A0A077Z2L5_TRITR Loading...

Iron-sulfur cluster assembly 2 homolog, mitochondrial

Involved in the maturation of mitochondrial 4Fe-4S proteins functioning late in the iron-sulfur cluster assembly pathway. May be involved in the binding of an intermediate of Fe/S cluster assembly.

AlphaFold DB , UniProt , Accession A0A077Z2L5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 aa.

						>A0A077Z2L5_TRITR|A0A077Z2L5
MNFFLRRSLGTVLNRMGGTVAQATLNLTDKCAERLRRIAGANELLRITVDSGGCSGYEYKFDIVSDVDSQDDVVFERNGARVVVDKMSMQFLNGATVDYREELIRSAFRIETNPVAKQGCSCGASFSVKEDSL
					

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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	43.8	Very low	48.8	Very low	226 Å²	226	155.5 Å²	155.5	100%	1.113	79%	0.793	S	S	*	*				0	124.3	0	-90.8	100.4	84.9	0	0	109.2
2	N	43	Very low	49.5	Very low	145 Å²	145	154 Å²	154	78%	0.775	80%	0.796	S	S	*	*			trans	47.1	135.4	141.5	-57.1	-1.2	0	0	0	118.8
3	F	47	Very low	49.6	Very low	169 Å²	169	151.7 Å²	151.7	74%	0.741	78%	0.784	S	S	*	*			cis	-171.8	125.4	8.6	-138.5	-112.1	0	0	0	103.7
4	F	52.9	Low	49.5	Very low	169 Å²	169	152.1 Å²	152.1	74%	0.741	79%	0.789	S	S	*	*				39.6	121.2	97.6	-99.8	-101.2	0	0	0	112.8
5	L	54.5	Low	49.8	Very low	135 Å²	135	156.7 Å²	156.7	71%	0.707	79%	0.792	S	S	*	*			cis	-156.1	130.7	39.8	-91.5	97.9	0	0	0	109.2
6	R	51.2	Low	49.5	Very low	194 Å²	194	158.6 Å²	158.6	73%	0.732	80%	0.8	S	S	*	*				66.8	107.3	89.9	-92.9	-167.7	175.6	-140.4	1.7	116.5
7	R	50.5	Low	48.8	Very low	207 Å²	207	153.8 Å²	153.8	78%	0.781	80%	0.799	S	S	*	*				59.7	114	124.1	-68.2	-177.2	173.8	-128.7	-1.2	118.1
8	S	52.2	Low	48.1	Very low	123 Å²	123	149.1 Å²	149.1	86%	0.86	80%	0.795	S	S	*	*				-153.3	119.3	111	-159.1	0	0	0	0	110.8
9	L	50.6	Low	47.3	Very low	153 Å²	153	149.4 Å²	149.4	80%	0.801	80%	0.803	S	S	*	*			trans	-74.6	113.5	166.5	-84.4	132.4	0	0	0	107.6
10	G	46.1	Very low	47.2	Very low	72 Å²	72	146.4 Å²	146.4	74%	0.742	79%	0.79	S	S	*	*			trans	-110.8	81.5	167.3	0	0	0	0	0	109.8	V12	G10-V12 PolarHBondContact O-N 2.61Å
11	T	45.3	Very low	47.2	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	79%	0.791	S	S	*	*			trans	-67.3	116	164.9	-54.4	0	0	0	0	108
12	V	56.3	Low	47.9	Very low	137 Å²	137	141.4 Å²	141.4	83%	0.83	78%	0.776	S	S	*	*			trans	-124.6	124.2	163.2	-179.1	0	0	0	0	108.7	G10	G10-V12 PolarHBondContact O-N 2.61Å
13	L	51.5	Low	49.4	Very low	124 Å²	124	136.1 Å²	136.1	65%	0.649	75%	0.752	S	S	*	*			trans	-52.4	129.7	-169.3	-86.6	73.7	0	0	0	114	R15	L13-R15 HydrophobicContact CD2-CG 4.29Å
14	N	48.5	Very low	51.1	Low	158 Å²	158	131.5 Å²	131.5	85%	0.845	74%	0.738	S	S	*	*			trans	-79.1	115.5	150.9	-149.5	-68.2	0	0	0	107.2
15	R	53	Low	52.9	Low	220 Å²	220	124.2 Å²	124.2	83%	0.83	71%	0.707	S	S	*	*			trans	-122.5	116.8	165.6	-93.7	-173.1	173.3	-172.5	-1.1	108.9	L13	L13-R15 HydrophobicContact CD2-CG 4.29Å
16	M	46.2	Very low	54.6	Low	188 Å²	188	120.9 Å²	120.9	93%	0.926	69%	0.689	S	S	*	*			trans	-48.4	129.9	177.7	-63.7	165.6	174.8	0	0	112.4
17	G	37.1	Very low	56.5	Low	76 Å²	76	111.8 Å²	111.8	78%	0.784	66%	0.656	S	S	*	*			trans	-161.5	102.1	167.2	0	0	0	0	0	110.6
18	G	36.4	Very low	58.5	Low	70 Å²	70	103.1 Å²	103.1	72%	0.722	63%	0.625	S	S	*	*			trans	81.1	112.8	156.9	0	0	0	0	0	116.9	V20	G18-V20 PolarHBondContact O-N 3Å
19	T	31.9	Very low	60.4	Low	154 Å²	154	102.1 Å²	102.1	95%	0.945	61%	0.61	S	S	*	*			trans	-59	96	170.6	37.2	0	0	0	0	113.2
20	V	45.5	Very low	62.3	Low	90 Å²	90	101.5 Å²	101.5	55%	0.545	60%	0.601	S	S	.	*			trans	-131	121.7	141.3	-110.8	0	0	0	0	105.5	G18 Q22	G18-V20 PolarHBondContact O-N 3Å; V20-Q22 PolarHBondContact O-N 3.13Å
21	A	47.1	Very low	64.4	Low	100 Å²	100	98.1 Å²	98.1	83%	0.826	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	105.1	-176.9	0	0	0	0	0	110.9	A23	A21-A23 PolarHBondContact O-N 3.19Å
22	Q	59.3	Low	66.6	Low	168 Å²	168	92.6 Å²	92.6	79%	0.785	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	30.8	151.8	-54.9	-171.9	-31.5	0	0	119.1	V20 T24 N93	V20-Q22 PolarHBondContact O-N 3.13Å; Q22-T24 PolarHBondContact O-N 2.8Å; Q22-N93 PolarHBondContact O-OD1 3.35Å
23	A	73.5	Confident	68.3	Low	34 Å²	34	90.8 Å²	90.8	28%	0.281	52%	0.515	S	S	.	.			trans	-78.4	114.4	168.9	0	0	0	0	0	109.8	A21 M89 N93	A21-A23 PolarHBondContact O-N 3.19Å; A23-M89 HydrophobicContact CB-CE 3.37Å; A23-N93 WeakPolarHBondContact CA-OD1 3.29Å
24	T	84.3	Confident	70.2	Confident	72 Å²	72	88.3 Å²	88.3	44%	0.442	50%	0.497	S	S	.	.			trans	-111	136.7	-176.3	-54.7	0	0	0	0	110.4	Q22 N93 G94	Q22-T24 PolarHBondContact O-N 2.8Å; T24-N93 PolarHBondContact N-OD1 2.87Å; T24-G94 WeakPolarHBondContact O-CA 3.27Å; T24-G94 PolarHBondContact O-N 3Å
25	L	89.2	Confident	72.1	Confident	16 Å²	16	80.9 Å²	80.9	8%	0.084	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.1	171.9	-167.4	104.8	0	0	0	109.4	L27 I47 F75 V82 V84 L92 V97	L25-L27 HydrophobicContact CD2-CG 4.3Å; L25-I47 HydrophobicContact CD2-CD1 4.48Å; L25-F75 HydrophobicContact CB-CD1 4.04Å; L25-F75 HydrophobicContact CB-CD2 4.08Å; L25-F75 HydrophobicContact CB-CE1 4.08Å; L25-F75 HydrophobicContact CB-CE2 4.13Å; L25-F75 HydrophobicContact CB-CG 4.04Å; L25-F75 HydrophobicContact CB-CZ 4.13Å; L25-F75 HydrophobicContact CD2-CD2 4.22Å; L25-F75 HydrophobicContact CD2-CG 4.37Å; L25-V82 HydrophobicContact CD2-CB 4.45Å; L25-V82 HydrophobicContact CD2-CG1 3.96Å; L25-V84 HydrophobicContact CD1-CG2 4.44Å; L25-L92 HydrophobicContact CD1-CB 4.07Å; L25-V97 HydrophobicContact CD1-CG2 4.11Å; L25-V97 HydrophobicContact CD2-CG2 3.83Å; L25-V97 HydrophobicContact CG-CG2 4.05Å
26	N	90.9	Very high	73.8	Confident	64 Å²	64	78 Å²	78	34%	0.342	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.6	178	-64.6	-70.4	0	0	0	110.1	A95 T96 V97	N26-A95 PolarHBondContact N-O 2.83Å; N26-T96 HydrophobicContact CB-CG2 4.2Å; N26-T96 CarbonylContact O-C 3.52Å; N26-T96 WeakPolarHBondContact O-CA 3.18Å; N26-V97 PolarHBondContact O-N 2.78Å
27	L	91.2	Very high	75.8	Confident	4 Å²	4	76.3 Å²	76.3	2%	0.021	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.6	-178.7	-75.4	153.1	0	0	0	108.5	L25 R77 V82 V97	L25-L27 HydrophobicContact CD2-CG 4.3Å; L27-R77 HydrophobicContact CB-CB 4.28Å; L27-R77 HydrophobicContact CD1-CB 3.76Å; L27-R77 VanDerWaalsContact O-CD 3.27Å; L27-R77 WeakPolarHBondContact O-CD 3.29Å; L27-R77 PolarHBondContact O-NE 3.16Å; L27-R77 VanDerWaalsContact O-NE 3.13Å; L27-R77 PolarHBondContact O-NH1 2.88Å; L27-R77 PolarHBondContact O-NH2 2.86Å; L27-V82 HydrophobicContact CD1-CB 4.44Å; L27-V82 HydrophobicContact CD1-CG2 3.83Å; L27-V82 HydrophobicContact CD2-CG2 3.51Å; L27-V82 HydrophobicContact CG-CG2 4.28Å; L27-V97 HydrophobicContact CD2-CB 3.87Å; L27-V97 HydrophobicContact CD2-CG1 4.34Å; L27-V97 HydrophobicContact CD2-CG2 4.3Å
28	T	91.9	Very high	78.3	Confident	24 Å²	24	75.9 Å²	75.9	15%	0.147	41%	0.409	C	S	.	.			trans	-69.2	156.3	174.8	70	0	0	0	0	110.9	K30 C31 A32 T96 V97 D98	T28-K30 PolarHBondContact O-N 3.4Å; T28-C31 WeakPolarHBondContact O-CB 3.31Å; T28-C31 PolarHBondContact O-N 2.84Å; T28-C31 VanDerWaalsContact O-N 3.09Å; T28-C31 PolarHBondContact OG1-N 3.19Å; T28-A32 PolarHBondContact O-N 3.17Å; T28-T96 HydrophobicContact CG2-CG2 3.81Å; T28-V97 PolarHBondContact N-O 3Å; T28-D98 WeakPolarHBondContact CB-OD1 3.29Å; T28-D98 HydrophobicContact CG2-CB 3.73Å; T28-D98 VanDerWaalsContact CG2-OD1 3.29Å; T28-D98 WeakPolarHBondContact CG2-OD1 3.46Å; T28-D98 WeakPolarHBondContact OG1-CA 3.43Å; T28-D98 PolarHBondContact OG1-OD1 2.97Å
29	D	91.6	Very high	80.6	Confident	102 Å²	102	73.4 Å²	73.4	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-59.5	-33	176.3	-66.1	-80.3	0	0	0	112	A32 E33 R77 N78	D29-A32 PolarHBondContact O-N 3.38Å; D29-E33 VanDerWaalsContact O-CB 3.26Å; D29-E33 WeakPolarHBondContact O-CB 3.45Å; D29-E33 PolarHBondContact O-N 2.97Å; D29-R77 IonicContact OD2-NH2 3.51Å; D29-N78 PolarHBondContact OD1-ND2 2.7Å
30	K	91.6	Very high	83.1	Confident	141 Å²	141	68 Å²	68	61%	0.613	36%	0.356	S	S	*	.	H	α-helix	trans	-63.7	-45.3	173.2	-67.7	-175.1	179.2	-177.8	0	112.2	T28 R34	T28-K30 PolarHBondContact O-N 3.4Å; K30-R34 VanDerWaalsContact O-CB 3.29Å; K30-R34 WeakPolarHBondContact O-CB 3.46Å; K30-R34 PolarHBondContact O-N 3.22Å
31	C	91	Very high	84.8	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-47.2	175.9	-175.1	0	0	0	0	111	T28 R34 L35	T28-C31 WeakPolarHBondContact O-CB 3.31Å; T28-C31 PolarHBondContact O-N 2.84Å; T28-C31 VanDerWaalsContact O-N 3.09Å; T28-C31 PolarHBondContact OG1-N 3.19Å; C31-R34 PolarHBondContact O-N 2.99Å; C31-L35 VanDerWaalsContact O-CB 3.29Å; C31-L35 WeakPolarHBondContact O-CB 3.38Å; C31-L35 PolarHBondContact O-N 2.76Å
32	A	91.3	Very high	86.5	Confident	2 Å²	2	69.1 Å²	69.1	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-44.8	180	0	0	0	0	0	112.5	T28 D29 L35 R36 N78 A80	T28-A32 PolarHBondContact O-N 3.17Å; D29-A32 PolarHBondContact O-N 3.38Å; A32-L35 PolarHBondContact O-N 3.13Å; A32-R36 WeakPolarHBondContact O-CG 3.42Å; A32-R36 PolarHBondContact O-N 2.87Å; A32-R36 VanDerWaalsContact O-N 3.08Å; A32-N78 HydrophobicContact CB-CB 4.33Å; A32-A80 HydrophobicContact CB-CB 3.82Å
33	E	91.5	Very high	88	Confident	100 Å²	100	64.8 Å²	64.8	47%	0.467	34%	0.338	S	S	.	.	H	α-helix	trans	-59.5	-47.8	175.7	-179.1	-177.5	103.2	0	0	110.8	D29 R36 R37	D29-E33 VanDerWaalsContact O-CB 3.26Å; D29-E33 WeakPolarHBondContact O-CB 3.45Å; D29-E33 PolarHBondContact O-N 2.97Å; E33-R36 PolarHBondContact O-N 3.14Å; E33-R37 PolarHBondContact O-N 2.78Å; E33-R37 IonicContact OE1-CZ 3.07Å; E33-R37 IonicContact OE1-NH1 3.95Å; E33-R37 PolarHBondContact OE1-NH1 2.93Å; E33-R37 IonicContact OE1-NH2 2.83Å; E33-R37 PolarHBondContact OE1-NH2 3.3Å; E33-R37 IonicContact OE2-NH2 2.77Å
34	R	90.7	Very high	88.8	Confident	72 Å²	72	63.7 Å²	63.7	27%	0.272	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-46.5	-179.6	-176.6	67.8	175	163.9	2.7	111.2	K30 C31 R36 R37 I38 Y99 F108	K30-R34 VanDerWaalsContact O-CB 3.29Å; K30-R34 WeakPolarHBondContact O-CB 3.46Å; K30-R34 PolarHBondContact O-N 3.22Å; C31-R34 PolarHBondContact O-N 2.99Å; R34-R36 PolarHBondContact O-N 3.38Å; R34-R37 WeakPolarHBondContact O-CA 3.08Å; R34-R37 WeakPolarHBondContact O-CB 3.45Å; R34-R37 PolarHBondContact O-N 3.06Å; R34-I38 HydrophobicContact CG-CG2 4.35Å; R34-I38 PolarHBondContact O-N 3.29Å; R34-Y99 HydrophobicContact CB-CD1 3.57Å; R34-Y99 HydrophobicContact CB-CD2 4.41Å; R34-Y99 HydrophobicContact CB-CE1 3.8Å; R34-Y99 HydrophobicContact CB-CG 3.89Å; R34-Y99 HydrophobicContact CG-CD1 3.58Å; R34-Y99 HydrophobicContact CG-CD2 3.99Å; R34-Y99 HydrophobicContact CG-CE1 3.29Å; R34-Y99 HydrophobicContact CG-CE2 3.77Å; R34-Y99 HydrophobicContact CG-CG 3.9Å; R34-Y99 VanDerWaalsContact CG-CZ 3.42Å; R34-Y99 PolarHBondContact NE-OH 3.42Å; R34-F108 HydrophobicContact CG-CZ 4.28Å
35	L	89.9	Confident	89.2	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-40.8	-178	-170.7	57.5	0	0	0	110.6	C31 A32 R37 I38 A39 L45 I63 A80 R81 V82 F108	C31-L35 VanDerWaalsContact O-CB 3.29Å; C31-L35 WeakPolarHBondContact O-CB 3.38Å; C31-L35 PolarHBondContact O-N 2.76Å; A32-L35 PolarHBondContact O-N 3.13Å; L35-R37 PolarHBondContact O-N 3.45Å; L35-I38 HydrophobicContact CD1-CD1 4.39Å; L35-I38 HydrophobicContact CD1-CG1 4.22Å; L35-I38 PolarHBondContact O-N 3.46Å; L35-A39 HydrophobicContact CD1-CB 3.85Å; L35-A39 HydrophobicContact CG-CB 4.19Å; L35-A39 WeakPolarHBondContact O-CA 3.49Å; L35-A39 WeakPolarHBondContact O-CB 3.17Å; L35-A39 PolarHBondContact O-N 2.86Å; L35-L45 HydrophobicContact CD1-CB 3.75Å; L35-L45 HydrophobicContact CD2-CB 3.6Å; L35-L45 HydrophobicContact CD2-CD2 4.49Å; L35-L45 HydrophobicContact CG-CB 4.37Å; L35-I63 HydrophobicContact CD1-CD1 3.59Å; L35-A80 HydrophobicContact CB-CB 4.05Å; L35-A80 HydrophobicContact CD2-CB 3.98Å; L35-A80 HydrophobicContact CG-CB 4.35Å; L35-R81 VanDerWaalsContact CD2-O 3.23Å; L35-R81 WeakPolarHBondContact CD2-O 3.33Å; L35-V82 HydrophobicContact CD2-CG2 3.88Å; L35-F108 HydrophobicContact CD1-CZ 4.27Å
36	R	88.7	Confident	89.4	Confident	160 Å²	160	61.8 Å²	61.8	60%	0.604	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-23.9	173.9	-74.9	178.8	61.4	171.9	-3.9	115.1	A32 E33 R34 N78 A80	A32-R36 WeakPolarHBondContact O-CG 3.42Å; A32-R36 PolarHBondContact O-N 2.87Å; A32-R36 VanDerWaalsContact O-N 3.08Å; E33-R36 PolarHBondContact O-N 3.14Å; R34-R36 PolarHBondContact O-N 3.38Å; R36-N78 WeakPolarHBondContact CD-O 3.27Å; R36-N78 PolarHBondContact NH1-O 2.96Å; R36-A80 HydrophobicContact CG-CB 4.32Å
37	R	88	Confident	89.5	Confident	152 Å²	152	58.7 Å²	58.7	57%	0.574	29%	0.294	S	S	*	.	H	α-helix	trans	-84.1	-32.8	177.1	-72	-177.3	179	141.8	10.8	112.4	E33 R34 L35	E33-R37 PolarHBondContact O-N 2.78Å; E33-R37 IonicContact OE1-CZ 3.07Å; E33-R37 IonicContact OE1-NH1 3.95Å; E33-R37 PolarHBondContact OE1-NH1 2.93Å; E33-R37 IonicContact OE1-NH2 2.83Å; E33-R37 PolarHBondContact OE1-NH2 3.3Å; E33-R37 IonicContact OE2-NH2 2.77Å; R34-R37 WeakPolarHBondContact O-CA 3.08Å; R34-R37 WeakPolarHBondContact O-CB 3.45Å; R34-R37 PolarHBondContact O-N 3.06Å; L35-R37 PolarHBondContact O-N 3.45Å
38	I	88.1	Confident	89.4	Confident	66 Å²	66	60.3 Å²	60.3	34%	0.338	30%	0.304	S	S	.	.	H	α-helix	trans	-99.9	-29.1	-174.7	69.3	172.8	0	0	0	113.4	R34 L35 I63 F108	R34-I38 HydrophobicContact CG-CG2 4.35Å; R34-I38 PolarHBondContact O-N 3.29Å; L35-I38 HydrophobicContact CD1-CD1 4.39Å; L35-I38 HydrophobicContact CD1-CG1 4.22Å; L35-I38 PolarHBondContact O-N 3.46Å; I38-I63 HydrophobicContact CD1-CD1 4.15Å; I38-I63 HydrophobicContact CD1-CG1 4.49Å; I38-F108 HydrophobicContact CD1-CE2 3.57Å; I38-F108 HydrophobicContact CD1-CZ 3.55Å
39	A	86.3	Confident	89.2	Confident	18 Å²	18	59.9 Å²	59.9	15%	0.149	30%	0.302	C	S	.	.	S	Bend	trans	-93.1	130.7	179.6	0	0	0	0	0	109.8	L35 E43	L35-A39 HydrophobicContact CD1-CB 3.85Å; L35-A39 HydrophobicContact CG-CB 4.19Å; L35-A39 WeakPolarHBondContact O-CA 3.49Å; L35-A39 WeakPolarHBondContact O-CB 3.17Å; L35-A39 PolarHBondContact O-N 2.86Å; A39-E43 HydrophobicContact CB-CB 3.84Å
40	G	83.3	Confident	89	Confident	40 Å²	40	58 Å²	58	41%	0.412	29%	0.292	S	S	.	.			trans	-69.5	177.2	170	0	0	0	0	0	112.8	N42 E43	G40-N42 PolarHBondContact O-N 2.86Å; G40-E43 PolarHBondContact N-OE2 2.72Å; G40-E43 PolarHBondContact O-N 2.6Å; G40-E43 VanDerWaalsContact O-N 3.07Å
41	A	80.5	Confident	88.4	Confident	92 Å²	92	55.9 Å²	55.9	76%	0.76	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.8	-174.3	0	0	0	0	0	114.5	R81	A41-R81 PolarHBondContact O-NH2 2.8Å
42	N	83.5	Confident	87.5	Confident	122 Å²	122	57 Å²	57	65%	0.652	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	10.1	-178.9	-68.9	-30.4	0	0	0	113.5	G40 S65 R81	G40-N42 PolarHBondContact O-N 2.86Å; N42-S65 WeakPolarHBondContact O-CA 3.11Å; N42-R81 VanDerWaalsContact C-NH2 3.27Å
43	E	90.7	Very high	86.3	Confident	77 Å²	77	59.2 Å²	59.2	36%	0.36	33%	0.329	S	S	.	.			trans	-99	152.1	-180	-68.9	180	131.3	0	0	110.8	A39 G40 I63 V64 R81	A39-E43 HydrophobicContact CB-CB 3.84Å; G40-E43 PolarHBondContact N-OE2 2.72Å; G40-E43 PolarHBondContact O-N 2.6Å; G40-E43 VanDerWaalsContact O-N 3.07Å; E43-I63 HydrophobicContact CB-CG2 3.71Å; E43-I63 HydrophobicContact CG-CG2 4.05Å; E43-V64 CarbonylContact C-O 3.11Å; E43-V64 WeakPolarHBondContact CA-O 3.41Å; E43-R81 PolarHBondContact O-NH2 3.25Å
44	L	91.5	Very high	84.9	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.058	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.4	-179.7	-45.8	91.5	0	0	0	109.1	R46 I63 V64 V67 V74 R81 V83	L44-R46 PolarHBondContact O-N 3.37Å; L44-I63 WeakPolarHBondContact O-CA 3.49Å; L44-V64 WeakPolarHBondContact CD1-O 3.42Å; L44-V64 PolarHBondContact N-O 3.41Å; L44-V64 PolarHBondContact O-N 2.74Å; L44-V67 HydrophobicContact CD1-CG2 3.64Å; L44-V67 HydrophobicContact CD2-CG2 3.86Å; L44-V67 HydrophobicContact CG-CG2 4.34Å; L44-V74 HydrophobicContact CD2-CG1 3.93Å; L44-V74 HydrophobicContact CD2-CG2 4.46Å; L44-R81 WeakPolarHBondContact CA-O 3.46Å; L44-R81 HydrophobicContact CB-CB 4.31Å; L44-R81 HydrophobicContact CD2-CB 3.78Å; L44-R81 HydrophobicContact CG-CB 4.02Å; L44-V83 HydrophobicContact CB-CG1 4.16Å
45	L	92.2	Very high	83.6	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.3	171	-176.3	69.2	0	0	0	109.6	L35 I47 F61 D62 I63 R81 V82 V83 F108	L35-L45 HydrophobicContact CD1-CB 3.75Å; L35-L45 HydrophobicContact CD2-CB 3.6Å; L35-L45 HydrophobicContact CD2-CD2 4.49Å; L35-L45 HydrophobicContact CG-CB 4.37Å; L45-I47 HydrophobicContact CD2-CG1 4.49Å; L45-I47 HydrophobicContact CG-CG1 4.4Å; L45-F61 HydrophobicContact CD1-CB 4.16Å; L45-F61 HydrophobicContact CD1-CD1 4.45Å; L45-F61 HydrophobicContact CD2-CD1 4.24Å; L45-F61 HydrophobicContact CG-CD1 4.47Å; L45-D62 CarbonylContact C-O 3.51Å; L45-I63 HydrophobicContact CB-CD1 4.31Å; L45-I63 HydrophobicContact CD1-CD1 3.69Å; L45-R81 PolarHBondContact N-O 2.73Å; L45-V82 HydrophobicContact CB-CG1 4.46Å; L45-V82 HydrophobicContact CB-CG2 4.11Å; L45-V82 HydrophobicContact CD2-CG2 4.38Å; L45-V82 CarbonylContact O-C 3.54Å; L45-V82 VanDerWaalsContact O-CA 3.24Å; L45-V82 WeakPolarHBondContact O-CA 3.24Å; L45-V82 VanDerWaalsContact O-CG1 3.28Å; L45-V82 WeakPolarHBondContact O-CG1 3.34Å; L45-V83 PolarHBondContact O-N 3.07Å; L45-F108 HydrophobicContact CD1-CD2 3.91Å; L45-F108 HydrophobicContact CD1-CE2 3.95Å; L45-F108 HydrophobicContact CD1-CG 4.3Å; L45-F108 HydrophobicContact CD1-CZ 4.38Å; L45-F108 HydrophobicContact CD2-CD1 3.79Å; L45-F108 HydrophobicContact CD2-CD2 4.41Å; L45-F108 HydrophobicContact CD2-CE1 4Å; L45-F108 HydrophobicContact CD2-CG 4.01Å; L45-F108 HydrophobicContact CD2-CZ 4.4Å
46	R	93.2	Very high	82.9	Confident	47 Å²	47	60.7 Å²	60.7	18%	0.177	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.2	168.6	-176.3	172.9	-73.5	-86.1	-0.2	110.2	L44 F61 D62 V64 D66 D72 V83	L44-R46 PolarHBondContact O-N 3.37Å; R46-F61 WeakPolarHBondContact O-CA 3.12Å; R46-D62 HydrophobicContact CB-CB 4.41Å; R46-D62 PolarHBondContact N-O 2.72Å; R46-D62 PolarHBondContact O-N 2.82Å; R46-V64 HydrophobicContact CB-CG1 4.09Å; R46-V64 HydrophobicContact CB-CG2 3.82Å; R46-D66 PolarHBondContact NH2-O 3.48Å; R46-D72 IonicContact CZ-OD1 3.56Å; R46-D72 IonicContact CZ-OD2 2.77Å; R46-D72 IonicContact NH1-OD1 2.84Å; R46-D72 PolarHBondContact NH1-OD1 3.03Å; R46-D72 IonicContact NH1-OD2 3.35Å; R46-D72 PolarHBondContact NH1-OD2 2.8Å; R46-D72 IonicContact NH2-OD1 3.35Å; R46-D72 IonicContact NH2-OD2 3.63Å; R46-D72 PolarHBondContact NH2-OD2 2.9Å; R46-V83 CarbonylContact C-O 3.23Å; R46-V83 VanDerWaalsContact CA-CG1 3.49Å; R46-V83 VanDerWaalsContact CA-O 3.24Å; R46-V83 WeakPolarHBondContact CA-O 3.46Å; R46-V83 HydrophobicContact CB-CG1 3.66Å; R46-V83 HydrophobicContact CG-CG1 4.12Å
47	I	91.9	Very high	82.6	Confident	0 Å²	0	56 Å²	56	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.7	170.4	-46.1	178.1	0	0	0	107.9	L25 L45 K60 F61 V82 V83 V84 L92 V97	L25-I47 HydrophobicContact CD2-CD1 4.48Å; L45-I47 HydrophobicContact CD2-CG1 4.49Å; L45-I47 HydrophobicContact CG-CG1 4.4Å; I47-K60 WeakPolarHBondContact CA-O 3.22Å; I47-F61 HydrophobicContact CD1-CD1 4.38Å; I47-F61 HydrophobicContact CD1-CE1 3.99Å; I47-F61 HydrophobicContact CG1-CD1 3.92Å; I47-F61 HydrophobicContact CG1-CE1 3.95Å; I47-F61 HydrophobicContact CG2-CD1 4.22Å; I47-F61 HydrophobicContact CG2-CE1 3.86Å; I47-F61 HydrophobicContact CG2-CZ 4.42Å; I47-V82 HydrophobicContact CD1-CG1 3.55Å; I47-V82 HydrophobicContact CG1-CG1 3.81Å; I47-V83 PolarHBondContact N-O 3.18Å; I47-V84 HydrophobicContact CB-CG2 4.14Å; I47-V84 HydrophobicContact CD1-CG2 4.5Å; I47-V84 HydrophobicContact CG1-CG2 4.46Å; I47-V84 WeakPolarHBondContact O-CG1 3.34Å; I47-L92 HydrophobicContact CB-CD1 4.09Å; I47-L92 HydrophobicContact CG2-CD1 3.57Å; I47-V97 HydrophobicContact CD1-CB 4.46Å; I47-V97 HydrophobicContact CD1-CG1 4.09Å; I47-V97 HydrophobicContact CD1-CG2 3.53Å
48	T	90.4	Very high	82.4	Confident	37 Å²	37	52.2 Å²	52.2	23%	0.227	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.6	175.7	-58.2	0	0	0	0	109.2	K60 S88	T48-K60 PolarHBondContact N-O 2.77Å; T48-K60 PolarHBondContact O-N 2.9Å; T48-S88 WeakPolarHBondContact CA-OG 3.38Å
49	V	88.3	Confident	82.3	Confident	16 Å²	16	50 Å²	50	10%	0.097	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116	171.2	176.9	0	0	0	0	108	Y57 E58 Y59 S88 F91 L92 F126	V49-Y57 HydrophobicContact CG1-CD1 3.77Å; V49-Y57 HydrophobicContact CG1-CG 4.29Å; V49-E58 WeakPolarHBondContact CA-O 3.43Å; V49-Y59 HydrophobicContact CG2-CD1 3.72Å; V49-Y59 HydrophobicContact CG2-CE1 3.8Å; V49-S88 PolarHBondContact N-OG 2.66Å; V49-F91 HydrophobicContact CB-CB 4.46Å; V49-F91 HydrophobicContact CB-CD2 4.09Å; V49-F91 HydrophobicContact CG1-CB 4.3Å; V49-F91 HydrophobicContact CG1-CD2 3.93Å; V49-F91 HydrophobicContact CG1-CE2 4.46Å; V49-F91 HydrophobicContact CG1-CG 4.15Å; V49-F91 HydrophobicContact CG2-CB 4.01Å; V49-F91 HydrophobicContact CG2-CD2 4.48Å; V49-L92 HydrophobicContact CG2-CD1 4.09Å; V49-L92 HydrophobicContact CG2-CG 4.07Å; V49-F126 HydrophobicContact CG1-CE1 4.04Å; V49-F126 HydrophobicContact CG1-CZ 3.81Å; V49-F126 HydrophobicContact CG2-CZ 4.4Å
50	D	86.1	Confident	82.4	Confident	62 Å²	62	52.8 Å²	52.8	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.3	176.4	-156.8	-74.5	0	0	0	109.5	G52 Y57 E58 K60	D50-G52 VanDerWaalsContact C-N 3.32Å; D50-G52 PolarHBondContact O-N 2.91Å; D50-Y57 CarbonylContact O-C 3.49Å; D50-Y57 VanDerWaalsContact O-CA 3.27Å; D50-Y57 WeakPolarHBondContact O-CA 3.46Å; D50-E58 PolarHBondContact N-O 2.73Å; D50-E58 PolarHBondContact O-N 3.28Å; D50-K60 HydrophobicContact CB-CD 4.17Å; D50-K60 VanDerWaalsContact CG-NZ 3.33Å; D50-K60 IonicContact OD2-NZ 3.51Å; D50-K60 PolarHBondContact OD2-NZ 2.71Å
51	S	79.2	Confident	82.8	Confident	96 Å²	96	53.4 Å²	53.4	67%	0.671	33%	0.325	S	S	*	.	S	Bend	trans	-79.6	83.3	174.1	58.8	0	0	0	0	109.4	G56	S51-G56 CarbonylContact C-O 3.56Å; S51-G56 WeakPolarHBondContact CA-O 3.37Å
52	G	72.8	Confident	83.3	Confident	23 Å²	23	53 Å²	53	24%	0.237	31%	0.31	C	S	.	.			trans	-161.1	179.9	-176.4	0	0	0	0	0	112.9	D50 G56 Y57 E58	D50-G52 VanDerWaalsContact C-N 3.32Å; D50-G52 PolarHBondContact O-N 2.91Å; G52-G56 PolarHBondContact N-O 3.46Å; G52-G56 VanDerWaalsContact N-O 3.08Å; G52-G56 CarbonylContact O-C 3.6Å; G52-G56 VanDerWaalsContact O-C 3.23Å; G52-Y57 CarbonylContact O-C 3.37Å; G52-Y57 VanDerWaalsContact O-CA 3.27Å; G52-Y57 WeakPolarHBondContact O-CA 3.35Å; G52-Y57 PolarHBondContact O-N 3.05Å; G52-Y57 VanDerWaalsContact O-N 3.09Å; G52-E58 PolarHBondContact O-N 3.29Å
53	G	65.5	Low	83.6	Confident	50 Å²	50	50.2 Å²	50.2	52%	0.515	30%	0.295	S	S	.	.	S	Bend	trans	82.8	177.4	-179.4	0	0	0	0	0	114.4	S55 G56	G53-S55 PolarHBondContact O-N 3.35Å; G53-S55 VanDerWaalsContact O-N 3.15Å; G53-G56 PolarHBondContact O-N 3Å
54	C	61.1	Low	83.7	Confident	133 Å²	133	48.2 Å²	48.2	90%	0.899	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19	-171.6	-161.2	0	0	0	0	113.7
55	S	63.4	Low	83.5	Confident	36 Å²	36	51.9 Å²	51.9	25%	0.252	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	5.2	-173.1	-54.3	0	0	0	0	114	G53 F126 S127	G53-S55 PolarHBondContact O-N 3.35Å; G53-S55 VanDerWaalsContact O-N 3.15Å; S55-F126 CarbonylContact C-O 3.56Å; S55-F126 VanDerWaalsContact O-O 3.05Å; S55-S127 WeakPolarHBondContact O-CB 3.46Å; S55-S127 PolarHBondContact O-OG 2.84Å
56	G	75.6	Confident	83.3	Confident	35 Å²	35	57.9 Å²	57.9	36%	0.361	35%	0.346	S	S	.	.	S	Bend	trans	102.1	-27.6	174.5	0	0	0	0	0	115.5	S51 G52 G53	S51-G56 CarbonylContact C-O 3.56Å; S51-G56 WeakPolarHBondContact CA-O 3.37Å; G52-G56 PolarHBondContact N-O 3.46Å; G52-G56 VanDerWaalsContact N-O 3.08Å; G52-G56 CarbonylContact O-C 3.6Å; G52-G56 VanDerWaalsContact O-C 3.23Å; G53-G56 PolarHBondContact O-N 3Å
57	Y	82.2	Confident	82.9	Confident	63 Å²	63	57.4 Å²	57.4	25%	0.247	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.1	174.1	-61.7	-87	0	0	0	112.8	V49 D50 G52 F91 S125 F126 V128	V49-Y57 HydrophobicContact CG1-CD1 3.77Å; V49-Y57 HydrophobicContact CG1-CG 4.29Å; D50-Y57 CarbonylContact O-C 3.49Å; D50-Y57 VanDerWaalsContact O-CA 3.27Å; D50-Y57 WeakPolarHBondContact O-CA 3.46Å; G52-Y57 CarbonylContact O-C 3.37Å; G52-Y57 VanDerWaalsContact O-CA 3.27Å; G52-Y57 WeakPolarHBondContact O-CA 3.35Å; G52-Y57 PolarHBondContact O-N 3.05Å; G52-Y57 VanDerWaalsContact O-N 3.09Å; Y57-F91 HydrophobicContact CE1-CE1 4.16Å; Y57-F91 AromaticContact CE1-CZ 3.97Å; Y57-F91 HydrophobicContact CE1-CZ 3.97Å; Y57-S125 CarbonylContact O-C 3.52Å; Y57-S125 WeakPolarHBondContact O-CA 3.33Å; Y57-S125 VanDerWaalsContact O-CB 3.31Å; Y57-S125 WeakPolarHBondContact O-CB 3.26Å; Y57-F126 VanDerWaalsContact CB-CE1 3.44Å; Y57-F126 HydrophobicContact CG-CE1 4.48Å; Y57-F126 HydrophobicContact CG-CZ 4.26Å; Y57-F126 PolarHBondContact N-O 2.98Å; Y57-F126 VanDerWaalsContact N-O 3.1Å; Y57-F126 PolarHBondContact O-N 3.06Å; Y57-V128 HydrophobicContact CD2-CB 4.49Å; Y57-V128 HydrophobicContact CD2-CG1 3.69Å; Y57-V128 HydrophobicContact CD2-CG2 4.24Å; Y57-V128 HydrophobicContact CE2-CB 4.14Å; Y57-V128 HydrophobicContact CE2-CG1 3.66Å; Y57-V128 HydrophobicContact CE2-CG2 3.47Å; Y57-V128 VanDerWaalsContact CE2-CG2 3.47Å; Y57-V128 HydrophobicContact CG-CG1 4.34Å
58	E	83.9	Confident	82.7	Confident	71 Å²	71	60.9 Å²	60.9	33%	0.332	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.2	177.7	-178.7	171	89.2	0	0	110.7	V49 D50 G52	V49-E58 WeakPolarHBondContact CA-O 3.43Å; D50-E58 PolarHBondContact N-O 2.73Å; D50-E58 PolarHBondContact O-N 3.28Å; G52-E58 PolarHBondContact O-N 3.29Å
59	Y	87	Confident	82.2	Confident	20 Å²	20	64.3 Å²	64.3	8%	0.078	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.5	172.6	-57.6	-71.8	0	0	0	110.2	V49 L92 I110 N113 A124 F126	V49-Y59 HydrophobicContact CG2-CD1 3.72Å; V49-Y59 HydrophobicContact CG2-CE1 3.8Å; Y59-L92 HydrophobicContact CD1-CD2 3.88Å; Y59-L92 HydrophobicContact CE1-CD2 3.39Å; Y59-L92 HydrophobicContact CE1-CG 4.24Å; Y59-I110 HydrophobicContact CD1-CG1 3.81Å; Y59-I110 HydrophobicContact CD2-CB 4.24Å; Y59-I110 HydrophobicContact CD2-CG1 3.71Å; Y59-I110 HydrophobicContact CE1-CG1 3.82Å; Y59-I110 HydrophobicContact CE2-CB 3.88Å; Y59-I110 HydrophobicContact CE2-CG1 3.7Å; Y59-I110 HydrophobicContact CG-CG1 3.76Å; Y59-N113 PolarHBondContact OH-ND2 3.31Å; Y59-A124 PolarHBondContact N-O 2.83Å; Y59-F126 HydrophobicContact CD1-CD1 4.49Å; Y59-F126 AromaticContact CD1-CE1 3.83Å; Y59-F126 HydrophobicContact CD1-CE1 3.83Å; Y59-F126 AromaticContact CD2-CD1 3.92Å; Y59-F126 HydrophobicContact CD2-CD1 3.92Å; Y59-F126 HydrophobicContact CD2-CE1 4.08Å; Y59-F126 AromaticContact CE1-CD1 3.85Å; Y59-F126 HydrophobicContact CE1-CD1 3.85Å; Y59-F126 AromaticContact CE1-CE1 3.19Å; Y59-F126 HydrophobicContact CE1-CE1 3.19Å; Y59-F126 AromaticContact CE1-CZ 3.61Å; Y59-F126 HydrophobicContact CE1-CZ 3.61Å; Y59-F126 HydrophobicContact CE2-CB 4.48Å; Y59-F126 AromaticContact CE2-CD1 3.19Å; Y59-F126 HydrophobicContact CE2-CD1 3.19Å; Y59-F126 AromaticContact CE2-CE1 3.5Å; Y59-F126 HydrophobicContact CE2-CE1 3.5Å; Y59-F126 VanDerWaalsContact CE2-CE1 3.5Å; Y59-F126 AromaticContact CE2-CG 3.97Å; Y59-F126 HydrophobicContact CE2-CG 3.97Å; Y59-F126 HydrophobicContact CE2-CZ 4.44Å; Y59-F126 HydrophobicContact CG-CE1 4.23Å; Y59-F126 AromaticContact CZ-CD1 3.15Å; Y59-F126 AromaticContact CZ-CE1 3.01Å; Y59-F126 AromaticContact CZ-CG 3.84Å; Y59-F126 AromaticContact CZ-CZ 3.57Å; Y59-F126 WeakPolarHBondContact OH-CD1 3.29Å; Y59-F126 WeakPolarHBondContact OH-CE1 3.24Å; Y59-F126 WeakPolarHBondContact OH-CG 3.2Å; Y59-F126 WeakPolarHBondContact OH-CZ 3.31Å
60	K	88.7	Confident	82	Confident	77 Å²	77	70.7 Å²	70.7	34%	0.335	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.6	172	-67.3	179.7	178.7	169.8	0	109.9	I47 T48 D50	I47-K60 WeakPolarHBondContact CA-O 3.22Å; T48-K60 PolarHBondContact N-O 2.77Å; T48-K60 PolarHBondContact O-N 2.9Å; D50-K60 HydrophobicContact CB-CD 4.17Å; D50-K60 VanDerWaalsContact CG-NZ 3.33Å; D50-K60 IonicContact OD2-NZ 3.51Å; D50-K60 PolarHBondContact OD2-NZ 2.71Å
61	F	90.5	Very high	82.1	Confident	52 Å²	52	72.1 Å²	72.1	23%	0.228	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	111.8	-177.1	-63.5	-83.8	0	0	0	108.6	L45 R46 I47 V97 F108 I110	L45-F61 HydrophobicContact CD1-CB 4.16Å; L45-F61 HydrophobicContact CD1-CD1 4.45Å; L45-F61 HydrophobicContact CD2-CD1 4.24Å; L45-F61 HydrophobicContact CG-CD1 4.47Å; R46-F61 WeakPolarHBondContact O-CA 3.12Å; I47-F61 HydrophobicContact CD1-CD1 4.38Å; I47-F61 HydrophobicContact CD1-CE1 3.99Å; I47-F61 HydrophobicContact CG1-CD1 3.92Å; I47-F61 HydrophobicContact CG1-CE1 3.95Å; I47-F61 HydrophobicContact CG2-CD1 4.22Å; I47-F61 HydrophobicContact CG2-CE1 3.86Å; I47-F61 HydrophobicContact CG2-CZ 4.42Å; F61-V97 HydrophobicContact CE1-CG1 4.14Å; F61-F108 HydrophobicContact CB-CB 4.17Å; F61-F108 HydrophobicContact CB-CD2 4.45Å; F61-F108 HydrophobicContact CD1-CB 3.52Å; F61-F108 HydrophobicContact CD1-CG 4.35Å; F61-F108 HydrophobicContact CD2-CB 4.02Å; F61-F108 HydrophobicContact CE1-CB 3.8Å; F61-F108 HydrophobicContact CE2-CB 4.26Å; F61-F108 VanDerWaalsContact CE2-O 3.31Å; F61-F108 WeakPolarHBondContact CE2-O 3.49Å; F61-F108 HydrophobicContact CG-CB 3.63Å; F61-F108 HydrophobicContact CZ-CB 4.16Å; F61-I110 HydrophobicContact CE1-CD1 4.21Å; F61-I110 HydrophobicContact CZ-CD1 3.97Å; F61-I110 HydrophobicContact CZ-CG1 4.17Å
62	D	90.9	Very high	82.6	Confident	84 Å²	84	68.3 Å²	68.3	45%	0.449	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141	-176.3	-70.5	-76.9	0	0	0	110	L45 R46 V64	L45-D62 CarbonylContact C-O 3.51Å; R46-D62 HydrophobicContact CB-CB 4.41Å; R46-D62 PolarHBondContact N-O 2.72Å; R46-D62 PolarHBondContact O-N 2.82Å; D62-V64 HydrophobicContact CB-CG1 4.25Å
63	I	90.5	Very high	83.4	Confident	64 Å²	64	68.5 Å²	68.5	33%	0.328	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.4	171.5	-58.4	-61.8	0	0	0	107.5	L35 I38 E43 L44 L45	L35-I63 HydrophobicContact CD1-CD1 3.59Å; I38-I63 HydrophobicContact CD1-CD1 4.15Å; I38-I63 HydrophobicContact CD1-CG1 4.49Å; E43-I63 HydrophobicContact CB-CG2 3.71Å; E43-I63 HydrophobicContact CG-CG2 4.05Å; L44-I63 WeakPolarHBondContact O-CA 3.49Å; L45-I63 HydrophobicContact CB-CD1 4.31Å; L45-I63 HydrophobicContact CD1-CD1 3.69Å
64	V	91.9	Very high	84.6	Confident	34 Å²	34	69.6 Å²	69.6	21%	0.206	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.5	-177.9	-58.3	0	0	0	0	110.2	E43 L44 R46 D62 V83	E43-V64 CarbonylContact C-O 3.11Å; E43-V64 WeakPolarHBondContact CA-O 3.41Å; L44-V64 WeakPolarHBondContact CD1-O 3.42Å; L44-V64 PolarHBondContact N-O 3.41Å; L44-V64 PolarHBondContact O-N 2.74Å; R46-V64 HydrophobicContact CB-CG1 4.09Å; R46-V64 HydrophobicContact CB-CG2 3.82Å; D62-V64 HydrophobicContact CB-CG1 4.25Å; V64-V83 HydrophobicContact CG2-CG1 3.9Å
65	S	88.9	Confident	85.9	Confident	88 Å²	88	65 Å²	65	62%	0.615	36%	0.359	S	S	*	.	S	Bend	trans	-103.5	-14.3	170	51.2	0	0	0	0	112.9	N42	N42-S65 WeakPolarHBondContact O-CA 3.11Å
66	D	87.1	Confident	87.1	Confident	128 Å²	128	70.2 Å²	70.2	68%	0.684	38%	0.379	S	S	*	.			trans	-102.5	132.3	-177.8	-157.7	-105.3	0	0	0	111.1	R46	R46-D66 PolarHBondContact NH2-O 3.48Å
67	V	85.6	Confident	87.5	Confident	36 Å²	36	72.8 Å²	72.8	22%	0.218	38%	0.378	C	S	.	.			trans	-136.1	125.1	-177	177.4	0	0	0	0	108.6	L44 S69 D72 V74 V83	L44-V67 HydrophobicContact CD1-CG2 3.64Å; L44-V67 HydrophobicContact CD2-CG2 3.86Å; L44-V67 HydrophobicContact CG-CG2 4.34Å; V67-S69 PolarHBondContact O-N 3.09Å; V67-D72 HydrophobicContact CG1-CB 3.84Å; V67-V74 HydrophobicContact CG1-CG2 3.7Å; V67-V83 HydrophobicContact CG1-CG2 3.78Å; V67-V83 HydrophobicContact CG2-CB 4.37Å; V67-V83 HydrophobicContact CG2-CG1 4.44Å; V67-V83 HydrophobicContact CG2-CG2 4.12Å
68	D	87.2	Confident	87.6	Confident	74 Å²	74	74.2 Å²	74.2	40%	0.396	39%	0.39	S	S	.	.			trans	-87.9	102.7	172.3	-166.5	-32.3	0	0	0	109.1	Q70 D71 D72	D68-Q70 PolarHBondContact O-N 3.08Å; D68-Q70 VanDerWaalsContact OD1-CB 3.29Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.42Å; D68-Q70 PolarHBondContact OD1-N 3.46Å; D68-D71 PolarHBondContact O-N 3.42Å; D68-D71 VanDerWaalsContact O-N 3.16Å; D68-D72 PolarHBondContact N-OD2 2.8Å; D68-D72 WeakPolarHBondContact O-CA 3.34Å; D68-D72 WeakPolarHBondContact O-CB 3.48Å; D68-D72 PolarHBondContact O-N 2.87Å
69	S	80.1	Confident	87.6	Confident	109 Å²	109	73.1 Å²	73.1	76%	0.762	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-11.4	-179.6	-58.6	0	0	0	0	114	V67	V67-S69 PolarHBondContact O-N 3.09Å
70	Q	83.8	Confident	87.7	Confident	149 Å²	149	72.3 Å²	72.3	70%	0.696	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-33.9	176.7	-60	-175.2	51.7	0	0	112.4	D68 K86	D68-Q70 PolarHBondContact O-N 3.08Å; D68-Q70 VanDerWaalsContact OD1-CB 3.29Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.42Å; D68-Q70 PolarHBondContact OD1-N 3.46Å; Q70-K86 WeakPolarHBondContact O-CE 3.38Å; Q70-K86 PolarHBondContact O-NZ 3.45Å
71	D	88.1	Confident	87.8	Confident	93 Å²	93	72 Å²	72	50%	0.497	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-10.5	-175.4	-80	-69.1	0	0	0	114	D68 D85 K86	D68-D71 PolarHBondContact O-N 3.42Å; D68-D71 VanDerWaalsContact O-N 3.16Å; D71-D85 CarbonylContact O-C 3.56Å; D71-D85 WeakPolarHBondContact O-CA 3.41Å; D71-K86 VanDerWaalsContact O-CG 3.31Å; D71-K86 WeakPolarHBondContact O-CG 3.42Å; D71-K86 PolarHBondContact O-N 2.79Å
72	D	90.4	Very high	87.8	Confident	16 Å²	16	69.5 Å²	69.5	9%	0.086	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.8	179.3	-63.5	-46.4	0	0	0	113.3	R46 V67 D68 V83 D85	R46-D72 IonicContact CZ-OD1 3.56Å; R46-D72 IonicContact CZ-OD2 2.77Å; R46-D72 IonicContact NH1-OD1 2.84Å; R46-D72 PolarHBondContact NH1-OD1 3.03Å; R46-D72 IonicContact NH1-OD2 3.35Å; R46-D72 PolarHBondContact NH1-OD2 2.8Å; R46-D72 IonicContact NH2-OD1 3.35Å; R46-D72 IonicContact NH2-OD2 3.63Å; R46-D72 PolarHBondContact NH2-OD2 2.9Å; V67-D72 HydrophobicContact CG1-CB 3.84Å; D68-D72 PolarHBondContact N-OD2 2.8Å; D68-D72 WeakPolarHBondContact O-CA 3.34Å; D68-D72 WeakPolarHBondContact O-CB 3.48Å; D68-D72 PolarHBondContact O-N 2.87Å; D72-V83 HydrophobicContact CB-CG2 3.48Å; D72-V83 VanDerWaalsContact CB-CG2 3.48Å; D72-D85 WeakPolarHBondContact OD1-CA 3.44Å
73	V	89.4	Confident	87.9	Confident	27 Å²	27	65.5 Å²	65.5	16%	0.164	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.9	172.6	-171.9	0	0	0	0	108.6	F75 V83 V84 K86 M89	V73-F75 HydrophobicContact CB-CE2 3.96Å; V73-F75 HydrophobicContact CB-CZ 4.28Å; V73-F75 HydrophobicContact CG1-CD2 4.39Å; V73-F75 HydrophobicContact CG1-CE1 4.25Å; V73-F75 HydrophobicContact CG1-CE2 3.54Å; V73-F75 HydrophobicContact CG1-CZ 3.45Å; V73-F75 VanDerWaalsContact CG1-CZ 3.45Å; V73-V83 WeakPolarHBondContact O-CA 3.45Å; V73-V84 PolarHBondContact N-O 3.4Å; V73-V84 PolarHBondContact O-N 3.04Å; V73-K86 HydrophobicContact CG2-CG 4.27Å; V73-M89 HydrophobicContact CB-CG 4.19Å; V73-M89 HydrophobicContact CG2-CG 4.07Å
74	V	89.6	Confident	88	Confident	73 Å²	73	62.5 Å²	62.5	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.6	-179.6	-176.7	0	0	0	0	110.7	L44 V67 V82 V83	L44-V74 HydrophobicContact CD2-CG1 3.93Å; L44-V74 HydrophobicContact CD2-CG2 4.46Å; V67-V74 HydrophobicContact CG1-CG2 3.7Å; V74-V82 CarbonylContact C-O 3.53Å; V74-V82 WeakPolarHBondContact CA-O 3.24Å; V74-V83 HydrophobicContact CG2-CB 4.33Å; V74-V83 HydrophobicContact CG2-CG2 4.05Å
75	F	89.6	Confident	88	Confident	36 Å²	36	62.3 Å²	62.3	16%	0.158	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.3	175	-60.4	-85.9	0	0	0	109.8	L25 V73 R81 V82 V84 M89	L25-F75 HydrophobicContact CB-CD1 4.04Å; L25-F75 HydrophobicContact CB-CD2 4.08Å; L25-F75 HydrophobicContact CB-CE1 4.08Å; L25-F75 HydrophobicContact CB-CE2 4.13Å; L25-F75 HydrophobicContact CB-CG 4.04Å; L25-F75 HydrophobicContact CB-CZ 4.13Å; L25-F75 HydrophobicContact CD2-CD2 4.22Å; L25-F75 HydrophobicContact CD2-CG 4.37Å; V73-F75 HydrophobicContact CB-CE2 3.96Å; V73-F75 HydrophobicContact CB-CZ 4.28Å; V73-F75 HydrophobicContact CG1-CD2 4.39Å; V73-F75 HydrophobicContact CG1-CE1 4.25Å; V73-F75 HydrophobicContact CG1-CE2 3.54Å; V73-F75 HydrophobicContact CG1-CZ 3.45Å; V73-F75 VanDerWaalsContact CG1-CZ 3.45Å; F75-R81 CarbonylContact O-C 3.47Å; F75-R81 WeakPolarHBondContact O-CA 3.36Å; F75-V82 PolarHBondContact N-O 2.93Å; F75-V82 PolarHBondContact O-N 2.76Å; F75-V84 HydrophobicContact CD2-CG2 4.39Å; F75-V84 HydrophobicContact CE2-CG2 4.31Å; F75-M89 HydrophobicContact CE2-CE 3.76Å; F75-M89 HydrophobicContact CE2-SD 3.54Å; F75-M89 VanDerWaalsContact CE2-SD 3.54Å; F75-M89 HydrophobicContact CZ-CE 3.42Å; F75-M89 VanDerWaalsContact CZ-CE 3.42Å; F75-M89 HydrophobicContact CZ-SD 3.88Å
76	E	87.5	Confident	87.9	Confident	146 Å²	146	63 Å²	63	68%	0.682	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.7	174.6	-172	-177.8	104.8	0	0	110.4	A80 R81	E76-A80 CarbonylContact C-O 3.56Å; E76-A80 WeakPolarHBondContact CA-O 3.27Å; E76-R81 HydrophobicContact CB-CG 4.44Å; E76-R81 HydrophobicContact CG-CG 4.12Å
77	R	85.3	Confident	87.9	Confident	89 Å²	89	63.2 Å²	63.2	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	125.6	170.8	-171.4	-178.6	177	156.2	-20.9	110.7	L27 D29 G79 A80	L27-R77 HydrophobicContact CB-CB 4.28Å; L27-R77 HydrophobicContact CD1-CB 3.76Å; L27-R77 VanDerWaalsContact O-CD 3.27Å; L27-R77 WeakPolarHBondContact O-CD 3.29Å; L27-R77 PolarHBondContact O-NE 3.16Å; L27-R77 VanDerWaalsContact O-NE 3.13Å; L27-R77 PolarHBondContact O-NH1 2.88Å; L27-R77 PolarHBondContact O-NH2 2.86Å; D29-R77 IonicContact OD2-NH2 3.51Å; R77-G79 PolarHBondContact O-N 3.46Å; R77-A80 PolarHBondContact N-O 2.99Å; R77-A80 VanDerWaalsContact O-CB 3.29Å; R77-A80 WeakPolarHBondContact O-CB 3.49Å; R77-A80 PolarHBondContact O-N 2.97Å
78	N	83.4	Confident	88.1	Confident	93 Å²	93	61.6 Å²	61.6	50%	0.497	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	25.8	176.6	-66.4	-30	0	0	0	114.4	D29 A32 R36	D29-N78 PolarHBondContact OD1-ND2 2.7Å; A32-N78 HydrophobicContact CB-CB 4.33Å; R36-N78 WeakPolarHBondContact CD-O 3.27Å; R36-N78 PolarHBondContact NH1-O 2.96Å
79	G	84.5	Confident	88.2	Confident	48 Å²	48	58.4 Å²	58.4	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-0.2	-175.3	0	0	0	0	0	115.1	R77	R77-G79 PolarHBondContact O-N 3.46Å
80	A	88.7	Confident	88.4	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.3	169.6	0	0	0	0	0	109.1	A32 L35 R36 E76 R77	A32-A80 HydrophobicContact CB-CB 3.82Å; L35-A80 HydrophobicContact CB-CB 4.05Å; L35-A80 HydrophobicContact CD2-CB 3.98Å; L35-A80 HydrophobicContact CG-CB 4.35Å; R36-A80 HydrophobicContact CG-CB 4.32Å; E76-A80 CarbonylContact C-O 3.56Å; E76-A80 WeakPolarHBondContact CA-O 3.27Å; R77-A80 PolarHBondContact N-O 2.99Å; R77-A80 VanDerWaalsContact O-CB 3.29Å; R77-A80 WeakPolarHBondContact O-CB 3.49Å; R77-A80 PolarHBondContact O-N 2.97Å
81	R	90.4	Very high	88.5	Confident	71 Å²	71	53 Å²	53	27%	0.268	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.1	178.5	-60.1	-176.9	-59.6	-159.4	-8.8	111.1	L35 A41 N42 E43 L44 L45 F75 E76	L35-R81 VanDerWaalsContact CD2-O 3.23Å; L35-R81 WeakPolarHBondContact CD2-O 3.33Å; A41-R81 PolarHBondContact O-NH2 2.8Å; N42-R81 VanDerWaalsContact C-NH2 3.27Å; E43-R81 PolarHBondContact O-NH2 3.25Å; L44-R81 WeakPolarHBondContact CA-O 3.46Å; L44-R81 HydrophobicContact CB-CB 4.31Å; L44-R81 HydrophobicContact CD2-CB 3.78Å; L44-R81 HydrophobicContact CG-CB 4.02Å; L45-R81 PolarHBondContact N-O 2.73Å; F75-R81 CarbonylContact O-C 3.47Å; F75-R81 WeakPolarHBondContact O-CA 3.36Å; E76-R81 HydrophobicContact CB-CG 4.44Å; E76-R81 HydrophobicContact CG-CG 4.12Å
82	V	91.4	Very high	88.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.9	-179.9	-179.4	0	0	0	0	108.3	L25 L27 L35 L45 I47 V74 F75 V84	L25-V82 HydrophobicContact CD2-CB 4.45Å; L25-V82 HydrophobicContact CD2-CG1 3.96Å; L27-V82 HydrophobicContact CD1-CB 4.44Å; L27-V82 HydrophobicContact CD1-CG2 3.83Å; L27-V82 HydrophobicContact CD2-CG2 3.51Å; L27-V82 HydrophobicContact CG-CG2 4.28Å; L35-V82 HydrophobicContact CD2-CG2 3.88Å; L45-V82 HydrophobicContact CB-CG1 4.46Å; L45-V82 HydrophobicContact CB-CG2 4.11Å; L45-V82 HydrophobicContact CD2-CG2 4.38Å; L45-V82 CarbonylContact O-C 3.54Å; L45-V82 VanDerWaalsContact O-CA 3.24Å; L45-V82 WeakPolarHBondContact O-CA 3.24Å; L45-V82 VanDerWaalsContact O-CG1 3.28Å; L45-V82 WeakPolarHBondContact O-CG1 3.34Å; I47-V82 HydrophobicContact CD1-CG1 3.55Å; I47-V82 HydrophobicContact CG1-CG1 3.81Å; V74-V82 CarbonylContact C-O 3.53Å; V74-V82 WeakPolarHBondContact CA-O 3.24Å; F75-V82 PolarHBondContact N-O 2.93Å; F75-V82 PolarHBondContact O-N 2.76Å; V82-V84 HydrophobicContact CG1-CG2 4.3Å
83	V	92.4	Very high	88.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.8	179.7	63.3	0	0	0	0	109.2	L44 L45 R46 I47 V64 V67 D72 V73 V74	L44-V83 HydrophobicContact CB-CG1 4.16Å; L45-V83 PolarHBondContact O-N 3.07Å; R46-V83 CarbonylContact C-O 3.23Å; R46-V83 VanDerWaalsContact CA-CG1 3.49Å; R46-V83 VanDerWaalsContact CA-O 3.24Å; R46-V83 WeakPolarHBondContact CA-O 3.46Å; R46-V83 HydrophobicContact CB-CG1 3.66Å; R46-V83 HydrophobicContact CG-CG1 4.12Å; I47-V83 PolarHBondContact N-O 3.18Å; V64-V83 HydrophobicContact CG2-CG1 3.9Å; V67-V83 HydrophobicContact CG1-CG2 3.78Å; V67-V83 HydrophobicContact CG2-CB 4.37Å; V67-V83 HydrophobicContact CG2-CG1 4.44Å; V67-V83 HydrophobicContact CG2-CG2 4.12Å; D72-V83 HydrophobicContact CB-CG2 3.48Å; D72-V83 VanDerWaalsContact CB-CG2 3.48Å; V73-V83 WeakPolarHBondContact O-CA 3.45Å; V74-V83 HydrophobicContact CG2-CB 4.33Å; V74-V83 HydrophobicContact CG2-CG2 4.05Å
84	V	92	Very high	88.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131.2	179.9	-170.9	0	0	0	0	107.9	L25 I47 V73 F75 V82 M89 L92	L25-V84 HydrophobicContact CD1-CG2 4.44Å; I47-V84 HydrophobicContact CB-CG2 4.14Å; I47-V84 HydrophobicContact CD1-CG2 4.5Å; I47-V84 HydrophobicContact CG1-CG2 4.46Å; I47-V84 WeakPolarHBondContact O-CG1 3.34Å; V73-V84 PolarHBondContact N-O 3.4Å; V73-V84 PolarHBondContact O-N 3.04Å; F75-V84 HydrophobicContact CD2-CG2 4.39Å; F75-V84 HydrophobicContact CE2-CG2 4.31Å; V82-V84 HydrophobicContact CG1-CG2 4.3Å; V84-M89 HydrophobicContact CB-CG 3.78Å; V84-M89 HydrophobicContact CB-SD 3.41Å; V84-M89 WeakPolarHBondContact CB-SD 3.2Å; V84-M89 HydrophobicContact CG1-CB 4.44Å; V84-M89 HydrophobicContact CG1-CG 3.62Å; V84-M89 HydrophobicContact CG1-SD 3.42Å; V84-M89 WeakPolarHBondContact CG1-SD 3.38Å; V84-M89 HydrophobicContact CG2-SD 3.84Å; V84-L92 HydrophobicContact CG1-CD1 3.67Å
85	D	91.4	Very high	88.3	Confident	30 Å²	30	47.2 Å²	47.2	16%	0.16	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	152	175.2	68	86.2	0	0	0	110.6	D71 D72 M87 S88 M89	D71-D85 CarbonylContact O-C 3.56Å; D71-D85 WeakPolarHBondContact O-CA 3.41Å; D72-D85 WeakPolarHBondContact OD1-CA 3.44Å; D85-M87 PolarHBondContact O-N 2.83Å; D85-M87 WeakPolarHBondContact OD1-CA 3.22Å; D85-M87 VanDerWaalsContact OD1-CB 3.29Å; D85-M87 WeakPolarHBondContact OD1-CB 3.35Å; D85-M87 PolarHBondContact OD1-N 2.79Å; D85-M87 VanDerWaalsContact OD1-N 3.13Å; D85-S88 PolarHBondContact O-N 2.78Å; D85-S88 VanDerWaalsContact O-N 3.13Å; D85-S88 WeakPolarHBondContact OD1-CB 3.36Å; D85-S88 PolarHBondContact OD1-N 2.88Å; D85-S88 PolarHBondContact OD1-OG 2.91Å; D85-S88 VanDerWaalsContact OD1-OG 3.14Å; D85-S88 WeakPolarHBondContact OD2-CB 3.48Å; D85-S88 PolarHBondContact OD2-OG 3.02Å; D85-M89 WeakPolarHBondContact O-CG 3.2Å; D85-M89 PolarHBondContact O-N 3.1Å
86	K	88.7	Confident	88.4	Confident	102 Å²	102	47 Å²	47	44%	0.443	24%	0.241	S	C	.	.	H	α-helix	trans	-56.7	-34.3	-177.4	-78.8	171.4	-179.8	177.3	0	113.3	Q70 D71 V73 M89	Q70-K86 WeakPolarHBondContact O-CE 3.38Å; Q70-K86 PolarHBondContact O-NZ 3.45Å; D71-K86 VanDerWaalsContact O-CG 3.31Å; D71-K86 WeakPolarHBondContact O-CG 3.42Å; D71-K86 PolarHBondContact O-N 2.79Å; V73-K86 HydrophobicContact CG2-CG 4.27Å; K86-M89 PolarHBondContact O-N 2.87Å
87	M	87	Confident	88.5	Confident	133 Å²	133	40 Å²	40	66%	0.655	21%	0.208	S	C	*	.	H	α-helix	trans	-68.5	-45.8	178.7	-171.3	-170.9	-61	0	0	110.2	D85 M89 Q90 F91	D85-M87 PolarHBondContact O-N 2.83Å; D85-M87 WeakPolarHBondContact OD1-CA 3.22Å; D85-M87 VanDerWaalsContact OD1-CB 3.29Å; D85-M87 WeakPolarHBondContact OD1-CB 3.35Å; D85-M87 PolarHBondContact OD1-N 2.79Å; D85-M87 VanDerWaalsContact OD1-N 3.13Å; M87-M89 VanDerWaalsContact C-N 3.32Å; M87-M89 PolarHBondContact O-N 2.81Å; M87-Q90 VanDerWaalsContact O-CD 3.24Å; M87-Q90 WeakPolarHBondContact O-CG 3.28Å; M87-Q90 PolarHBondContact O-N 2.92Å; M87-F91 WeakPolarHBondContact O-CD2 3.16Å
88	S	89.6	Confident	88.8	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-33.3	175	-63.9	0	0	0	0	112.6	T48 V49 D85 Q90 F91 L92	T48-S88 WeakPolarHBondContact CA-OG 3.38Å; V49-S88 PolarHBondContact N-OG 2.66Å; D85-S88 PolarHBondContact O-N 2.78Å; D85-S88 VanDerWaalsContact O-N 3.13Å; D85-S88 WeakPolarHBondContact OD1-CB 3.36Å; D85-S88 PolarHBondContact OD1-N 2.88Å; D85-S88 PolarHBondContact OD1-OG 2.91Å; D85-S88 VanDerWaalsContact OD1-OG 3.14Å; D85-S88 WeakPolarHBondContact OD2-CB 3.48Å; D85-S88 PolarHBondContact OD2-OG 3.02Å; S88-Q90 PolarHBondContact O-N 3.33Å; S88-F91 WeakPolarHBondContact O-CB 3.31Å; S88-F91 PolarHBondContact O-N 2.71Å; S88-L92 PolarHBondContact O-N 2.87Å
89	M	88.1	Confident	89.1	Confident	8 Å²	8	32.5 Å²	32.5	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-30	178	-82.3	-54.3	-59.4	0	0	113.3	A23 V73 F75 V84 D85 K86 M87 F91 L92 N93	A23-M89 HydrophobicContact CB-CE 3.37Å; V73-M89 HydrophobicContact CB-CG 4.19Å; V73-M89 HydrophobicContact CG2-CG 4.07Å; F75-M89 HydrophobicContact CE2-CE 3.76Å; F75-M89 HydrophobicContact CE2-SD 3.54Å; F75-M89 VanDerWaalsContact CE2-SD 3.54Å; F75-M89 HydrophobicContact CZ-CE 3.42Å; F75-M89 VanDerWaalsContact CZ-CE 3.42Å; F75-M89 HydrophobicContact CZ-SD 3.88Å; V84-M89 HydrophobicContact CB-CG 3.78Å; V84-M89 HydrophobicContact CB-SD 3.41Å; V84-M89 WeakPolarHBondContact CB-SD 3.2Å; V84-M89 HydrophobicContact CG1-CB 4.44Å; V84-M89 HydrophobicContact CG1-CG 3.62Å; V84-M89 HydrophobicContact CG1-SD 3.42Å; V84-M89 WeakPolarHBondContact CG1-SD 3.38Å; V84-M89 HydrophobicContact CG2-SD 3.84Å; D85-M89 WeakPolarHBondContact O-CG 3.2Å; D85-M89 PolarHBondContact O-N 3.1Å; K86-M89 PolarHBondContact O-N 2.87Å; M87-M89 VanDerWaalsContact C-N 3.32Å; M87-M89 PolarHBondContact O-N 2.81Å; M89-F91 PolarHBondContact O-N 3.38Å; M89-L92 PolarHBondContact O-N 3.06Å; M89-N93 PolarHBondContact O-N 3.15Å
90	Q	85.4	Confident	89.2	Confident	115 Å²	115	36.1 Å²	36.1	54%	0.537	17%	0.172	S	C	.	.	H	α-helix	trans	-65	-27.2	176.1	88	-161.1	6.6	0	0	112.2	M87 S88	M87-Q90 VanDerWaalsContact O-CD 3.24Å; M87-Q90 WeakPolarHBondContact O-CG 3.28Å; M87-Q90 PolarHBondContact O-N 2.92Å; S88-Q90 PolarHBondContact O-N 3.33Å
91	F	85.1	Confident	89	Confident	29 Å²	29	41.8 Å²	41.8	13%	0.127	20%	0.199	C	C	.	.	H	α-helix	trans	-92.8	-22.4	178.3	-59	-71.6	0	0	0	112.7	V49 Y57 M87 S88 M89 N113 F126 V128	V49-F91 HydrophobicContact CB-CB 4.46Å; V49-F91 HydrophobicContact CB-CD2 4.09Å; V49-F91 HydrophobicContact CG1-CB 4.3Å; V49-F91 HydrophobicContact CG1-CD2 3.93Å; V49-F91 HydrophobicContact CG1-CE2 4.46Å; V49-F91 HydrophobicContact CG1-CG 4.15Å; V49-F91 HydrophobicContact CG2-CB 4.01Å; V49-F91 HydrophobicContact CG2-CD2 4.48Å; Y57-F91 HydrophobicContact CE1-CE1 4.16Å; Y57-F91 AromaticContact CE1-CZ 3.97Å; Y57-F91 HydrophobicContact CE1-CZ 3.97Å; M87-F91 WeakPolarHBondContact O-CD2 3.16Å; S88-F91 WeakPolarHBondContact O-CB 3.31Å; S88-F91 PolarHBondContact O-N 2.71Å; M89-F91 PolarHBondContact O-N 3.38Å; F91-N113 PolarHBondContact O-ND2 2.84Å; F91-N113 PolarHBondContact O-OD1 2.82Å; F91-F126 HydrophobicContact CB-CZ 4.27Å; F91-V128 HydrophobicContact CD1-CG1 3.54Å; F91-V128 HydrophobicContact CE1-CG1 3.75Å
92	L	87.9	Confident	88.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-102.8	4.3	-176.3	-71.9	168.6	0	0	0	113.5	L25 I47 V49 Y59 V84 S88 M89 G94 A95 I110	L25-L92 HydrophobicContact CD1-CB 4.07Å; I47-L92 HydrophobicContact CB-CD1 4.09Å; I47-L92 HydrophobicContact CG2-CD1 3.57Å; V49-L92 HydrophobicContact CG2-CD1 4.09Å; V49-L92 HydrophobicContact CG2-CG 4.07Å; Y59-L92 HydrophobicContact CD1-CD2 3.88Å; Y59-L92 HydrophobicContact CE1-CD2 3.39Å; Y59-L92 HydrophobicContact CE1-CG 4.24Å; V84-L92 HydrophobicContact CG1-CD1 3.67Å; S88-L92 PolarHBondContact O-N 2.87Å; M89-L92 PolarHBondContact O-N 3.06Å; L92-G94 PolarHBondContact O-N 2.87Å; L92-A95 HydrophobicContact CB-CB 4.38Å; L92-A95 HydrophobicContact CD2-CB 4.03Å; L92-A95 WeakPolarHBondContact O-CB 3.31Å; L92-A95 PolarHBondContact O-N 3.28Å; L92-I110 HydrophobicContact CD2-CD1 3.85Å; L92-I110 HydrophobicContact CD2-CG1 4.01Å
93	N	88.1	Confident	88	Confident	63 Å²	63	51.6 Å²	51.6	34%	0.337	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	120.8	-177.6	-165.8	4.9	0	0	0	111.6	Q22 A23 T24 M89 A95 P114 V115	Q22-N93 PolarHBondContact O-OD1 3.35Å; A23-N93 WeakPolarHBondContact CA-OD1 3.29Å; T24-N93 PolarHBondContact N-OD1 2.87Å; M89-N93 PolarHBondContact O-N 3.15Å; N93-A95 VanDerWaalsContact C-N 3.26Å; N93-A95 PolarHBondContact O-N 3.13Å; N93-P114 VanDerWaalsContact O-CG 3.22Å; N93-P114 WeakPolarHBondContact O-CG 3.23Å; N93-V115 HydrophobicContact CB-CG2 4.38Å; N93-V115 WeakPolarHBondContact O-CG2 3.46Å
94	G	87.7	Confident	87.4	Confident	24 Å²	24	59.1 Å²	59.1	25%	0.247	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	4.2	-174.3	0	0	0	0	0	114.5	T24 L92	T24-G94 WeakPolarHBondContact O-CA 3.27Å; T24-G94 PolarHBondContact O-N 3Å; L92-G94 PolarHBondContact O-N 2.87Å
95	A	90.7	Very high	86.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	152.2	-178.2	0	0	0	0	0	112.3	N26 L92 N93 I110 T112 N113	N26-A95 PolarHBondContact N-O 2.83Å; L92-A95 HydrophobicContact CB-CB 4.38Å; L92-A95 HydrophobicContact CD2-CB 4.03Å; L92-A95 WeakPolarHBondContact O-CB 3.31Å; L92-A95 PolarHBondContact O-N 3.28Å; N93-A95 VanDerWaalsContact C-N 3.26Å; N93-A95 PolarHBondContact O-N 3.13Å; A95-I110 HydrophobicContact CB-CG2 3.92Å; A95-T112 CarbonylContact C-O 3.59Å; A95-T112 WeakPolarHBondContact CA-O 3.47Å; A95-N113 HydrophobicContact CB-CB 4.14Å
96	T	90.5	Very high	86.4	Confident	32 Å²	32	66.8 Å²	66.8	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.8	175.1	-58.2	0	0	0	0	109.6	N26 T28 I110 E111 T112	N26-T96 HydrophobicContact CB-CG2 4.2Å; N26-T96 CarbonylContact O-C 3.52Å; N26-T96 WeakPolarHBondContact O-CA 3.18Å; T28-T96 HydrophobicContact CG2-CG2 3.81Å; T96-I110 CarbonylContact O-C 3.56Å; T96-E111 PolarHBondContact O-N 3.26Å; T96-T112 PolarHBondContact N-O 3.09Å
97	V	91.2	Very high	86.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.4	174.8	-168.5	0	0	0	0	109.1	L25 N26 L27 T28 I47 F61 I110	L25-V97 HydrophobicContact CD1-CG2 4.11Å; L25-V97 HydrophobicContact CD2-CG2 3.83Å; L25-V97 HydrophobicContact CG-CG2 4.05Å; N26-V97 PolarHBondContact O-N 2.78Å; L27-V97 HydrophobicContact CD2-CB 3.87Å; L27-V97 HydrophobicContact CD2-CG1 4.34Å; L27-V97 HydrophobicContact CD2-CG2 4.3Å; T28-V97 PolarHBondContact N-O 3Å; I47-V97 HydrophobicContact CD1-CB 4.46Å; I47-V97 HydrophobicContact CD1-CG1 4.09Å; I47-V97 HydrophobicContact CD1-CG2 3.53Å; F61-V97 HydrophobicContact CE1-CG1 4.14Å; V97-I110 HydrophobicContact CB-CD1 4.28Å; V97-I110 HydrophobicContact CG1-CD1 4.29Å; V97-I110 HydrophobicContact CG2-CD1 3.72Å
98	D	91.2	Very high	86.5	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.059	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	161.8	178.1	-175.7	52.6	0	0	0	110.5	T28 R109 E111	T28-D98 WeakPolarHBondContact CB-OD1 3.29Å; T28-D98 HydrophobicContact CG2-CB 3.73Å; T28-D98 VanDerWaalsContact CG2-OD1 3.29Å; T28-D98 WeakPolarHBondContact CG2-OD1 3.46Å; T28-D98 WeakPolarHBondContact OG1-CA 3.43Å; T28-D98 PolarHBondContact OG1-OD1 2.97Å; D98-R109 HydrophobicContact CB-CG 4.33Å; D98-R109 PolarHBondContact N-O 2.88Å; D98-R109 PolarHBondContact O-N 3.44Å; D98-R109 VanDerWaalsContact O-O 3.05Å; D98-R109 IonicContact OD2-CZ 2.72Å; D98-R109 IonicContact OD2-NE 3.59Å; D98-R109 PolarHBondContact OD2-NE 3.07Å; D98-R109 IonicContact OD2-NH2 3.59Å; D98-E111 HydrophobicContact CB-CB 3.88Å
99	Y	89.6	Confident	86.4	Confident	13 Å²	13	60.9 Å²	60.9	5%	0.051	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.3	172.1	179.8	-103.8	0	0	0	109.4	R34 E101 S106 F108	R34-Y99 HydrophobicContact CB-CD1 3.57Å; R34-Y99 HydrophobicContact CB-CD2 4.41Å; R34-Y99 HydrophobicContact CB-CE1 3.8Å; R34-Y99 HydrophobicContact CB-CG 3.89Å; R34-Y99 HydrophobicContact CG-CD1 3.58Å; R34-Y99 HydrophobicContact CG-CD2 3.99Å; R34-Y99 HydrophobicContact CG-CE1 3.29Å; R34-Y99 HydrophobicContact CG-CE2 3.77Å; R34-Y99 HydrophobicContact CG-CG 3.9Å; R34-Y99 VanDerWaalsContact CG-CZ 3.42Å; R34-Y99 PolarHBondContact NE-OH 3.42Å; Y99-E101 HydrophobicContact CD1-CG 3.76Å; Y99-E101 VanDerWaalsContact CE1-CD 3.48Å; Y99-E101 HydrophobicContact CE1-CG 3.11Å; Y99-S106 WeakPolarHBondContact OH-CB 3.48Å; Y99-F108 AromaticContact CD2-CD1 3.66Å; Y99-F108 HydrophobicContact CD2-CD1 3.66Å; Y99-F108 HydrophobicContact CD2-CD2 4.2Å; Y99-F108 AromaticContact CD2-CE1 3.66Å; Y99-F108 HydrophobicContact CD2-CE1 3.66Å; Y99-F108 HydrophobicContact CD2-CE2 4.2Å; Y99-F108 AromaticContact CD2-CG 3.94Å; Y99-F108 HydrophobicContact CD2-CG 3.94Å; Y99-F108 AromaticContact CD2-CZ 3.94Å; Y99-F108 HydrophobicContact CD2-CZ 3.94Å; Y99-F108 HydrophobicContact CE2-CD2 4.46Å; Y99-F108 HydrophobicContact CE2-CE1 4.44Å; Y99-F108 HydrophobicContact CE2-CE2 4.29Å; Y99-F108 HydrophobicContact CE2-CZ 4.28Å; Y99-F108 HydrophobicContact CG-CD1 4.29Å; Y99-F108 HydrophobicContact CG-CE1 4.19Å
100	R	86.1	Confident	86.4	Confident	123 Å²	123	61.2 Å²	61.2	46%	0.464	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.3	175.6	-86.2	-167	178.8	177	9.3	110.7	S106 A107 R109	R100-S106 CarbonylContact O-C 3.56Å; R100-S106 WeakPolarHBondContact O-CA 3.19Å; R100-A107 PolarHBondContact N-O 3.24Å; R100-A107 PolarHBondContact O-N 2.85Å; R100-R109 VanDerWaalsContact CG-NE 3.26Å; R100-R109 VanDerWaalsContact NE-NH1 3.16Å
101	E	84.7	Confident	86.4	Confident	122 Å²	122	60.1 Å²	60.1	57%	0.57	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.5	167.8	-61.6	-177.1	115.9	0	0	107.5	Y99 S106	Y99-E101 HydrophobicContact CD1-CG 3.76Å; Y99-E101 VanDerWaalsContact CE1-CD 3.48Å; Y99-E101 HydrophobicContact CE1-CG 3.11Å; E101-S106 WeakPolarHBondContact CA-OG 3.29Å
102	E	80	Confident	86.3	Confident	89 Å²	89	62.6 Å²	62.6	42%	0.416	32%	0.319	S	S	.	.			trans	-97.3	160.3	169.2	-49.7	-174.8	92.3	0	0	108.8	I104 R105	E102-I104 PolarHBondContact O-N 3.44Å; E102-I104 VanDerWaalsContact O-N 3.07Å; E102-R105 CarbonylContact C-O 3.48Å; E102-R105 VanDerWaalsContact CA-O 3.31Å; E102-R105 WeakPolarHBondContact CA-O 3.23Å; E102-R105 HydrophobicContact CB-CG 4.39Å; E102-R105 VanDerWaalsContact CB-O 3.24Å; E102-R105 WeakPolarHBondContact CB-O 3.15Å; E102-R105 PolarHBondContact N-O 2.92Å; E102-R105 PolarHBondContact O-N 3.27Å; E102-R105 VanDerWaalsContact O-O 3.09Å; E102-R105 IonicContact OE2-CZ 2.73Å; E102-R105 IonicContact OE2-NE 3.78Å; E102-R105 PolarHBondContact OE2-NE 2.79Å; E102-R105 IonicContact OE2-NH2 2.72Å; E102-R105 PolarHBondContact OE2-NH2 3.26Å
103	L	80.2	Confident	86.2	Confident	188 Å²	188	63.6 Å²	63.6	98%	0.984	33%	0.325	S	S	*	.	S	Bend	trans	-54.2	-31.7	-178.8	-78	156.4	0	0	0	113.6
104	I	79.6	Confident	85.9	Confident	158 Å²	158	64.3 Å²	64.3	81%	0.81	33%	0.333	S	S	*	.	S	Bend	trans	-106.3	-21.7	-174.8	60.9	170.7	0	0	0	113.7	E102	E102-I104 PolarHBondContact O-N 3.44Å; E102-I104 VanDerWaalsContact O-N 3.07Å
105	R	79.2	Confident	85.6	Confident	132 Å²	132	65.3 Å²	65.3	50%	0.498	33%	0.334	S	S	.	.			trans	-155.8	143.6	-174.3	70.9	-176.8	-172.5	160.1	5.6	109.9	E102	E102-R105 CarbonylContact C-O 3.48Å; E102-R105 VanDerWaalsContact CA-O 3.31Å; E102-R105 WeakPolarHBondContact CA-O 3.23Å; E102-R105 HydrophobicContact CB-CG 4.39Å; E102-R105 VanDerWaalsContact CB-O 3.24Å; E102-R105 WeakPolarHBondContact CB-O 3.15Å; E102-R105 PolarHBondContact N-O 2.92Å; E102-R105 PolarHBondContact O-N 3.27Å; E102-R105 VanDerWaalsContact O-O 3.09Å; E102-R105 IonicContact OE2-CZ 2.73Å; E102-R105 IonicContact OE2-NE 3.78Å; E102-R105 PolarHBondContact OE2-NE 2.79Å; E102-R105 IonicContact OE2-NH2 2.72Å; E102-R105 PolarHBondContact OE2-NH2 3.26Å
106	S	84.5	Confident	85	Confident	58 Å²	58	66.1 Å²	66.1	41%	0.406	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.4	169.4	-52.5	0	0	0	0	108.8	Y99 R100 E101	Y99-S106 WeakPolarHBondContact OH-CB 3.48Å; R100-S106 CarbonylContact O-C 3.56Å; R100-S106 WeakPolarHBondContact O-CA 3.19Å; E101-S106 WeakPolarHBondContact CA-OG 3.29Å
107	A	86.7	Confident	83.8	Confident	48 Å²	48	70.2 Å²	70.2	40%	0.397	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.2	-174.8	0	0	0	0	0	111.2	R100	R100-A107 PolarHBondContact N-O 3.24Å; R100-A107 PolarHBondContact O-N 2.85Å
108	F	89.7	Confident	82.4	Confident	27 Å²	27	77 Å²	77	12%	0.118	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	146.1	163.4	-63.5	-78.4	0	0	0	109.4	R34 L35 I38 L45 F61 Y99	R34-F108 HydrophobicContact CG-CZ 4.28Å; L35-F108 HydrophobicContact CD1-CZ 4.27Å; I38-F108 HydrophobicContact CD1-CE2 3.57Å; I38-F108 HydrophobicContact CD1-CZ 3.55Å; L45-F108 HydrophobicContact CD1-CD2 3.91Å; L45-F108 HydrophobicContact CD1-CE2 3.95Å; L45-F108 HydrophobicContact CD1-CG 4.3Å; L45-F108 HydrophobicContact CD1-CZ 4.38Å; L45-F108 HydrophobicContact CD2-CD1 3.79Å; L45-F108 HydrophobicContact CD2-CD2 4.41Å; L45-F108 HydrophobicContact CD2-CE1 4Å; L45-F108 HydrophobicContact CD2-CG 4.01Å; L45-F108 HydrophobicContact CD2-CZ 4.4Å; F61-F108 HydrophobicContact CB-CB 4.17Å; F61-F108 HydrophobicContact CB-CD2 4.45Å; F61-F108 HydrophobicContact CD1-CB 3.52Å; F61-F108 HydrophobicContact CD1-CG 4.35Å; F61-F108 HydrophobicContact CD2-CB 4.02Å; F61-F108 HydrophobicContact CE1-CB 3.8Å; F61-F108 HydrophobicContact CE2-CB 4.26Å; F61-F108 VanDerWaalsContact CE2-O 3.31Å; F61-F108 WeakPolarHBondContact CE2-O 3.49Å; F61-F108 HydrophobicContact CG-CB 3.63Å; F61-F108 HydrophobicContact CZ-CB 4.16Å; Y99-F108 AromaticContact CD2-CD1 3.66Å; Y99-F108 HydrophobicContact CD2-CD1 3.66Å; Y99-F108 HydrophobicContact CD2-CD2 4.2Å; Y99-F108 AromaticContact CD2-CE1 3.66Å; Y99-F108 HydrophobicContact CD2-CE1 3.66Å; Y99-F108 HydrophobicContact CD2-CE2 4.2Å; Y99-F108 AromaticContact CD2-CG 3.94Å; Y99-F108 HydrophobicContact CD2-CG 3.94Å; Y99-F108 AromaticContact CD2-CZ 3.94Å; Y99-F108 HydrophobicContact CD2-CZ 3.94Å; Y99-F108 HydrophobicContact CE2-CD2 4.46Å; Y99-F108 HydrophobicContact CE2-CE1 4.44Å; Y99-F108 HydrophobicContact CE2-CE2 4.29Å; Y99-F108 HydrophobicContact CE2-CZ 4.28Å; Y99-F108 HydrophobicContact CG-CD1 4.29Å; Y99-F108 HydrophobicContact CG-CE1 4.19Å
109	R	88.2	Confident	80.9	Confident	38 Å²	38	79.1 Å²	79.1	14%	0.143	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	161.1	-178.8	66.3	-176.7	-156.6	126.2	15.3	110.3	D98 R100 E111	D98-R109 HydrophobicContact CB-CG 4.33Å; D98-R109 PolarHBondContact N-O 2.88Å; D98-R109 PolarHBondContact O-N 3.44Å; D98-R109 VanDerWaalsContact O-O 3.05Å; D98-R109 IonicContact OD2-CZ 2.72Å; D98-R109 IonicContact OD2-NE 3.59Å; D98-R109 PolarHBondContact OD2-NE 3.07Å; D98-R109 IonicContact OD2-NH2 3.59Å; R100-R109 VanDerWaalsContact CG-NE 3.26Å; R100-R109 VanDerWaalsContact NE-NH1 3.16Å; R109-E111 IonicContact NH2-OE2 3.41Å; R109-E111 PolarHBondContact NH2-OE2 2.91Å
110	I	87.9	Confident	79.4	Confident	15 Å²	15	80.6 Å²	80.6	8%	0.077	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.1	170.2	-52.6	-55.9	0	0	0	108.2	Y59 F61 L92 A95 T96 V97 T112 N113	Y59-I110 HydrophobicContact CD1-CG1 3.81Å; Y59-I110 HydrophobicContact CD2-CB 4.24Å; Y59-I110 HydrophobicContact CD2-CG1 3.71Å; Y59-I110 HydrophobicContact CE1-CG1 3.82Å; Y59-I110 HydrophobicContact CE2-CB 3.88Å; Y59-I110 HydrophobicContact CE2-CG1 3.7Å; Y59-I110 HydrophobicContact CG-CG1 3.76Å; F61-I110 HydrophobicContact CE1-CD1 4.21Å; F61-I110 HydrophobicContact CZ-CD1 3.97Å; F61-I110 HydrophobicContact CZ-CG1 4.17Å; L92-I110 HydrophobicContact CD2-CD1 3.85Å; L92-I110 HydrophobicContact CD2-CG1 4.01Å; A95-I110 HydrophobicContact CB-CG2 3.92Å; T96-I110 CarbonylContact O-C 3.56Å; V97-I110 HydrophobicContact CB-CD1 4.28Å; V97-I110 HydrophobicContact CG1-CD1 4.29Å; V97-I110 HydrophobicContact CG2-CD1 3.72Å; I110-T112 WeakPolarHBondContact CG2-O 3.42Å; I110-N113 HydrophobicContact CG2-CB 3.87Å
111	E	85.1	Confident	77.9	Confident	93 Å²	93	81 Å²	81	44%	0.435	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-38.6	-179.5	177.4	163.9	94.6	0	0	112	T96 D98 R109	T96-E111 PolarHBondContact O-N 3.26Å; D98-E111 HydrophobicContact CB-CB 3.88Å; R109-E111 IonicContact NH2-OE2 3.41Å; R109-E111 PolarHBondContact NH2-OE2 2.91Å
112	T	84.7	Confident	76.5	Confident	80 Å²	80	78.3 Å²	78.3	49%	0.491	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.7	178.4	-60.8	0	0	0	0	108.5	A95 T96 I110	A95-T112 CarbonylContact C-O 3.59Å; A95-T112 WeakPolarHBondContact CA-O 3.47Å; T96-T112 PolarHBondContact N-O 3.09Å; I110-T112 WeakPolarHBondContact CG2-O 3.42Å
113	N	85	Confident	75.6	Confident	22 Å²	22	74.9 Å²	74.9	12%	0.118	43%	0.427	C	S	.	.			trans	-136.8	114.1	172.2	-176.9	-7.4	0	0	0	109.1	Y59 F91 A95 I110 V115 A116	Y59-N113 PolarHBondContact OH-ND2 3.31Å; F91-N113 PolarHBondContact O-ND2 2.84Å; F91-N113 PolarHBondContact O-OD1 2.82Å; A95-N113 HydrophobicContact CB-CB 4.14Å; I110-N113 HydrophobicContact CG2-CB 3.87Å; N113-V115 VanDerWaalsContact C-N 3.26Å; N113-V115 PolarHBondContact O-N 3.08Å; N113-V115 WeakPolarHBondContact OD1-CB 3.47Å; N113-V115 PolarHBondContact OD1-N 3.43Å; N113-A116 HydrophobicContact CB-CB 3.9Å; N113-A116 PolarHBondContact O-N 3.27Å
114	P	82.3	Confident	74.6	Confident	78 Å²	78	68 Å²	68	51%	0.506	40%	0.397	S	S	.	.	S	Bend	trans	-69.7	-22.3	179.8	29.6	-35	0	0	0	113.4	N93	N93-P114 VanDerWaalsContact O-CG 3.22Å; N93-P114 WeakPolarHBondContact O-CG 3.23Å
115	V	81.4	Confident	73.7	Confident	45 Å²	45	61.1 Å²	61.1	27%	0.273	36%	0.363	S	S	.	.	S	Bend	trans	-79.8	-29.8	179.4	-176.2	0	0	0	0	111.7	N93 N113 K129	N93-V115 HydrophobicContact CB-CG2 4.38Å; N93-V115 WeakPolarHBondContact O-CG2 3.46Å; N113-V115 VanDerWaalsContact C-N 3.26Å; N113-V115 PolarHBondContact O-N 3.08Å; N113-V115 WeakPolarHBondContact OD1-CB 3.47Å; N113-V115 PolarHBondContact OD1-N 3.43Å; V115-K129 PolarHBondContact O-N 2.84Å
116	A	76.5	Confident	73	Confident	16 Å²	16	54.9 Å²	54.9	13%	0.132	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.8	178.1	0	0	0	0	0	111.5	N113 F126 S127	N113-A116 HydrophobicContact CB-CB 3.9Å; N113-A116 PolarHBondContact O-N 3.27Å; A116-F126 HydrophobicContact CB-CB 4.17Å; A116-F126 HydrophobicContact CB-CD2 3.45Å; A116-F126 VanDerWaalsContact CB-CD2 3.45Å; A116-F126 HydrophobicContact CB-CE2 4.18Å; A116-F126 HydrophobicContact CB-CG 4.13Å; A116-S127 CarbonylContact C-O 3.55Å
117	K	66.4	Low	71.8	Confident	118 Å²	118	54 Å²	54	51%	0.513	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-50.1	170.9	-91.7	-177.1	175.6	150.4	0	110.6	S127 V128 K129 E130	K117-S127 PolarHBondContact N-O 3.35Å; K117-V128 WeakPolarHBondContact CD-O 2.97Å; K117-K129 HydrophobicContact CB-CG 4.09Å; K117-K129 HydrophobicContact CD-CB 4.22Å; K117-K129 HydrophobicContact CD-CG 3.83Å; K117-K129 HydrophobicContact CG-CB 3.81Å; K117-K129 HydrophobicContact CG-CD 4.12Å; K117-K129 HydrophobicContact CG-CG 3.02Å; K117-E130 PolarHBondContact NZ-O 2.77Å
118	Q	62.3	Low	70.6	Confident	144 Å²	144	52.9 Å²	52.9	67%	0.673	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.4	116.9	-166.6	-165.6	165.7	62.5	0	0	107.9	F126 S127	Q118-F126 WeakPolarHBondContact O-CA 3.36Å; Q118-S127 PolarHBondContact O-N 2.9Å
119	G	59.9	Low	69.1	Low	54 Å²	54	57.4 Å²	57.4	56%	0.557	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.4	168.2	0	0	0	0	0	109.7
120	C	56.6	Low	67.6	Low	45 Å²	45	62.7 Å²	62.7	30%	0.304	37%	0.368	S	S	.	.			trans	-63.9	144.5	166.6	-173.8	0	0	0	0	109.1	C122 G123 S125	C120-C122 PolarHBondContact O-N 2.77Å; C120-C122 PolarHBondContact SG-SG 2.59Å; C120-G123 PolarHBondContact O-N 3.35Å; C120-S125 VanDerWaalsContact CB-O 3.23Å; C120-S125 WeakPolarHBondContact CB-O 3.29Å; C120-S125 PolarHBondContact N-O 3.4Å
121	S	55.7	Low	65.7	Low	132 Å²	132	69.2 Å²	69.2	92%	0.923	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.9	-177.9	55.3	0	0	0	0	113.8
122	C	54.8	Low	63.8	Low	64 Å²	64	69.9 Å²	69.9	43%	0.432	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.4	175.5	67.4	0	0	0	0	114.3	C120 A124	C120-C122 PolarHBondContact O-N 2.77Å; C120-C122 PolarHBondContact SG-SG 2.59Å; C122-A124 PolarHBondContact O-N 3.19Å
123	G	60.3	Low	61.6	Low	18 Å²	18	77.8 Å²	77.8	19%	0.186	46%	0.456	C	S	.	.	S	Bend	trans	72.9	2.1	178.5	0	0	0	0	0	116	C120	C120-G123 PolarHBondContact O-N 3.35Å
124	A	60.2	Low	60.5	Low	43 Å²	43	80.6 Å²	80.6	36%	0.355	47%	0.473	S	S	.	.	S	Bend	trans	-91.6	-24.2	-178.2	0	0	0	0	0	113.6	Y59 C122	Y59-A124 PolarHBondContact N-O 2.83Å; C122-A124 PolarHBondContact O-N 3.19Å
125	S	60.4	Low	59.3	Low	13 Å²	13	80.7 Å²	80.7	9%	0.091	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.3	-175.1	-43	0	0	0	0	111.7	Y57 C120	Y57-S125 CarbonylContact O-C 3.52Å; Y57-S125 WeakPolarHBondContact O-CA 3.33Å; Y57-S125 VanDerWaalsContact O-CB 3.31Å; Y57-S125 WeakPolarHBondContact O-CB 3.26Å; C120-S125 VanDerWaalsContact CB-O 3.23Å; C120-S125 WeakPolarHBondContact CB-O 3.29Å; C120-S125 PolarHBondContact N-O 3.4Å
126	F	64.2	Low	58.1	Low	2 Å²	2	82.7 Å²	82.7	1%	0.009	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	165.4	-177.9	70.1	-72.5	0	0	0	112.2	V49 S55 Y57 Y59 F91 A116 Q118 V128	V49-F126 HydrophobicContact CG1-CE1 4.04Å; V49-F126 HydrophobicContact CG1-CZ 3.81Å; V49-F126 HydrophobicContact CG2-CZ 4.4Å; S55-F126 CarbonylContact C-O 3.56Å; S55-F126 VanDerWaalsContact O-O 3.05Å; Y57-F126 VanDerWaalsContact CB-CE1 3.44Å; Y57-F126 HydrophobicContact CG-CE1 4.48Å; Y57-F126 HydrophobicContact CG-CZ 4.26Å; Y57-F126 PolarHBondContact N-O 2.98Å; Y57-F126 VanDerWaalsContact N-O 3.1Å; Y57-F126 PolarHBondContact O-N 3.06Å; Y59-F126 HydrophobicContact CD1-CD1 4.49Å; Y59-F126 AromaticContact CD1-CE1 3.83Å; Y59-F126 HydrophobicContact CD1-CE1 3.83Å; Y59-F126 AromaticContact CD2-CD1 3.92Å; Y59-F126 HydrophobicContact CD2-CD1 3.92Å; Y59-F126 HydrophobicContact CD2-CE1 4.08Å; Y59-F126 AromaticContact CE1-CD1 3.85Å; Y59-F126 HydrophobicContact CE1-CD1 3.85Å; Y59-F126 AromaticContact CE1-CE1 3.19Å; Y59-F126 HydrophobicContact CE1-CE1 3.19Å; Y59-F126 AromaticContact CE1-CZ 3.61Å; Y59-F126 HydrophobicContact CE1-CZ 3.61Å; Y59-F126 HydrophobicContact CE2-CB 4.48Å; Y59-F126 AromaticContact CE2-CD1 3.19Å; Y59-F126 HydrophobicContact CE2-CD1 3.19Å; Y59-F126 AromaticContact CE2-CE1 3.5Å; Y59-F126 HydrophobicContact CE2-CE1 3.5Å; Y59-F126 VanDerWaalsContact CE2-CE1 3.5Å; Y59-F126 AromaticContact CE2-CG 3.97Å; Y59-F126 HydrophobicContact CE2-CG 3.97Å; Y59-F126 HydrophobicContact CE2-CZ 4.44Å; Y59-F126 HydrophobicContact CG-CE1 4.23Å; Y59-F126 AromaticContact CZ-CD1 3.15Å; Y59-F126 AromaticContact CZ-CE1 3.01Å; Y59-F126 AromaticContact CZ-CG 3.84Å; Y59-F126 AromaticContact CZ-CZ 3.57Å; Y59-F126 WeakPolarHBondContact OH-CD1 3.29Å; Y59-F126 WeakPolarHBondContact OH-CE1 3.24Å; Y59-F126 WeakPolarHBondContact OH-CG 3.2Å; Y59-F126 WeakPolarHBondContact OH-CZ 3.31Å; F91-F126 HydrophobicContact CB-CZ 4.27Å; A116-F126 HydrophobicContact CB-CB 4.17Å; A116-F126 HydrophobicContact CB-CD2 3.45Å; A116-F126 VanDerWaalsContact CB-CD2 3.45Å; A116-F126 HydrophobicContact CB-CE2 4.18Å; A116-F126 HydrophobicContact CB-CG 4.13Å; Q118-F126 WeakPolarHBondContact O-CA 3.36Å; F126-V128 HydrophobicContact CD2-CG1 4.18Å; F126-V128 HydrophobicContact CE2-CG1 3.58Å; F126-V128 HydrophobicContact CZ-CG1 4.42Å
127	S	60.5	Low	57	Low	40 Å²	40	86.6 Å²	86.6	28%	0.28	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.6	169.1	-53.8	0	0	0	0	110.4	S55 A116 K117 Q118	S55-S127 WeakPolarHBondContact O-CB 3.46Å; S55-S127 PolarHBondContact O-OG 2.84Å; A116-S127 CarbonylContact C-O 3.55Å; K117-S127 PolarHBondContact N-O 3.35Å; Q118-S127 PolarHBondContact O-N 2.9Å
128	V	60.9	Low	56.4	Low	23 Å²	23	84.6 Å²	84.6	14%	0.139	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	154.1	-179	-64	0	0	0	0	112.2	Y57 F91 K117 F126 E130	Y57-V128 HydrophobicContact CD2-CB 4.49Å; Y57-V128 HydrophobicContact CD2-CG1 3.69Å; Y57-V128 HydrophobicContact CD2-CG2 4.24Å; Y57-V128 HydrophobicContact CE2-CB 4.14Å; Y57-V128 HydrophobicContact CE2-CG1 3.66Å; Y57-V128 HydrophobicContact CE2-CG2 3.47Å; Y57-V128 VanDerWaalsContact CE2-CG2 3.47Å; Y57-V128 HydrophobicContact CG-CG1 4.34Å; F91-V128 HydrophobicContact CD1-CG1 3.54Å; F91-V128 HydrophobicContact CE1-CG1 3.75Å; K117-V128 WeakPolarHBondContact CD-O 2.97Å; F126-V128 HydrophobicContact CD2-CG1 4.18Å; F126-V128 HydrophobicContact CE2-CG1 3.58Å; F126-V128 HydrophobicContact CZ-CG1 4.42Å; V128-E130 VanDerWaalsContact C-N 3.33Å; V128-E130 PolarHBondContact O-N 2.86Å
129	K	58.8	Low	56	Low	122 Å²	122	80.7 Å²	80.7	53%	0.53	49%	0.49	S	S	.	.			trans	-71.3	91.2	166.2	-72	-179.4	176.6	175.1	0	108.8	V115 K117 D131	V115-K129 PolarHBondContact O-N 2.84Å; K117-K129 HydrophobicContact CB-CG 4.09Å; K117-K129 HydrophobicContact CD-CB 4.22Å; K117-K129 HydrophobicContact CD-CG 3.83Å; K117-K129 HydrophobicContact CG-CB 3.81Å; K117-K129 HydrophobicContact CG-CD 4.12Å; K117-K129 HydrophobicContact CG-CG 3.02Å; K129-D131 VanDerWaalsContact C-N 3.33Å; K129-D131 PolarHBondContact O-N 2.83Å
130	E	54.9	Low	55.8	Low	150 Å²	150	82.6 Å²	82.6	70%	0.701	49%	0.485	S	S	*	.			trans	-61.2	106.6	153.8	-74	-175.5	100.7	0	0	106.5	K117 V128 S132	K117-E130 PolarHBondContact NZ-O 2.77Å; V128-E130 VanDerWaalsContact C-N 3.33Å; V128-E130 PolarHBondContact O-N 2.86Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-S132 PolarHBondContact O-N 3.34Å
131	D	48	Very low	55.7	Low	151 Å²	151	85.5 Å²	85.5	81%	0.807	50%	0.499	S	S	*	.			trans	-70.9	96.8	161.8	-121.1	-97.5	0	0	0	105.2	K129 L133	K129-D131 VanDerWaalsContact C-N 3.33Å; K129-D131 PolarHBondContact O-N 2.83Å; D131-L133 PolarHBondContact O-N 3.07Å; D131-L133 VanDerWaalsContact O-N 3.17Å
132	S	45.6	Very low	55.7	Low	108 Å²	108	81.6 Å²	81.6	76%	0.755	46%	0.464	S	S	*	.			trans	-67.3	108.5	169.2	-56.2	0	0	0	0	107.3	E130	E130-S132 VanDerWaalsContact C-N 3.33Å; E130-S132 PolarHBondContact O-N 3.34Å
133	L	39.7	Very low	55.8	Low	245 Å²	245	83.2 Å²	83.2	100%	1.283	47%	0.467	S	S	*	.			trans	-54	0	160.3	-90.8	157.1	0	0	0	111.1	D131	D131-L133 PolarHBondContact O-N 3.07Å; D131-L133 VanDerWaalsContact O-N 3.17Å

Retrieved 133 of 133 residues in 66 ms (Link to these results)

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