A0A096NUJ9_PAPAN 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 (A0A2K6P5Q3), UniProt , Accession A0A096NUJ9, Species PAPAN (Papio anubis, Olive baboon), Gene ISCA2, Length 154 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	41	Very low	41.4	Very low	240 Å²	240	131.9 Å²	131.9	100%	1.182	82%	0.82	S	S	*	*				0	95.4	0	-67.8	179.7	-174.6	0	0	106.3
2	A	38.9	Very low	41.7	Very low	93 Å²	93	127.3 Å²	127.3	77%	0.769	80%	0.804	S	S	*	*				68.3	104	90.7	0	0	0	0	0	110.1
3	A	38.6	Very low	42.3	Very low	103 Å²	103	126 Å²	126	85%	0.851	80%	0.795	S	S	*	*				81.7	142.2	100.9	0	0	0	0	0	110.4
4	A	40.9	Very low	43.4	Very low	85 Å²	85	129.4 Å²	129.4	70%	0.702	80%	0.796	S	S	*	*			cis	-161.9	138.9	29.6	0	0	0	0	0	106.2
5	R	44.5	Very low	44.1	Very low	239 Å²	239	137.5 Å²	137.5	90%	0.902	81%	0.806	S	S	*	*				47.5	121.6	85.9	-60.4	-177.1	74.5	-177.8	3.5	114.1
6	G	38.7	Very low	44.6	Very low	75 Å²	75	135.3 Å²	135.3	77%	0.773	81%	0.809	S	S	*	*			trans	178.6	58.3	163.9	0	0	0	0	0	111
7	L	44.1	Very low	45.1	Very low	133 Å²	133	134.8 Å²	134.8	70%	0.696	81%	0.806	S	S	*	*				-6.6	123.8	114.8	-91.8	83.6	0	0	0	116.1	L9	L7-L9 HydrophobicContact CD2-CD1 4.18Å
8	S	40.1	Very low	45.4	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	80%	0.803	S	S	*	*				-170.4	108.3	122.9	-78.2	0	0	0	0	106.8
9	L	46.8	Very low	45.8	Very low	140 Å²	140	132.7 Å²	132.7	73%	0.733	80%	0.797	S	S	*	*				39.8	112.5	77.1	-87.6	148.2	0	0	0	111.9	L7	L7-L9 HydrophobicContact CD2-CD1 4.18Å
10	T	41.9	Very low	45.7	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	81%	0.806	S	S	*	*				-178	130.5	115.7	42.9	0	0	0	0	111.1
11	A	39.6	Very low	45.9	Very low	99 Å²	99	137.9 Å²	137.9	82%	0.818	80%	0.804	S	S	*	*			trans	66.4	151.3	135	0	0	0	0	0	116.8
12	A	45.7	Very low	46.9	Very low	76 Å²	76	138.5 Å²	138.5	63%	0.628	79%	0.794	S	S	*	*			cis	-160.2	144.9	11	0	0	0	0	0	105.2
13	T	49.1	Very low	47.4	Very low	111 Å²	111	137.4 Å²	137.4	68%	0.681	79%	0.791	S	S	*	*				53.7	109.2	108.1	-135.7	0	0	0	0	112.6
14	Q	57.1	Low	48.3	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	79%	0.793	S	S	*	*				-175.5	143.2	77.9	-87.7	145.3	123.5	0	0	111.5
15	R	54.6	Low	48.7	Very low	251 Å²	251	146.4 Å²	146.4	95%	0.947	80%	0.795	S	S	*	*			trans	-59.6	132.5	156.9	-69.9	161.6	84.1	170.2	4.9	108.6
16	A	52.6	Low	49	Very low	103 Å²	103	142.7 Å²	142.7	85%	0.851	79%	0.792	S	S	*	*			trans	-142.3	135.9	153.8	0	0	0	0	0	109.3
17	V	52.5	Low	49.2	Very low	127 Å²	127	143.8 Å²	143.8	77%	0.77	79%	0.793	S	S	*	*			trans	-104.2	163.8	-167.3	60.7	0	0	0	0	109.5
18	T	51.1	Low	49.2	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	80%	0.795	S	S	*	*			trans	83.4	162.7	162.4	71.8	0	0	0	0	118.5
19	P	52.9	Low	49.9	Very low	107 Å²	107	141.8 Å²	141.8	70%	0.695	80%	0.796	S	S	*	*			cis	-120.2	164.1	-40.2	29.6	-14.1	0	0	0	110.8	P21	P19-P21 WeakPolarHBondContact O-CD 3.38Å
20	W	43.1	Very low	50.1	Low	256 Å²	256	143.2 Å²	143.2	97%	0.97	80%	0.803	S	S	*	*			trans	-75.9	121.2	172.1	-81.5	11.5	0	0	0	111.9
21	P	51	Low	50.4	Low	119 Å²	119	140.3 Å²	140.3	77%	0.773	80%	0.8	S	S	*	*			trans	-86.8	115.6	153.9	30	-30.7	0	0	0	110.3	P19 G23	P19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-G23 PolarHBondContact O-N 3.31Å; P21-G23 VanDerWaalsContact O-N 3.14Å
22	R	60.7	Low	50.9	Low	253 Å²	253	144 Å²	144	96%	0.955	81%	0.805	S	S	*	*			trans	-58.2	109.3	160.5	-77.2	174.2	156.2	166	-6.2	108.3
23	G	50.3	Low	51.2	Low	69 Å²	69	148.9 Å²	148.9	71%	0.711	81%	0.814	S	S	*	*			trans	-157.1	81.7	179.5	0	0	0	0	0	110.5	P21	P21-G23 PolarHBondContact O-N 3.31Å; P21-G23 VanDerWaalsContact O-N 3.14Å
24	R	57.1	Low	51.1	Low	237 Å²	237	147.2 Å²	147.2	89%	0.894	81%	0.812	S	S	*	*			trans	-52.3	133.6	163.9	-162.9	179.3	-164.3	-144.8	4.4	107.9
25	L	49	Very low	50.7	Low	141 Å²	141	148.4 Å²	148.4	74%	0.738	81%	0.809	S	S	*	*				166.2	116.5	128.9	-82	160	0	0	0	110.7
26	L	51.8	Low	50.6	Low	160 Å²	160	147.5 Å²	147.5	84%	0.838	81%	0.806	S	S	*	*			trans	40	110.7	133.4	-55.2	168.5	0	0	0	117.9
27	A	42.8	Very low	50.5	Low	98 Å²	98	149.5 Å²	149.5	81%	0.81	80%	0.798	S	S	*	*				174.7	135.6	116.7	0	0	0	0	0	112
28	A	44.3	Very low	50.1	Low	88 Å²	88	147.1 Å²	147.1	73%	0.727	79%	0.791	S	S	*	*			trans	53.8	86.3	145.1	0	0	0	0	0	117.7	L30	A28-L30 PolarHBondContact O-N 3.39Å
29	S	53.2	Low	49.9	Very low	116 Å²	116	147 Å²	147	81%	0.811	80%	0.795	S	S	*	*			trans	-46.4	118.4	146.2	44	0	0	0	0	111.7
30	L	51.5	Low	49.2	Very low	170 Å²	170	146.1 Å²	146.1	89%	0.89	79%	0.792	S	S	*	*			trans	-154.6	85.5	153	-98.9	139.5	0	0	0	108.3	A28 L32	A28-L30 PolarHBondContact O-N 3.39Å; L30-L32 PolarHBondContact O-N 2.96Å
31	G	47.6	Very low	49.4	Very low	71 Å²	71	139.3 Å²	139.3	73%	0.732	78%	0.783	S	S	*	*			trans	-67.7	116.2	170.7	0	0	0	0	0	110.1	Q33	G31-Q33 VanDerWaalsContact C-N 3.28Å; G31-Q33 PolarHBondContact O-N 2.96Å
32	L	50.5	Low	49	Very low	177 Å²	177	137.6 Å²	137.6	93%	0.927	77%	0.774	S	S	*	*			trans	-72.4	86.9	165	-167.1	75.3	0	0	0	107.7	L30 A34	L30-L32 PolarHBondContact O-N 2.96Å; L32-A34 PolarHBondContact O-N 2.73Å
33	Q	53.1	Low	48.5	Very low	177 Å²	177	131 Å²	131	83%	0.827	76%	0.764	S	S	*	*			trans	-71.7	123.7	176	-76.7	-137.6	10.8	0	0	111.1	G31	G31-Q33 VanDerWaalsContact C-N 3.28Å; G31-Q33 PolarHBondContact O-N 2.96Å
34	A	45.7	Very low	48	Very low	77 Å²	77	136.6 Å²	136.6	64%	0.636	77%	0.771	S	S	*	*			trans	35.4	92.5	132.6	0	0	0	0	0	116.6	L32 R36	L32-A34 PolarHBondContact O-N 2.73Å; A34-R36 PolarHBondContact O-N 2.97Å
35	R	49.8	Very low	47.5	Very low	198 Å²	198	130 Å²	130	75%	0.747	77%	0.768	S	S	*	*			trans	-72.8	75.2	161.1	-155.2	172.2	167.8	-81.2	-13.4	108.9	E37	R35-E37 VanDerWaalsContact CZ-CD 3.48Å; R35-E37 IonicContact CZ-OE1 3.58Å; R35-E37 IonicContact CZ-OE2 3Å; R35-E37 IonicContact NH1-OE1 3.97Å; R35-E37 PolarHBondContact NH1-OE1 3.33Å; R35-E37 IonicContact NH1-OE2 3.96Å; R35-E37 PolarHBondContact NH1-OE2 3.2Å; R35-E37 IonicContact NH2-OE1 2.68Å; R35-E37 PolarHBondContact NH2-OE1 3.2Å; R35-E37 IonicContact NH2-OE2 2.81Å; R35-E37 PolarHBondContact O-N 2.68Å
36	R	52.6	Low	47.6	Very low	232 Å²	232	126.2 Å²	126.2	88%	0.875	76%	0.763	S	S	*	*			trans	-79	97.9	159.6	-87.1	-174.4	177.8	-150.7	-0.4	106.9	A34 A38	A34-R36 PolarHBondContact O-N 2.97Å; R36-A38 PolarHBondContact O-N 3.08Å
37	E	50.5	Low	47.2	Very low	145 Å²	145	125.9 Å²	125.9	68%	0.678	76%	0.757	S	S	*	*			trans	-67	81.1	160.1	-76.3	172.2	118	0	0	108.1	R35 S39	R35-E37 VanDerWaalsContact CZ-CD 3.48Å; R35-E37 IonicContact CZ-OE1 3.58Å; R35-E37 IonicContact CZ-OE2 3Å; R35-E37 IonicContact NH1-OE1 3.97Å; R35-E37 PolarHBondContact NH1-OE1 3.33Å; R35-E37 IonicContact NH1-OE2 3.96Å; R35-E37 PolarHBondContact NH1-OE2 3.2Å; R35-E37 IonicContact NH2-OE1 2.68Å; R35-E37 PolarHBondContact NH2-OE1 3.2Å; R35-E37 IonicContact NH2-OE2 2.81Å; R35-E37 PolarHBondContact O-N 2.68Å; E37-S39 PolarHBondContact O-N 2.94Å
38	A	43.4	Very low	48	Very low	77 Å²	77	121.3 Å²	121.3	64%	0.636	72%	0.719	S	S	*	*			trans	-74.6	103.5	152.2	0	0	0	0	0	105.6	R36 S40	R36-A38 PolarHBondContact O-N 3.08Å; A38-S40 PolarHBondContact O-N 2.63Å
39	S	47.6	Very low	49.4	Very low	119 Å²	119	122.6 Å²	122.6	83%	0.832	71%	0.71	S	S	*	*			trans	-63	86.3	161.9	-167.5	0	0	0	0	106.7	E37 S41	E37-S39 PolarHBondContact O-N 2.94Å; S39-S41 VanDerWaalsContact C-N 3.34Å; S39-S41 PolarHBondContact O-N 3.18Å
40	S	38	Very low	51	Low	88 Å²	88	117.6 Å²	117.6	62%	0.615	67%	0.674	S	S	*	*			trans	-78.2	90.8	167.9	-63.9	0	0	0	0	106.4	A38 S42	A38-S40 PolarHBondContact O-N 2.63Å; S40-S42 PolarHBondContact O-N 3.23Å
41	S	46.4	Very low	52.8	Low	114 Å²	114	116.1 Å²	116.1	80%	0.797	66%	0.657	S	S	*	*			trans	-67.7	70.2	149.7	56.4	0	0	0	0	107.4	S39	S39-S41 VanDerWaalsContact C-N 3.34Å; S39-S41 PolarHBondContact O-N 3.18Å
42	S	43.1	Very low	54.8	Low	82 Å²	82	113.3 Å²	113.3	57%	0.573	63%	0.625	S	S	*	*			trans	-70.5	126.1	163.9	-68.5	0	0	0	0	105.8	S40 E44	S40-S42 PolarHBondContact O-N 3.23Å; S42-E44 PolarHBondContact O-N 3.38Å
43	P	49.7	Very low	56.8	Low	115 Å²	115	105.8 Å²	105.8	75%	0.747	59%	0.586	S	S	*	*			trans	-57.4	137.7	166.2	28.2	-31.8	0	0	0	106.2	A45	P43-A45 PolarHBondContact O-N 3.39Å
44	E	41.1	Very low	58.7	Low	186 Å²	186	103.5 Å²	103.5	87%	0.869	58%	0.58	S	S	*	*			trans	-72.6	62.7	-170.9	-49.5	-155.8	114.8	0	0	110.9	S42 G46	S42-E44 PolarHBondContact O-N 3.38Å; E44-G46 PolarHBondContact O-N 3.02Å
45	A	46.4	Very low	60.9	Low	100 Å²	100	102.7 Å²	102.7	83%	0.826	57%	0.57	S	S	*	*			trans	-77.5	97.9	167.5	0	0	0	0	0	107	P43	P43-A45 PolarHBondContact O-N 3.39Å
46	G	50.4	Low	62.9	Low	60 Å²	60	93.3 Å²	93.3	62%	0.619	53%	0.534	S	S	*	.			trans	177.9	-14.2	169.1	0	0	0	0	0	120.7	E44	E44-G46 PolarHBondContact O-N 3.02Å
47	E	43.7	Very low	64.7	Low	154 Å²	154	83 Å²	83	72%	0.72	50%	0.497	S	S	*	.	S	Bend	trans	-111.2	78.4	-178.9	-65.4	-156.7	88.7	0	0	111.7	R97	E47-R97 PolarHBondContact O-NH1 2.88Å
48	G	59	Low	66.7	Low	2 Å²	2	81.8 Å²	81.8	2%	0.021	49%	0.491	C	S	.	.	S	Bend	trans	128.1	40.6	-178.9	0	0	0	0	0	113.7	I50 F99	G48-I50 PolarHBondContact O-N 2.89Å; G48-F99 WeakPolarHBondContact O-CE1 3.44Å; G48-F99 WeakPolarHBondContact O-CZ 3.39Å
49	Q	74.6	Confident	69	Low	114 Å²	114	81.4 Å²	81.4	53%	0.533	47%	0.473	S	S	.	.			trans	-60.7	105.8	-173.2	-171.8	172	62.3	0	0	111.5	R51 G118	Q49-R51 HydrophobicContact CG-CG 4.4Å; Q49-G118 WeakPolarHBondContact O-CA 3.33Å; Q49-G118 PolarHBondContact O-N 2.79Å
50	I	85.6	Confident	71	Confident	11 Å²	11	75.8 Å²	75.8	6%	0.056	43%	0.434	C	S	.	.			trans	-97.8	136.8	165	-59.3	175.9	0	0	0	106.9	G48 F99 V108 L113 V116 V121	G48-I50 PolarHBondContact O-N 2.89Å; I50-F99 HydrophobicContact CD1-CD2 4Å; I50-F99 HydrophobicContact CD1-CE2 3.74Å; I50-F99 HydrophobicContact CD1-CZ 4.23Å; I50-F99 HydrophobicContact CG1-CE2 4.36Å; I50-F99 HydrophobicContact CG1-CZ 4.43Å; I50-V108 HydrophobicContact CD1-CB 4.2Å; I50-V108 HydrophobicContact CD1-CG1 4.4Å; I50-V108 HydrophobicContact CD1-CG2 3.38Å; I50-L113 HydrophobicContact CD1-CD1 4.33Å; I50-V116 HydrophobicContact CD1-CB 4.41Å; I50-V116 HydrophobicContact CD1-CG2 3.54Å; I50-V116 HydrophobicContact CG1-CG2 4.27Å; I50-V121 HydrophobicContact CG2-CG2 3.78Å
51	R	89.9	Confident	73.5	Confident	140 Å²	140	75.9 Å²	75.9	53%	0.528	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.9	178.4	-63.6	-175.2	175.7	-169.3	-1.5	110.1	Q49 A119 Q120 V121	Q49-R51 HydrophobicContact CG-CG 4.4Å; R51-A119 PolarHBondContact N-O 2.92Å; R51-Q120 HydrophobicContact CB-CB 4.43Å; R51-Q120 HydrophobicContact CB-CG 4.27Å; R51-Q120 CarbonylContact O-C 3.58Å; R51-Q120 VanDerWaalsContact O-CA 3.25Å; R51-Q120 WeakPolarHBondContact O-CA 3.42Å; R51-V121 PolarHBondContact O-N 3.05Å
52	L	90.4	Very high	75.5	Confident	11 Å²	11	76.8 Å²	76.8	6%	0.058	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.9	174.6	-65.3	155	0	0	0	109.4	C56 V57 Q101 V106 V121	L52-C56 HydrophobicContact CD2-CB 4.48Å; L52-V57 HydrophobicContact CB-CG2 3.81Å; L52-Q101 HydrophobicContact CB-CB 4.35Å; L52-Q101 HydrophobicContact CD1-CB 3.6Å; L52-Q101 HydrophobicContact CG-CB 4.48Å; L52-Q101 PolarHBondContact O-NE2 2.78Å; L52-V106 HydrophobicContact CD1-CB 4.48Å; L52-V106 HydrophobicContact CD1-CG2 3.73Å; L52-V106 HydrophobicContact CD2-CG2 3.61Å; L52-V106 HydrophobicContact CG-CG2 4.28Å; L52-V121 HydrophobicContact CD2-CB 3.78Å; L52-V121 HydrophobicContact CD2-CG1 4.22Å; L52-V121 HydrophobicContact CD2-CG2 4.48Å
53	T	92.1	Very high	77.6	Confident	19 Å²	19	75 Å²	75	12%	0.117	40%	0.403	C	S	.	.			trans	-76.5	156.9	167.8	58.2	0	0	0	0	111.2	S55 C56 V57 Q120 V121 D122	T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 2.89Å; T53-C56 WeakPolarHBondContact O-CB 3.41Å; T53-C56 PolarHBondContact O-N 3.35Å; T53-C56 VanDerWaalsContact O-N 3.11Å; T53-C56 WeakPolarHBondContact OG1-CB 3.38Å; T53-C56 PolarHBondContact OG1-N 3.4Å; T53-V57 WeakPolarHBondContact O-CG2 3.46Å; T53-V57 PolarHBondContact O-N 3.02Å; T53-Q120 HydrophobicContact CG2-CG 4.07Å; T53-V121 PolarHBondContact N-O 2.84Å; T53-V121 PolarHBondContact OG1-O 3Å; T53-D122 VanDerWaalsContact CB-OD2 3.28Å; T53-D122 WeakPolarHBondContact CB-OD2 3.31Å; T53-D122 HydrophobicContact CG2-CB 3.93Å; T53-D122 VanDerWaalsContact CG2-OD2 3.26Å; T53-D122 WeakPolarHBondContact CG2-OD2 3.4Å; T53-D122 WeakPolarHBondContact OG1-CA 3.37Å; T53-D122 PolarHBondContact OG1-OD2 3.22Å
54	D	92	Very high	79.3	Confident	130 Å²	130	70.2 Å²	70.2	70%	0.695	37%	0.371	S	S	*	.	H	α-helix	trans	-54.6	-44.6	174	-117.4	-103.1	0	0	0	111.6	C56 V57 Q58	D54-C56 VanDerWaalsContact C-N 3.3Å; D54-C56 PolarHBondContact O-N 2.81Å; D54-V57 PolarHBondContact O-N 3.44Å; D54-Q58 WeakPolarHBondContact O-CB 3.46Å; D54-Q58 WeakPolarHBondContact O-CG 3.35Å; D54-Q58 PolarHBondContact O-N 3.37Å
55	S	92.2	Very high	81	Confident	60 Å²	60	70.3 Å²	70.3	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-40.6	177.2	-51.4	0	0	0	0	112.6	T53 R59	T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 2.89Å; S55-R59 WeakPolarHBondContact O-CB 3.31Å; S55-R59 PolarHBondContact O-N 2.69Å
56	C	91.5	Very high	82.3	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-67.2	-45.5	176.8	-175.5	0	0	0	0	111.3	L52 T53 D54 R59 L60 F123	L52-C56 HydrophobicContact CD2-CB 4.48Å; T53-C56 WeakPolarHBondContact O-CB 3.41Å; T53-C56 PolarHBondContact O-N 3.35Å; T53-C56 VanDerWaalsContact O-N 3.11Å; T53-C56 WeakPolarHBondContact OG1-CB 3.38Å; T53-C56 PolarHBondContact OG1-N 3.4Å; D54-C56 VanDerWaalsContact C-N 3.3Å; D54-C56 PolarHBondContact O-N 2.81Å; C56-R59 PolarHBondContact O-N 2.89Å; C56-L60 WeakPolarHBondContact O-CB 3.49Å; C56-L60 VanDerWaalsContact O-CG 3.29Å; C56-L60 WeakPolarHBondContact O-CG 3.43Å; C56-L60 PolarHBondContact O-N 3Å; C56-F123 HydrophobicContact CB-CB 4.13Å
57	V	91.9	Very high	83.7	Confident	15 Å²	15	69.4 Å²	69.4	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-50.2	178.2	174.7	0	0	0	0	110.7	L52 T53 D54 R59 L60 L61 G102 A104	L52-V57 HydrophobicContact CB-CG2 3.81Å; T53-V57 WeakPolarHBondContact O-CG2 3.46Å; T53-V57 PolarHBondContact O-N 3.02Å; D54-V57 PolarHBondContact O-N 3.44Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 2.83Å; V57-L60 PolarHBondContact O-N 2.85Å; V57-L61 HydrophobicContact CG1-CD1 3.99Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 VanDerWaalsContact O-CG 3.31Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 2.81Å; V57-G102 WeakPolarHBondContact CG1-O 3.12Å; V57-A104 HydrophobicContact CB-CB 4.3Å; V57-A104 HydrophobicContact CG1-CB 4Å; V57-A104 HydrophobicContact CG2-CB 4.27Å
58	Q	91.8	Very high	85.9	Confident	120 Å²	120	64.8 Å²	64.8	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-56.3	-47.9	177.5	-73.5	-169.6	-55.5	0	0	110.9	D54 L60 L61 E62	D54-Q58 WeakPolarHBondContact O-CB 3.46Å; D54-Q58 WeakPolarHBondContact O-CG 3.35Å; D54-Q58 PolarHBondContact O-N 3.37Å; Q58-L60 VanDerWaalsContact C-N 3.31Å; Q58-L60 PolarHBondContact O-N 3.33Å; Q58-L61 PolarHBondContact O-N 3.35Å; Q58-E62 WeakPolarHBondContact O-CG 3.44Å; Q58-E62 PolarHBondContact O-N 3.25Å
59	R	91.3	Very high	87.3	Confident	69 Å²	69	65 Å²	65	26%	0.26	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-39.5	179.8	-173.6	65.8	-175.5	146.1	3.7	112.5	S55 C56 V57 L61 E62 I63 F123 F132	S55-R59 WeakPolarHBondContact O-CB 3.31Å; S55-R59 PolarHBondContact O-N 2.69Å; C56-R59 PolarHBondContact O-N 2.89Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 2.83Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-E62 WeakPolarHBondContact CD-OE2 3.41Å; R59-E62 IonicContact CZ-OE2 3.5Å; R59-E62 IonicContact NH1-OE1 3.46Å; R59-E62 IonicContact NH1-OE2 3.44Å; R59-E62 PolarHBondContact NH1-OE2 3.18Å; R59-E62 WeakPolarHBondContact O-CB 3.46Å; R59-E62 PolarHBondContact O-N 2.83Å; R59-I63 HydrophobicContact CG-CG2 4.43Å; R59-I63 VanDerWaalsContact CZ-CG2 3.47Å; R59-I63 WeakPolarHBondContact O-CG1 3.45Å; R59-I63 WeakPolarHBondContact O-CG2 3.24Å; R59-I63 PolarHBondContact O-N 3.33Å; R59-F123 HydrophobicContact CB-CB 4.49Å; R59-F123 HydrophobicContact CB-CD1 3.65Å; R59-F123 HydrophobicContact CB-CD2 4.47Å; R59-F123 HydrophobicContact CB-CE1 3.88Å; R59-F123 HydrophobicContact CB-CG 3.95Å; R59-F123 HydrophobicContact CB-CZ 4.38Å; R59-F123 VanDerWaalsContact CD-CE1 3.47Å; R59-F123 HydrophobicContact CG-CD1 3.69Å; R59-F123 HydrophobicContact CG-CD2 4.01Å; R59-F123 HydrophobicContact CG-CE1 3.44Å; R59-F123 VanDerWaalsContact CG-CE1 3.44Å; R59-F123 HydrophobicContact CG-CE2 3.79Å; R59-F123 HydrophobicContact CG-CG 3.95Å; R59-F123 HydrophobicContact CG-CZ 3.48Å; R59-F123 VanDerWaalsContact CG-CZ 3.48Å; R59-F132 HydrophobicContact CG-CZ 4.38Å
60	L	90.2	Very high	88.1	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-40.8	177.5	-76.2	172.2	0	0	0	111.5	C56 V57 Q58 E62 I63 T64 L70 L88 A104 V106 F132	C56-L60 WeakPolarHBondContact O-CB 3.49Å; C56-L60 VanDerWaalsContact O-CG 3.29Å; C56-L60 WeakPolarHBondContact O-CG 3.43Å; C56-L60 PolarHBondContact O-N 3Å; V57-L60 PolarHBondContact O-N 2.85Å; Q58-L60 VanDerWaalsContact C-N 3.31Å; Q58-L60 PolarHBondContact O-N 3.33Å; L60-E62 VanDerWaalsContact C-N 3.27Å; L60-E62 PolarHBondContact O-N 2.74Å; L60-I63 HydrophobicContact CD2-CD1 3.97Å; L60-I63 HydrophobicContact CD2-CG1 4.39Å; L60-I63 PolarHBondContact O-N 3Å; L60-T64 VanDerWaalsContact O-CB 3.31Å; L60-T64 WeakPolarHBondContact O-CB 3.46Å; L60-T64 WeakPolarHBondContact O-CG2 3.29Å; L60-T64 PolarHBondContact O-N 3.11Å; L60-T64 PolarHBondContact O-OG1 3.28Å; L60-L70 HydrophobicContact CD1-CB 4.22Å; L60-L70 HydrophobicContact CD1-CD2 4.18Å; L60-L70 HydrophobicContact CD2-CB 3.64Å; L60-L70 HydrophobicContact CD2-CD1 4.16Å; L60-L70 HydrophobicContact CD2-CD2 4.15Å; L60-L70 HydrophobicContact CD2-CG 4.2Å; L60-L88 HydrophobicContact CD2-CD2 4.46Å; L60-A104 HydrophobicContact CB-CB 3.74Å; L60-A104 HydrophobicContact CD1-CB 3.83Å; L60-A104 HydrophobicContact CG-CB 4.44Å; L60-V106 HydrophobicContact CD1-CG2 3.94Å; L60-F132 HydrophobicContact CD2-CE1 4.3Å; L60-F132 HydrophobicContact CD2-CZ 4.15Å; L60-F132 HydrophobicContact CG-CE1 4.34Å
61	L	89.4	Confident	88.5	Confident	90 Å²	90	61 Å²	61	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-65	-30.8	174.6	-66.7	170.9	0	0	0	112.7	V57 Q58 R59	V57-L61 HydrophobicContact CG1-CD1 3.99Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 VanDerWaalsContact O-CG 3.31Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 2.81Å; Q58-L61 PolarHBondContact O-N 3.35Å; R59-L61 VanDerWaalsContact C-N 3.33Å
62	E	89.1	Confident	88.5	Confident	134 Å²	134	54.3 Å²	54.3	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-73.7	-37.5	175.4	-70.1	-177.9	111.3	0	0	113.3	Q58 R59 L60	Q58-E62 WeakPolarHBondContact O-CG 3.44Å; Q58-E62 PolarHBondContact O-N 3.25Å; R59-E62 WeakPolarHBondContact CD-OE2 3.41Å; R59-E62 IonicContact CZ-OE2 3.5Å; R59-E62 IonicContact NH1-OE1 3.46Å; R59-E62 IonicContact NH1-OE2 3.44Å; R59-E62 PolarHBondContact NH1-OE2 3.18Å; R59-E62 WeakPolarHBondContact O-CB 3.46Å; R59-E62 PolarHBondContact O-N 2.83Å; L60-E62 VanDerWaalsContact C-N 3.27Å; L60-E62 PolarHBondContact O-N 2.74Å
63	I	87.9	Confident	88.6	Confident	45 Å²	45	56 Å²	56	23%	0.231	30%	0.298	C	S	.	.	H	α-helix	trans	-92.3	-23.6	-175.4	71.7	-172.4	0	0	0	113.3	R59 L60 L88 F132	R59-I63 HydrophobicContact CG-CG2 4.43Å; R59-I63 VanDerWaalsContact CZ-CG2 3.47Å; R59-I63 WeakPolarHBondContact O-CG1 3.45Å; R59-I63 WeakPolarHBondContact O-CG2 3.24Å; R59-I63 PolarHBondContact O-N 3.33Å; L60-I63 HydrophobicContact CD2-CD1 3.97Å; L60-I63 HydrophobicContact CD2-CG1 4.39Å; L60-I63 PolarHBondContact O-N 3Å; I63-L88 HydrophobicContact CD1-CD1 3.96Å; I63-L88 HydrophobicContact CD1-CD2 4.18Å; I63-L88 HydrophobicContact CG1-CD1 4.2Å; I63-F132 HydrophobicContact CD1-CE2 4.42Å; I63-F132 HydrophobicContact CD1-CZ 3.95Å
64	T	83.9	Confident	88.5	Confident	14 Å²	14	56 Å²	56	9%	0.086	30%	0.298	C	S	.	.			trans	-103.7	118.4	-180	66.2	0	0	0	0	109.7	L60 G66 E68 L88	L60-T64 VanDerWaalsContact O-CB 3.31Å; L60-T64 WeakPolarHBondContact O-CB 3.46Å; L60-T64 WeakPolarHBondContact O-CG2 3.29Å; L60-T64 PolarHBondContact O-N 3.11Å; L60-T64 PolarHBondContact O-OG1 3.28Å; T64-G66 PolarHBondContact O-N 2.93Å; T64-E68 HydrophobicContact CG2-CB 3.76Å; T64-L88 HydrophobicContact CG2-CD2 3.92Å
65	E	78.6	Confident	88.3	Confident	187 Å²	187	54 Å²	54	87%	0.874	29%	0.285	S	S	*	.			trans	-80.4	34.2	176.2	-61.1	-173.3	103.2	0	0	111.7	S67	E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.11Å
66	G	72.1	Confident	87.9	Confident	51 Å²	51	54.3 Å²	54.3	53%	0.526	30%	0.297	S	S	.	.	S	Bend	trans	80.7	-6.1	176.8	0	0	0	0	0	116.4	T64 R105	T64-G66 PolarHBondContact O-N 2.93Å; G66-R105 PolarHBondContact O-NH2 3Å
67	S	79.8	Confident	87.4	Confident	90 Å²	90	55.7 Å²	55.7	63%	0.629	31%	0.312	S	S	*	.	S	Bend	trans	-100.2	-24	175.6	-60.5	0	0	0	0	113.3	E65 R105	E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.11Å; S67-R105 VanDerWaalsContact C-NH2 3.31Å; S67-R105 PolarHBondContact O-NH2 3.19Å
68	E	89.9	Confident	86.5	Confident	58 Å²	58	57.5 Å²	57.5	27%	0.271	33%	0.334	S	S	.	.			trans	-93.2	165.4	-177.5	-64.2	160.2	104.1	0	0	111.6	T64 D89 T90 R105	T64-E68 HydrophobicContact CG2-CB 3.76Å; E68-D89 CarbonylContact C-O 3.6Å; E68-D89 WeakPolarHBondContact CA-O 3.42Å; E68-T90 HydrophobicContact CB-CG2 4.45Å; E68-T90 HydrophobicContact CG-CG2 3.69Å; E68-R105 PolarHBondContact O-NH2 3.08Å
69	F	89.7	Confident	85.3	Confident	5 Å²	5	58 Å²	58	2%	0.022	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.4	171	52.6	-98.1	0	0	0	109.9	L88 D89 T90 V91 I92 R105 V107	F69-L88 WeakPolarHBondContact O-CA 3.32Å; F69-D89 WeakPolarHBondContact CD1-O 3.18Å; F69-D89 HydrophobicContact CD2-CB 4.47Å; F69-D89 WeakPolarHBondContact CE1-O 3.37Å; F69-D89 HydrophobicContact CE2-CB 3.7Å; F69-D89 HydrophobicContact CZ-CB 3.88Å; F69-D89 PolarHBondContact N-O 2.59Å; F69-D89 PolarHBondContact O-N 2.77Å; F69-T90 VanDerWaalsContact CE1-CA 3.48Å; F69-V91 VanDerWaalsContact CZ-C 3.48Å; F69-V91 WeakPolarHBondContact CZ-O 3.45Å; F69-I92 HydrophobicContact CD1-CD1 4.36Å; F69-I92 HydrophobicContact CD1-CG1 4.06Å; F69-I92 HydrophobicContact CE1-CD1 4.09Å; F69-I92 HydrophobicContact CE1-CG1 3.37Å; F69-I92 HydrophobicContact CE2-CG1 4.36Å; F69-I92 HydrophobicContact CZ-CG1 3.57Å; F69-R105 WeakPolarHBondContact CA-O 3.46Å; F69-R105 HydrophobicContact CB-CB 3.74Å; F69-R105 WeakPolarHBondContact CB-O 3.4Å; F69-V107 HydrophobicContact CB-CG2 4.04Å; F69-V107 HydrophobicContact CD1-CG2 4.34Å; F69-V107 HydrophobicContact CD2-CB 3.61Å; F69-V107 HydrophobicContact CD2-CG1 4.48Å; F69-V107 HydrophobicContact CD2-CG2 3.19Å; F69-V107 HydrophobicContact CE2-CB 3.84Å; F69-V107 HydrophobicContact CE2-CG1 4.24Å; F69-V107 HydrophobicContact CE2-CG2 3.64Å; F69-V107 HydrophobicContact CG-CB 4.48Å; F69-V107 HydrophobicContact CG-CG2 3.59Å; F69-V107 HydrophobicContact CZ-CG2 4.38Å
70	L	91.7	Very high	84.2	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114	177.2	-174.2	76.4	0	0	0	110.3	L60 F86 L88 R105 V106 V107 F132	L60-L70 HydrophobicContact CD1-CB 4.22Å; L60-L70 HydrophobicContact CD1-CD2 4.18Å; L60-L70 HydrophobicContact CD2-CB 3.64Å; L60-L70 HydrophobicContact CD2-CD1 4.16Å; L60-L70 HydrophobicContact CD2-CD2 4.15Å; L60-L70 HydrophobicContact CD2-CG 4.2Å; L70-F86 HydrophobicContact CD1-CB 4.26Å; L70-F86 HydrophobicContact CD2-CD1 4.03Å; L70-F86 HydrophobicContact CG-CD1 4.41Å; L70-L88 HydrophobicContact CB-CD2 4.4Å; L70-L88 HydrophobicContact CD1-CD2 4.02Å; L70-R105 PolarHBondContact N-O 2.94Å; L70-V106 HydrophobicContact CB-CG2 4.22Å; L70-V106 HydrophobicContact CD2-CG2 4.38Å; L70-V106 CarbonylContact O-C 3.59Å; L70-V106 VanDerWaalsContact O-CA 3.24Å; L70-V106 WeakPolarHBondContact O-CA 3.46Å; L70-V106 WeakPolarHBondContact O-CG1 3.48Å; L70-V107 PolarHBondContact O-N 3.29Å; L70-F132 HydrophobicContact CD1-CD2 4.39Å; L70-F132 HydrophobicContact CD1-CE2 4.16Å; L70-F132 HydrophobicContact CD1-CZ 4.33Å; L70-F132 HydrophobicContact CD2-CD1 4.17Å; L70-F132 HydrophobicContact CD2-CE1 4.25Å; L70-F132 HydrophobicContact CD2-CG 4.5Å
71	R	92.3	Very high	83.7	Confident	39 Å²	39	57.9 Å²	57.9	15%	0.147	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125	170	-161.5	178.1	-169.9	-169.3	0.5	110.5	Q73 F86 S87 D96 V107 D109	R71-Q73 HydrophobicContact CG-CG 4.12Å; R71-F86 WeakPolarHBondContact O-CA 3.25Å; R71-S87 WeakPolarHBondContact CA-O 3.44Å; R71-S87 WeakPolarHBondContact CB-O 3.35Å; R71-S87 PolarHBondContact N-O 2.77Å; R71-S87 PolarHBondContact O-N 2.96Å; R71-D96 IonicContact NE-OD1 3.87Å; R71-D96 IonicContact NH2-OD1 3.32Å; R71-D96 PolarHBondContact NH2-OD1 2.85Å; R71-D96 IonicContact NH2-OD2 3.87Å; R71-V107 CarbonylContact C-O 3.45Å; R71-V107 VanDerWaalsContact CA-O 3.28Å; R71-V107 WeakPolarHBondContact CA-O 3.49Å; R71-D109 IonicContact NH2-OD2 3.5Å; R71-D109 PolarHBondContact NH2-OD2 2.97Å
72	L	91.8	Very high	83.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.8	171.7	169.9	59.3	0	0	0	109.4	Y84 F86 V107 V108 V116 V121 V134	L72-Y84 HydrophobicContact CD1-CD1 4.1Å; L72-F86 HydrophobicContact CD1-CD1 3.99Å; L72-F86 HydrophobicContact CD1-CE1 3.58Å; L72-F86 HydrophobicContact CD1-CZ 3.99Å; L72-F86 HydrophobicContact CG-CE1 4.47Å; L72-V107 PolarHBondContact N-O 3.25Å; L72-V108 HydrophobicContact CB-CG2 4.06Å; L72-V108 HydrophobicContact CD2-CG2 4.39Å; L72-V116 HydrophobicContact CD2-CB 4.29Å; L72-V116 HydrophobicContact CD2-CG1 3.97Å; L72-V116 HydrophobicContact CD2-CG2 4.24Å; L72-V116 HydrophobicContact CG-CG1 4.45Å; L72-V121 HydrophobicContact CD2-CG2 4Å; L72-V134 HydrophobicContact CD1-CG2 4.37Å; L72-V134 HydrophobicContact CD2-CG2 4.44Å
73	Q	91.1	Very high	83.4	Confident	45 Å²	45	53.3 Å²	53.3	21%	0.21	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.1	176.1	-62.5	-179.3	-57.1	0	0	110.1	R71 K85 S112	R71-Q73 HydrophobicContact CG-CG 4.12Å; Q73-K85 HydrophobicContact CB-CB 4.41Å; Q73-K85 PolarHBondContact N-O 3.05Å; Q73-K85 PolarHBondContact O-N 2.89Å; Q73-S112 WeakPolarHBondContact CA-OG 3.46Å
74	V	89.7	Confident	83.5	Confident	21 Å²	21	52.4 Å²	52.4	13%	0.127	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.1	170.8	-179.9	0	0	0	0	108	F82 Y84 S112 F115 V116 F150	V74-F82 HydrophobicContact CG1-CB 4.14Å; V74-F82 HydrophobicContact CG1-CD1 3.95Å; V74-F82 HydrophobicContact CG1-CG 4.44Å; V74-Y84 HydrophobicContact CG2-CD1 3.83Å; V74-Y84 HydrophobicContact CG2-CE1 3.96Å; V74-S112 PolarHBondContact N-OG 3.27Å; V74-F115 HydrophobicContact CB-CB 4.43Å; V74-F115 HydrophobicContact CB-CD2 4.31Å; V74-F115 HydrophobicContact CG1-CB 4.35Å; V74-F115 HydrophobicContact CG1-CD2 4.35Å; V74-F115 HydrophobicContact CG1-CG 4.29Å; V74-F115 HydrophobicContact CG2-CB 3.96Å; V74-V116 HydrophobicContact CG2-CG1 3.93Å; V74-F150 HydrophobicContact CG1-CE1 4.06Å; V74-F150 HydrophobicContact CG1-CZ 3.85Å
75	E	88.6	Confident	83.7	Confident	86 Å²	86	55.6 Å²	55.6	40%	0.402	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.3	174.7	-68	-174.9	143.3	0	0	109.7	G77 F82 Q83 K85	E75-G77 PolarHBondContact O-N 3.36Å; E75-F82 WeakPolarHBondContact O-CA 3.41Å; E75-Q83 PolarHBondContact N-O 2.87Å; E75-Q83 PolarHBondContact O-N 2.78Å; E75-K85 VanDerWaalsContact CD-CD 3.42Å; E75-K85 VanDerWaalsContact CD-NZ 3.33Å; E75-K85 HydrophobicContact CG-CD 4.29Å; E75-K85 IonicContact OE1-NZ 2.79Å; E75-K85 PolarHBondContact OE1-NZ 3.03Å; E75-K85 WeakPolarHBondContact OE2-CD 3.35Å; E75-K85 IonicContact OE2-NZ 3.16Å; E75-K85 PolarHBondContact OE2-NZ 2.86Å; E75-K85 VanDerWaalsContact OE2-NZ 3.16Å
76	G	84.9	Confident	84.3	Confident	67 Å²	67	49.1 Å²	49.1	69%	0.691	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	115.5	169.5	0	0	0	0	0	109.9	G81	G76-G81 CarbonylContact C-O 3.59Å; G76-G81 WeakPolarHBondContact CA-O 3.4Å
77	G	79.8	Confident	85.2	Confident	30 Å²	30	48.8 Å²	48.8	31%	0.309	31%	0.305	S	S	.	.			trans	165.5	176.7	-176.3	0	0	0	0	0	114	E75 G81 F82	E75-G77 PolarHBondContact O-N 3.36Å; G77-G81 PolarHBondContact N-O 3.02Å; G77-G81 CarbonylContact O-C 3.12Å; G77-F82 CarbonylContact O-C 3.55Å; G77-F82 VanDerWaalsContact O-C 3.24Å; G77-F82 WeakPolarHBondContact O-CA 3.26Å; G77-F82 PolarHBondContact O-N 2.77Å; G77-F82 VanDerWaalsContact O-N 3.07Å
78	G	72.4	Confident	85.7	Confident	53 Å²	53	47.9 Å²	47.9	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	84.5	178.6	-180	0	0	0	0	0	114.5	S80 G81	G78-S80 PolarHBondContact O-N 2.71Å; G78-S80 VanDerWaalsContact O-N 3.15Å; G78-G81 PolarHBondContact O-N 3.44Å
79	C	67.8	Low	85.7	Confident	129 Å²	129	48 Å²	48	87%	0.872	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	-175.7	-77.6	0	0	0	0	114.3
80	S	67	Low	85.7	Confident	34 Å²	34	52 Å²	52	24%	0.238	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-0.9	-171.3	-57.9	0	0	0	0	113.8	G78 S151	G78-S80 PolarHBondContact O-N 2.71Å; G78-S80 VanDerWaalsContact O-N 3.15Å; S80-S151 WeakPolarHBondContact CB-OG 3.49Å; S80-S151 PolarHBondContact O-OG 2.76Å
81	G	80.9	Confident	85.5	Confident	35 Å²	35	56.2 Å²	56.2	36%	0.361	35%	0.346	S	S	.	.	S	Bend	trans	104.5	-27.6	174.8	0	0	0	0	0	115.7	G76 G77 G78	G76-G81 CarbonylContact C-O 3.59Å; G76-G81 WeakPolarHBondContact CA-O 3.4Å; G77-G81 PolarHBondContact N-O 3.02Å; G77-G81 CarbonylContact O-C 3.12Å; G78-G81 PolarHBondContact O-N 3.44Å
82	F	86.3	Confident	85.3	Confident	49 Å²	49	58.4 Å²	58.4	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.8	174.9	-62.3	-88.5	0	0	0	112.5	V74 E75 G77 F115 S149 F150 I152	V74-F82 HydrophobicContact CG1-CB 4.14Å; V74-F82 HydrophobicContact CG1-CD1 3.95Å; V74-F82 HydrophobicContact CG1-CG 4.44Å; E75-F82 WeakPolarHBondContact O-CA 3.41Å; G77-F82 CarbonylContact O-C 3.55Å; G77-F82 VanDerWaalsContact O-C 3.24Å; G77-F82 WeakPolarHBondContact O-CA 3.26Å; G77-F82 PolarHBondContact O-N 2.77Å; G77-F82 VanDerWaalsContact O-N 3.07Å; F82-F115 HydrophobicContact CE1-CE1 4.33Å; F82-F115 HydrophobicContact CE1-CZ 4.44Å; F82-S149 CarbonylContact O-C 3.48Å; F82-S149 WeakPolarHBondContact O-CA 3.28Å; F82-S149 VanDerWaalsContact O-CB 3.29Å; F82-S149 WeakPolarHBondContact O-CB 3.29Å; F82-F150 HydrophobicContact CB-CD1 4.11Å; F82-F150 HydrophobicContact CB-CE1 3.71Å; F82-F150 HydrophobicContact CB-CE2 4.28Å; F82-F150 HydrophobicContact CB-CZ 3.83Å; F82-F150 HydrophobicContact CG-CZ 4.49Å; F82-F150 PolarHBondContact N-O 2.8Å; F82-F150 PolarHBondContact O-N 3.07Å; F82-I152 HydrophobicContact CD2-CG1 4.3Å; F82-I152 HydrophobicContact CD2-CG2 3.83Å; F82-I152 HydrophobicContact CE2-CB 4.31Å; F82-I152 HydrophobicContact CE2-CD1 3.57Å; F82-I152 HydrophobicContact CE2-CG1 3.62Å; F82-I152 HydrophobicContact CE2-CG2 3.86Å; F82-I152 HydrophobicContact CG-CG2 4.43Å; F82-I152 HydrophobicContact CZ-CD1 3.7Å; F82-I152 HydrophobicContact CZ-CG1 4.27Å; F82-I152 HydrophobicContact CZ-CG2 4.44Å
83	Q	86	Confident	85.2	Confident	79 Å²	79	61.4 Å²	61.4	37%	0.369	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.4	178.8	177.4	145.2	90.1	0	0	110.8	E75 S148 S149	E75-Q83 PolarHBondContact N-O 2.87Å; E75-Q83 PolarHBondContact O-N 2.78Å; Q83-S148 WeakPolarHBondContact CG-O 3.42Å; Q83-S148 PolarHBondContact NE2-O 3.01Å; Q83-S149 PolarHBondContact NE2-OG 2.96Å
84	Y	88.8	Confident	84.9	Confident	25 Å²	25	65.3 Å²	65.3	10%	0.098	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.8	172.4	-57.9	-69.8	0	0	0	110.2	L72 V74 V116 V134 N137 F150	L72-Y84 HydrophobicContact CD1-CD1 4.1Å; V74-Y84 HydrophobicContact CG2-CD1 3.83Å; V74-Y84 HydrophobicContact CG2-CE1 3.96Å; Y84-V116 HydrophobicContact CD1-CG1 4.26Å; Y84-V116 HydrophobicContact CE1-CG1 3.73Å; Y84-V134 HydrophobicContact CD1-CB 4.44Å; Y84-V134 HydrophobicContact CD1-CG2 3.78Å; Y84-V134 HydrophobicContact CD2-CB 4.01Å; Y84-V134 HydrophobicContact CD2-CG2 3.87Å; Y84-V134 HydrophobicContact CE1-CB 4.18Å; Y84-V134 HydrophobicContact CE1-CG1 4.34Å; Y84-V134 HydrophobicContact CE1-CG2 3.95Å; Y84-V134 HydrophobicContact CE2-CB 3.71Å; Y84-V134 HydrophobicContact CE2-CG1 4.42Å; Y84-V134 HydrophobicContact CE2-CG2 4.03Å; Y84-V134 HydrophobicContact CG-CB 4.36Å; Y84-V134 HydrophobicContact CG-CG2 3.74Å; Y84-N137 PolarHBondContact OH-ND2 3.2Å; Y84-F150 AromaticContact CD1-CE1 3.86Å; Y84-F150 HydrophobicContact CD1-CE1 3.86Å; Y84-F150 HydrophobicContact CD2-CD1 4.03Å; Y84-F150 HydrophobicContact CD2-CE1 4.14Å; Y84-F150 AromaticContact CE1-CD1 3.89Å; Y84-F150 HydrophobicContact CE1-CD1 3.89Å; Y84-F150 AromaticContact CE1-CE1 3.22Å; Y84-F150 HydrophobicContact CE1-CE1 3.22Å; Y84-F150 AromaticContact CE1-CZ 3.72Å; Y84-F150 HydrophobicContact CE1-CZ 3.72Å; Y84-F150 AromaticContact CE2-CD1 3.29Å; Y84-F150 HydrophobicContact CE2-CD1 3.29Å; Y84-F150 AromaticContact CE2-CE1 3.57Å; Y84-F150 HydrophobicContact CE2-CE1 3.57Å; Y84-F150 HydrophobicContact CE2-CG 4.18Å; Y84-F150 HydrophobicContact CG-CE1 4.28Å; Y84-F150 AromaticContact CZ-CD1 3.22Å; Y84-F150 AromaticContact CZ-CE1 3.07Å; Y84-F150 AromaticContact CZ-CZ 3.73Å; Y84-F150 VanDerWaalsContact OH-CD1 3.28Å; Y84-F150 WeakPolarHBondContact OH-CD1 3.28Å; Y84-F150 VanDerWaalsContact OH-CE1 3.28Å; Y84-F150 WeakPolarHBondContact OH-CE1 3.49Å
85	K	89.2	Confident	84.8	Confident	82 Å²	82	69.5 Å²	69.5	36%	0.357	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.8	174.8	-178	164.6	173	179	0	109.6	Q73 E75	Q73-K85 HydrophobicContact CB-CB 4.41Å; Q73-K85 PolarHBondContact N-O 3.05Å; Q73-K85 PolarHBondContact O-N 2.89Å; E75-K85 VanDerWaalsContact CD-CD 3.42Å; E75-K85 VanDerWaalsContact CD-NZ 3.33Å; E75-K85 HydrophobicContact CG-CD 4.29Å; E75-K85 IonicContact OE1-NZ 2.79Å; E75-K85 PolarHBondContact OE1-NZ 3.03Å; E75-K85 WeakPolarHBondContact OE2-CD 3.35Å; E75-K85 IonicContact OE2-NZ 3.16Å; E75-K85 PolarHBondContact OE2-NZ 2.86Å; E75-K85 VanDerWaalsContact OE2-NZ 3.16Å
86	F	91	Very high	84.8	Confident	50 Å²	50	66.1 Å²	66.1	22%	0.219	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	-179.3	-61.8	-82.4	0	0	0	108.2	L70 R71 L72 V121 F132 V134	L70-F86 HydrophobicContact CD1-CB 4.26Å; L70-F86 HydrophobicContact CD2-CD1 4.03Å; L70-F86 HydrophobicContact CG-CD1 4.41Å; R71-F86 WeakPolarHBondContact O-CA 3.25Å; L72-F86 HydrophobicContact CD1-CD1 3.99Å; L72-F86 HydrophobicContact CD1-CE1 3.58Å; L72-F86 HydrophobicContact CD1-CZ 3.99Å; L72-F86 HydrophobicContact CG-CE1 4.47Å; F86-V121 HydrophobicContact CE1-CG1 4.11Å; F86-F132 HydrophobicContact CB-CD2 4.39Å; F86-F132 HydrophobicContact CD1-CB 3.79Å; F86-F132 HydrophobicContact CD1-CG 4.34Å; F86-F132 HydrophobicContact CD2-CB 3.72Å; F86-F132 HydrophobicContact CE1-CB 3.73Å; F86-F132 HydrophobicContact CE2-CB 3.69Å; F86-F132 VanDerWaalsContact CE2-O 3.3Å; F86-F132 WeakPolarHBondContact CE2-O 3.28Å; F86-F132 HydrophobicContact CG-CB 3.76Å; F86-F132 HydrophobicContact CG-CD2 4.48Å; F86-F132 HydrophobicContact CG-CG 4.38Å; F86-F132 HydrophobicContact CZ-CB 3.68Å; F86-V134 HydrophobicContact CE1-CG2 4.41Å; F86-V134 HydrophobicContact CZ-CG2 3.78Å
87	S	90.4	Very high	85.1	Confident	44 Å²	44	67.5 Å²	67.5	31%	0.308	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.2	177.4	-63.4	0	0	0	0	109.5	R71	R71-S87 WeakPolarHBondContact CA-O 3.44Å; R71-S87 WeakPolarHBondContact CB-O 3.35Å; R71-S87 PolarHBondContact N-O 2.77Å; R71-S87 PolarHBondContact O-N 2.96Å
88	L	90.9	Very high	85.5	Confident	72 Å²	72	69.3 Å²	69.3	38%	0.377	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.2	171.8	-68.3	173.4	0	0	0	108.2	L60 I63 T64 F69 L70	L60-L88 HydrophobicContact CD2-CD2 4.46Å; I63-L88 HydrophobicContact CD1-CD1 3.96Å; I63-L88 HydrophobicContact CD1-CD2 4.18Å; I63-L88 HydrophobicContact CG1-CD1 4.2Å; T64-L88 HydrophobicContact CG2-CD2 3.92Å; F69-L88 WeakPolarHBondContact O-CA 3.32Å; L70-L88 HydrophobicContact CB-CD2 4.4Å; L70-L88 HydrophobicContact CD1-CD2 4.02Å
89	D	90.1	Very high	86.3	Confident	59 Å²	59	68.6 Å²	68.6	32%	0.316	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	166.9	179.5	-147	-64.3	0	0	0	110.3	E68 F69 V91	E68-D89 CarbonylContact C-O 3.6Å; E68-D89 WeakPolarHBondContact CA-O 3.42Å; F69-D89 WeakPolarHBondContact CD1-O 3.18Å; F69-D89 HydrophobicContact CD2-CB 4.47Å; F69-D89 WeakPolarHBondContact CE1-O 3.37Å; F69-D89 HydrophobicContact CE2-CB 3.7Å; F69-D89 HydrophobicContact CZ-CB 3.88Å; F69-D89 PolarHBondContact N-O 2.59Å; F69-D89 PolarHBondContact O-N 2.77Å; D89-V91 PolarHBondContact OD1-N 3.28Å
90	T	89.6	Confident	87.2	Confident	89 Å²	89	69.3 Å²	69.3	55%	0.546	37%	0.373	S	S	.	.	S	Bend	trans	-122.6	-9.4	178.4	55.6	0	0	0	0	112.1	E68 F69	E68-T90 HydrophobicContact CB-CG2 4.45Å; E68-T90 HydrophobicContact CG-CG2 3.69Å; F69-T90 VanDerWaalsContact CE1-CA 3.48Å
91	V	87.6	Confident	88.1	Confident	92 Å²	92	71.5 Å²	71.5	56%	0.558	38%	0.38	S	S	*	.			trans	-109.8	113.3	-177.3	-175.9	0	0	0	0	111.1	F69 D89	F69-V91 VanDerWaalsContact CZ-C 3.48Å; F69-V91 WeakPolarHBondContact CZ-O 3.45Å; D89-V91 PolarHBondContact OD1-N 3.28Å
92	I	87.6	Confident	88.1	Confident	84 Å²	84	72.9 Å²	72.9	43%	0.431	39%	0.394	S	S	.	.			trans	-89.2	127.2	177.5	-56.6	171.2	0	0	0	108.6	F69 D96 V98 V107	F69-I92 HydrophobicContact CD1-CD1 4.36Å; F69-I92 HydrophobicContact CD1-CG1 4.06Å; F69-I92 HydrophobicContact CE1-CD1 4.09Å; F69-I92 HydrophobicContact CE1-CG1 3.37Å; F69-I92 HydrophobicContact CE2-CG1 4.36Å; F69-I92 HydrophobicContact CZ-CG1 3.57Å; I92-D96 HydrophobicContact CG2-CB 4.18Å; I92-V98 HydrophobicContact CD1-CG2 3.94Å; I92-V98 HydrophobicContact CG2-CG2 3.91Å; I92-V107 HydrophobicContact CG1-CG2 4.46Å
93	N	88.9	Confident	88	Confident	65 Å²	65	72.7 Å²	72.7	35%	0.348	41%	0.405	S	S	.	.			trans	-85.1	156.6	174.9	-55.3	-71.4	0	0	0	110.6	D95 D96	N93-D95 PolarHBondContact O-N 3.32Å; N93-D96 WeakPolarHBondContact CB-OD2 3.44Å; N93-D96 PolarHBondContact N-OD2 3.47Å; N93-D96 PolarHBondContact ND2-OD2 3.29Å; N93-D96 WeakPolarHBondContact O-CB 3.08Å; N93-D96 PolarHBondContact O-N 2.65Å; N93-D96 VanDerWaalsContact O-N 3.11Å
94	P	86.1	Confident	88.1	Confident	127 Å²	127	68.9 Å²	68.9	83%	0.825	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.6	-178.9	24.1	-34.5	0	0	0	114.1	D96	P94-D96 VanDerWaalsContact C-N 3.33Å
95	D	87.1	Confident	88.1	Confident	108 Å²	108	71.2 Å²	71.2	58%	0.578	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.6	178	-62.3	-86.4	0	0	0	113.2	N93 S110	N93-D95 PolarHBondContact O-N 3.32Å; D95-S110 WeakPolarHBondContact O-CB 3.18Å; D95-S110 PolarHBondContact O-N 2.84Å; D95-S110 PolarHBondContact O-OG 2.9Å
96	D	89.4	Confident	88.2	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.08	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.4	178.1	-71.3	-43.2	0	0	0	111.1	R71 I92 N93 P94 V107 D109	R71-D96 IonicContact NE-OD1 3.87Å; R71-D96 IonicContact NH2-OD1 3.32Å; R71-D96 PolarHBondContact NH2-OD1 2.85Å; R71-D96 IonicContact NH2-OD2 3.87Å; I92-D96 HydrophobicContact CG2-CB 4.18Å; N93-D96 WeakPolarHBondContact CB-OD2 3.44Å; N93-D96 PolarHBondContact N-OD2 3.47Å; N93-D96 PolarHBondContact ND2-OD2 3.29Å; N93-D96 WeakPolarHBondContact O-CB 3.08Å; N93-D96 PolarHBondContact O-N 2.65Å; N93-D96 VanDerWaalsContact O-N 3.11Å; P94-D96 VanDerWaalsContact C-N 3.33Å; D96-V107 HydrophobicContact CB-CG1 3.46Å; D96-V107 VanDerWaalsContact CB-CG1 3.46Å; D96-D109 WeakPolarHBondContact OD1-CA 3.14Å
97	R	89.3	Confident	88.2	Confident	96 Å²	96	65 Å²	65	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.4	170.4	-62.6	-143.9	76.7	160.7	9.9	110.9	E47 F99 V107 V108 L113	E47-R97 PolarHBondContact O-NH1 2.88Å; R97-F99 HydrophobicContact CB-CE2 3.73Å; R97-F99 HydrophobicContact CB-CZ 3.89Å; R97-V107 CarbonylContact O-C 3.47Å; R97-V107 WeakPolarHBondContact O-CA 2.99Å; R97-V108 PolarHBondContact N-O 3.5Å; R97-V108 PolarHBondContact O-N 2.99Å; R97-L113 VanDerWaalsContact CD-CD2 3.41Å; R97-L113 HydrophobicContact CG-CD2 3.98Å
98	V	88.9	Confident	88.2	Confident	68 Å²	68	62.9 Å²	62.9	41%	0.412	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.9	178.1	-170.3	0	0	0	0	110	I92 V107	I92-V98 HydrophobicContact CD1-CG2 3.94Å; I92-V98 HydrophobicContact CG2-CG2 3.91Å; V98-V107 HydrophobicContact CB-CG2 4.49Å; V98-V107 HydrophobicContact CG1-CG2 4.23Å; V98-V107 HydrophobicContact CG2-CG2 4.11Å
99	F	88.9	Confident	88.3	Confident	38 Å²	38	61 Å²	61	17%	0.167	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.9	175.2	-59	-81	0	0	0	108.6	G48 I50 R97 V106 V108 L113	G48-F99 WeakPolarHBondContact O-CE1 3.44Å; G48-F99 WeakPolarHBondContact O-CZ 3.39Å; I50-F99 HydrophobicContact CD1-CD2 4Å; I50-F99 HydrophobicContact CD1-CE2 3.74Å; I50-F99 HydrophobicContact CD1-CZ 4.23Å; I50-F99 HydrophobicContact CG1-CE2 4.36Å; I50-F99 HydrophobicContact CG1-CZ 4.43Å; R97-F99 HydrophobicContact CB-CE2 3.73Å; R97-F99 HydrophobicContact CB-CZ 3.89Å; F99-V106 PolarHBondContact N-O 3.03Å; F99-V106 PolarHBondContact O-N 2.95Å; F99-V108 HydrophobicContact CD2-CG2 4.04Å; F99-V108 HydrophobicContact CE2-CB 4.09Å; F99-V108 HydrophobicContact CE2-CG2 3.95Å; F99-L113 HydrophobicContact CE2-CD1 4.02Å; F99-L113 HydrophobicContact CZ-CD1 3.69Å
100	E	86.9	Confident	88.2	Confident	144 Å²	144	61 Å²	61	67%	0.673	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	176.6	-168.3	-179.3	128.6	0	0	109.9	A104 R105	E100-A104 WeakPolarHBondContact CA-O 3.48Å; E100-R105 HydrophobicContact CG-CG 4.1Å
101	Q	85.3	Confident	88.1	Confident	81 Å²	81	62.9 Å²	62.9	38%	0.379	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	121.1	175.5	-161.1	-176.7	-34.6	0	0	109.8	L52 G103 A104	L52-Q101 HydrophobicContact CB-CB 4.35Å; L52-Q101 HydrophobicContact CD1-CB 3.6Å; L52-Q101 HydrophobicContact CG-CB 4.48Å; L52-Q101 PolarHBondContact O-NE2 2.78Å; Q101-G103 PolarHBondContact O-N 3.31Å; Q101-A104 PolarHBondContact N-O 3.34Å; Q101-A104 PolarHBondContact O-N 3.06Å; Q101-A104 VanDerWaalsContact O-N 3.08Å
102	G	81.6	Confident	88.1	Confident	64 Å²	64	58.9 Å²	58.9	66%	0.66	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	27.6	176.3	0	0	0	0	0	114.5	V57 A104	V57-G102 WeakPolarHBondContact CG1-O 3.12Å; G102-A104 VanDerWaalsContact C-N 3.31Å
103	G	84.4	Confident	88.2	Confident	44 Å²	44	56 Å²	56	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-9.5	-177.4	0	0	0	0	0	114.8	Q101	Q101-G103 PolarHBondContact O-N 3.31Å
104	A	87.9	Confident	88.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.7	170	0	0	0	0	0	110.4	V57 L60 E100 Q101 G102	V57-A104 HydrophobicContact CB-CB 4.3Å; V57-A104 HydrophobicContact CG1-CB 4Å; V57-A104 HydrophobicContact CG2-CB 4.27Å; L60-A104 HydrophobicContact CB-CB 3.74Å; L60-A104 HydrophobicContact CD1-CB 3.83Å; L60-A104 HydrophobicContact CG-CB 4.44Å; E100-A104 WeakPolarHBondContact CA-O 3.48Å; Q101-A104 PolarHBondContact N-O 3.34Å; Q101-A104 PolarHBondContact O-N 3.06Å; Q101-A104 VanDerWaalsContact O-N 3.08Å; G102-A104 VanDerWaalsContact C-N 3.31Å
105	R	89.6	Confident	88.1	Confident	73 Å²	73	52.5 Å²	52.5	28%	0.275	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.3	176.6	-65.7	179.6	-59.1	-161.7	-2	110.2	G66 S67 E68 F69 L70 E100	G66-R105 PolarHBondContact O-NH2 3Å; S67-R105 VanDerWaalsContact C-NH2 3.31Å; S67-R105 PolarHBondContact O-NH2 3.19Å; E68-R105 PolarHBondContact O-NH2 3.08Å; F69-R105 WeakPolarHBondContact CA-O 3.46Å; F69-R105 HydrophobicContact CB-CB 3.74Å; F69-R105 WeakPolarHBondContact CB-O 3.4Å; L70-R105 PolarHBondContact N-O 2.94Å; E100-R105 HydrophobicContact CG-CG 4.1Å
106	V	90.1	Very high	88.2	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.2	175.5	-179.9	0	0	0	0	108.9	L52 L60 L70 F99 V108	L52-V106 HydrophobicContact CD1-CB 4.48Å; L52-V106 HydrophobicContact CD1-CG2 3.73Å; L52-V106 HydrophobicContact CD2-CG2 3.61Å; L52-V106 HydrophobicContact CG-CG2 4.28Å; L60-V106 HydrophobicContact CD1-CG2 3.94Å; L70-V106 HydrophobicContact CB-CG2 4.22Å; L70-V106 HydrophobicContact CD2-CG2 4.38Å; L70-V106 CarbonylContact O-C 3.59Å; L70-V106 VanDerWaalsContact O-CA 3.24Å; L70-V106 WeakPolarHBondContact O-CA 3.46Å; L70-V106 WeakPolarHBondContact O-CG1 3.48Å; F99-V106 PolarHBondContact N-O 3.03Å; F99-V106 PolarHBondContact O-N 2.95Å; V106-V108 HydrophobicContact CG1-CG2 4.28Å
107	V	91.6	Very high	88.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132	-176.4	180	0	0	0	0	108.7	F69 L70 R71 L72 I92 D96 R97 V98	F69-V107 HydrophobicContact CB-CG2 4.04Å; F69-V107 HydrophobicContact CD1-CG2 4.34Å; F69-V107 HydrophobicContact CD2-CB 3.61Å; F69-V107 HydrophobicContact CD2-CG1 4.48Å; F69-V107 HydrophobicContact CD2-CG2 3.19Å; F69-V107 HydrophobicContact CE2-CB 3.84Å; F69-V107 HydrophobicContact CE2-CG1 4.24Å; F69-V107 HydrophobicContact CE2-CG2 3.64Å; F69-V107 HydrophobicContact CG-CB 4.48Å; F69-V107 HydrophobicContact CG-CG2 3.59Å; F69-V107 HydrophobicContact CZ-CG2 4.38Å; L70-V107 PolarHBondContact O-N 3.29Å; R71-V107 CarbonylContact C-O 3.45Å; R71-V107 VanDerWaalsContact CA-O 3.28Å; R71-V107 WeakPolarHBondContact CA-O 3.49Å; L72-V107 PolarHBondContact N-O 3.25Å; I92-V107 HydrophobicContact CG1-CG2 4.46Å; D96-V107 HydrophobicContact CB-CG1 3.46Å; D96-V107 VanDerWaalsContact CB-CG1 3.46Å; R97-V107 CarbonylContact O-C 3.47Å; R97-V107 WeakPolarHBondContact O-CA 2.99Å; V98-V107 HydrophobicContact CB-CG2 4.49Å; V98-V107 HydrophobicContact CG1-CG2 4.23Å; V98-V107 HydrophobicContact CG2-CG2 4.11Å
108	V	91.2	Very high	88	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.2	-179	-171.3	0	0	0	0	109.1	I50 L72 R97 F99 V106 L113 V116	I50-V108 HydrophobicContact CD1-CB 4.2Å; I50-V108 HydrophobicContact CD1-CG1 4.4Å; I50-V108 HydrophobicContact CD1-CG2 3.38Å; L72-V108 HydrophobicContact CB-CG2 4.06Å; L72-V108 HydrophobicContact CD2-CG2 4.39Å; R97-V108 PolarHBondContact N-O 3.5Å; R97-V108 PolarHBondContact O-N 2.99Å; F99-V108 HydrophobicContact CD2-CG2 4.04Å; F99-V108 HydrophobicContact CE2-CB 4.09Å; F99-V108 HydrophobicContact CE2-CG2 3.95Å; V106-V108 HydrophobicContact CG1-CG2 4.28Å; V108-L113 HydrophobicContact CG1-CB 4.29Å; V108-V116 HydrophobicContact CG1-CG2 3.73Å
109	D	91.4	Very high	88	Confident	32 Å²	32	45.7 Å²	45.7	17%	0.171	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	148.9	175.5	-171	-79.9	0	0	0	110.9	R71 D96 D111 S112 L113	R71-D109 IonicContact NH2-OD2 3.5Å; R71-D109 PolarHBondContact NH2-OD2 2.97Å; D96-D109 WeakPolarHBondContact OD1-CA 3.14Å; D109-D111 VanDerWaalsContact C-N 3.27Å; D109-D111 PolarHBondContact O-N 3.27Å; D109-D111 PolarHBondContact OD1-N 3.46Å; D109-S112 CarbonylContact O-C 3.24Å; D109-S112 PolarHBondContact O-N 2.83Å; D109-L113 WeakPolarHBondContact O-CB 3.46Å; D109-L113 PolarHBondContact O-N 3.22Å
110	S	88.1	Confident	88	Confident	59 Å²	59	46.6 Å²	46.6	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-54.6	-38.6	179.3	-75	0	0	0	0	113.6	D95 L113	D95-S110 WeakPolarHBondContact O-CB 3.18Å; D95-S110 PolarHBondContact O-N 2.84Å; D95-S110 PolarHBondContact O-OG 2.9Å; S110-L113 WeakPolarHBondContact O-CB 3.3Å; S110-L113 PolarHBondContact O-N 2.95Å
111	D	87.9	Confident	88.2	Confident	129 Å²	129	39.8 Å²	39.8	69%	0.69	24%	0.243	S	C	*	.	H	α-helix	trans	-67.3	-42	177	-74.5	-53.3	0	0	0	111.1	D109 L113 F115	D109-D111 VanDerWaalsContact C-N 3.27Å; D109-D111 PolarHBondContact O-N 3.27Å; D109-D111 PolarHBondContact OD1-N 3.46Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-F115 WeakPolarHBondContact O-CD2 3.21Å; D111-F115 VanDerWaalsContact O-CE2 3.26Å; D111-F115 WeakPolarHBondContact O-CE2 3.5Å
112	S	89.2	Confident	88.5	Confident	8 Å²	8	37.3 Å²	37.3	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-31.9	179.6	-66.1	0	0	0	0	112.1	Q73 V74 D109 A114 F115 V116	Q73-S112 WeakPolarHBondContact CA-OG 3.46Å; V74-S112 PolarHBondContact N-OG 3.27Å; D109-S112 CarbonylContact O-C 3.24Å; D109-S112 PolarHBondContact O-N 2.83Å; S112-A114 VanDerWaalsContact C-N 3.25Å; S112-A114 PolarHBondContact O-N 2.81Å; S112-F115 WeakPolarHBondContact O-CB 3.47Å; S112-F115 PolarHBondContact O-N 3.06Å; S112-V116 WeakPolarHBondContact O-CG2 3.49Å; S112-V116 PolarHBondContact O-N 2.96Å
113	L	88.6	Confident	88.9	Confident	24 Å²	24	35.1 Å²	35.1	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-37.8	-178.1	-175.5	67.7	0	0	0	112.3	I50 R97 F99 V108 D109 S110 D111 F115 V116 K117	I50-L113 HydrophobicContact CD1-CD1 4.33Å; R97-L113 VanDerWaalsContact CD-CD2 3.41Å; R97-L113 HydrophobicContact CG-CD2 3.98Å; F99-L113 HydrophobicContact CE2-CD1 4.02Å; F99-L113 HydrophobicContact CZ-CD1 3.69Å; V108-L113 HydrophobicContact CG1-CB 4.29Å; D109-L113 WeakPolarHBondContact O-CB 3.46Å; D109-L113 PolarHBondContact O-N 3.22Å; S110-L113 WeakPolarHBondContact O-CB 3.3Å; S110-L113 PolarHBondContact O-N 2.95Å; D111-L113 VanDerWaalsContact C-N 3.34Å; L113-F115 PolarHBondContact O-N 2.82Å; L113-V116 PolarHBondContact O-N 2.74Å; L113-K117 WeakPolarHBondContact O-CB 3.05Å; L113-K117 PolarHBondContact O-N 2.96Å; L113-K117 VanDerWaalsContact O-N 3.08Å
114	A	86.6	Confident	89.2	Confident	60 Å²	60	34.6 Å²	34.6	50%	0.496	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-31.9	176.7	0	0	0	0	0	112.1	S112 Q139	S112-A114 VanDerWaalsContact C-N 3.25Å; S112-A114 PolarHBondContact O-N 2.81Å; A114-Q139 WeakPolarHBondContact O-CG 3.36Å
115	F	86.6	Confident	89.2	Confident	58 Å²	58	40.8 Å²	40.8	25%	0.254	22%	0.223	S	C	.	.	H	α-helix	trans	-88.6	-22.7	-178.4	-59.8	-76.5	0	0	0	113.8	V74 F82 D111 S112 L113 N137 Q139 F150 I152	V74-F115 HydrophobicContact CB-CB 4.43Å; V74-F115 HydrophobicContact CB-CD2 4.31Å; V74-F115 HydrophobicContact CG1-CB 4.35Å; V74-F115 HydrophobicContact CG1-CD2 4.35Å; V74-F115 HydrophobicContact CG1-CG 4.29Å; V74-F115 HydrophobicContact CG2-CB 3.96Å; F82-F115 HydrophobicContact CE1-CE1 4.33Å; F82-F115 HydrophobicContact CE1-CZ 4.44Å; D111-F115 WeakPolarHBondContact O-CD2 3.21Å; D111-F115 VanDerWaalsContact O-CE2 3.26Å; D111-F115 WeakPolarHBondContact O-CE2 3.5Å; S112-F115 WeakPolarHBondContact O-CB 3.47Å; S112-F115 PolarHBondContact O-N 3.06Å; L113-F115 PolarHBondContact O-N 2.82Å; F115-N137 PolarHBondContact O-ND2 3.16Å; F115-N137 PolarHBondContact O-OD1 2.93Å; F115-Q139 WeakPolarHBondContact O-CB 3.42Å; F115-F150 HydrophobicContact CB-CZ 4.3Å; F115-I152 HydrophobicContact CD1-CG2 3.7Å; F115-I152 HydrophobicContact CE1-CD1 4.23Å; F115-I152 HydrophobicContact CE1-CG2 3.92Å
116	V	88	Confident	89.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-111.7	9.6	-176.2	-60.3	0	0	0	0	113.4	I50 L72 V74 Y84 V108 S112 L113 G118 A119	I50-V116 HydrophobicContact CD1-CB 4.41Å; I50-V116 HydrophobicContact CD1-CG2 3.54Å; I50-V116 HydrophobicContact CG1-CG2 4.27Å; L72-V116 HydrophobicContact CD2-CB 4.29Å; L72-V116 HydrophobicContact CD2-CG1 3.97Å; L72-V116 HydrophobicContact CD2-CG2 4.24Å; L72-V116 HydrophobicContact CG-CG1 4.45Å; V74-V116 HydrophobicContact CG2-CG1 3.93Å; Y84-V116 HydrophobicContact CD1-CG1 4.26Å; Y84-V116 HydrophobicContact CE1-CG1 3.73Å; V108-V116 HydrophobicContact CG1-CG2 3.73Å; S112-V116 WeakPolarHBondContact O-CG2 3.49Å; S112-V116 PolarHBondContact O-N 2.96Å; L113-V116 PolarHBondContact O-N 2.74Å; V116-G118 PolarHBondContact O-N 3.44Å; V116-A119 HydrophobicContact CB-CB 4.27Å; V116-A119 WeakPolarHBondContact O-CB 3.45Å; V116-A119 PolarHBondContact O-N 3.14Å
117	K	88.3	Confident	89.1	Confident	106 Å²	106	51.5 Å²	51.5	46%	0.461	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	119.9	180	-173	170.7	-176.6	175.7	0	111.1	L113 A119 P138 Q139	L113-K117 WeakPolarHBondContact O-CB 3.05Å; L113-K117 PolarHBondContact O-N 2.96Å; L113-K117 VanDerWaalsContact O-N 3.08Å; K117-A119 VanDerWaalsContact C-N 3.26Å; K117-P138 WeakPolarHBondContact O-CD 3.22Å; K117-P138 WeakPolarHBondContact O-CG 3.4Å; K117-Q139 HydrophobicContact CB-CG 4.47Å
118	G	86.2	Confident	88.9	Confident	38 Å²	38	59.1 Å²	59.1	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	2.7	-178.1	0	0	0	0	0	114.2	Q49 V116	Q49-G118 WeakPolarHBondContact O-CA 3.33Å; Q49-G118 PolarHBondContact O-N 2.79Å; V116-G118 PolarHBondContact O-N 3.44Å
119	A	89.8	Confident	88.7	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.346	C	S	.	.			trans	-77.1	160.7	179.2	0	0	0	0	0	112	R51 V116 K117 V134 N137	R51-A119 PolarHBondContact N-O 2.92Å; V116-A119 HydrophobicContact CB-CB 4.27Å; V116-A119 WeakPolarHBondContact O-CB 3.45Å; V116-A119 PolarHBondContact O-N 3.14Å; K117-A119 VanDerWaalsContact C-N 3.26Å; A119-V134 HydrophobicContact CB-CG1 3.55Å; A119-N137 HydrophobicContact CB-CB 3.73Å
120	Q	89.4	Confident	88.5	Confident	58 Å²	58	67.3 Å²	67.3	27%	0.271	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.1	177.5	-175.5	174.2	-10.8	0	0	109.5	R51 T53 L135 N136	R51-Q120 HydrophobicContact CB-CB 4.43Å; R51-Q120 HydrophobicContact CB-CG 4.27Å; R51-Q120 CarbonylContact O-C 3.58Å; R51-Q120 VanDerWaalsContact O-CA 3.25Å; R51-Q120 WeakPolarHBondContact O-CA 3.42Å; T53-Q120 HydrophobicContact CG2-CG 4.07Å; Q120-L135 PolarHBondContact N-O 3.31Å; Q120-L135 PolarHBondContact O-N 3.26Å; Q120-N136 HydrophobicContact CB-CB 4.48Å; Q120-N136 PolarHBondContact OE1-ND2 2.96Å
121	V	90.9	Very high	88.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.3	176	-176	0	0	0	0	108.7	I50 R51 L52 T53 L72 F86	I50-V121 HydrophobicContact CG2-CG2 3.78Å; R51-V121 PolarHBondContact O-N 3.05Å; L52-V121 HydrophobicContact CD2-CB 3.78Å; L52-V121 HydrophobicContact CD2-CG1 4.22Å; L52-V121 HydrophobicContact CD2-CG2 4.48Å; T53-V121 PolarHBondContact N-O 2.84Å; T53-V121 PolarHBondContact OG1-O 3Å; L72-V121 HydrophobicContact CD2-CG2 4Å; F86-V121 HydrophobicContact CE1-CG1 4.11Å
122	D	91	Very high	88.6	Confident	30 Å²	30	61.1 Å²	61.1	16%	0.16	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.2	179	-173.5	-125.4	0	0	0	111.4	T53 F132 Q133 L135	T53-D122 VanDerWaalsContact CB-OD2 3.28Å; T53-D122 WeakPolarHBondContact CB-OD2 3.31Å; T53-D122 HydrophobicContact CG2-CB 3.93Å; T53-D122 VanDerWaalsContact CG2-OD2 3.26Å; T53-D122 WeakPolarHBondContact CG2-OD2 3.4Å; T53-D122 WeakPolarHBondContact OG1-CA 3.37Å; T53-D122 PolarHBondContact OG1-OD2 3.22Å; D122-F132 WeakPolarHBondContact O-CA 3.26Å; D122-Q133 PolarHBondContact N-O 3.35Å; D122-Q133 PolarHBondContact O-N 3.31Å; D122-Q133 VanDerWaalsContact O-O 3.11Å; D122-L135 HydrophobicContact CB-CD1 3.63Å; D122-L135 HydrophobicContact CB-CG 4.03Å
123	F	91.1	Very high	88.6	Confident	17 Å²	17	62.9 Å²	62.9	8%	0.075	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.8	173.3	177.8	-102.8	0	0	0	109.4	C56 R59 Q125 F132	C56-F123 HydrophobicContact CB-CB 4.13Å; R59-F123 HydrophobicContact CB-CB 4.49Å; R59-F123 HydrophobicContact CB-CD1 3.65Å; R59-F123 HydrophobicContact CB-CD2 4.47Å; R59-F123 HydrophobicContact CB-CE1 3.88Å; R59-F123 HydrophobicContact CB-CG 3.95Å; R59-F123 HydrophobicContact CB-CZ 4.38Å; R59-F123 VanDerWaalsContact CD-CE1 3.47Å; R59-F123 HydrophobicContact CG-CD1 3.69Å; R59-F123 HydrophobicContact CG-CD2 4.01Å; R59-F123 HydrophobicContact CG-CE1 3.44Å; R59-F123 VanDerWaalsContact CG-CE1 3.44Å; R59-F123 HydrophobicContact CG-CE2 3.79Å; R59-F123 HydrophobicContact CG-CG 3.95Å; R59-F123 HydrophobicContact CG-CZ 3.48Å; R59-F123 VanDerWaalsContact CG-CZ 3.48Å; F123-Q125 HydrophobicContact CD1-CB 4.46Å; F123-Q125 HydrophobicContact CE1-CB 3.81Å; F123-Q125 HydrophobicContact CZ-CB 4.42Å; F123-F132 HydrophobicContact CB-CD1 4Å; F123-F132 HydrophobicContact CB-CE1 4.06Å; F123-F132 AromaticContact CD2-CD1 3.63Å; F123-F132 HydrophobicContact CD2-CD1 3.63Å; F123-F132 HydrophobicContact CD2-CD2 4.23Å; F123-F132 AromaticContact CD2-CE1 3.53Å; F123-F132 HydrophobicContact CD2-CE1 3.53Å; F123-F132 HydrophobicContact CD2-CE2 4.15Å; F123-F132 AromaticContact CD2-CG 3.98Å; F123-F132 HydrophobicContact CD2-CG 3.98Å; F123-F132 AromaticContact CD2-CZ 3.8Å; F123-F132 HydrophobicContact CD2-CZ 3.8Å; F123-F132 HydrophobicContact CE2-CE1 4.33Å; F123-F132 HydrophobicContact CE2-CE2 4.26Å; F123-F132 HydrophobicContact CE2-CZ 4.15Å; F123-F132 HydrophobicContact CG-CD1 4.26Å; F123-F132 HydrophobicContact CG-CE1 4.09Å
124	S	89.5	Confident	88.6	Confident	33 Å²	33	62.5 Å²	62.5	23%	0.231	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.6	175.6	-175.9	0	0	0	0	110	S130 S131	S124-S130 WeakPolarHBondContact O-CA 3.15Å; S124-S131 PolarHBondContact N-O 2.9Å; S124-S131 PolarHBondContact O-N 3.04Å
125	Q	88.2	Confident	88.5	Confident	130 Å²	130	62.9 Å²	62.9	61%	0.607	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.3	173.6	-178.8	168.8	54.5	0	0	109.5	F123	F123-Q125 HydrophobicContact CD1-CB 4.46Å; F123-Q125 HydrophobicContact CE1-CB 3.81Å; F123-Q125 HydrophobicContact CZ-CB 4.42Å
126	E	87.9	Confident	88.4	Confident	112 Å²	112	66 Å²	66	52%	0.523	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	165.7	170.1	-63.7	177.3	-134.8	0	0	110	I128 R129	E126-I128 PolarHBondContact O-N 2.72Å; E126-R129 CarbonylContact C-O 3.53Å; E126-R129 WeakPolarHBondContact CA-O 3.28Å; E126-R129 PolarHBondContact N-O 2.87Å; E126-R129 PolarHBondContact O-N 2.89Å; E126-R129 VanDerWaalsContact O-O 3.07Å
127	L	88.7	Confident	88.3	Confident	188 Å²	188	66.8 Å²	66.8	98%	0.984	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.1	-177.4	-124.9	102.8	0	0	0	113.8
128	I	88.8	Confident	88	Confident	159 Å²	159	65.7 Å²	65.7	82%	0.815	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-10.4	-174.2	60.7	161.7	0	0	0	113.5	E126	E126-I128 PolarHBondContact O-N 2.72Å
129	R	86	Confident	87.9	Confident	145 Å²	145	68 Å²	68	55%	0.547	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	138.6	-171.8	-173.6	-179.7	167.5	101.2	-2	110.9	E126 S131	E126-R129 CarbonylContact C-O 3.53Å; E126-R129 WeakPolarHBondContact CA-O 3.28Å; E126-R129 PolarHBondContact N-O 2.87Å; E126-R129 PolarHBondContact O-N 2.89Å; E126-R129 VanDerWaalsContact O-O 3.07Å; R129-S131 PolarHBondContact NE-OG 2.85Å
130	S	88.4	Confident	87.5	Confident	59 Å²	59	69.2 Å²	69.2	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.4	169.8	-64.5	0	0	0	0	108.5	S124	S124-S130 WeakPolarHBondContact O-CA 3.15Å
131	S	88.2	Confident	86.6	Confident	20 Å²	20	71.9 Å²	71.9	14%	0.14	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142.9	178.8	49.6	0	0	0	0	112.4	S124 R129	S124-S131 PolarHBondContact N-O 2.9Å; S124-S131 PolarHBondContact O-N 3.04Å; R129-S131 PolarHBondContact NE-OG 2.85Å
132	F	90.1	Very high	85.4	Confident	39 Å²	39	78.9 Å²	78.9	17%	0.171	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141	168	-62.9	-80.5	0	0	0	110.1	R59 L60 I63 L70 F86 D122 F123	R59-F132 HydrophobicContact CG-CZ 4.38Å; L60-F132 HydrophobicContact CD2-CE1 4.3Å; L60-F132 HydrophobicContact CD2-CZ 4.15Å; L60-F132 HydrophobicContact CG-CE1 4.34Å; I63-F132 HydrophobicContact CD1-CE2 4.42Å; I63-F132 HydrophobicContact CD1-CZ 3.95Å; L70-F132 HydrophobicContact CD1-CD2 4.39Å; L70-F132 HydrophobicContact CD1-CE2 4.16Å; L70-F132 HydrophobicContact CD1-CZ 4.33Å; L70-F132 HydrophobicContact CD2-CD1 4.17Å; L70-F132 HydrophobicContact CD2-CE1 4.25Å; L70-F132 HydrophobicContact CD2-CG 4.5Å; F86-F132 HydrophobicContact CB-CD2 4.39Å; F86-F132 HydrophobicContact CD1-CB 3.79Å; F86-F132 HydrophobicContact CD1-CG 4.34Å; F86-F132 HydrophobicContact CD2-CB 3.72Å; F86-F132 HydrophobicContact CE1-CB 3.73Å; F86-F132 HydrophobicContact CE2-CB 3.69Å; F86-F132 VanDerWaalsContact CE2-O 3.3Å; F86-F132 WeakPolarHBondContact CE2-O 3.28Å; F86-F132 HydrophobicContact CG-CB 3.76Å; F86-F132 HydrophobicContact CG-CD2 4.48Å; F86-F132 HydrophobicContact CG-CG 4.38Å; F86-F132 HydrophobicContact CZ-CB 3.68Å; D122-F132 WeakPolarHBondContact O-CA 3.26Å; F123-F132 HydrophobicContact CB-CD1 4Å; F123-F132 HydrophobicContact CB-CE1 4.06Å; F123-F132 AromaticContact CD2-CD1 3.63Å; F123-F132 HydrophobicContact CD2-CD1 3.63Å; F123-F132 HydrophobicContact CD2-CD2 4.23Å; F123-F132 AromaticContact CD2-CE1 3.53Å; F123-F132 HydrophobicContact CD2-CE1 3.53Å; F123-F132 HydrophobicContact CD2-CE2 4.15Å; F123-F132 AromaticContact CD2-CG 3.98Å; F123-F132 HydrophobicContact CD2-CG 3.98Å; F123-F132 AromaticContact CD2-CZ 3.8Å; F123-F132 HydrophobicContact CD2-CZ 3.8Å; F123-F132 HydrophobicContact CE2-CE1 4.33Å; F123-F132 HydrophobicContact CE2-CE2 4.26Å; F123-F132 HydrophobicContact CE2-CZ 4.15Å; F123-F132 HydrophobicContact CG-CD1 4.26Å; F123-F132 HydrophobicContact CG-CE1 4.09Å
133	Q	88.4	Confident	84.1	Confident	45 Å²	45	80.1 Å²	80.1	21%	0.21	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151	-179.4	-58.4	-172.1	41.1	0	0	109.4	D122	D122-Q133 PolarHBondContact N-O 3.35Å; D122-Q133 PolarHBondContact O-N 3.31Å; D122-Q133 VanDerWaalsContact O-O 3.11Å
134	V	88.4	Confident	82.8	Confident	16 Å²	16	81.1 Å²	81.1	10%	0.097	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.7	174	-174.9	0	0	0	0	108.4	L72 Y84 F86 A119 N137	L72-V134 HydrophobicContact CD1-CG2 4.37Å; L72-V134 HydrophobicContact CD2-CG2 4.44Å; Y84-V134 HydrophobicContact CD1-CB 4.44Å; Y84-V134 HydrophobicContact CD1-CG2 3.78Å; Y84-V134 HydrophobicContact CD2-CB 4.01Å; Y84-V134 HydrophobicContact CD2-CG2 3.87Å; Y84-V134 HydrophobicContact CE1-CB 4.18Å; Y84-V134 HydrophobicContact CE1-CG1 4.34Å; Y84-V134 HydrophobicContact CE1-CG2 3.95Å; Y84-V134 HydrophobicContact CE2-CB 3.71Å; Y84-V134 HydrophobicContact CE2-CG1 4.42Å; Y84-V134 HydrophobicContact CE2-CG2 4.03Å; Y84-V134 HydrophobicContact CG-CB 4.36Å; Y84-V134 HydrophobicContact CG-CG2 3.74Å; F86-V134 HydrophobicContact CE1-CG2 4.41Å; F86-V134 HydrophobicContact CZ-CG2 3.78Å; A119-V134 HydrophobicContact CB-CG1 3.55Å; V134-N137 HydrophobicContact CG1-CB 4.29Å
135	L	84.8	Confident	81.6	Confident	67 Å²	67	85.9 Å²	85.9	35%	0.351	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	160.6	179.4	-55.8	-178.6	0	0	0	110.6	Q120 D122 N137	Q120-L135 PolarHBondContact N-O 3.31Å; Q120-L135 PolarHBondContact O-N 3.26Å; D122-L135 HydrophobicContact CB-CD1 3.63Å; D122-L135 HydrophobicContact CB-CG 4.03Å; L135-N137 PolarHBondContact O-N 3.04Å
136	N	83.6	Confident	80.3	Confident	124 Å²	124	83.4 Å²	83.4	66%	0.663	46%	0.461	S	S	*	.	S	Bend	trans	50.2	35.1	172	-61.9	-44.7	0	0	0	114.7	Q120 P138	Q120-N136 HydrophobicContact CB-CB 4.48Å; Q120-N136 PolarHBondContact OE1-ND2 2.96Å; N136-P138 VanDerWaalsContact O-CD 3.22Å; N136-P138 WeakPolarHBondContact O-CD 3.38Å
137	N	86.4	Confident	79.2	Confident	17 Å²	17	79.4 Å²	79.4	9%	0.091	45%	0.45	C	S	.	.			trans	-77.9	113.2	179.6	-176.9	-0.1	0	0	0	110.8	Y84 F115 A119 V134 L135 Q139 A140	Y84-N137 PolarHBondContact OH-ND2 3.2Å; F115-N137 PolarHBondContact O-ND2 3.16Å; F115-N137 PolarHBondContact O-OD1 2.93Å; A119-N137 HydrophobicContact CB-CB 3.73Å; V134-N137 HydrophobicContact CG1-CB 4.29Å; L135-N137 PolarHBondContact O-N 3.04Å; N137-Q139 PolarHBondContact O-N 3.26Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.28Å; N137-Q139 PolarHBondContact OD1-N 3.3Å; N137-A140 HydrophobicContact CB-CB 3.96Å; N137-A140 PolarHBondContact O-N 3.22Å
138	P	83.3	Confident	78.2	Confident	82 Å²	82	72.7 Å²	72.7	53%	0.532	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.6	180	30.5	-36.4	0	0	0	113.7	K117 N136	K117-P138 WeakPolarHBondContact O-CD 3.22Å; K117-P138 WeakPolarHBondContact O-CG 3.4Å; N136-P138 VanDerWaalsContact O-CD 3.22Å; N136-P138 WeakPolarHBondContact O-CD 3.38Å
139	Q	83	Confident	77.3	Confident	86 Å²	86	65.5 Å²	65.5	40%	0.402	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.4	177.4	-55	-56	-70.9	0	0	112.2	A114 F115 K117 N137	A114-Q139 WeakPolarHBondContact O-CG 3.36Å; F115-Q139 WeakPolarHBondContact O-CB 3.42Å; K117-Q139 HydrophobicContact CB-CG 4.47Å; N137-Q139 PolarHBondContact O-N 3.26Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.28Å; N137-Q139 PolarHBondContact OD1-N 3.3Å
140	A	81.3	Confident	76.8	Confident	27 Å²	27	58.7 Å²	58.7	22%	0.223	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.6	176.6	0	0	0	0	0	110.3	N137 F150	N137-A140 HydrophobicContact CB-CB 3.96Å; N137-A140 PolarHBondContact O-N 3.22Å; A140-F150 HydrophobicContact CB-CB 3.99Å; A140-F150 HydrophobicContact CB-CD2 3.48Å; A140-F150 VanDerWaalsContact CB-CD2 3.48Å; A140-F150 HydrophobicContact CB-CE2 4.25Å; A140-F150 HydrophobicContact CB-CG 3.99Å
141	Q	69.8	Low	76.1	Confident	114 Å²	114	57.7 Å²	57.7	53%	0.533	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-40.4	-178.1	-148.5	-170.3	64.1	0	0	112.3	S151 K153	Q141-S151 PolarHBondContact N-O 3.35Å; Q141-K153 HydrophobicContact CB-CB 3.98Å; Q141-K153 HydrophobicContact CG-CB 3.85Å; Q141-K153 HydrophobicContact CG-CD 4.2Å; Q141-K153 HydrophobicContact CG-CG 4.27Å; Q141-K153 VanDerWaalsContact NE2-CG 3.28Å
142	Q	66	Low	75.3	Confident	146 Å²	146	59 Å²	59	68%	0.682	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.9	122.5	179.3	-130.8	176.9	69.2	0	0	109.4	F150 S151	Q142-F150 CarbonylContact O-C 3.59Å; Q142-F150 VanDerWaalsContact O-CA 3.28Å; Q142-F150 WeakPolarHBondContact O-CA 3.18Å; Q142-S151 PolarHBondContact O-N 3.46Å
143	G	64.9	Low	74.1	Confident	57 Å²	57	64.5 Å²	64.5	59%	0.588	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.8	171.5	0	0	0	0	0	110.4
144	C	63.3	Low	72.6	Confident	37 Å²	37	72.7 Å²	72.7	25%	0.25	42%	0.422	C	S	.	.			trans	-63.2	148.4	168.9	-167.8	0	0	0	0	109.2	C146 G147 S149	C144-C146 PolarHBondContact O-N 2.78Å; C144-G147 PolarHBondContact O-N 2.9Å; C144-S149 PolarHBondContact N-O 2.93Å
145	S	63.7	Low	71.8	Confident	133 Å²	133	75.5 Å²	75.5	93%	0.93	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-17	-179.8	48.7	0	0	0	0	114.1
146	C	60.8	Low	71.2	Confident	78 Å²	78	75.9 Å²	75.9	53%	0.527	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	2.2	175.7	66.7	0	0	0	0	115	C144 S148	C144-C146 PolarHBondContact O-N 2.78Å; C146-S148 PolarHBondContact O-N 3.21Å; C146-S148 PolarHBondContact O-OG 2.91Å
147	G	65.9	Low	70.5	Confident	29 Å²	29	73.3 Å²	73.3	30%	0.299	43%	0.431	S	S	.	.	S	Bend	trans	67.2	-1.8	174.5	0	0	0	0	0	116.3	C144	C144-G147 PolarHBondContact O-N 2.9Å
148	S	67.3	Low	69.5	Low	46 Å²	46	76.6 Å²	76.6	32%	0.322	45%	0.451	S	S	.	.	S	Bend	trans	-97.6	-4.7	-172.9	-57.8	0	0	0	0	113.8	Q83 C146	Q83-S148 WeakPolarHBondContact CG-O 3.42Å; Q83-S148 PolarHBondContact NE2-O 3.01Å; C146-S148 PolarHBondContact O-N 3.21Å; C146-S148 PolarHBondContact O-OG 2.91Å
149	S	69.6	Low	68.7	Low	8 Å²	8	76.3 Å²	76.3	6%	0.056	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.6	-178.8	-65.4	0	0	0	0	111.2	F82 Q83 C144	F82-S149 CarbonylContact O-C 3.48Å; F82-S149 WeakPolarHBondContact O-CA 3.28Å; F82-S149 VanDerWaalsContact O-CB 3.29Å; F82-S149 WeakPolarHBondContact O-CB 3.29Å; Q83-S149 PolarHBondContact NE2-OG 2.96Å; C144-S149 PolarHBondContact N-O 2.93Å
150	F	74.9	Confident	67.7	Low	3 Å²	3	75.6 Å²	75.6	1%	0.013	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.3	179.4	69.7	-75.8	0	0	0	112	V74 F82 Y84 F115 A140 Q142 I152	V74-F150 HydrophobicContact CG1-CE1 4.06Å; V74-F150 HydrophobicContact CG1-CZ 3.85Å; F82-F150 HydrophobicContact CB-CD1 4.11Å; F82-F150 HydrophobicContact CB-CE1 3.71Å; F82-F150 HydrophobicContact CB-CE2 4.28Å; F82-F150 HydrophobicContact CB-CZ 3.83Å; F82-F150 HydrophobicContact CG-CZ 4.49Å; F82-F150 PolarHBondContact N-O 2.8Å; F82-F150 PolarHBondContact O-N 3.07Å; Y84-F150 AromaticContact CD1-CE1 3.86Å; Y84-F150 HydrophobicContact CD1-CE1 3.86Å; Y84-F150 HydrophobicContact CD2-CD1 4.03Å; Y84-F150 HydrophobicContact CD2-CE1 4.14Å; Y84-F150 AromaticContact CE1-CD1 3.89Å; Y84-F150 HydrophobicContact CE1-CD1 3.89Å; Y84-F150 AromaticContact CE1-CE1 3.22Å; Y84-F150 HydrophobicContact CE1-CE1 3.22Å; Y84-F150 AromaticContact CE1-CZ 3.72Å; Y84-F150 HydrophobicContact CE1-CZ 3.72Å; Y84-F150 AromaticContact CE2-CD1 3.29Å; Y84-F150 HydrophobicContact CE2-CD1 3.29Å; Y84-F150 AromaticContact CE2-CE1 3.57Å; Y84-F150 HydrophobicContact CE2-CE1 3.57Å; Y84-F150 HydrophobicContact CE2-CG 4.18Å; Y84-F150 HydrophobicContact CG-CE1 4.28Å; Y84-F150 AromaticContact CZ-CD1 3.22Å; Y84-F150 AromaticContact CZ-CE1 3.07Å; Y84-F150 AromaticContact CZ-CZ 3.73Å; Y84-F150 VanDerWaalsContact OH-CD1 3.28Å; Y84-F150 WeakPolarHBondContact OH-CD1 3.28Å; Y84-F150 VanDerWaalsContact OH-CE1 3.28Å; Y84-F150 WeakPolarHBondContact OH-CE1 3.49Å; F115-F150 HydrophobicContact CB-CZ 4.3Å; A140-F150 HydrophobicContact CB-CB 3.99Å; A140-F150 HydrophobicContact CB-CD2 3.48Å; A140-F150 VanDerWaalsContact CB-CD2 3.48Å; A140-F150 HydrophobicContact CB-CE2 4.25Å; A140-F150 HydrophobicContact CB-CG 3.99Å; Q142-F150 CarbonylContact O-C 3.59Å; Q142-F150 VanDerWaalsContact O-CA 3.28Å; Q142-F150 WeakPolarHBondContact O-CA 3.18Å; F150-I152 HydrophobicContact CD2-CG2 4.26Å; F150-I152 HydrophobicContact CE2-CG2 3.7Å
151	S	74.8	Confident	66.7	Low	37 Å²	37	79.1 Å²	79.1	26%	0.259	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.5	169.1	-59.2	0	0	0	0	110.3	S80 Q141 Q142	S80-S151 WeakPolarHBondContact CB-OG 3.49Å; S80-S151 PolarHBondContact O-OG 2.76Å; Q141-S151 PolarHBondContact N-O 3.35Å; Q142-S151 PolarHBondContact O-N 3.46Å
152	I	71.5	Confident	66.5	Low	48 Å²	48	76.4 Å²	76.4	25%	0.246	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	148.2	177.8	60.4	175.2	0	0	0	111.3	F82 F115 F150 L154	F82-I152 HydrophobicContact CD2-CG1 4.3Å; F82-I152 HydrophobicContact CD2-CG2 3.83Å; F82-I152 HydrophobicContact CE2-CB 4.31Å; F82-I152 HydrophobicContact CE2-CD1 3.57Å; F82-I152 HydrophobicContact CE2-CG1 3.62Å; F82-I152 HydrophobicContact CE2-CG2 3.86Å; F82-I152 HydrophobicContact CG-CG2 4.43Å; F82-I152 HydrophobicContact CZ-CD1 3.7Å; F82-I152 HydrophobicContact CZ-CG1 4.27Å; F82-I152 HydrophobicContact CZ-CG2 4.44Å; F115-I152 HydrophobicContact CD1-CG2 3.7Å; F115-I152 HydrophobicContact CE1-CD1 4.23Å; F115-I152 HydrophobicContact CE1-CG2 3.92Å; F150-I152 HydrophobicContact CD2-CG2 4.26Å; F150-I152 HydrophobicContact CE2-CG2 3.7Å; I152-L154 HydrophobicContact CD1-CD1 4.05Å; I152-L154 PolarHBondContact O-N 3.15Å
153	K	64.9	Low	66.6	Low	154 Å²	154	70.6 Å²	70.6	67%	0.67	44%	0.441	S	S	*	.			trans	-82.5	101.3	169.9	-179.4	158.6	-171.2	178.5	0	108.1	Q141	Q141-K153 HydrophobicContact CB-CB 3.98Å; Q141-K153 HydrophobicContact CG-CB 3.85Å; Q141-K153 HydrophobicContact CG-CD 4.2Å; Q141-K153 HydrophobicContact CG-CG 4.27Å; Q141-K153 VanDerWaalsContact NE2-CG 3.28Å
154	L	57	Low	66.7	Low	217 Å²	217	71.8 Å²	71.8	100%	1.136	43%	0.428	S	S	*	.			trans	-71.3	0	169.8	-140	79.4	0	0	0	110.8	I152	I152-L154 HydrophobicContact CD1-CD1 4.05Å; I152-L154 PolarHBondContact O-N 3.15Å

Retrieved 154 of 154 residues in 149 ms (Link to these results)

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