 Å²	36.3	73%	0.732	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	35.6	-169.9	0	0	0	0	0	112.5
121	E	87.3	Confident	95.3	Very high	87 Å²	87	32.3 Å²	32.3	41%	0.407	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-59.4	145.5	-171.3	49.1	-173.2	-166.4	0	0	114.8	N116 S118 T119 T123	N116-E121 WeakPolarHBondContact ND2-CB 3.19Å; S118-E121 WeakPolarHBondContact O-CB 3.46Å; T119-E121 VanDerWaalsContact C-N 3.27Å; E121-T123 PolarHBondContact O-N 2.85Å
122	A	96.8	Very high	95.5	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-60.9	131	156.7	0	0	0	0	0	108.8	N116 V125 T173 A176 V177	N116-A122 PolarHBondContact ND2-N 3.44Å; N116-A122 PolarHBondContact ND2-O 2.94Å; A122-V125 HydrophobicContact CB-CG1 3.57Å; A122-T173 WeakPolarHBondContact CA-O 3.01Å; A122-T173 WeakPolarHBondContact CB-O 3.29Å; A122-A176 PolarHBondContact N-O 3.26Å; A122-V177 HydrophobicContact CB-CG2 4.03Å
123	T	96.5	Very high	95.6	Very high	68 Å²	68	41.3 Å²	41.3	42%	0.417	24%	0.244	S	C	.	.	S	Bend	trans	-95.7	153.7	176.7	69.4	0	0	0	0	111	E121 V125 V172 T173	E121-T123 PolarHBondContact O-N 2.85Å; T123-V125 VanDerWaalsContact C-N 3.27Å; T123-V125 PolarHBondContact O-N 3.49Å; T123-V172 VanDerWaalsContact O-CA 3.27Å; T123-V172 WeakPolarHBondContact O-CA 3Å; T123-T173 WeakPolarHBondContact CB-OG1 3.37Å; T123-T173 PolarHBondContact N-OG1 2.71Å; T123-T173 PolarHBondContact O-N 2.8Å; T123-T173 VanDerWaalsContact O-N 3.11Å; T123-T173 VanDerWaalsContact OG1-CG2 3.29Å; T123-T173 WeakPolarHBondContact OG1-CG2 3.3Å; T123-T173 PolarHBondContact OG1-OG1 2.72Å
124	G	95.9	Very high	95.5	Very high	19 Å²	19	45.9 Å²	45.9	20%	0.196	27%	0.265	C	S	.	.	S	Bend	trans	77.5	7.1	176.8	0	0	0	0	0	115	Q165 I166	G124-Q165 WeakPolarHBondContact O-CA 3.3Å; G124-I166 PolarHBondContact O-N 2.74Å
125	V	97.8	Very high	95.4	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.5	179.8	63.6	0	0	0	0	110.8	I63 A122 T123 M163 E164 I166 V172 V177	I63-V125 HydrophobicContact CD1-CG2 3.7Å; A122-V125 HydrophobicContact CB-CG1 3.57Å; T123-V125 VanDerWaalsContact C-N 3.27Å; T123-V125 PolarHBondContact O-N 3.49Å; V125-M163 HydrophobicContact CG2-CB 3.93Å; V125-E164 CarbonylContact C-O 3.6Å; V125-E164 WeakPolarHBondContact CA-O 3.23Å; V125-E164 WeakPolarHBondContact CG2-O 3.3Å; V125-I166 WeakPolarHBondContact O-CD1 3.37Å; V125-V172 HydrophobicContact CB-CG1 3.8Å; V125-V172 HydrophobicContact CB-CG2 4.03Å; V125-V172 HydrophobicContact CG1-CG1 3.99Å; V125-V177 HydrophobicContact CG1-CG2 3.79Å
126	G	97.6	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	-169.3	170.4	0	0	0	0	0	110.9	L114 M163 E164	L114-G126 CarbonylContact O-C 3.33Å; L114-G126 WeakPolarHBondContact O-CA 3.4Å; G126-M163 CarbonylContact O-C 3.56Å; G126-M163 WeakPolarHBondContact O-CA 3.44Å; G126-E164 PolarHBondContact N-O 2.82Å; G126-E164 PolarHBondContact O-N 2.97Å
127	V	98.6	Very high	95.4	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.1	177.5	-179.6	0	0	0	0	110	L55 I113 L114 A161 W162 V177 A179	L55-V127 HydrophobicContact CD1-CB 4.49Å; L55-V127 HydrophobicContact CD1-CG1 4.04Å; L55-V127 HydrophobicContact CD1-CG2 3.59Å; I113-V127 WeakPolarHBondContact CB-O 3.43Å; L114-V127 HydrophobicContact CB-CB 4.24Å; L114-V127 WeakPolarHBondContact CB-O 3.21Å; L114-V127 HydrophobicContact CD1-CB 4.35Å; L114-V127 HydrophobicContact CD1-CG1 4.42Å; L114-V127 PolarHBondContact N-O 3.48Å; L114-V127 PolarHBondContact O-N 3.38Å; V127-A161 HydrophobicContact CG1-CB 4.26Å; V127-W162 WeakPolarHBondContact CA-O 3.38Å; V127-V177 HydrophobicContact CG2-CG1 3.95Å; V127-A179 HydrophobicContact CB-CB 3.88Å; V127-A179 HydrophobicContact CG2-CB 3.61Å
128	R	98.3	Very high	95.5	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.045	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.4	175.6	177.6	66.1	60.8	-172.2	6.4	109	D111 P112 I113 M130 A161 W162 E164	D111-R128 VanDerWaalsContact CG-NH1 3.29Å; D111-R128 PolarHBondContact O-NH1 2.85Å; D111-R128 IonicContact OD1-CZ 3.85Å; D111-R128 IonicContact OD1-NH1 2.77Å; D111-R128 PolarHBondContact OD1-NH1 2.95Å; D111-R128 IonicContact OD2-CZ 3.46Å; D111-R128 IonicContact OD2-NH1 2.84Å; D111-R128 PolarHBondContact OD2-NH1 3.29Å; D111-R128 IonicContact OD2-NH2 3.68Å; P112-R128 PolarHBondContact O-NH1 2.95Å; I113-R128 HydrophobicContact CG2-CB 4.14Å; R128-M130 HydrophobicContact CG-CG 3.91Å; R128-M130 HydrophobicContact CG-SD 4.44Å; R128-A161 WeakPolarHBondContact O-CA 3.48Å; R128-W162 VanDerWaalsContact CB-CD1 3.47Å; R128-W162 PolarHBondContact N-O 3.11Å; R128-W162 PolarHBondContact O-N 3.08Å; R128-E164 HydrophobicContact CB-CB 4.17Å; R128-E164 WeakPolarHBondContact CB-OE2 3.36Å; R128-E164 WeakPolarHBondContact CG-OE2 3.45Å; R128-E164 IonicContact CZ-OE1 2.64Å; R128-E164 IonicContact NE-OE1 2.71Å; R128-E164 PolarHBondContact NE-OE1 2.8Å; R128-E164 VanDerWaalsContact NE-OE1 3.1Å; R128-E164 IonicContact NE-OE2 3.81Å; R128-E164 PolarHBondContact NE-OE2 3.36Å; R128-E164 VanDerWaalsContact NE-OE2 3.08Å; R128-E164 IonicContact NH2-OE1 3.46Å; R128-E164 PolarHBondContact NH2-OE1 3.41Å
129	L	98.6	Very high	95.6	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.4	167.5	-69.9	172.5	0	0	0	109.8	F101 L114 I137 L139 A161 A181	F101-L129 HydrophobicContact CB-CD1 3.72Å; F101-L129 HydrophobicContact CD1-CD1 3.77Å; F101-L129 HydrophobicContact CG-CD1 3.78Å; L114-L129 HydrophobicContact CD1-CD1 4.11Å; L114-L129 HydrophobicContact CD1-CG 4.28Å; L129-I137 HydrophobicContact CB-CB 4.22Å; L129-I137 HydrophobicContact CB-CD1 4.2Å; L129-I137 PolarHBondContact O-N 2.91Å; L129-L139 HydrophobicContact CD1-CD2 4.12Å; L129-A161 HydrophobicContact CD2-CB 3.99Å; L129-A181 HydrophobicContact CD1-CB 4.34Å
130	M	98.5	Very high	96.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.5	-175.8	-61.7	166.9	-80.2	0	0	111.6	A71 R128 Q134 S135 F159 F160 W162	A71-M130 HydrophobicContact CB-CE 4.43Å; R128-M130 HydrophobicContact CG-CG 3.91Å; R128-M130 HydrophobicContact CG-SD 4.44Å; M130-Q134 HydrophobicContact SD-CB 4.31Å; M130-S135 CarbonylContact C-O 3.54Å; M130-S135 WeakPolarHBondContact CA-O 3.34Å; M130-S135 WeakPolarHBondContact CB-O 3.36Å; M130-F159 WeakPolarHBondContact O-CA 3.49Å; M130-F159 WeakPolarHBondContact O-CB 3.4Å; M130-F160 HydrophobicContact CB-CB 4.24Å; M130-F160 HydrophobicContact CE-CB 3.87Å; M130-F160 PolarHBondContact N-O 2.83Å; M130-F160 PolarHBondContact O-N 3.46Å; M130-W162 HydrophobicContact CE-CB 4.34Å; M130-W162 HydrophobicContact CE-CD2 3.44Å; M130-W162 VanDerWaalsContact CE-CD2 3.44Å; M130-W162 HydrophobicContact CE-CE3 3.65Å; M130-W162 HydrophobicContact CE-CG 3.77Å; M130-W162 HydrophobicContact CE-CH2 4.41Å; M130-W162 HydrophobicContact CE-CZ2 4.27Å; M130-W162 HydrophobicContact CE-CZ3 4.13Å; M130-W162 HydrophobicContact SD-CD2 3.99Å; M130-W162 HydrophobicContact SD-CE3 4.09Å; M130-W162 HydrophobicContact SD-CH2 3.75Å; M130-W162 HydrophobicContact SD-CZ2 3.66Å; M130-W162 HydrophobicContact SD-CZ3 3.97Å
131	N	98.1	Very high	96.8	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	172.9	172.1	-64.9	-60.5	0	0	0	111.3	D133 Q134 S135 I137 T143	N131-D133 WeakPolarHBondContact CB-OD1 3.44Å; N131-D133 PolarHBondContact O-N 2.82Å; N131-D133 VanDerWaalsContact O-N 3.13Å; N131-Q134 WeakPolarHBondContact O-CA 3.48Å; N131-Q134 PolarHBondContact O-N 3.26Å; N131-S135 PolarHBondContact N-O 2.8Å; N131-S135 PolarHBondContact ND2-O 3.18Å; N131-S135 PolarHBondContact ND2-OG 3.38Å; N131-I137 WeakPolarHBondContact OD1-CG1 3.48Å; N131-T143 WeakPolarHBondContact OD1-CG2 3.21Å
132	K	97	Very high	97.3	Very high	149 Å²	149	41.2 Å²	41.2	65%	0.648	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-34	173.5	168	178.4	166	63.9	0	114.4	N158	K132-N158 HydrophobicContact CB-CB 4.37Å; K132-N158 WeakPolarHBondContact CB-O 3.23Å; K132-N158 PolarHBondContact N-O 2.62Å
133	D	96.3	Very high	97.4	Very high	119 Å²	119	41.4 Å²	41.4	64%	0.636	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	8.1	178.7	66.3	-6.7	0	0	0	113.2	N131 S135	N131-D133 WeakPolarHBondContact CB-OD1 3.44Å; N131-D133 PolarHBondContact O-N 2.82Å; N131-D133 VanDerWaalsContact O-N 3.13Å; D133-S135 PolarHBondContact O-N 3.15Å; D133-S135 VanDerWaalsContact OD1-CB 3.3Å; D133-S135 WeakPolarHBondContact OD1-CB 3.11Å; D133-S135 PolarHBondContact OD1-N 3.14Å; D133-S135 PolarHBondContact OD1-OG 2.74Å
134	Q	95.9	Very high	97.4	Very high	99 Å²	99	42.5 Å²	42.5	46%	0.463	25%	0.25	S	S	.	.			trans	62.9	16.6	-174.8	-57.9	-179.3	21.9	0	0	114.6	M130 N131 F160	M130-Q134 HydrophobicContact SD-CB 4.31Å; N131-Q134 WeakPolarHBondContact O-CA 3.48Å; N131-Q134 PolarHBondContact O-N 3.26Å; Q134-F160 HydrophobicContact CG-CD2 4.06Å; Q134-F160 HydrophobicContact CG-CE2 4.46Å; Q134-F160 HydrophobicContact CG-CG 4.43Å
135	S	97.2	Very high	97.5	Very high	49 Å²	49	44.9 Å²	44.9	34%	0.343	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-70	145.7	166.8	96.1	0	0	0	0	110.2	M130 N131 D133 I137	M130-S135 CarbonylContact C-O 3.54Å; M130-S135 WeakPolarHBondContact CA-O 3.34Å; M130-S135 WeakPolarHBondContact CB-O 3.36Å; N131-S135 PolarHBondContact N-O 2.8Å; N131-S135 PolarHBondContact ND2-O 3.18Å; N131-S135 PolarHBondContact ND2-OG 3.38Å; D133-S135 PolarHBondContact O-N 3.15Å; D133-S135 VanDerWaalsContact OD1-CB 3.3Å; D133-S135 WeakPolarHBondContact OD1-CB 3.11Å; D133-S135 PolarHBondContact OD1-N 3.14Å; D133-S135 PolarHBondContact OD1-OG 2.74Å; S135-I137 PolarHBondContact O-N 3.36Å
136	N	97.2	Very high	97.5	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-59.5	136.5	178.2	-67.4	2.3	0	0	0	111.4	D111	D111-N136 PolarHBondContact OD2-ND2 3.07Å
137	I	97.8	Very high	97.4	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-84.5	130.7	163.7	-71.2	168.6	0	0	0	108.2	F101 L129 N131 S135 T143 F159	F101-I137 HydrophobicContact CB-CG2 4.45Å; F101-I137 HydrophobicContact CD2-CD1 3.89Å; F101-I137 HydrophobicContact CD2-CG2 4.17Å; F101-I137 HydrophobicContact CE2-CD1 3.88Å; L129-I137 HydrophobicContact CB-CB 4.22Å; L129-I137 HydrophobicContact CB-CD1 4.2Å; L129-I137 PolarHBondContact O-N 2.91Å; N131-I137 WeakPolarHBondContact OD1-CG1 3.48Å; S135-I137 PolarHBondContact O-N 3.36Å; I137-T143 HydrophobicContact CD1-CG2 4.16Å; I137-T143 HydrophobicContact CG1-CG2 4.16Å; I137-F159 HydrophobicContact CD1-CD1 3.63Å; I137-F159 HydrophobicContact CD1-CE1 4.06Å
138	V	96.7	Very high	97.4	Very high	63 Å²	63	53 Å²	53	38%	0.382	30%	0.301	S	S	.	.			trans	-87.1	111.9	173.2	-177.4	0	0	0	0	108.9	G140 T141	V138-G140 PolarHBondContact O-N 3.39Å; V138-T141 WeakPolarHBondContact O-CB 3.49Å; V138-T141 PolarHBondContact O-N 3.22Å
139	L	97.8	Very high	97.2	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.052	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	132.2	-177.4	-59.2	176.7	0	0	0	112.4	F101 K106 P112 L114 L129 T141	F101-L139 HydrophobicContact CB-CD2 4.22Å; F101-L139 CarbonylContact O-C 3.55Å; F101-L139 WeakPolarHBondContact O-CA 3.43Å; K106-L139 HydrophobicContact CB-CD1 3.76Å; K106-L139 HydrophobicContact CD-CB 3.92Å; K106-L139 HydrophobicContact CD-CD1 3.92Å; K106-L139 HydrophobicContact CG-CD1 4.49Å; P112-L139 HydrophobicContact CB-CD1 4.4Å; P112-L139 HydrophobicContact CG-CB 4.04Å; P112-L139 HydrophobicContact CG-CG 4.47Å; L114-L139 HydrophobicContact CD2-CD1 3.66Å; L114-L139 HydrophobicContact CD2-CD2 4.16Å; L114-L139 HydrophobicContact CG-CD1 4.13Å; L129-L139 HydrophobicContact CD1-CD2 4.12Å; L139-T141 VanDerWaalsContact C-N 3.29Å
140	G	96.3	Very high	96.7	Very high	36 Å²	36	57.4 Å²	57.4	37%	0.371	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	4.1	-175.4	0	0	0	0	0	114.2	F101 D102 V138	F101-G140 PolarHBondContact O-N 3.25Å; D102-G140 WeakPolarHBondContact OD2-CA 3.27Å; V138-G140 PolarHBondContact O-N 3.39Å
141	T	96.7	Very high	96.2	Very high	79 Å²	79	63.6 Å²	63.6	49%	0.485	37%	0.373	S	S	.	.	S	Bend	trans	-116.6	141.2	173.1	-54.3	0	0	0	0	109.7	V138 L139	V138-T141 WeakPolarHBondContact O-CB 3.49Å; V138-T141 PolarHBondContact O-N 3.22Å; L139-T141 VanDerWaalsContact C-N 3.29Å
142	A	97.7	Very high	95.9	Very high	47 Å²	47	64.9 Å²	64.9	39%	0.388	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-62.5	139	175.5	0	0	0	0	0	111.2	A98 T100	A98-A142 HydrophobicContact CB-CB 4.2Å; T100-A142 WeakPolarHBondContact OG1-CA 3.13Å
143	T	98	Very high	95.8	Very high	10 Å²	10	61.1 Å²	61.1	6%	0.061	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.5	163.6	170	61.7	0	0	0	0	110.5	V99 N131 I137 F159	V99-T143 HydrophobicContact CB-CG2 4.31Å; V99-T143 PolarHBondContact N-OG1 3.38Å; V99-T143 WeakPolarHBondContact O-CG2 3.5Å; V99-T143 PolarHBondContact O-N 3.18Å; V99-T143 PolarHBondContact O-OG1 2.9Å; N131-T143 WeakPolarHBondContact OD1-CG2 3.21Å; I137-T143 HydrophobicContact CD1-CG2 4.16Å; I137-T143 HydrophobicContact CG1-CG2 4.16Å; T143-F159 HydrophobicContact CG2-CE1 4.05Å
144	P	97.4	Very high	95.9	Very high	91 Å²	91	61.5 Å²	61.5	59%	0.591	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-50.1	148.7	158.9	-24.1	34.8	0	0	0	110.9	I146	P144-I146 PolarHBondContact O-N 3.32Å
145	D	97.4	Very high	95.9	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-60.8	133.8	177.5	-68.2	-12.6	0	0	0	110.3	K96 K188	K96-D145 HydrophobicContact CB-CB 4.27Å; K96-D145 HydrophobicContact CD-CB 3.9Å; K96-D145 HydrophobicContact CG-CB 4.41Å; D145-K188 IonicContact OD1-NZ 2.74Å; D145-K188 PolarHBondContact OD1-NZ 3.37Å
146	I	97.9	Very high	96	Very high	45 Å²	45	58.7 Å²	58.7	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.5	173.7	-54.4	170.9	0	0	0	107.3	K96 V97 V99 P144 L157 F159	K96-I146 CarbonylContact C-O 3.49Å; K96-I146 VanDerWaalsContact CA-O 3.23Å; K96-I146 WeakPolarHBondContact CA-O 3.16Å; V97-I146 HydrophobicContact CG1-CB 4.14Å; V97-I146 PolarHBondContact N-O 2.88Å; V97-I146 PolarHBondContact O-N 2.62Å; V99-I146 HydrophobicContact CG2-CD1 4.37Å; P144-I146 PolarHBondContact O-N 3.32Å; I146-L157 HydrophobicContact CB-CD2 4.4Å; I146-L157 HydrophobicContact CD1-CB 4.23Å; I146-L157 HydrophobicContact CD1-CD1 4.47Å; I146-L157 HydrophobicContact CD1-CD2 4.13Å; I146-L157 HydrophobicContact CG2-CD2 3.89Å; I146-F159 HydrophobicContact CD1-CE1 4.28Å; I146-F159 HydrophobicContact CD1-CZ 3.77Å
147	D	96.8	Very high	96	Very high	124 Å²	124	55.8 Å²	55.8	66%	0.663	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	135	175.5	-67.3	-46.6	0	0	0	110.6	K96	K96-D147 WeakPolarHBondContact CE-OD1 3.3Å
148	L	96.9	Very high	96	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.063	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-102.5	142.4	175.4	-60.8	177.8	0	0	0	110.2	L78 L83 I94 S95 V97 P150 Q155 L157 Y187	L78-L148 HydrophobicContact CD1-CD2 4.5Å; L83-L148 HydrophobicContact CD1-CB 3.62Å; L83-L148 HydrophobicContact CD1-CD1 4.14Å; L83-L148 HydrophobicContact CD2-CD1 3.98Å; I94-L148 HydrophobicContact CG2-CD1 4.23Å; S95-L148 PolarHBondContact O-N 2.86Å; V97-L148 HydrophobicContact CB-CD1 4.18Å; V97-L148 HydrophobicContact CB-CD2 4.43Å; V97-L148 HydrophobicContact CB-CG 4.45Å; V97-L148 HydrophobicContact CG1-CD1 4.37Å; V97-L148 HydrophobicContact CG1-CD2 3.72Å; V97-L148 HydrophobicContact CG1-CG 4.18Å; L148-P150 VanDerWaalsContact O-CD 3.29Å; L148-P150 WeakPolarHBondContact O-CD 3.33Å; L148-Q155 HydrophobicContact CD2-CB 4.19Å; L148-Q155 HydrophobicContact CD2-CG 3.99Å; L148-L157 HydrophobicContact CD2-CD2 4.22Å; L148-Y187 HydrophobicContact CD1-CD1 3.96Å; L148-Y187 HydrophobicContact CD1-CE1 4.1Å
149	A	94.8	Very high	96.1	Very high	44 Å²	44	55.3 Å²	55.3	36%	0.364	34%	0.341	S	S	.	.			trans	-79.8	111.1	176.8	0	0	0	0	0	110.1	T151 S152 Q155	A149-T151 PolarHBondContact O-N 3.45Å; A149-T151 VanDerWaalsContact O-N 3.11Å; A149-S152 PolarHBondContact O-N 2.94Å; A149-S152 VanDerWaalsContact O-N 3.08Å; A149-Q155 PolarHBondContact O-NE2 2.91Å
150	P	88	Confident	96.2	Very high	75 Å²	75	57.2 Å²	57.2	49%	0.487	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.3	-168.9	23.1	-33.8	0	0	0	114.2	L148	L148-P150 VanDerWaalsContact O-CD 3.29Å; L148-P150 WeakPolarHBondContact O-CD 3.33Å
151	T	87.6	Confident	96.3	Very high	130 Å²	130	55.7 Å²	55.7	80%	0.798	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	3.2	-177.7	62.2	0	0	0	0	113.4	A149	A149-T151 PolarHBondContact O-N 3.45Å; A149-T151 VanDerWaalsContact O-N 3.11Å
152	S	93.4	Very high	96.3	Very high	45 Å²	45	53.5 Å²	53.5	32%	0.315	32%	0.315	S	S	.	.			trans	-103.7	127	-178.7	-171.5	0	0	0	0	110.5	A149 E154 Q155	A149-S152 PolarHBondContact O-N 2.94Å; A149-S152 VanDerWaalsContact O-N 3.08Å; S152-E154 WeakPolarHBondContact CB-O 3.16Å; S152-E154 PolarHBondContact O-N 3.41Å; S152-E154 PolarHBondContact OG-N 3.01Å; S152-E154 PolarHBondContact OG-O 3.08Å; S152-Q155 PolarHBondContact O-NE2 2.82Å
153	S	94.6	Very high	96.4	Very high	69 Å²	69	51.9 Å²	51.9	48%	0.483	30%	0.3	S	S	.	.	S	Bend	trans	-74.9	-12.3	171.8	57.1	0	0	0	0	112.7	V79 N80 C81	V79-S153 CarbonylContact C-O 3.53Å; V79-S153 WeakPolarHBondContact CA-O 3.4Å; N80-S153 PolarHBondContact N-O 2.84Å; C81-S153 PolarHBondContact N-O 3.03Å
154	E	97.2	Very high	96.4	Very high	128 Å²	128	53 Å²	53	60%	0.598	30%	0.304	S	S	*	.			trans	-120.4	137.6	177.1	-65.4	-176.3	-169.4	0	0	110.7	L78 V79 S152	L78-E154 CarbonylContact O-C 3.57Å; L78-E154 VanDerWaalsContact O-CA 3.3Å; L78-E154 WeakPolarHBondContact O-CA 3.48Å; V79-E154 HydrophobicContact CG1-CG 4.47Å; S152-E154 WeakPolarHBondContact CB-O 3.16Å; S152-E154 PolarHBondContact O-N 3.41Å; S152-E154 PolarHBondContact OG-N 3.01Å; S152-E154 PolarHBondContact OG-O 3.08Å
155	Q	97.5	Very high	96.3	Very high	17 Å²	17	49.1 Å²	49.1	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.4	174.7	-46.2	-73.6	-29.5	0	0	108.1	R77 L78 L148 A149 S152	R77-Q155 WeakPolarHBondContact CA-O 3.33Å; L78-Q155 HydrophobicContact CB-CB 4.03Å; L78-Q155 HydrophobicContact CB-CG 4.46Å; L78-Q155 HydrophobicContact CD1-CB 4.21Å; L78-Q155 HydrophobicContact CG-CB 4.35Å; L78-Q155 PolarHBondContact N-O 2.81Å; L78-Q155 PolarHBondContact O-N 2.93Å; L148-Q155 HydrophobicContact CD2-CB 4.19Å; L148-Q155 HydrophobicContact CD2-CG 3.99Å; A149-Q155 PolarHBondContact O-NE2 2.91Å; S152-Q155 PolarHBondContact O-NE2 2.82Å
156	T	97.7	Very high	96.3	Very high	71 Å²	71	49.4 Å²	49.4	44%	0.436	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	118	172	-56.1	0	0	0	0	108.5	D75 R77	D75-T156 HydrophobicContact CB-CG2 3.96Å; R77-T156 HydrophobicContact CG-CG2 4.48Å
157	L	98.2	Very high	96.1	Very high	3 Å²	3	51 Å²	51	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.8	173.2	-45.6	-177.7	0	0	0	107.4	L76 L78 V97 V99 I146 L148 F159 L185	L76-L157 HydrophobicContact CB-CB 4.31Å; L76-L157 PolarHBondContact N-O 2.64Å; L76-L157 PolarHBondContact O-N 2.95Å; L78-L157 HydrophobicContact CD1-CD1 4.21Å; L78-L157 HydrophobicContact CD1-CD2 4.45Å; L78-L157 HydrophobicContact CD1-CG 4.35Å; V97-L157 HydrophobicContact CG1-CD1 3.89Å; V97-L157 HydrophobicContact CG1-CD2 3.75Å; V99-L157 HydrophobicContact CG2-CD1 3.73Å; I146-L157 HydrophobicContact CB-CD2 4.4Å; I146-L157 HydrophobicContact CD1-CB 4.23Å; I146-L157 HydrophobicContact CD1-CD1 4.47Å; I146-L157 HydrophobicContact CD1-CD2 4.13Å; I146-L157 HydrophobicContact CG2-CD2 3.89Å; L148-L157 HydrophobicContact CD2-CD2 4.22Å; L157-F159 HydrophobicContact CB-CD2 4.45Å; L157-F159 HydrophobicContact CB-CE2 3.62Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-L185 HydrophobicContact CD1-CD2 3.94Å
158	N	98.1	Very high	95.9	Very high	56 Å²	56	51.3 Å²	51.3	30%	0.299	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.1	-176.4	-55	116.4	0	0	0	111	D75 K132	D75-N158 PolarHBondContact OD1-ND2 2.9Å; K132-N158 HydrophobicContact CB-CB 4.37Å; K132-N158 WeakPolarHBondContact CB-O 3.23Å; K132-N158 PolarHBondContact N-O 2.62Å
159	F	98.6	Very high	95.8	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	172.2	171.7	-57.3	-78.2	0	0	0	110.1	V74 L76 V99 F101 M130 I137 T143 I146 L157	V74-F159 HydrophobicContact CB-CB 4.12Å; V74-F159 PolarHBondContact N-O 2.8Å; V74-F159 WeakPolarHBondContact O-CB 3.29Å; V74-F159 PolarHBondContact O-N 3.46Å; L76-F159 HydrophobicContact CD1-CD2 4.31Å; L76-F159 HydrophobicContact CD1-CE2 3.96Å; L76-F159 HydrophobicContact CG-CD2 4.31Å; L76-F159 HydrophobicContact CG-CE2 4.31Å; V99-F159 HydrophobicContact CB-CZ 3.97Å; V99-F159 HydrophobicContact CG1-CZ 4.48Å; V99-F159 HydrophobicContact CG2-CE2 4.16Å; V99-F159 HydrophobicContact CG2-CZ 3.64Å; F101-F159 HydrophobicContact CE2-CD1 4.02Å; F101-F159 HydrophobicContact CE2-CD2 4.25Å; F101-F159 AromaticContact CE2-CE1 3.87Å; F101-F159 HydrophobicContact CE2-CE1 3.87Å; F101-F159 HydrophobicContact CE2-CE2 4.11Å; F101-F159 HydrophobicContact CE2-CG 4.2Å; F101-F159 AromaticContact CE2-CZ 3.91Å; F101-F159 HydrophobicContact CE2-CZ 3.91Å; F101-F159 HydrophobicContact CZ-CD1 4.37Å; F101-F159 AromaticContact CZ-CD2 3.85Å; F101-F159 HydrophobicContact CZ-CD2 3.85Å; F101-F159 HydrophobicContact CZ-CE1 4.43Å; F101-F159 AromaticContact CZ-CE2 3.9Å; F101-F159 HydrophobicContact CZ-CE2 3.9Å; F101-F159 HydrophobicContact CZ-CG 4.08Å; F101-F159 HydrophobicContact CZ-CZ 4.2Å; M130-F159 WeakPolarHBondContact O-CA 3.49Å; M130-F159 WeakPolarHBondContact O-CB 3.4Å; I137-F159 HydrophobicContact CD1-CD1 3.63Å; I137-F159 HydrophobicContact CD1-CE1 4.06Å; T143-F159 HydrophobicContact CG2-CE1 4.05Å; I146-F159 HydrophobicContact CD1-CE1 4.28Å; I146-F159 HydrophobicContact CD1-CZ 3.77Å; L157-F159 HydrophobicContact CB-CD2 4.45Å; L157-F159 HydrophobicContact CB-CE2 3.62Å; L157-F159 HydrophobicContact CB-CZ 4.19Å
160	F	98.6	Very high	95.7	Very high	50 Å²	50	56 Å²	56	22%	0.219	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.3	172.8	-67.9	-86.8	0	0	0	110.7	A71 V72 A73 M130 Q134	A71-F160 HydrophobicContact CB-CB 4.43Å; A71-F160 HydrophobicContact CB-CD1 4.14Å; V72-F160 CarbonylContact O-C 3.52Å; V72-F160 VanDerWaalsContact O-CA 3.28Å; V72-F160 WeakPolarHBondContact O-CA 3.3Å; A73-F160 HydrophobicContact CB-CD1 4.43Å; A73-F160 HydrophobicContact CB-CE1 4.18Å; M130-F160 HydrophobicContact CB-CB 4.24Å; M130-F160 HydrophobicContact CE-CB 3.87Å; M130-F160 PolarHBondContact N-O 2.83Å; M130-F160 PolarHBondContact O-N 3.46Å; Q134-F160 HydrophobicContact CG-CD2 4.06Å; Q134-F160 HydrophobicContact CG-CE2 4.46Å; Q134-F160 HydrophobicContact CG-CG 4.43Å
161	A	98.6	Very high	96.1	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.5	170	0	0	0	0	0	110.9	L55 V72 V74 V127 R128 L129	L55-A161 HydrophobicContact CD2-CB 3.93Å; V72-A161 PolarHBondContact N-O 3.34Å; V72-A161 PolarHBondContact O-N 2.8Å; V74-A161 HydrophobicContact CG2-CB 3.76Å; V127-A161 HydrophobicContact CG1-CB 4.26Å; R128-A161 WeakPolarHBondContact O-CA 3.48Å; L129-A161 HydrophobicContact CD2-CB 3.99Å
162	W	98.2	Very high	96.6	Very high	33 Å²	33	50.9 Å²	50.9	13%	0.125	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164.1	165.3	59.2	39	0	0	0	110.9	H68 S69 A71 V127 R128 M130 E164	H68-W162 HydrophobicContact CB-CD2 3.94Å; H68-W162 HydrophobicContact CB-CG 4.06Å; H68-W162 HydrophobicContact CB-CZ2 4.39Å; H68-W162 AromaticContact CE1-CE3 3.93Å; H68-W162 AromaticContact CE1-CH2 3.94Å; H68-W162 AromaticContact CE1-CZ3 3.6Å; H68-W162 AromaticContact CG-CD2 3.93Å; H68-W162 AromaticContact CG-CE2 3.88Å; H68-W162 AromaticContact ND1-CD2 3.75Å; H68-W162 AromaticContact ND1-CE3 3.44Å; H68-W162 AromaticContact ND1-CZ3 3.59Å; S69-W162 WeakPolarHBondContact OG-CB 3.26Å; A71-W162 HydrophobicContact CB-CE3 3.96Å; A71-W162 HydrophobicContact CB-CZ3 4.48Å; V127-W162 WeakPolarHBondContact CA-O 3.38Å; R128-W162 VanDerWaalsContact CB-CD1 3.47Å; R128-W162 PolarHBondContact N-O 3.11Å; R128-W162 PolarHBondContact O-N 3.08Å; M130-W162 HydrophobicContact CE-CB 4.34Å; M130-W162 HydrophobicContact CE-CD2 3.44Å; M130-W162 VanDerWaalsContact CE-CD2 3.44Å; M130-W162 HydrophobicContact CE-CE3 3.65Å; M130-W162 HydrophobicContact CE-CG 3.77Å; M130-W162 HydrophobicContact CE-CH2 4.41Å; M130-W162 HydrophobicContact CE-CZ2 4.27Å; M130-W162 HydrophobicContact CE-CZ3 4.13Å; M130-W162 HydrophobicContact SD-CD2 3.99Å; M130-W162 HydrophobicContact SD-CE3 4.09Å; M130-W162 HydrophobicContact SD-CH2 3.75Å; M130-W162 HydrophobicContact SD-CZ2 3.66Å; M130-W162 HydrophobicContact SD-CZ3 3.97Å; W162-E164 PolarHBondContact NE1-OE2 2.96Å
163	M	98.3	Very high	96.8	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.059	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.2	163.1	-67.6	175.8	-83.5	0	0	108.8	L55 V58 I63 H68 S69 V125 G126 V177	L55-M163 HydrophobicContact CB-CE 4.14Å; L55-M163 HydrophobicContact CB-CG 4.38Å; L55-M163 HydrophobicContact CD1-CG 3.9Å; V58-M163 HydrophobicContact CB-CE 4.01Å; V58-M163 HydrophobicContact CG1-CE 3.5Å; V58-M163 HydrophobicContact CG1-SD 3.91Å; I63-M163 HydrophobicContact CD1-CB 3.98Å; H68-M163 CarbonylContact C-O 3.44Å; H68-M163 WeakPolarHBondContact CA-O 3.25Å; H68-M163 WeakPolarHBondContact CB-O 3.35Å; S69-M163 PolarHBondContact N-O 2.84Å; S69-M163 PolarHBondContact OG-N 3.22Å; V125-M163 HydrophobicContact CG2-CB 3.93Å; G126-M163 CarbonylContact O-C 3.56Å; G126-M163 WeakPolarHBondContact O-CA 3.44Å; M163-V177 HydrophobicContact CG-CG1 4.32Å; M163-V177 HydrophobicContact SD-CB 4.21Å; M163-V177 HydrophobicContact SD-CG1 4.48Å; M163-V177 HydrophobicContact SD-CG2 3.98Å
164	E	98	Very high	96.9	Very high	33 Å²	33	53.2 Å²	53.2	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.8	-177.6	-170	174.3	109.8	0	0	110.5	H68 I113 V125 G126 R128 W162 I166	H68-E164 HydrophobicContact CB-CG 4.5Å; I113-E164 HydrophobicContact CD1-CB 4.45Å; V125-E164 CarbonylContact C-O 3.6Å; V125-E164 WeakPolarHBondContact CA-O 3.23Å; V125-E164 WeakPolarHBondContact CG2-O 3.3Å; G126-E164 PolarHBondContact N-O 2.82Å; G126-E164 PolarHBondContact O-N 2.97Å; R128-E164 HydrophobicContact CB-CB 4.17Å; R128-E164 WeakPolarHBondContact CB-OE2 3.36Å; R128-E164 WeakPolarHBondContact CG-OE2 3.45Å; R128-E164 IonicContact CZ-OE1 2.64Å; R128-E164 IonicContact NE-OE1 2.71Å; R128-E164 PolarHBondContact NE-OE1 2.8Å; R128-E164 VanDerWaalsContact NE-OE1 3.1Å; R128-E164 IonicContact NE-OE2 3.81Å; R128-E164 PolarHBondContact NE-OE2 3.36Å; R128-E164 VanDerWaalsContact NE-OE2 3.08Å; R128-E164 IonicContact NH2-OE1 3.46Å; R128-E164 PolarHBondContact NH2-OE1 3.41Å; W162-E164 PolarHBondContact NE1-OE2 2.96Å; E164-I166 PolarHBondContact O-N 2.92Å
165	Q	96.9	Very high	96.9	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122.5	172	-171.8	176.6	20.1	0	0	109.8	H67 G124 D167 T170 V172	H67-Q165 PolarHBondContact ND1-OE1 2.92Å; H67-Q165 WeakPolarHBondContact O-CB 3.39Å; H67-Q165 PolarHBondContact O-N 2.04Å; G124-Q165 WeakPolarHBondContact O-CA 3.3Å; Q165-D167 VanDerWaalsContact C-N 3.34Å; Q165-D167 WeakPolarHBondContact CG-O 3.29Å; Q165-D167 PolarHBondContact NE2-O 2.85Å; Q165-D167 PolarHBondContact O-N 2.9Å; Q165-T170 PolarHBondContact NE2-O 2.83Å; Q165-V172 HydrophobicContact CB-CG2 4.08Å; Q165-V172 HydrophobicContact CG-CG2 3.84Å
166	I	95.9	Very high	96.9	Very high	76 Å²	76	50.9 Å²	50.9	39%	0.39	31%	0.309	S	S	.	.	S	Bend	trans	-64.1	-41.6	-177.4	-67.2	162.3	0	0	0	111.1	T107 I113 G124 V125 E164	T107-I166 HydrophobicContact CG2-CD1 4.46Å; T107-I166 HydrophobicContact CG2-CG1 4.28Å; T107-I166 HydrophobicContact CG2-CG2 3.97Å; I113-I166 HydrophobicContact CD1-CB 4.42Å; I113-I166 HydrophobicContact CD1-CG1 3.71Å; I113-I166 HydrophobicContact CG1-CG1 4.39Å; G124-I166 PolarHBondContact O-N 2.74Å; V125-I166 WeakPolarHBondContact O-CD1 3.37Å; E164-I166 PolarHBondContact O-N 2.92Å
167	D	94.2	Very high	96.9	Very high	77 Å²	77	49.5 Å²	49.5	41%	0.412	30%	0.3	S	S	.	.			trans	-136.8	114.9	179.4	170.4	17.4	0	0	0	108.6	Q165 A169 T170	Q165-D167 VanDerWaalsContact C-N 3.34Å; Q165-D167 WeakPolarHBondContact CG-O 3.29Å; Q165-D167 PolarHBondContact NE2-O 2.85Å; Q165-D167 PolarHBondContact O-N 2.9Å; D167-A169 PolarHBondContact O-N 2.86Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 WeakPolarHBondContact OD1-CB 3.23Å; D167-A169 PolarHBondContact OD1-N 2.81Å; D167-T170 PolarHBondContact O-N 3.46Å; D167-T170 PolarHBondContact OD2-OG1 3.33Å
168	Q	92.6	Very high	96.9	Very high	132 Å²	132	52.3 Å²	52.3	62%	0.617	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.2	-178.4	-63.1	-174.8	18.4	0	0	113.3	H67 T170	H67-Q168 HydrophobicContact CB-CG 4.3Å; Q168-T170 VanDerWaalsContact C-N 3.34Å
169	A	93.9	Very high	96.9	Very high	84 Å²	84	51 Å²	51	69%	0.694	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.8	173.7	0	0	0	0	0	113.5	D167	D167-A169 PolarHBondContact O-N 2.86Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 WeakPolarHBondContact OD1-CB 3.23Å; D167-A169 PolarHBondContact OD1-N 2.81Å
170	T	94.3	Very high	96.8	Very high	69 Å²	69	55.9 Å²	55.9	42%	0.423	34%	0.341	S	S	.	.	S	Bend	trans	-113.5	108.1	-175.6	-60.2	0	0	0	0	110.1	Q165 D167 Q168 V172	Q165-T170 PolarHBondContact NE2-O 2.83Å; D167-T170 PolarHBondContact O-N 3.46Å; D167-T170 PolarHBondContact OD2-OG1 3.33Å; Q168-T170 VanDerWaalsContact C-N 3.34Å; T170-V172 PolarHBondContact O-N 2.97Å
171	P	96.2	Very high	96.8	Very high	87 Å²	87	55.6 Å²	55.6	57%	0.565	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-60.3	137	-178.6	-23.9	33.2	0	0	0	113.2	N64	N64-P171 VanDerWaalsContact OD1-CA 3.3Å; N64-P171 WeakPolarHBondContact OD1-CA 3.49Å
172	V	97.8	Very high	96.8	Very high	11 Å²	11	60 Å²	60	7%	0.067	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-63.4	134.1	169.3	-179.5	0	0	0	0	110.3	I63 N64 T123 V125 Q165 T170	I63-V172 HydrophobicContact CD1-CG2 4.34Å; I63-V172 HydrophobicContact CG1-CG2 4.39Å; I63-V172 HydrophobicContact CG2-CB 3.79Å; I63-V172 HydrophobicContact CG2-CG1 3.99Å; I63-V172 HydrophobicContact CG2-CG2 3.95Å; N64-V172 PolarHBondContact ND2-O 3.29Å; N64-V172 PolarHBondContact OD1-N 2.94Å; T123-V172 VanDerWaalsContact O-CA 3.27Å; T123-V172 WeakPolarHBondContact O-CA 3Å; V125-V172 HydrophobicContact CB-CG1 3.8Å; V125-V172 HydrophobicContact CB-CG2 4.03Å; V125-V172 HydrophobicContact CG1-CG1 3.99Å; Q165-V172 HydrophobicContact CB-CG2 4.08Å; Q165-V172 HydrophobicContact CG-CG2 3.84Å; T170-V172 PolarHBondContact O-N 2.97Å
173	T	97.5	Very high	96.7	Very high	57 Å²	57	60.8 Å²	60.8	35%	0.35	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-99.9	157.8	174.7	64.5	0	0	0	0	111.9	A122 T123	A122-T173 WeakPolarHBondContact CA-O 3.01Å; A122-T173 WeakPolarHBondContact CB-O 3.29Å; T123-T173 WeakPolarHBondContact CB-OG1 3.37Å; T123-T173 PolarHBondContact N-OG1 2.71Å; T123-T173 PolarHBondContact O-N 2.8Å; T123-T173 VanDerWaalsContact O-N 3.11Å; T123-T173 VanDerWaalsContact OG1-CG2 3.29Å; T123-T173 WeakPolarHBondContact OG1-CG2 3.3Å; T123-T173 PolarHBondContact OG1-OG1 2.72Å
174	P	97.5	Very high	96.7	Very high	106 Å²	106	64.6 Å²	64.6	69%	0.688	40%	0.402	S	S	*	.	S	Bend	trans	-66.3	143	176.8	-16	29.4	0	0	0	112.3	T60	T60-P174 HydrophobicContact CG2-CB 4.29Å; T60-P174 HydrophobicContact CG2-CG 3.75Å
175	G	97.2	Very high	96.6	Very high	46 Å²	46	64.7 Å²	64.7	47%	0.474	40%	0.403	S	S	.	.	S	Bend	trans	162.2	-178.7	174.2	0	0	0	0	0	111.4
176	A	97.3	Very high	96.6	Very high	51 Å²	51	68 Å²	68	42%	0.421	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-75.7	153.5	176.6	0	0	0	0	0	111.3	N116 S118 A122	N116-A176 PolarHBondContact ND2-O 3.24Å; S118-A176 WeakPolarHBondContact CB-O 3.45Å; S118-A176 WeakPolarHBondContact OG-CB 3.35Å; A122-A176 PolarHBondContact N-O 3.26Å
177	V	97.6	Very high	96.6	Very high	41 Å²	41	65.6 Å²	65.6	25%	0.248	41%	0.407	C	S	.	.			trans	-123.3	123.2	172.5	-179.6	0	0	0	0	109.1	N116 A122 V125 V127 M163	N116-V177 VanDerWaalsContact OD1-CA 3.31Å; N116-V177 WeakPolarHBondContact OD1-CA 3.48Å; A122-V177 HydrophobicContact CB-CG2 4.03Å; V125-V177 HydrophobicContact CG1-CG2 3.79Å; V127-V177 HydrophobicContact CG2-CG1 3.95Å; M163-V177 HydrophobicContact CG-CG1 4.32Å; M163-V177 HydrophobicContact SD-CB 4.21Å; M163-V177 HydrophobicContact SD-CG1 4.48Å; M163-V177 HydrophobicContact SD-CG2 3.98Å
178	T	97.4	Very high	96.5	Very high	63 Å²	63	66 Å²	66	39%	0.387	41%	0.405	S	S	.	.			trans	-134.6	135.2	169.5	-54.5	0	0	0	0	107.8	N116 T117 S118	N116-T178 CarbonylContact C-O 3.58Å; N116-T178 WeakPolarHBondContact CA-O 3.47Å; N116-T178 PolarHBondContact OD1-N 3.45Å; N116-T178 PolarHBondContact OD1-O 2.63Å; T117-T178 PolarHBondContact N-O 2.84Å; T117-T178 PolarHBondContact OG1-O 2.9Å; S118-T178 WeakPolarHBondContact OG-CB 3.2Å; S118-T178 PolarHBondContact OG-N 3.18Å; S118-T178 PolarHBondContact OG-OG1 3.29Å
179	A	97.7	Very high	96.7	Very high	29 Å²	29	62.7 Å²	62.7	24%	0.24	39%	0.394	C	S	.	.			trans	-142	143.4	175.9	0	0	0	0	0	108.6	L114 V127	L114-A179 HydrophobicContact CB-CB 3.78Å; L114-A179 HydrophobicContact CD1-CB 4.19Å; V127-A179 HydrophobicContact CB-CB 3.88Å; V127-A179 HydrophobicContact CG2-CB 3.61Å
180	N	97.4	Very high	96.8	Very high	103 Å²	103	61.5 Å²	61.5	55%	0.551	38%	0.379	S	S	*	.			trans	-125	135.6	-177.9	-62.3	-74.9	0	0	0	109.5	S103	S103-N180 WeakPolarHBondContact CB-O 3.37Å; S103-N180 PolarHBondContact OG-O 2.7Å
181	A	97.9	Very high	97	Very high	43 Å²	43	61.1 Å²	61.1	36%	0.355	38%	0.376	S	S	.	.			trans	-135.3	147.1	171.2	0	0	0	0	0	109.7	D102 L114 L129	D102-A181 CarbonylContact O-C 3.5Å; D102-A181 WeakPolarHBondContact O-CA 3.15Å; L114-A181 HydrophobicContact CD1-CB 3.94Å; L114-A181 HydrophobicContact CD2-CB 3.92Å; L129-A181 HydrophobicContact CD1-CB 4.34Å
182	T	98.1	Very high	97	Very high	98 Å²	98	59.6 Å²	59.6	60%	0.601	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	154.7	163.7	57.9	0	0	0	0	108.9	F101 D102	F101-T182 CarbonylContact C-O 3.44Å; F101-T182 VanDerWaalsContact CA-O 3.3Å; F101-T182 WeakPolarHBondContact CA-O 3.49Å; D102-T182 PolarHBondContact N-O 2.99Å; D102-T182 PolarHBondContact O-N 3Å; D102-T182 PolarHBondContact O-OG1 2.95Å
183	Y	97.9	Very high	97	Very high	49 Å²	49	62.6 Å²	62.6	19%	0.192	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.7	170.9	66.7	-90.7	0	0	0	111	I44 D48 L76 T100 F101	I44-Y183 HydrophobicContact CD1-CE2 3.82Å; I44-Y183 WeakPolarHBondContact CG2-OH 3.32Å; D48-Y183 PolarHBondContact O-OH 3.04Å; L76-Y183 HydrophobicContact CD1-CD2 3.94Å; L76-Y183 HydrophobicContact CD1-CE2 4.06Å; L76-Y183 HydrophobicContact CD1-CG 4.2Å; L76-Y183 HydrophobicContact CD2-CE1 4.25Å; T100-Y183 CarbonylContact O-C 3.54Å; T100-Y183 VanDerWaalsContact O-CA 3.23Å; T100-Y183 WeakPolarHBondContact O-CA 2.97Å; F101-Y183 HydrophobicContact CE1-CG 4.31Å
184	V	97.2	Very high	96.9	Very high	92 Å²	92	63 Å²	63	56%	0.558	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.4	177.2	-179.2	0	0	0	0	108.7	V99 T100	V99-V184 CarbonylContact C-O 3.58Å; V99-V184 WeakPolarHBondContact CA-O 3.36Å; T100-V184 PolarHBondContact N-O 2.97Å; T100-V184 PolarHBondContact O-N 3.01Å
185	L	97.3	Very high	96.9	Very high	34 Å²	34	59.9 Å²	59.9	18%	0.178	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.8	176.5	-59.2	175.5	0	0	0	109.9	I44 L78 V97 V99 L157 Y187	I44-L185 HydrophobicContact CD1-CD1 3.92Å; I44-L185 HydrophobicContact CG1-CD1 3.85Å; L78-L185 HydrophobicContact CD2-CD1 3.63Å; V97-L185 HydrophobicContact CG2-CB 4.04Å; V97-L185 HydrophobicContact CG2-CD2 4.08Å; V99-L185 HydrophobicContact CB-CD2 4.43Å; V99-L185 HydrophobicContact CG1-CD2 4.21Å; V99-L185 HydrophobicContact CG2-CD2 3.65Å; L157-L185 HydrophobicContact CD1-CD2 3.94Å; L185-Y187 HydrophobicContact CB-CD2 4.49Å; L185-Y187 HydrophobicContact CB-CE2 3.92Å; L185-Y187 HydrophobicContact CD1-CE2 4.34Å; L185-Y187 WeakPolarHBondContact CD1-OH 3.39Å
186	D	95.9	Very high	96.9	Very high	80 Å²	80	61 Å²	61	43%	0.428	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	105.8	174.5	177.4	40.8	0	0	0	109.6	V97 A98 K188	V97-D186 CarbonylContact C-O 3.53Å; V97-D186 VanDerWaalsContact CA-O 3.3Å; V97-D186 WeakPolarHBondContact CA-O 3.49Å; A98-D186 PolarHBondContact N-O 3.03Å; A98-D186 PolarHBondContact O-N 3.05Å; D186-K188 WeakPolarHBondContact OD2-CE 3.09Å; D186-K188 IonicContact OD2-NZ 3.75Å
187	Y	95.5	Very high	96.8	Very high	26 Å²	26	61.8 Å²	61.8	10%	0.102	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.8	-175.9	-67.2	-82.4	0	0	0	111.9	A40 P41 L78 N88 I94 K96 V97 L148 L185	A40-Y187 HydrophobicContact CB-CE2 4.39Å; P41-Y187 VanDerWaalsContact CD-CD2 3.45Å; P41-Y187 HydrophobicContact CG-CD1 3.36Å; P41-Y187 HydrophobicContact CG-CD2 3.51Å; P41-Y187 HydrophobicContact CG-CE1 3.6Å; P41-Y187 HydrophobicContact CG-CE2 3.73Å; P41-Y187 HydrophobicContact CG-CG 3.3Å; L78-Y187 HydrophobicContact CD1-CE1 4.18Å; N88-Y187 PolarHBondContact ND2-O 3.36Å; I94-Y187 HydrophobicContact CG2-CD1 4.08Å; I94-Y187 HydrophobicContact CG2-CG 4.45Å; K96-Y187 WeakPolarHBondContact O-CA 3.41Å; V97-Y187 HydrophobicContact CB-CD1 3.91Å; V97-Y187 HydrophobicContact CB-CE1 4.11Å; V97-Y187 HydrophobicContact CG2-CD1 3.84Å; V97-Y187 HydrophobicContact CG2-CE1 3.88Å; V97-Y187 HydrophobicContact CG2-CG 4.29Å; L148-Y187 HydrophobicContact CD1-CD1 3.96Å; L148-Y187 HydrophobicContact CD1-CE1 4.1Å; L185-Y187 HydrophobicContact CB-CD2 4.49Å; L185-Y187 HydrophobicContact CB-CE2 3.92Å; L185-Y187 HydrophobicContact CD1-CE2 4.34Å; L185-Y187 WeakPolarHBondContact CD1-OH 3.39Å
188	K	92.5	Very high	96.8	Very high	84 Å²	84	63.7 Å²	63.7	37%	0.365	36%	0.36	S	S	.	.			trans	-125	0	-171.6	-63.6	-178.5	-169	169.9	0	113	N88 I94 S95 K96 D145 D186	N88-K188 VanDerWaalsContact ND2-CA 3.28Å; N88-K188 WeakPolarHBondContact ND2-CA 3.49Å; N88-K188 PolarHBondContact ND2-OXT 3.13Å; I94-K188 WeakPolarHBondContact CA-O 3.28Å; S95-K188 PolarHBondContact N-O 3.18Å; K96-K188 HydrophobicContact CB-CB 4.07Å; K96-K188 PolarHBondContact N-O 2.98Å; K96-K188 PolarHBondContact O-N 3.43Å; D145-K188 IonicContact OD1-NZ 2.74Å; D145-K188 PolarHBondContact OD1-NZ 3.37Å; D186-K188 WeakPolarHBondContact OD2-CE 3.09Å; D186-K188 IonicContact OD2-NZ 3.75Å

Retrieved 188 of 188 residues in 400.9 ms (Link to these results)

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