A0AA82MGB6_SCHMA Loading...

Transformer-2-related AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MGB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	55	Low	51.8	Low	237 Å²	237	158.2 Å²	158.2	100%	1.167	83%	0.831	S	S	*	*				0	110.6	0	-64.4	144.7	171.8	0	0	105.6
2	R	49.7	Very low	50.8	Low	238 Å²	238	149.8 Å²	149.8	90%	0.898	81%	0.811	S	S	*	*				41.9	118.8	63.5	-61.8	-166.1	-171.1	-128.7	7	109.7
3	R	50.1	Low	49.9	Very low	224 Å²	224	152.1 Å²	152.1	85%	0.845	80%	0.803	S	S	*	*			cis	-149.5	131.9	26.4	-62.1	179.1	-171.6	-158	-0.2	108
4	T	54.2	Low	49.4	Very low	127 Å²	127	158.1 Å²	158.1	78%	0.779	81%	0.809	S	S	*	*				46.1	116.6	89.6	63.9	0	0	0	0	116.9
5	D	54.4	Low	48.6	Very low	164 Å²	164	158.5 Å²	158.5	88%	0.877	81%	0.814	S	S	*	*			trans	-149.1	105.1	152.7	-92	-43.4	0	0	0	113.2
6	S	58	Low	48.2	Very low	105 Å²	105	155.7 Å²	155.7	73%	0.734	81%	0.813	S	S	*	*			trans	26.6	128.8	143.4	-47.6	0	0	0	0	124.3
7	P	57.5	Low	47.7	Very low	127 Å²	127	154.1 Å²	154.1	83%	0.825	81%	0.81	S	S	*	*			trans	-110.8	133.5	164.8	37.2	-27	0	0	0	114.5
8	I	52.7	Low	47.2	Very low	152 Å²	152	151.5 Å²	151.5	78%	0.779	81%	0.807	S	S	*	*			trans	-152.6	136.4	-178.2	-73.2	-173.2	0	0	0	107.8
9	T	50.5	Low	47	Very low	134 Å²	134	149.4 Å²	149.4	82%	0.822	80%	0.803	S	S	*	*			cis	-151.4	173.8	-8.5	16.7	0	0	0	0	110.6
10	S	42.9	Very low	46.4	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	81%	0.806	S	S	*	*			trans	-96.2	153.8	176.4	56.2	0	0	0	0	115.2
11	N	45.4	Very low	46.1	Very low	129 Å²	129	151.9 Å²	151.9	69%	0.69	81%	0.808	S	S	*	*			trans	-164.4	134.1	138.5	-92.7	-15.4	0	0	0	106.2	Y13	N11-Y13 HydrophobicContact CB-CE2 4.36Å; N11-Y13 PolarHBondContact OD1-OH 2.75Å
12	G	39.7	Very low	45.1	Very low	58 Å²	58	151.1 Å²	151.1	60%	0.598	79%	0.792	S	S	*	*				92.6	129	56	0	0	0	0	0	108.4
13	Y	39.3	Very low	44.3	Very low	179 Å²	179	151.7 Å²	151.7	70%	0.702	79%	0.794	S	S	*	*			cis	-160.8	151.6	16.8	-60	-86.2	0	0	0	113.6	N11	N11-Y13 HydrophobicContact CB-CE2 4.36Å; N11-Y13 PolarHBondContact OD1-OH 2.75Å
14	R	42.4	Very low	43.5	Very low	237 Å²	237	149 Å²	149	89%	0.894	79%	0.786	S	S	*	*			trans	68.7	117.6	141.9	-72.2	169.4	-174	-116.2	-1.4	122.2
15	N	37.5	Very low	42.6	Very low	163 Å²	163	148.6 Å²	148.6	87%	0.872	79%	0.787	S	S	*	*			trans	-63.2	156.3	162.6	-52.9	-66.4	0	0	0	114.6
16	S	41.6	Very low	41.7	Very low	114 Å²	114	150.5 Å²	150.5	80%	0.797	78%	0.782	S	S	*	*			trans	-153.4	109.5	132.9	46.2	0	0	0	0	114.9
17	V	40.6	Very low	40.7	Very low	128 Å²	128	151 Å²	151	78%	0.776	79%	0.786	S	S	*	*				53.4	102.2	126.6	-166	0	0	0	0	120.7
18	S	38.9	Very low	39.9	Very low	108 Å²	108	156.4 Å²	156.4	76%	0.755	79%	0.79	S	S	*	*				31.6	165.7	112.2	-57.1	0	0	0	0	122.7
19	P	43.6	Very low	39.2	Very low	111 Å²	111	153.6 Å²	153.6	72%	0.721	78%	0.784	S	S	*	*			cis	-140	178.8	-32.1	37.1	-17.9	0	0	0	115.4
20	R	35	Very low	38.9	Very low	231 Å²	231	158.1 Å²	158.1	87%	0.872	79%	0.786	S	S	*	*			trans	27.5	120.6	150.1	-73.7	179.1	166	-175	-0.9	120.5
21	S	38.8	Very low	38.6	Very low	121 Å²	121	158.5 Å²	158.5	85%	0.846	79%	0.789	S	S	*	*				-161.6	130	125.7	52.5	0	0	0	0	115.5
22	R	33.9	Very low	38.7	Very low	221 Å²	221	162.4 Å²	162.4	83%	0.834	80%	0.799	S	S	*	*			trans	-55.8	142	158.6	-53	158.4	-174.7	168.6	0.9	111.2
23	R	34.2	Very low	38.4	Very low	250 Å²	250	164.3 Å²	164.3	94%	0.943	80%	0.804	S	S	*	*				173.9	155	110.3	-94.4	176.9	-176.2	-177.9	2.4	113.9
24	Y	32.1	Very low	38.5	Very low	168 Å²	168	164.3 Å²	164.3	66%	0.659	81%	0.81	S	S	*	*			trans	-80.8	143.9	-176.9	163.1	-82.2	0	0	0	113.3	R26	Y24-R26 HydrophobicContact CE1-CG 4.44Å; Y24-R26 HydrophobicContact CE2-CG 4.46Å; Y24-R26 PolarHBondContact OH-NE 2.93Å; Y24-R26 PolarHBondContact OH-NH1 3.27Å; Y24-R26 PolarHBondContact OH-NH2 2.7Å
25	S	36	Very low	38.6	Very low	117 Å²	117	157.5 Å²	157.5	82%	0.818	80%	0.798	S	S	*	*			trans	-160.9	146	147.9	47.4	0	0	0	0	112.8
26	R	35.6	Very low	38.5	Very low	204 Å²	204	161.2 Å²	161.2	77%	0.77	80%	0.8	S	S	*	*			trans	-100.8	144.3	-176.9	-63.1	163.5	163.9	154.5	-3	111.2	Y24	Y24-R26 HydrophobicContact CE1-CG 4.44Å; Y24-R26 HydrophobicContact CE2-CG 4.46Å; Y24-R26 PolarHBondContact OH-NE 2.93Å; Y24-R26 PolarHBondContact OH-NH1 3.27Å; Y24-R26 PolarHBondContact OH-NH2 2.7Å
27	S	37.7	Very low	38.4	Very low	116 Å²	116	165.9 Å²	165.9	81%	0.811	80%	0.8	S	S	*	*			trans	-166.6	125.4	141.3	38.7	0	0	0	0	109.5
28	R	39.6	Very low	38.1	Very low	240 Å²	240	170.5 Å²	170.5	91%	0.906	81%	0.805	S	S	*	*				90	94.4	52.7	-93.6	-170.7	172.3	174.1	-2.1	114.7
29	S	37.3	Very low	38.2	Very low	94 Å²	94	175.7 Å²	175.7	66%	0.657	81%	0.808	S	S	*	*				107.2	148.1	124.8	-34.6	0	0	0	0	120.8
30	R	44.4	Very low	37.7	Very low	229 Å²	229	176.5 Å²	176.5	86%	0.864	82%	0.816	S	S	*	*			trans	87.8	87.3	145	-73.2	155.9	-174.7	-173.1	-0.7	120.4
31	S	37.4	Very low	38	Very low	111 Å²	111	177 Å²	177	78%	0.776	82%	0.819	S	S	*	*				39.6	128.4	113.2	-41.8	0	0	0	0	121
32	K	47.5	Very low	37.8	Very low	211 Å²	211	177.8 Å²	177.8	92%	0.917	82%	0.824	S	S	*	*				-168	163.7	113.5	-104	165.3	-176.6	-177.8	0	113.2
33	S	34	Very low	38	Very low	98 Å²	98	170.7 Å²	170.7	69%	0.685	82%	0.819	S	S	*	*			trans	-100.1	165.7	-165.5	39	0	0	0	0	114
34	H	41.4	Very low	38.3	Very low	179 Å²	179	164 Å²	164	83%	0.829	81%	0.811	S	S	*	*			trans	147.4	148.1	150.3	-85.9	78.2	0	0	0	109
35	S	43.1	Very low	38.6	Very low	94 Å²	94	166.9 Å²	166.9	66%	0.657	82%	0.821	S	S	*	*			cis	-158.3	160.2	-17.8	54.3	0	0	0	0	108.2
36	R	36.9	Very low	38.8	Very low	240 Å²	240	166.8 Å²	166.8	91%	0.906	81%	0.811	S	S	*	*			trans	-73.6	129.1	177.9	-58.9	179.8	-170	172.4	3.5	109.9
37	R	39.1	Very low	39.2	Very low	212 Å²	212	167 Å²	167	80%	0.8	82%	0.818	S	S	*	*			trans	-145.9	98.9	161.5	-163.8	168.8	-79.4	-177.7	-6	111.2	R39	R37-R39 PolarHBondContact O-N 3.01Å
38	Y	34.7	Very low	39.6	Very low	226 Å²	226	172.6 Å²	172.6	89%	0.886	82%	0.823	S	S	*	*			trans	-59.4	125.4	161.5	-81.9	-93.7	0	0	0	108.7
39	R	40.3	Very low	39.7	Very low	217 Å²	217	171.4 Å²	171.4	82%	0.819	82%	0.818	S	S	*	*			trans	-152.3	110.7	159.6	-116.1	179	-175.3	-175.9	0.6	109.8	R37 R41	R37-R39 PolarHBondContact O-N 3.01Å; R39-R41 PolarHBondContact O-N 3.24Å
40	S	32.6	Very low	39.9	Very low	127 Å²	127	178 Å²	178	89%	0.888	83%	0.829	S	S	*	*			trans	-62.7	118.8	179.1	-35.9	0	0	0	0	110.4
41	R	41.4	Very low	40	Very low	243 Å²	243	172.8 Å²	172.8	92%	0.917	83%	0.827	S	S	*	*			trans	-140.6	129.1	163	-77.5	-167.4	166.6	178.2	-6.2	109.6	R39 G43	R39-R41 PolarHBondContact O-N 3.24Å; R41-G43 PolarHBondContact O-N 3.06Å
42	S	33.8	Very low	40.4	Very low	137 Å²	137	173.5 Å²	173.5	96%	0.958	83%	0.829	S	S	*	*			trans	-55.2	123.4	178.5	-56.5	0	0	0	0	111.2
43	G	38.9	Very low	40.3	Very low	71 Å²	71	166.5 Å²	166.5	73%	0.732	82%	0.818	S	S	*	*			trans	-134.2	112.7	170.7	0	0	0	0	0	107.9	R41	R41-G43 PolarHBondContact O-N 3.06Å
44	S	39.7	Very low	40.7	Very low	111 Å²	111	172.5 Å²	172.5	78%	0.776	83%	0.827	S	S	*	*			trans	-58.5	145	-170.2	-173	0	0	0	0	112.9	D46	S44-D46 PolarHBondContact O-N 3.21Å
45	R	38.8	Very low	40.6	Very low	228 Å²	228	166.9 Å²	166.9	86%	0.86	82%	0.817	S	S	*	*			trans	-38.1	122.4	159.2	-56.2	154.3	-179.8	158.9	-1.4	109.8
46	D	41	Very low	40.5	Very low	115 Å²	115	172.2 Å²	172.2	62%	0.615	82%	0.824	S	S	*	*			trans	175.4	60.1	152.1	-93.5	-28.1	0	0	0	114.2	S44	S44-D46 PolarHBondContact O-N 3.21Å
47	F	44.2	Very low	40.6	Very low	207 Å²	207	172.5 Å²	172.5	91%	0.908	83%	0.825	S	S	*	*			trans	-102	4.8	170.3	-80.9	-78	0	0	0	114.7	R49	F47-R49 PolarHBondContact O-N 2.82Å; F47-R49 VanDerWaalsContact O-N 3.16Å
48	Y	44.8	Very low	41	Very low	235 Å²	235	165.6 Å²	165.6	92%	0.922	81%	0.81	S	S	*	*			trans	-83.7	36	168.1	-65.3	-73	0	0	0	112.5	R50	Y48-R50 PolarHBondContact O-N 3.23Å
49	R	42.8	Very low	41.6	Very low	214 Å²	214	160.9 Å²	160.9	81%	0.808	81%	0.809	S	S	*	*			trans	-71.5	93.4	179.9	-78.8	-166.4	179.7	-152.1	0.1	111.6	F47	F47-R49 PolarHBondContact O-N 2.82Å; F47-R49 VanDerWaalsContact O-N 3.16Å
50	R	41	Very low	41.9	Very low	232 Å²	232	152.3 Å²	152.3	88%	0.875	79%	0.789	S	S	*	*			trans	42.2	90.9	144.2	-67	-179.4	169.8	-164.3	-2.5	116.2	Y48 P52	Y48-R50 PolarHBondContact O-N 3.23Å; R50-P52 WeakPolarHBondContact O-CD 3.38Å
51	S	46.7	Very low	42.7	Very low	120 Å²	120	156.8 Å²	156.8	84%	0.839	79%	0.786	S	S	*	*			trans	-70.6	122.6	148.6	-51.2	0	0	0	0	109.1	G53	S51-G53 PolarHBondContact O-N 3.37Å
52	P	46.1	Very low	43.1	Very low	126 Å²	126	154.6 Å²	154.6	82%	0.818	78%	0.784	S	S	*	*			trans	-72.2	92.9	172.5	-15.2	31.6	0	0	0	109.4	R50 Y54	R50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-Y54 PolarHBondContact O-N 3.14Å
53	G	44.2	Very low	44	Very low	65 Å²	65	157.7 Å²	157.7	67%	0.67	77%	0.774	S	S	*	*			trans	-66	115.4	178	0	0	0	0	0	111.4	S51	S51-G53 PolarHBondContact O-N 3.37Å
54	Y	43.3	Very low	44.6	Very low	223 Å²	223	161.1 Å²	161.1	88%	0.875	77%	0.769	S	S	*	*			trans	-58.3	144.6	164.4	50.3	-88.7	0	0	0	110.7	P52	P52-Y54 PolarHBondContact O-N 3.14Å
55	G	38.7	Very low	45	Very low	61 Å²	61	162.7 Å²	162.7	63%	0.629	77%	0.768	S	S	*	*	S	Bend	trans	95.7	131.3	168.7	0	0	0	0	0	115.9
56	Y	40.9	Very low	45.7	Very low	206 Å²	206	154 Å²	154	81%	0.808	75%	0.75	S	S	*	*			trans	53.3	90.4	172.1	95.3	-77.6	0	0	0	117.9	S58	Y56-S58 PolarHBondContact O-N 2.88Å
57	R	38.9	Very low	46.3	Very low	247 Å²	247	153.9 Å²	153.9	93%	0.932	76%	0.755	S	S	*	*			trans	-59	98.1	151.5	-79	-176.6	172.8	-159.1	-0.3	108.6	S59	R57-S59 PolarHBondContact O-N 3.33Å
58	S	48	Very low	46.9	Very low	67 Å²	67	150.5 Å²	150.5	47%	0.469	74%	0.736	S	S	.	*			trans	-76	56.8	174.2	-168	0	0	0	0	112.3	Y56 G60	Y56-S58 PolarHBondContact O-N 2.88Å; S58-G60 PolarHBondContact O-N 3.46Å
59	S	47.1	Very low	47.6	Very low	126 Å²	126	144.6 Å²	144.6	88%	0.881	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	32	173.6	-169.2	0	0	0	0	112.8	R57	R57-S59 PolarHBondContact O-N 3.33Å
60	G	46.9	Very low	48.5	Very low	38 Å²	38	140.4 Å²	140.4	39%	0.392	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.9	19.2	-167.5	0	0	0	0	0	113.9	S58 K62	S58-G60 PolarHBondContact O-N 3.46Å; G60-K62 PolarHBondContact O-N 3.42Å
61	R	48.9	Very low	50	Low	220 Å²	220	130.5 Å²	130.5	83%	0.83	68%	0.676	S	S	*	*			trans	-76.2	7.1	168.6	-89.9	-162.5	-171.3	-176.7	6.4	114.1	R63 L65	R61-R63 PolarHBondContact O-N 2.84Å; R61-L65 WeakPolarHBondContact O-CD1 3.5Å
62	K	49.5	Very low	51.6	Low	198 Å²	198	130 Å²	130	86%	0.861	67%	0.669	S	S	*	*			trans	-71.2	41.2	162.7	-74.7	-166.8	173.4	-173.4	0	112.8	G60 F64	G60-K62 PolarHBondContact O-N 3.42Å; K62-F64 PolarHBondContact O-N 3.18Å; K62-F64 VanDerWaalsContact O-N 3.14Å
63	R	52.6	Low	53.5	Low	201 Å²	201	127.1 Å²	127.1	76%	0.758	65%	0.65	S	S	*	*	S	Bend	trans	-83.1	88.9	172.6	-66.3	-177.6	-172.1	167.4	-0.1	108.2	R61	R61-R63 PolarHBondContact O-N 2.84Å
64	F	51.7	Low	55.6	Low	143 Å²	143	124.2 Å²	124.2	63%	0.627	62%	0.619	S	S	*	*			trans	67	53.5	172.5	-48.2	-84.4	0	0	0	116.1	K62 G66 R68	K62-F64 PolarHBondContact O-N 3.18Å; K62-F64 VanDerWaalsContact O-N 3.14Å; F64-G66 PolarHBondContact O-N 3.3Å; F64-R68 VanDerWaalsContact CB-CZ 3.48Å
65	L	49.9	Very low	57.8	Low	145 Å²	145	117.1 Å²	117.1	76%	0.759	59%	0.591	S	S	*	*			trans	-84.4	48.3	160.7	-69.1	95.6	0	0	0	111.5	R61	R61-L65 WeakPolarHBondContact O-CD1 3.5Å
66	G	53.7	Low	60.3	Low	46 Å²	46	114.2 Å²	114.2	47%	0.474	56%	0.561	S	S	.	*	S	Bend	trans	-95.8	169	160.4	0	0	0	0	0	109.6	F64 R68	F64-G66 PolarHBondContact O-N 3.3Å; G66-R68 PolarHBondContact O-N 3Å
67	P	53	Low	62.7	Low	111 Å²	111	104.4 Å²	104.4	72%	0.721	52%	0.523	S	S	*	.			trans	-70.5	76.7	178.4	30.6	-35.5	0	0	0	111.5	E69 N70	P67-E69 PolarHBondContact O-N 3.02Å; P67-N70 CarbonylContact O-C 3.53Å; P67-N70 PolarHBondContact O-N 2.88Å; P67-N70 VanDerWaalsContact O-N 3.16Å
68	R	56.2	Low	65.3	Low	136 Å²	136	92.7 Å²	92.7	51%	0.513	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.5	178.8	-89.2	-176.7	156.3	168.8	-5.8	114.6	F64 G66	F64-R68 VanDerWaalsContact CB-CZ 3.48Å; G66-R68 PolarHBondContact O-N 3Å
69	E	60.1	Low	67.4	Low	112 Å²	112	89.5 Å²	89.5	52%	0.523	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.9	-179.1	-50.2	-52.2	111.1	0	0	112.2	P67 R147	P67-E69 PolarHBondContact O-N 3.02Å; E69-R147 IonicContact OE1-CZ 3.72Å; E69-R147 IonicContact OE1-NH1 3.8Å; E69-R147 PolarHBondContact OE1-NH1 3.34Å; E69-R147 IonicContact OE1-NH2 3.79Å; E69-R147 PolarHBondContact OE1-NH2 2.81Å; E69-R147 VanDerWaalsContact OE1-NH2 3.16Å; E69-R147 IonicContact OE2-CZ 3.68Å; E69-R147 IonicContact OE2-NH1 3.01Å; E69-R147 PolarHBondContact OE2-NH1 3.33Å; E69-R147 IonicContact OE2-NH2 2.7Å
70	N	62.1	Low	69.6	Low	125 Å²	125	87 Å²	87	67%	0.668	43%	0.43	S	S	*	.	S	Bend	trans	-136.5	66.8	-179.9	-70.5	-50.3	0	0	0	112.7	P67	P67-N70 CarbonylContact O-C 3.53Å; P67-N70 PolarHBondContact O-N 2.88Å; P67-N70 VanDerWaalsContact O-N 3.16Å
71	P	70.7	Confident	71.7	Confident	24 Å²	24	86.8 Å²	86.8	16%	0.156	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-62.2	151.7	165.2	26.3	-32.2	0	0	0	111.2	D149 F150	P71-D149 HydrophobicContact CG-CB 4.43Å; P71-F150 HydrophobicContact CB-CB 4.08Å; P71-F150 WeakPolarHBondContact CB-O 3.27Å; P71-F150 HydrophobicContact CG-CB 3.81Å; P71-F150 HydrophobicContact CG-CD2 4.17Å; P71-F150 HydrophobicContact CG-CG 4.48Å; P71-F150 VanDerWaalsContact CG-O 3.29Å; P71-F150 WeakPolarHBondContact CG-O 3.42Å
72	T	80.8	Confident	73.7	Confident	110 Å²	110	76.3 Å²	76.3	68%	0.675	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-56.4	136.8	172.6	42.8	0	0	0	0	110.4	S74 F150	T72-S74 PolarHBondContact O-N 2.92Å; T72-S74 VanDerWaalsContact O-N 3.15Å; T72-F150 WeakPolarHBondContact O-CB 3.33Å
73	P	86.3	Confident	75.7	Confident	65 Å²	65	67.7 Å²	67.7	42%	0.422	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-63.3	119.9	-179.2	26.7	-34.1	0	0	0	110.4	V126 K130 F150	P73-V126 HydrophobicContact CB-CG1 3.96Å; P73-K130 HydrophobicContact CB-CD 4.35Å; P73-K130 HydrophobicContact CB-CG 4.12Å; P73-F150 HydrophobicContact CB-CD2 4.34Å; P73-F150 HydrophobicContact CB-CE1 4.35Å; P73-F150 HydrophobicContact CB-CE2 3.94Å; P73-F150 HydrophobicContact CB-CZ 3.97Å
74	S	87.7	Confident	77.5	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.028	34%	0.341	C	S	.	.			trans	-124.3	166.7	180	-172.5	0	0	0	0	110	T72 C76 A129	T72-S74 PolarHBondContact O-N 2.92Å; T72-S74 VanDerWaalsContact O-N 3.15Å; S74-C76 VanDerWaalsContact C-N 3.25Å; S74-A129 WeakPolarHBondContact O-CB 3.29Å
75	R	90.7	Very high	79.3	Confident	74 Å²	74	63.4 Å²	63.4	28%	0.279	35%	0.345	S	S	.	.	S	Bend	trans	-69.8	-22.4	172	-63.9	-168.7	-56.6	101.5	-7.9	113.1	E102 F123 T124 V126	R75-E102 IonicContact CZ-OE1 3.74Å; R75-E102 IonicContact CZ-OE2 2.78Å; R75-E102 IonicContact NH1-OE1 3.91Å; R75-E102 PolarHBondContact NH1-OE1 2.59Å; R75-E102 IonicContact NH1-OE2 3.71Å; R75-E102 PolarHBondContact NH1-OE2 3.45Å; R75-E102 IonicContact NH2-OE2 2.71Å; R75-F123 WeakPolarHBondContact CB-O 3.49Å; R75-F123 PolarHBondContact NH1-O 3.18Å; R75-F123 PolarHBondContact O-N 3.33Å; R75-T124 WeakPolarHBondContact CD-O 3.43Å; R75-V126 HydrophobicContact CG-CG2 3.46Å; R75-V126 VanDerWaalsContact CG-CG2 3.46Å
76	C	90.8	Very high	81.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.007	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.9	178.5	-179.9	0	0	0	0	111.1	S74 V121 Y122 S151	S74-C76 VanDerWaalsContact C-N 3.25Å; C76-V121 WeakPolarHBondContact CA-O 3.44Å; C76-Y122 HydrophobicContact CB-CD1 3.85Å; C76-Y122 HydrophobicContact CB-CE1 3.73Å; C76-Y122 WeakPolarHBondContact SG-CE1 3.4Å; C76-S151 PolarHBondContact O-N 3.39Å; C76-S151 WeakPolarHBondContact SG-CB 3.21Å
77	L	92.2	Very high	83	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.8	178.4	-167.7	172.5	0	0	0	108.8	V79 F95 F120 V121 F123 A132 K133 C148 D149	L77-V79 HydrophobicContact CD2-CG2 3.62Å; L77-F95 HydrophobicContact CD1-CE1 4.1Å; L77-F120 WeakPolarHBondContact O-CA 3.47Å; L77-V121 PolarHBondContact N-O 3.05Å; L77-V121 PolarHBondContact O-N 3.4Å; L77-F123 HydrophobicContact CB-CE2 4.27Å; L77-F123 HydrophobicContact CD1-CE2 4.09Å; L77-A132 HydrophobicContact CD1-CB 3.76Å; L77-K133 HydrophobicContact CD1-CB 4.21Å; L77-C148 HydrophobicContact CD2-CB 3.8Å; L77-D149 CarbonylContact C-O 3.57Å; L77-D149 WeakPolarHBondContact CA-O 3.42Å
78	G	92.5	Very high	84.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.8	173.7	0	0	0	0	0	111.4	F80 D149	G78-F80 WeakPolarHBondContact O-CD2 3.45Å; G78-F80 WeakPolarHBondContact O-CE2 3.46Å; G78-D149 PolarHBondContact N-O 3.11Å; G78-D149 PolarHBondContact O-N 3.06Å; G78-D149 VanDerWaalsContact O-N 3.09Å
79	V	92.8	Very high	86.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.4	-180	-167.7	0	0	0	0	109.3	L77 L82 F95 F118 G119 V121 I146	L77-V79 HydrophobicContact CD2-CG2 3.62Å; V79-L82 HydrophobicContact CB-CD1 4.46Å; V79-L82 HydrophobicContact CG1-CD1 4.37Å; V79-L82 HydrophobicContact CG1-CD2 3.68Å; V79-L82 HydrophobicContact CG1-CG 4.11Å; V79-F95 HydrophobicContact CG1-CE2 4.37Å; V79-F95 HydrophobicContact CG1-CZ 4.38Å; V79-F95 HydrophobicContact CG2-CE2 3.66Å; V79-F95 HydrophobicContact CG2-CZ 3.65Å; V79-F118 CarbonylContact O-C 3.54Å; V79-F118 WeakPolarHBondContact O-CA 3.3Å; V79-F118 VanDerWaalsContact O-CB 3.27Å; V79-F118 WeakPolarHBondContact O-CB 3.31Å; V79-G119 PolarHBondContact N-O 3.38Å; V79-G119 PolarHBondContact O-N 3.43Å; V79-V121 HydrophobicContact CG2-CG2 4.05Å; V79-I146 HydrophobicContact CG1-CB 4.28Å; V79-I146 HydrophobicContact CG1-CD1 3.81Å
80	F	92	Very high	88.2	Confident	74 Å²	74	55 Å²	55	33%	0.325	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.7	-176.2	-53	-83.2	0	0	0	111.3	G78 F118 I146 R147 D149	G78-F80 WeakPolarHBondContact O-CD2 3.45Å; G78-F80 WeakPolarHBondContact O-CE2 3.46Å; F80-F118 HydrophobicContact CD1-CB 3.65Å; F80-F118 HydrophobicContact CD1-CD2 4.35Å; F80-F118 HydrophobicContact CD1-CG 4.13Å; F80-F118 HydrophobicContact CE1-CB 4.28Å; F80-F118 HydrophobicContact CE1-CD2 4.16Å; F80-F118 HydrophobicContact CE1-CG 4.39Å; F80-F118 HydrophobicContact CG-CB 4.4Å; F80-I146 CarbonylContact O-C 3.59Å; F80-I146 WeakPolarHBondContact O-CA 3.41Å; F80-R147 HydrophobicContact CB-CB 4.33Å; F80-R147 HydrophobicContact CD2-CG 4.46Å; F80-R147 PolarHBondContact N-O 3.16Å; F80-R147 PolarHBondContact O-N 3.06Å; F80-D149 HydrophobicContact CE2-CB 4.38Å
81	G	91.1	Very high	89.7	Confident	32 Å²	32	49.1 Å²	49.1	33%	0.33	25%	0.249	S	C	.	.	S	Bend	trans	96.9	-2.2	176.7	0	0	0	0	0	114.8	G117 R144	G81-G117 PolarHBondContact N-O 2.92Å; G81-R144 PolarHBondContact O-NH1 3.38Å; G81-R144 VanDerWaalsContact O-NH1 3.13Å
82	L	92.5	Very high	90.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.263	C	S	.	.			trans	-50.3	150.6	179.3	-58.3	177.9	0	0	0	113	V79 T86 L91 L106 G117 I141 R144 I146	V79-L82 HydrophobicContact CB-CD1 4.46Å; V79-L82 HydrophobicContact CG1-CD1 4.37Å; V79-L82 HydrophobicContact CG1-CD2 3.68Å; V79-L82 HydrophobicContact CG1-CG 4.11Å; L82-T86 HydrophobicContact CD2-CG2 4.42Å; L82-L91 HydrophobicContact CD1-CD1 3.84Å; L82-L91 HydrophobicContact CD1-CD2 4.01Å; L82-L91 HydrophobicContact CD1-CG 4.41Å; L82-L91 HydrophobicContact CD2-CD2 3.71Å; L82-L106 HydrophobicContact CD1-CD2 3.6Å; L82-G117 PolarHBondContact N-O 2.88Å; L82-G117 VanDerWaalsContact N-O 3.09Å; L82-G117 WeakPolarHBondContact O-CA 3.35Å; L82-I141 HydrophobicContact CD2-CD1 4.29Å; L82-R144 PolarHBondContact O-NH1 2.76Å; L82-I146 HydrophobicContact CD2-CG2 3.78Å
83	S	91.4	Very high	91.4	Very high	17 Å²	17	53.3 Å²	53.3	12%	0.119	26%	0.258	C	S	.	.			trans	-66.4	157.5	173.5	-170.8	0	0	0	0	111.2	H85 T86 S115 D142	S83-H85 PolarHBondContact O-N 3.09Å; S83-H85 PolarHBondContact OG-N 3.49Å; S83-T86 WeakPolarHBondContact CA-OG1 3.31Å; S83-T86 VanDerWaalsContact CB-OG1 3.26Å; S83-T86 WeakPolarHBondContact CB-OG1 3.49Å; S83-T86 PolarHBondContact N-OG1 3.29Å; S83-T86 PolarHBondContact O-N 3.31Å; S83-T86 PolarHBondContact O-OG1 2.81Å; S83-S115 PolarHBondContact O-OG 3.15Å; S83-D142 VanDerWaalsContact CB-OD2 3.23Å; S83-D142 WeakPolarHBondContact CB-OD2 3.4Å
84	L	89.7	Confident	91.7	Very high	98 Å²	98	52.1 Å²	52.1	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11	172.8	-60.6	178	0	0	0	112.2	S115	L84-S115 WeakPolarHBondContact CA-OG 3.49Å; L84-S115 WeakPolarHBondContact CD2-O 3.49Å; L84-S115 PolarHBondContact O-OG 3.32Å
85	H	89.8	Confident	92	Very high	155 Å²	155	52 Å²	52	72%	0.718	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-10.9	-179.5	-56.1	-70.6	0	0	0	113.6	S83 Q87	S83-H85 PolarHBondContact O-N 3.09Å; S83-H85 PolarHBondContact OG-N 3.49Å; H85-Q87 PolarHBondContact O-N 3.31Å
86	T	89.9	Confident	92.1	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	25%	0.251	C	S	.	.			trans	-64.9	133.2	176.7	-41.9	0	0	0	0	109.6	L82 S83 N90 L91 L106 I141 D142	L82-T86 HydrophobicContact CD2-CG2 4.42Å; S83-T86 WeakPolarHBondContact CA-OG1 3.31Å; S83-T86 VanDerWaalsContact CB-OG1 3.26Å; S83-T86 WeakPolarHBondContact CB-OG1 3.49Å; S83-T86 PolarHBondContact N-OG1 3.29Å; S83-T86 PolarHBondContact O-N 3.31Å; S83-T86 PolarHBondContact O-OG1 2.81Å; T86-N90 HydrophobicContact CG2-CB 3.98Å; T86-L91 HydrophobicContact CG2-CD2 4.17Å; T86-L91 HydrophobicContact CG2-CG 4.42Å; T86-L106 VanDerWaalsContact O-CD1 3.25Å; T86-L106 WeakPolarHBondContact O-CD1 3.27Å; T86-I141 HydrophobicContact CG2-CG2 4.16Å; T86-D142 PolarHBondContact OG1-OD2 3.18Å
87	Q	91.8	Very high	92.3	Very high	92 Å²	92	56.9 Å²	56.9	43%	0.43	28%	0.279	S	S	.	.			trans	-111.2	165.1	179.5	-66.1	-176.4	-4.2	0	0	111.2	H85 R89 N90 L91	H85-Q87 PolarHBondContact O-N 3.31Å; Q87-R89 VanDerWaalsContact C-N 3.28Å; Q87-R89 HydrophobicContact CB-CG 4.16Å; Q87-R89 PolarHBondContact O-N 2.86Å; Q87-R89 VanDerWaalsContact OE1-NE 3.07Å; Q87-N90 WeakPolarHBondContact O-CB 3.4Å; Q87-N90 PolarHBondContact O-N 2.87Å; Q87-L91 PolarHBondContact O-N 3.42Å
88	E	92.4	Very high	92.3	Very high	79 Å²	79	58.7 Å²	58.7	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-39.5	-179.9	-71.7	161.6	166.1	0	0	111.7	N90 L91 Y92 V104 L106	E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 3Å; E88-L91 WeakPolarHBondContact O-CB 3.21Å; E88-L91 PolarHBondContact O-N 3.33Å; E88-L91 VanDerWaalsContact O-N 3.16Å; E88-Y92 PolarHBondContact O-N 2.86Å; E88-V104 HydrophobicContact CB-CB 4.47Å; E88-V104 HydrophobicContact CB-CG1 4.06Å; E88-V104 HydrophobicContact CG-CG1 4.17Å; E88-L106 HydrophobicContact CG-CB 3.75Å; E88-L106 HydrophobicContact CG-CD1 3.89Å; E88-L106 HydrophobicContact CG-CG 3.59Å; E88-L106 PolarHBondContact OE1-N 3.16Å
89	R	93.5	Very high	92.4	Very high	158 Å²	158	59.5 Å²	59.5	60%	0.596	29%	0.294	S	S	*	.	H	α-helix	trans	-55.7	-44.3	172.8	73.2	-172.1	-178.1	-170.8	-4.1	113	Q87 L91 Y92 D93	Q87-R89 VanDerWaalsContact C-N 3.28Å; Q87-R89 HydrophobicContact CB-CG 4.16Å; Q87-R89 PolarHBondContact O-N 2.86Å; Q87-R89 VanDerWaalsContact OE1-NE 3.07Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.31Å; R89-Y92 WeakPolarHBondContact O-CB 3.47Å; R89-Y92 PolarHBondContact O-N 2.85Å; R89-Y92 VanDerWaalsContact O-N 3.09Å; R89-D93 PolarHBondContact O-N 2.77Å
90	N	92.4	Very high	92.4	Very high	43 Å²	43	64.8 Å²	64.8	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-35.7	-178.9	-57.7	22.1	0	0	0	110.7	T86 Q87 E88 I94	T86-N90 HydrophobicContact CG2-CB 3.98Å; Q87-N90 WeakPolarHBondContact O-CB 3.4Å; Q87-N90 PolarHBondContact O-N 2.87Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 3Å; N90-I94 WeakPolarHBondContact O-CB 3.37Å; N90-I94 VanDerWaalsContact O-CD1 3.31Å; N90-I94 WeakPolarHBondContact O-CD1 3.27Å; N90-I94 WeakPolarHBondContact O-CG1 3.46Å; N90-I94 PolarHBondContact O-N 3.35Å
91	L	92.9	Very high	92.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.5	-43.6	173.5	-65.4	-174.5	0	0	0	111	L82 T86 Q87 E88 R89 D93 I94 F95 V104 L106 I141	L82-L91 HydrophobicContact CD1-CD1 3.84Å; L82-L91 HydrophobicContact CD1-CD2 4.01Å; L82-L91 HydrophobicContact CD1-CG 4.41Å; L82-L91 HydrophobicContact CD2-CD2 3.71Å; T86-L91 HydrophobicContact CG2-CD2 4.17Å; T86-L91 HydrophobicContact CG2-CG 4.42Å; Q87-L91 PolarHBondContact O-N 3.42Å; E88-L91 WeakPolarHBondContact O-CB 3.21Å; E88-L91 PolarHBondContact O-N 3.33Å; E88-L91 VanDerWaalsContact O-N 3.16Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.31Å; L91-D93 PolarHBondContact O-N 2.86Å; L91-I94 PolarHBondContact O-N 2.86Å; L91-F95 HydrophobicContact CB-CD2 4.37Å; L91-F95 HydrophobicContact CD2-CE2 4.23Å; L91-F95 WeakPolarHBondContact O-CB 3.37Å; L91-F95 VanDerWaalsContact O-CD2 3.27Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 3.05Å; L91-V104 HydrophobicContact CB-CG1 3.84Å; L91-V104 HydrophobicContact CD1-CG1 3.95Å; L91-L106 HydrophobicContact CD1-CD2 3.65Å; L91-L106 HydrophobicContact CD1-CG 4.18Å; L91-I141 HydrophobicContact CD2-CD1 4.43Å
92	Y	94.5	Very high	92.6	Very high	115 Å²	115	65.8 Å²	65.8	45%	0.451	32%	0.32	S	S	.	.	H	α-helix	trans	-55.4	-53.5	177.2	-172.1	-87.9	0	0	0	110.8	E88 R89 I94 F95 S96 I101 V104	E88-Y92 PolarHBondContact O-N 2.86Å; R89-Y92 WeakPolarHBondContact O-CB 3.47Å; R89-Y92 PolarHBondContact O-N 2.85Å; R89-Y92 VanDerWaalsContact O-N 3.09Å; Y92-I94 VanDerWaalsContact C-N 3.29Å; Y92-I94 PolarHBondContact O-N 2.85Å; Y92-F95 PolarHBondContact O-N 3.06Å; Y92-S96 WeakPolarHBondContact O-CB 3.47Å; Y92-S96 PolarHBondContact O-N 3.13Å; Y92-S96 PolarHBondContact O-OG 3.25Å; Y92-S96 VanDerWaalsContact O-OG 3.06Å; Y92-I101 HydrophobicContact CD2-CB 4.17Å; Y92-I101 HydrophobicContact CD2-CD1 3.88Å; Y92-I101 HydrophobicContact CD2-CG2 4.05Å; Y92-I101 HydrophobicContact CE2-CB 3.86Å; Y92-I101 HydrophobicContact CE2-CD1 4.22Å; Y92-I101 HydrophobicContact CE2-CG2 4.09Å; Y92-I101 HydrophobicContact CG-CD1 4.29Å; Y92-V104 HydrophobicContact CD2-CG2 4.02Å
93	D	93.3	Very high	92.6	Very high	107 Å²	107	69.4 Å²	69.4	57%	0.572	34%	0.339	S	S	*	.	H	α-helix	trans	-59.2	-37.1	-179.3	-58	-27.5	0	0	0	112.8	R89 L91 S96	R89-D93 PolarHBondContact O-N 2.77Å; L91-D93 PolarHBondContact O-N 2.86Å; D93-S96 PolarHBondContact O-OG 2.81Å
94	I	92.1	Very high	92.6	Very high	41 Å²	41	69.3 Å²	69.3	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-77.5	-37.3	179.1	-69.5	169.4	0	0	0	111.7	N90 L91 Y92 Q97 M139 I141	N90-I94 WeakPolarHBondContact O-CB 3.37Å; N90-I94 VanDerWaalsContact O-CD1 3.31Å; N90-I94 WeakPolarHBondContact O-CD1 3.27Å; N90-I94 WeakPolarHBondContact O-CG1 3.46Å; N90-I94 PolarHBondContact O-N 3.35Å; L91-I94 PolarHBondContact O-N 2.86Å; Y92-I94 VanDerWaalsContact C-N 3.29Å; Y92-I94 PolarHBondContact O-N 2.85Å; I94-Q97 WeakPolarHBondContact O-CG 3.47Å; I94-Q97 PolarHBondContact O-NE2 3.5Å; I94-M139 HydrophobicContact CG2-SD 3.93Å; I94-I141 HydrophobicContact CD1-CD1 3.63Å; I94-I141 HydrophobicContact CD1-CG1 4.02Å; I94-I141 HydrophobicContact CD1-CG2 4.43Å
95	F	93.6	Very high	92.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-89	-20.6	-176.1	-77.8	-74	0	0	0	113.4	L77 V79 L91 Y92 Q97 Y98 I101 V121 F123 A132 A136 I146	L77-F95 HydrophobicContact CD1-CE1 4.1Å; V79-F95 HydrophobicContact CG1-CE2 4.37Å; V79-F95 HydrophobicContact CG1-CZ 4.38Å; V79-F95 HydrophobicContact CG2-CE2 3.66Å; V79-F95 HydrophobicContact CG2-CZ 3.65Å; L91-F95 HydrophobicContact CB-CD2 4.37Å; L91-F95 HydrophobicContact CD2-CE2 4.23Å; L91-F95 WeakPolarHBondContact O-CB 3.37Å; L91-F95 VanDerWaalsContact O-CD2 3.27Å; L91-F95 WeakPolarHBondContact O-CD2 3.36Å; L91-F95 PolarHBondContact O-N 3.05Å; Y92-F95 PolarHBondContact O-N 3.06Å; F95-Q97 PolarHBondContact O-N 3.27Å; F95-Y98 AromaticContact CD1-CD2 3.94Å; F95-Y98 HydrophobicContact CD1-CD2 3.94Å; F95-Y98 HydrophobicContact CD1-CE2 4.05Å; F95-Y98 HydrophobicContact CE1-CE2 4.45Å; F95-Y98 PolarHBondContact O-N 3.16Å; F95-Y98 VanDerWaalsContact O-N 3.14Å; F95-I101 HydrophobicContact CB-CD1 3.75Å; F95-V121 HydrophobicContact CB-CG1 4.13Å; F95-V121 HydrophobicContact CD2-CG2 3.87Å; F95-V121 HydrophobicContact CE2-CG2 4.25Å; F95-V121 HydrophobicContact CG-CG1 4.36Å; F95-V121 HydrophobicContact CG-CG2 4.27Å; F95-F123 HydrophobicContact CB-CZ 4.03Å; F95-F123 HydrophobicContact CD1-CZ 4.02Å; F95-F123 HydrophobicContact CG-CZ 4.41Å; F95-A132 HydrophobicContact CD1-CB 3.99Å; F95-A132 HydrophobicContact CE1-CB 4.25Å; F95-A136 HydrophobicContact CE1-CB 3.59Å; F95-A136 HydrophobicContact CZ-CB 3.88Å; F95-I146 HydrophobicContact CZ-CD1 4.36Å
96	S	93.8	Very high	92.8	Very high	52 Å²	52	59.7 Å²	59.7	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.2	179.8	58.9	0	0	0	0	113.3	Y92 D93 Y98	Y92-S96 WeakPolarHBondContact O-CB 3.47Å; Y92-S96 PolarHBondContact O-N 3.13Å; Y92-S96 PolarHBondContact O-OG 3.25Å; Y92-S96 VanDerWaalsContact O-OG 3.06Å; D93-S96 PolarHBondContact O-OG 2.81Å; S96-Y98 PolarHBondContact O-N 3.27Å
97	Q	93.8	Very high	92.7	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.3	174.2	76.5	-171.8	-49.8	0	0	113.3	I94 F95	I94-Q97 WeakPolarHBondContact O-CG 3.47Å; I94-Q97 PolarHBondContact O-NE2 3.5Å; F95-Q97 PolarHBondContact O-N 3.27Å
98	Y	93.5	Very high	92.5	Very high	37 Å²	37	60.1 Å²	60.1	15%	0.145	29%	0.293	C	S	.	.	S	Bend	trans	-93.2	-16.4	-178.1	-55.5	-66.2	0	0	0	113.8	F95 S96 A132 D135 A136 M139	F95-Y98 AromaticContact CD1-CD2 3.94Å; F95-Y98 HydrophobicContact CD1-CD2 3.94Å; F95-Y98 HydrophobicContact CD1-CE2 4.05Å; F95-Y98 HydrophobicContact CE1-CE2 4.45Å; F95-Y98 PolarHBondContact O-N 3.16Å; F95-Y98 VanDerWaalsContact O-N 3.14Å; S96-Y98 PolarHBondContact O-N 3.27Å; Y98-A132 HydrophobicContact CD2-CB 3.61Å; Y98-A132 HydrophobicContact CE2-CB 4.32Å; Y98-A132 HydrophobicContact CG-CB 3.77Å; Y98-D135 HydrophobicContact CE1-CB 3.68Å; Y98-D135 VanDerWaalsContact CE1-OD2 3.25Å; Y98-D135 WeakPolarHBondContact CE1-OD2 3.41Å; Y98-D135 PolarHBondContact OH-OD2 3.02Å; Y98-A136 HydrophobicContact CE2-CB 4.23Å; Y98-M139 WeakPolarHBondContact OH-CE 3.17Å
99	G	93	Very high	92.1	Very high	18 Å²	18	57.5 Å²	57.5	19%	0.186	28%	0.281	C	S	.	.	S	Bend	trans	153.6	-171.6	-178	0	0	0	0	0	113.4	D128	G99-D128 WeakPolarHBondContact CA-OD2 3.35Å
100	N	94.5	Very high	91.4	Very high	111 Å²	111	55.6 Å²	55.6	59%	0.594	28%	0.283	S	S	*	.			trans	-81.3	126.7	-170.2	-70.7	-24	0	0	0	111.6	F123 T124 D128	N100-F123 WeakPolarHBondContact O-CA 3.47Å; N100-T124 HydrophobicContact CB-CG2 3.85Å; N100-T124 WeakPolarHBondContact CB-OG1 3.26Å; N100-T124 PolarHBondContact O-N 3.15Å; N100-D128 PolarHBondContact N-OD2 3.47Å
101	I	93.8	Very high	90.9	Very high	21 Å²	21	63.3 Å²	63.3	11%	0.108	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.3	178.4	-59.6	174.9	0	0	0	109.6	Y92 F95 D103 V104 V121 Y122 F123	Y92-I101 HydrophobicContact CD2-CB 4.17Å; Y92-I101 HydrophobicContact CD2-CD1 3.88Å; Y92-I101 HydrophobicContact CD2-CG2 4.05Å; Y92-I101 HydrophobicContact CE2-CB 3.86Å; Y92-I101 HydrophobicContact CE2-CD1 4.22Å; Y92-I101 HydrophobicContact CE2-CG2 4.09Å; Y92-I101 HydrophobicContact CG-CD1 4.29Å; F95-I101 HydrophobicContact CB-CD1 3.75Å; I101-D103 WeakPolarHBondContact CG2-O 3.46Å; I101-V104 HydrophobicContact CG2-CG2 3.64Å; I101-V121 HydrophobicContact CD1-CG1 4.2Å; I101-V121 HydrophobicContact CG1-CG1 4.23Å; I101-V121 HydrophobicContact CG2-CG1 4.18Å; I101-Y122 CarbonylContact C-O 3.54Å; I101-Y122 WeakPolarHBondContact CA-O 3.44Å; I101-F123 HydrophobicContact CG1-CD1 4.35Å; I101-F123 HydrophobicContact CG1-CE1 4.11Å
102	E	92.7	Very high	90.5	Very high	106 Å²	106	66.8 Å²	66.8	50%	0.495	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-46.9	169.9	-67.3	-179.8	172.8	0	0	111.8	R75 Y122 T124	R75-E102 IonicContact CZ-OE1 3.74Å; R75-E102 IonicContact CZ-OE2 2.78Å; R75-E102 IonicContact NH1-OE1 3.91Å; R75-E102 PolarHBondContact NH1-OE1 2.59Å; R75-E102 IonicContact NH1-OE2 3.71Å; R75-E102 PolarHBondContact NH1-OE2 3.45Å; R75-E102 IonicContact NH2-OE2 2.71Å; E102-Y122 PolarHBondContact N-O 3.48Å; E102-T124 HydrophobicContact CG-CG2 3.66Å
103	D	91.7	Very high	90	Very high	78 Å²	78	64 Å²	64	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	155	-174.8	-167.7	15.2	0	0	0	111.5	I101 Y122	I101-D103 WeakPolarHBondContact CG2-O 3.46Å; D103-Y122 HydrophobicContact CB-CD2 4.1Å; D103-Y122 HydrophobicContact CB-CG 4.48Å; D103-Y122 PolarHBondContact N-O 3.37Å; D103-Y122 PolarHBondContact O-N 2.95Å
104	V	92.8	Very high	89.6	Confident	15 Å²	15	67 Å²	67	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	117	174.6	-178.1	0	0	0	0	109	E88 L91 Y92 I101 V121	E88-V104 HydrophobicContact CB-CB 4.47Å; E88-V104 HydrophobicContact CB-CG1 4.06Å; E88-V104 HydrophobicContact CG-CG1 4.17Å; L91-V104 HydrophobicContact CB-CG1 3.84Å; L91-V104 HydrophobicContact CD1-CG1 3.95Å; Y92-V104 HydrophobicContact CD2-CG2 4.02Å; I101-V104 HydrophobicContact CG2-CG2 3.64Å; V104-V121 HydrophobicContact CG1-CG2 4.44Å; V104-V121 HydrophobicContact CG2-CG1 4.48Å
105	Q	90.8	Very high	89.5	Confident	42 Å²	42	65.4 Å²	65.4	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	107.8	-175.9	-164.2	-174.1	20.7	0	0	111.3	G119 F120 Y122 H157	Q105-G119 CarbonylContact O-C 3.54Å; Q105-G119 WeakPolarHBondContact O-CA 3.19Å; Q105-F120 PolarHBondContact N-O 3.1Å; Q105-F120 PolarHBondContact O-N 2.96Å; Q105-Y122 HydrophobicContact CB-CE2 4.32Å; Q105-H157 PolarHBondContact NE2-O 2.89Å; Q105-H157 PolarHBondContact OE1-O 2.85Å; Q105-H157 VanDerWaalsContact OE1-O 3.13Å
106	L	91.2	Very high	89.2	Confident	8 Å²	8	67.3 Å²	67.3	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.9	168.8	-83.1	-176.3	0	0	0	111.3	L82 T86 E88 L91 F108	L82-L106 HydrophobicContact CD1-CD2 3.6Å; T86-L106 VanDerWaalsContact O-CD1 3.25Å; T86-L106 WeakPolarHBondContact O-CD1 3.27Å; E88-L106 HydrophobicContact CG-CB 3.75Å; E88-L106 HydrophobicContact CG-CD1 3.89Å; E88-L106 HydrophobicContact CG-CG 3.59Å; E88-L106 PolarHBondContact OE1-N 3.16Å; L91-L106 HydrophobicContact CD1-CD2 3.65Å; L91-L106 HydrophobicContact CD1-CG 4.18Å; L106-F108 HydrophobicContact CB-CD2 4.23Å; L106-F108 HydrophobicContact CB-CE2 3.43Å; L106-F108 VanDerWaalsContact CB-CE2 3.43Å; L106-F108 HydrophobicContact CB-CZ 3.65Å; L106-F108 HydrophobicContact CD1-CZ 4.01Å; L106-F108 VanDerWaalsContact O-CD2 3.3Å; L106-F108 WeakPolarHBondContact O-CD2 3.38Å; L106-F108 WeakPolarHBondContact O-CE2 3.47Å
107	V	88.8	Confident	89	Confident	17 Å²	17	65.3 Å²	65.3	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.3	-179.7	-178.2	0	0	0	0	109.8	R116 F118 F120	V107-R116 VanDerWaalsContact O-CB 3.28Å; V107-R116 WeakPolarHBondContact O-CB 3.16Å; V107-R116 PolarHBondContact O-N 2.93Å; V107-F118 HydrophobicContact CB-CD2 4.12Å; V107-F118 HydrophobicContact CB-CE1 4.4Å; V107-F118 HydrophobicContact CB-CE2 3.76Å; V107-F118 HydrophobicContact CB-CZ 3.92Å; V107-F118 HydrophobicContact CG1-CE1 4.21Å; V107-F118 HydrophobicContact CG1-CE2 3.89Å; V107-F118 HydrophobicContact CG1-CZ 3.62Å; V107-F118 HydrophobicContact CG2-CD2 4.02Å; V107-F118 HydrophobicContact CG2-CE2 3.65Å; V107-F118 HydrophobicContact CG2-CZ 4.25Å; V107-F118 PolarHBondContact N-O 3.27Å; V107-F118 VanDerWaalsContact N-O 3.12Å; V107-F120 HydrophobicContact CG2-CD2 4.04Å; V107-F120 HydrophobicContact CG2-CE2 3.85Å
108	F	87.6	Confident	88.9	Confident	87 Å²	87	60.7 Å²	60.7	38%	0.382	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	158.4	179.3	-61.2	-89.4	0	0	0	112.6	L106 R114 R116	L106-F108 HydrophobicContact CB-CD2 4.23Å; L106-F108 HydrophobicContact CB-CE2 3.43Å; L106-F108 VanDerWaalsContact CB-CE2 3.43Å; L106-F108 HydrophobicContact CB-CZ 3.65Å; L106-F108 HydrophobicContact CD1-CZ 4.01Å; L106-F108 VanDerWaalsContact O-CD2 3.3Å; L106-F108 WeakPolarHBondContact O-CD2 3.38Å; L106-F108 WeakPolarHBondContact O-CE2 3.47Å; F108-R114 WeakPolarHBondContact CA-O 3.25Å; F108-R116 WeakPolarHBondContact O-CD 3.49Å; F108-R116 PolarHBondContact O-NH1 3.09Å
109	D	84.5	Confident	88.8	Confident	25 Å²	25	59 Å²	59	13%	0.134	30%	0.3	C	S	.	.			trans	-88.7	112.8	167.8	169.7	40.6	0	0	0	110	Y111 T112 G113 R114 R116	D109-Y111 PolarHBondContact O-N 2.89Å; D109-Y111 PolarHBondContact OD1-N 3Å; D109-T112 PolarHBondContact O-N 2.77Å; D109-T112 WeakPolarHBondContact OD2-CB 3.44Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.38Å; D109-T112 PolarHBondContact OD2-N 3.5Å; D109-T112 PolarHBondContact OD2-OG1 2.9Å; D109-G113 WeakPolarHBondContact O-CA 3.25Å; D109-G113 PolarHBondContact O-N 3.28Å; D109-R114 PolarHBondContact N-O 3.4Å; D109-R116 HydrophobicContact CB-CG 4.05Å
110	N	79	Confident	88.8	Confident	118 Å²	118	58.9 Å²	58.9	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.7	-175.3	-58.7	19.3	0	0	0	114
111	Y	80.4	Confident	88.8	Confident	204 Å²	204	53.6 Å²	53.6	80%	0.8	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-43.3	179	-173.2	-103.7	0	0	0	113.2	D109	D109-Y111 PolarHBondContact O-N 2.89Å; D109-Y111 PolarHBondContact OD1-N 3Å
112	T	84.8	Confident	88.7	Confident	73 Å²	73	52.8 Å²	52.8	45%	0.448	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-10.9	-177.7	62.5	0	0	0	0	114.8	D109 R114	D109-T112 PolarHBondContact O-N 2.77Å; D109-T112 WeakPolarHBondContact OD2-CB 3.44Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.38Å; D109-T112 PolarHBondContact OD2-N 3.5Å; D109-T112 PolarHBondContact OD2-OG1 2.9Å; T112-R114 PolarHBondContact O-N 3.36Å
113	G	83.8	Confident	88.8	Confident	57 Å²	57	47.8 Å²	47.8	59%	0.588	24%	0.238	S	C	*	.			trans	68.1	5.9	-173.5	0	0	0	0	0	114.3	D109	D109-G113 WeakPolarHBondContact O-CA 3.25Å; D109-G113 PolarHBondContact O-N 3.28Å
114	R	85.6	Confident	88.9	Confident	169 Å²	169	46.1 Å²	46.1	64%	0.638	23%	0.231	S	C	*	.			trans	-88.2	146.2	-177.2	-62.3	178.3	-178.6	-164.6	-3	110.5	F108 D109 T112	F108-R114 WeakPolarHBondContact CA-O 3.25Å; D109-R114 PolarHBondContact N-O 3.4Å; T112-R114 PolarHBondContact O-N 3.36Å
115	S	89.2	Confident	88.9	Confident	8 Å²	8	50.4 Å²	50.4	6%	0.056	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	147.8	172.3	70.9	0	0	0	0	110	S83 L84 G117	S83-S115 PolarHBondContact O-OG 3.15Å; L84-S115 WeakPolarHBondContact CA-OG 3.49Å; L84-S115 WeakPolarHBondContact CD2-O 3.49Å; L84-S115 PolarHBondContact O-OG 3.32Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 2.69Å
116	R	87.4	Confident	88.9	Confident	41 Å²	41	50.9 Å²	50.9	16%	0.155	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	9.6	-179.5	-72.5	155.6	51.5	-176.1	-2	113	V107 F108 D109 F118 Y164	V107-R116 VanDerWaalsContact O-CB 3.28Å; V107-R116 WeakPolarHBondContact O-CB 3.16Å; V107-R116 PolarHBondContact O-N 2.93Å; F108-R116 WeakPolarHBondContact O-CD 3.49Å; F108-R116 PolarHBondContact O-NH1 3.09Å; D109-R116 HydrophobicContact CB-CG 4.05Å; R116-F118 VanDerWaalsContact C-N 3.33Å; R116-F118 HydrophobicContact CB-CD1 3.94Å; R116-F118 HydrophobicContact CB-CE1 3.75Å; R116-Y164 HydrophobicContact CB-CD1 4.48Å; R116-Y164 HydrophobicContact CB-CE1 4.41Å; R116-Y164 HydrophobicContact CG-CD1 3.9Å; R116-Y164 HydrophobicContact CG-CE1 4.32Å; R116-Y164 VanDerWaalsContact NH2-CE2 3.29Å; R116-Y164 VanDerWaalsContact NH2-CG 3.25Å
117	G	90	Very high	89	Confident	10 Å²	10	53.7 Å²	53.7	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.1	24.5	-177.7	0	0	0	0	0	114.2	G81 L82 S115	G81-G117 PolarHBondContact N-O 2.92Å; L82-G117 PolarHBondContact N-O 2.88Å; L82-G117 VanDerWaalsContact N-O 3.09Å; L82-G117 WeakPolarHBondContact O-CA 3.35Å; S115-G117 VanDerWaalsContact C-N 3.26Å; S115-G117 PolarHBondContact O-N 2.69Å
118	F	91.4	Very high	89.3	Confident	30 Å²	30	54.2 Å²	54.2	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.9	170.5	73.5	-87.2	0	0	0	112	V79 F80 V107 R116 F120 Y164	V79-F118 CarbonylContact O-C 3.54Å; V79-F118 WeakPolarHBondContact O-CA 3.3Å; V79-F118 VanDerWaalsContact O-CB 3.27Å; V79-F118 WeakPolarHBondContact O-CB 3.31Å; F80-F118 HydrophobicContact CD1-CB 3.65Å; F80-F118 HydrophobicContact CD1-CD2 4.35Å; F80-F118 HydrophobicContact CD1-CG 4.13Å; F80-F118 HydrophobicContact CE1-CB 4.28Å; F80-F118 HydrophobicContact CE1-CD2 4.16Å; F80-F118 HydrophobicContact CE1-CG 4.39Å; F80-F118 HydrophobicContact CG-CB 4.4Å; V107-F118 HydrophobicContact CB-CD2 4.12Å; V107-F118 HydrophobicContact CB-CE1 4.4Å; V107-F118 HydrophobicContact CB-CE2 3.76Å; V107-F118 HydrophobicContact CB-CZ 3.92Å; V107-F118 HydrophobicContact CG1-CE1 4.21Å; V107-F118 HydrophobicContact CG1-CE2 3.89Å; V107-F118 HydrophobicContact CG1-CZ 3.62Å; V107-F118 HydrophobicContact CG2-CD2 4.02Å; V107-F118 HydrophobicContact CG2-CE2 3.65Å; V107-F118 HydrophobicContact CG2-CZ 4.25Å; V107-F118 PolarHBondContact N-O 3.27Å; V107-F118 VanDerWaalsContact N-O 3.12Å; R116-F118 VanDerWaalsContact C-N 3.33Å; R116-F118 HydrophobicContact CB-CD1 3.94Å; R116-F118 HydrophobicContact CB-CE1 3.75Å; F118-F120 HydrophobicContact CD2-CE2 4.26Å; F118-F120 HydrophobicContact CD2-CZ 4.46Å; F118-F120 HydrophobicContact CE2-CE2 4.05Å; F118-F120 HydrophobicContact CE2-CZ 4.32Å; F118-Y164 HydrophobicContact CE1-CE1 4.4Å
119	G	92.1	Very high	89.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-175.7	178	0	0	0	0	0	112.1	V79 Q105	V79-G119 PolarHBondContact N-O 3.38Å; V79-G119 PolarHBondContact O-N 3.43Å; Q105-G119 CarbonylContact O-C 3.54Å; Q105-G119 WeakPolarHBondContact O-CA 3.19Å
120	F	93	Very high	89.9	Confident	16 Å²	16	54 Å²	54	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.6	-179.3	-61.2	-82.5	0	0	0	110.2	L77 Q105 V107 F118 Y122 H157	L77-F120 WeakPolarHBondContact O-CA 3.47Å; Q105-F120 PolarHBondContact N-O 3.1Å; Q105-F120 PolarHBondContact O-N 2.96Å; V107-F120 HydrophobicContact CG2-CD2 4.04Å; V107-F120 HydrophobicContact CG2-CE2 3.85Å; F118-F120 HydrophobicContact CD2-CE2 4.26Å; F118-F120 HydrophobicContact CD2-CZ 4.46Å; F118-F120 HydrophobicContact CE2-CE2 4.05Å; F118-F120 HydrophobicContact CE2-CZ 4.32Å; F120-Y122 HydrophobicContact CB-CE2 3.71Å; F120-H157 AromaticContact CD1-CD2 3.73Å; F120-H157 AromaticContact CD1-NE2 3.94Å; F120-H157 HydrophobicContact CD2-CB 4.38Å; F120-H157 AromaticContact CD2-CD2 3.44Å; F120-H157 VanDerWaalsContact CD2-CD2 3.44Å; F120-H157 WeakPolarHBondContact CD2-CD2 3.12Å; F120-H157 AromaticContact CE1-CD2 3.57Å; F120-H157 AromaticContact CE1-NE2 3.42Å; F120-H157 WeakPolarHBondContact CE1-NE2 3.34Å; F120-H157 HydrophobicContact CE2-CB 4.3Å; F120-H157 AromaticContact CE2-CD2 3.26Å; F120-H157 WeakPolarHBondContact CE2-CD2 3.26Å; F120-H157 AromaticContact CE2-CG 3.9Å; F120-H157 AromaticContact CE2-NE2 3.82Å; F120-H157 AromaticContact CG-CD2 3.67Å; F120-H157 AromaticContact CZ-CD2 3.33Å; F120-H157 WeakPolarHBondContact CZ-CD2 3.32Å; F120-H157 AromaticContact CZ-NE2 3.35Å; F120-H157 WeakPolarHBondContact CZ-NE2 3.34Å
121	V	93.5	Very high	90.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126	175.6	-178.8	0	0	0	0	107.6	C76 L77 V79 F95 I101 V104 F123	C76-V121 WeakPolarHBondContact CA-O 3.44Å; L77-V121 PolarHBondContact N-O 3.05Å; L77-V121 PolarHBondContact O-N 3.4Å; V79-V121 HydrophobicContact CG2-CG2 4.05Å; F95-V121 HydrophobicContact CB-CG1 4.13Å; F95-V121 HydrophobicContact CD2-CG2 3.87Å; F95-V121 HydrophobicContact CE2-CG2 4.25Å; F95-V121 HydrophobicContact CG-CG1 4.36Å; F95-V121 HydrophobicContact CG-CG2 4.27Å; I101-V121 HydrophobicContact CD1-CG1 4.2Å; I101-V121 HydrophobicContact CG1-CG1 4.23Å; I101-V121 HydrophobicContact CG2-CG1 4.18Å; V104-V121 HydrophobicContact CG1-CG2 4.44Å; V104-V121 HydrophobicContact CG2-CG1 4.48Å; V121-F123 HydrophobicContact CB-CE2 4.3Å; V121-F123 HydrophobicContact CG1-CD2 4.14Å; V121-F123 HydrophobicContact CG1-CE2 3.66Å; V121-F123 HydrophobicContact CG1-CZ 3.99Å
122	Y	93.1	Very high	91.2	Very high	5 Å²	5	41 Å²	41	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.9	-179	-64.2	-91.8	0	0	0	108.7	C76 I101 E102 D103 Q105 F120 R155 P156 H157	C76-Y122 HydrophobicContact CB-CD1 3.85Å; C76-Y122 HydrophobicContact CB-CE1 3.73Å; C76-Y122 WeakPolarHBondContact SG-CE1 3.4Å; I101-Y122 CarbonylContact C-O 3.54Å; I101-Y122 WeakPolarHBondContact CA-O 3.44Å; E102-Y122 PolarHBondContact N-O 3.48Å; D103-Y122 HydrophobicContact CB-CD2 4.1Å; D103-Y122 HydrophobicContact CB-CG 4.48Å; D103-Y122 PolarHBondContact N-O 3.37Å; D103-Y122 PolarHBondContact O-N 2.95Å; Q105-Y122 HydrophobicContact CB-CE2 4.32Å; F120-Y122 HydrophobicContact CB-CE2 3.71Å; Y122-R155 WeakPolarHBondContact CE1-O 3.28Å; Y122-R155 PolarHBondContact OH-O 2.82Å; Y122-P156 VanDerWaalsContact OH-CA 3.26Å; Y122-P156 WeakPolarHBondContact OH-CA 3.21Å; Y122-H157 PolarHBondContact OH-N 2.76Å
123	F	94	Very high	91.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	153.7	175.8	-71.5	-89.4	0	0	0	111.7	R75 L77 F95 N100 I101 V121 H125 D128 A129 A132	R75-F123 WeakPolarHBondContact CB-O 3.49Å; R75-F123 PolarHBondContact NH1-O 3.18Å; R75-F123 PolarHBondContact O-N 3.33Å; L77-F123 HydrophobicContact CB-CE2 4.27Å; L77-F123 HydrophobicContact CD1-CE2 4.09Å; F95-F123 HydrophobicContact CB-CZ 4.03Å; F95-F123 HydrophobicContact CD1-CZ 4.02Å; F95-F123 HydrophobicContact CG-CZ 4.41Å; N100-F123 WeakPolarHBondContact O-CA 3.47Å; I101-F123 HydrophobicContact CG1-CD1 4.35Å; I101-F123 HydrophobicContact CG1-CE1 4.11Å; V121-F123 HydrophobicContact CB-CE2 4.3Å; V121-F123 HydrophobicContact CG1-CD2 4.14Å; V121-F123 HydrophobicContact CG1-CE2 3.66Å; V121-F123 HydrophobicContact CG1-CZ 3.99Å; F123-H125 VanDerWaalsContact C-N 3.3Å; F123-H125 WeakPolarHBondContact CB-O 3.39Å; F123-D128 HydrophobicContact CB-CB 4.44Å; F123-D128 HydrophobicContact CD1-CB 3.73Å; F123-D128 HydrophobicContact CE1-CB 4.3Å; F123-D128 HydrophobicContact CG-CB 4.28Å; F123-A129 HydrophobicContact CB-CB 4.2Å; F123-A129 HydrophobicContact CD2-CB 3.68Å; F123-A129 HydrophobicContact CE2-CB 4.35Å; F123-A129 HydrophobicContact CG-CB 4.11Å; F123-A132 HydrophobicContact CE1-CB 4.38Å; F123-A132 HydrophobicContact CE2-CB 3.95Å; F123-A132 HydrophobicContact CZ-CB 3.56Å
124	T	93	Very high	91.9	Very high	44 Å²	44	40.7 Å²	40.7	27%	0.27	22%	0.223	S	C	.	.	S	Bend	trans	-67.1	-35	170.7	60.8	0	0	0	0	111.4	R75 N100 E102	R75-T124 WeakPolarHBondContact CD-O 3.43Å; N100-T124 HydrophobicContact CB-CG2 3.85Å; N100-T124 WeakPolarHBondContact CB-OG1 3.26Å; N100-T124 PolarHBondContact O-N 3.15Å; E102-T124 HydrophobicContact CG-CG2 3.66Å
125	H	92.9	Very high	92.2	Very high	104 Å²	104	37.4 Å²	37.4	48%	0.481	22%	0.218	S	C	.	.			trans	-122.1	143.7	-176.2	-56.4	-54.1	0	0	0	113	F123 A127 D128 A129	F123-H125 VanDerWaalsContact C-N 3.3Å; F123-H125 WeakPolarHBondContact CB-O 3.39Å; H125-A127 PolarHBondContact O-N 3.09Å; H125-D128 IonicContact CD2-OD2 3.15Å; H125-A129 PolarHBondContact O-N 2.84Å
126	V	92.3	Very high	92.2	Very high	53 Å²	53	37 Å²	37	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-69.6	-22.8	175.3	-175.2	0	0	0	0	111.5	P73 R75 K130	P73-V126 HydrophobicContact CB-CG1 3.96Å; R75-V126 HydrophobicContact CG-CG2 3.46Å; R75-V126 VanDerWaalsContact CG-CG2 3.46Å; V126-K130 VanDerWaalsContact O-CG 3.27Å; V126-K130 WeakPolarHBondContact O-CG 3.37Å; V126-K130 PolarHBondContact O-N 2.83Å; V126-K130 VanDerWaalsContact O-N 3.11Å
127	A	93.3	Very high	92.3	Very high	66 Å²	66	39.4 Å²	39.4	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-51.4	176.2	0	0	0	0	0	111	H125 A129 K130 A131	H125-A127 PolarHBondContact O-N 3.09Å; A127-A129 VanDerWaalsContact C-N 3.34Å; A127-A129 PolarHBondContact O-N 3.12Å; A127-K130 WeakPolarHBondContact O-CA 3.35Å; A127-K130 WeakPolarHBondContact O-CB 3.42Å; A127-K130 PolarHBondContact O-N 2.85Å; A127-A131 PolarHBondContact O-N 3.24Å
128	D	94	Very high	92.2	Very high	29 Å²	29	41 Å²	41	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-47.6	177.6	-49.5	10.2	0	0	0	110.4	G99 N100 F123 H125 K130 A131 A132	G99-D128 WeakPolarHBondContact CA-OD2 3.35Å; N100-D128 PolarHBondContact N-OD2 3.47Å; F123-D128 HydrophobicContact CB-CB 4.44Å; F123-D128 HydrophobicContact CD1-CB 3.73Å; F123-D128 HydrophobicContact CE1-CB 4.3Å; F123-D128 HydrophobicContact CG-CB 4.28Å; H125-D128 IonicContact CD2-OD2 3.15Å; D128-K130 VanDerWaalsContact C-N 3.29Å; D128-K130 PolarHBondContact O-N 3.19Å; D128-A131 PolarHBondContact O-N 3.2Å; D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 2.85Å
129	A	92.4	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-33.4	175.4	0	0	0	0	0	113.5	S74 F123 H125 A127 K133 F150	S74-A129 WeakPolarHBondContact O-CB 3.29Å; F123-A129 HydrophobicContact CB-CB 4.2Å; F123-A129 HydrophobicContact CD2-CB 3.68Å; F123-A129 HydrophobicContact CE2-CB 4.35Å; F123-A129 HydrophobicContact CG-CB 4.11Å; H125-A129 PolarHBondContact O-N 2.84Å; A127-A129 VanDerWaalsContact C-N 3.34Å; A127-A129 PolarHBondContact O-N 3.12Å; A129-K133 WeakPolarHBondContact O-CB 3.5Å; A129-K133 PolarHBondContact O-N 2.84Å; A129-F150 HydrophobicContact CB-CE1 4.38Å
130	K	92.9	Very high	92.1	Very high	107 Å²	107	49.1 Å²	49.1	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-43.8	174.2	-76.1	167.6	177	-179.8	0	111.7	P73 V126 A127 D128 K133 A134 F150	P73-K130 HydrophobicContact CB-CD 4.35Å; P73-K130 HydrophobicContact CB-CG 4.12Å; V126-K130 VanDerWaalsContact O-CG 3.27Å; V126-K130 WeakPolarHBondContact O-CG 3.37Å; V126-K130 PolarHBondContact O-N 2.83Å; V126-K130 VanDerWaalsContact O-N 3.11Å; A127-K130 WeakPolarHBondContact O-CA 3.35Å; A127-K130 WeakPolarHBondContact O-CB 3.42Å; A127-K130 PolarHBondContact O-N 2.85Å; D128-K130 VanDerWaalsContact C-N 3.29Å; D128-K130 PolarHBondContact O-N 3.19Å; K130-K133 PolarHBondContact O-N 2.83Å; K130-A134 PolarHBondContact O-N 2.83Å; K130-F150 HydrophobicContact CB-CZ 4.32Å; K130-F150 HydrophobicContact CG-CE1 4.15Å; K130-F150 HydrophobicContact CG-CZ 3.71Å
131	A	92.9	Very high	91.9	Very high	49 Å²	49	48.8 Å²	48.8	41%	0.405	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-50.1	176.9	0	0	0	0	0	110.7	A127 D128 K133 A134 D135	A127-A131 PolarHBondContact O-N 3.24Å; D128-A131 PolarHBondContact O-N 3.2Å; A131-K133 VanDerWaalsContact C-N 3.33Å; A131-K133 PolarHBondContact O-N 2.85Å; A131-A134 PolarHBondContact O-N 2.91Å; A131-D135 PolarHBondContact O-N 3.43Å; A131-D135 VanDerWaalsContact O-N 3.1Å
132	A	93.6	Very high	91.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.5	-43.2	174.5	0	0	0	0	0	112.8	L77 F95 Y98 F123 D128 A136	L77-A132 HydrophobicContact CD1-CB 3.76Å; F95-A132 HydrophobicContact CD1-CB 3.99Å; F95-A132 HydrophobicContact CE1-CB 4.25Å; Y98-A132 HydrophobicContact CD2-CB 3.61Å; Y98-A132 HydrophobicContact CE2-CB 4.32Å; Y98-A132 HydrophobicContact CG-CB 3.77Å; F123-A132 HydrophobicContact CE1-CB 4.38Å; F123-A132 HydrophobicContact CE2-CB 3.95Å; F123-A132 HydrophobicContact CZ-CB 3.56Å; D128-A132 VanDerWaalsContact O-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 2.85Å; A132-A136 WeakPolarHBondContact O-CB 3.39Å; A132-A136 PolarHBondContact O-N 3.44Å
133	K	92.8	Very high	91.3	Very high	38 Å²	38	56 Å²	56	17%	0.165	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-40.4	175.7	-167.5	-142.9	167	-178.5	0	111.6	L77 A129 K130 A131 H137 C148 F150	L77-K133 HydrophobicContact CD1-CB 4.21Å; A129-K133 WeakPolarHBondContact O-CB 3.5Å; A129-K133 PolarHBondContact O-N 2.84Å; K130-K133 PolarHBondContact O-N 2.83Å; A131-K133 VanDerWaalsContact C-N 3.33Å; A131-K133 PolarHBondContact O-N 2.85Å; K133-H137 WeakPolarHBondContact O-CB 3.26Å; K133-H137 PolarHBondContact O-N 3.28Å; K133-C148 WeakPolarHBondContact CE-O 3.13Å; K133-C148 HydrophobicContact CG-CB 4.34Å; K133-C148 WeakPolarHBondContact CG-O 3.23Å; K133-F150 HydrophobicContact CB-CE1 4.2Å; K133-F150 HydrophobicContact CB-CZ 4.16Å; K133-F150 HydrophobicContact CD-CD2 4.13Å; K133-F150 HydrophobicContact CD-CE1 4.43Å; K133-F150 HydrophobicContact CD-CE2 3.67Å; K133-F150 HydrophobicContact CD-CZ 3.82Å; K133-F150 HydrophobicContact CG-CZ 4.46Å
134	A	90.9	Very high	91.1	Very high	85 Å²	85	61.3 Å²	61.3	70%	0.702	36%	0.358	S	S	*	.	H	α-helix	trans	-67.8	-40.1	-176.3	0	0	0	0	0	112.6	K130 A131	K130-A134 PolarHBondContact O-N 2.83Å; A131-A134 PolarHBondContact O-N 2.91Å
135	D	90.8	Very high	91	Very high	101 Å²	101	63.3 Å²	63.3	54%	0.54	37%	0.371	S	S	.	.	H	α-helix	trans	-91.9	-42.2	-174.6	-168.8	64.7	0	0	0	113.3	Y98 A131 H137	Y98-D135 HydrophobicContact CE1-CB 3.68Å; Y98-D135 VanDerWaalsContact CE1-OD2 3.25Å; Y98-D135 WeakPolarHBondContact CE1-OD2 3.41Å; Y98-D135 PolarHBondContact OH-OD2 3.02Å; A131-D135 PolarHBondContact O-N 3.43Å; A131-D135 VanDerWaalsContact O-N 3.1Å; D135-H137 VanDerWaalsContact C-N 3.31Å; D135-H137 PolarHBondContact O-N 3.48Å
136	A	90.3	Very high	91	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-78.1	-10.3	-179	0	0	0	0	0	114	F95 Y98 A132 G138 M139 I146	F95-A136 HydrophobicContact CE1-CB 3.59Å; F95-A136 HydrophobicContact CZ-CB 3.88Å; Y98-A136 HydrophobicContact CE2-CB 4.23Å; A132-A136 WeakPolarHBondContact O-CB 3.39Å; A132-A136 PolarHBondContact O-N 3.44Å; A136-G138 PolarHBondContact O-N 2.78Å; A136-M139 WeakPolarHBondContact O-CB 3.35Å; A136-M139 PolarHBondContact O-N 2.71Å; A136-I146 HydrophobicContact CB-CD1 4.48Å; A136-I146 WeakPolarHBondContact O-CD1 3.49Å
137	H	89.5	Confident	91	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.417	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	110	177.6	-173.5	109	0	0	0	110.9	K133 D135 C148	K133-H137 WeakPolarHBondContact O-CB 3.26Å; K133-H137 PolarHBondContact O-N 3.28Å; D135-H137 VanDerWaalsContact C-N 3.31Å; D135-H137 PolarHBondContact O-N 3.48Å; H137-C148 HydrophobicContact CB-CB 4.07Å; H137-C148 PolarHBondContact ND1-N 2.73Å; H137-C148 PolarHBondContact ND1-O 2.77Å
138	G	87.9	Confident	90.9	Very high	45 Å²	45	57 Å²	57	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-2.9	-175.3	0	0	0	0	0	114.2	A136 I146	A136-G138 PolarHBondContact O-N 2.78Å; G138-I146 WeakPolarHBondContact CA-O 3.34Å; G138-I146 PolarHBondContact N-O 2.63Å
139	M	90.3	Very high	90.8	Very high	57 Å²	57	56.2 Å²	56.2	28%	0.281	32%	0.32	S	S	.	.			trans	-58.2	148	172.1	-176.6	178.3	-74.7	0	0	110.8	I94 Y98 A136 P145 I146	I94-M139 HydrophobicContact CG2-SD 3.93Å; Y98-M139 WeakPolarHBondContact OH-CE 3.17Å; A136-M139 WeakPolarHBondContact O-CB 3.35Å; A136-M139 PolarHBondContact O-N 2.71Å; M139-P145 CarbonylContact O-C 3.5Å; M139-P145 WeakPolarHBondContact O-CA 3.5Å; M139-I146 HydrophobicContact CB-CD1 4.4Å; M139-I146 HydrophobicContact CB-CG1 4.09Å; M139-I146 WeakPolarHBondContact O-CG1 3.44Å; M139-I146 PolarHBondContact O-N 3.13Å
140	E	90.4	Very high	90.7	Very high	142 Å²	142	57.2 Å²	57.2	66%	0.664	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.9	175.7	-63.4	-164.3	157.2	0	0	111.5	R144	E140-R144 WeakPolarHBondContact CA-O 3.36Å
141	I	88.1	Confident	90.3	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.046	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.3	172.4	-58.3	-175.3	0	0	0	108.1	L82 T86 L91 I94 G143 R144 I146	L82-I141 HydrophobicContact CD2-CD1 4.29Å; T86-I141 HydrophobicContact CG2-CG2 4.16Å; L91-I141 HydrophobicContact CD2-CD1 4.43Å; I94-I141 HydrophobicContact CD1-CD1 3.63Å; I94-I141 HydrophobicContact CD1-CG1 4.02Å; I94-I141 HydrophobicContact CD1-CG2 4.43Å; I141-G143 PolarHBondContact O-N 2.93Å; I141-G143 VanDerWaalsContact O-N 3.15Å; I141-R144 PolarHBondContact N-O 3.18Å; I141-R144 PolarHBondContact O-N 3.16Å; I141-I146 HydrophobicContact CB-CG2 4Å; I141-I146 HydrophobicContact CD1-CD1 3.68Å; I141-I146 HydrophobicContact CD1-CG1 4.27Å; I141-I146 HydrophobicContact CD1-CG2 4.06Å; I141-I146 HydrophobicContact CG1-CD1 4.23Å; I141-I146 HydrophobicContact CG1-CG1 4.32Å; I141-I146 HydrophobicContact CG1-CG2 4Å
142	D	87.7	Confident	89.5	Confident	91 Å²	91	57.1 Å²	57.1	49%	0.487	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	33.7	-178.1	-57.2	-41.3	0	0	0	113.4	S83 T86	S83-D142 VanDerWaalsContact CB-OD2 3.23Å; S83-D142 WeakPolarHBondContact CB-OD2 3.4Å; T86-D142 PolarHBondContact OG1-OD2 3.18Å
143	G	87.7	Confident	88.4	Confident	66 Å²	66	59.9 Å²	59.9	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	26.1	-176.1	0	0	0	0	0	114.4	I141	I141-G143 PolarHBondContact O-N 2.93Å; I141-G143 VanDerWaalsContact O-N 3.15Å
144	R	89.1	Confident	87.2	Confident	111 Å²	111	64.3 Å²	64.3	42%	0.419	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.8	177.7	-46.8	-173.2	77.9	-154.5	2.1	110.1	G81 L82 E140 I141 I146	G81-R144 PolarHBondContact O-NH1 3.38Å; G81-R144 VanDerWaalsContact O-NH1 3.13Å; L82-R144 PolarHBondContact O-NH1 2.76Å; E140-R144 WeakPolarHBondContact CA-O 3.36Å; I141-R144 PolarHBondContact N-O 3.18Å; I141-R144 PolarHBondContact O-N 3.16Å; R144-I146 PolarHBondContact O-N 3.49Å
145	P	91.5	Very high	86	Confident	86 Å²	86	70 Å²	70	56%	0.558	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	127.7	174.4	27.7	-34	0	0	0	110.1	M139	M139-P145 CarbonylContact O-C 3.5Å; M139-P145 WeakPolarHBondContact O-CA 3.5Å
146	I	93.4	Very high	84.8	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	36%	0.363	C	S	.	.			trans	-94.8	148.3	177.7	61.9	150.8	0	0	0	111.3	V79 F80 L82 F95 A136 G138 M139 I141 R144	V79-I146 HydrophobicContact CG1-CB 4.28Å; V79-I146 HydrophobicContact CG1-CD1 3.81Å; F80-I146 CarbonylContact O-C 3.59Å; F80-I146 WeakPolarHBondContact O-CA 3.41Å; L82-I146 HydrophobicContact CD2-CG2 3.78Å; F95-I146 HydrophobicContact CZ-CD1 4.36Å; A136-I146 HydrophobicContact CB-CD1 4.48Å; A136-I146 WeakPolarHBondContact O-CD1 3.49Å; G138-I146 WeakPolarHBondContact CA-O 3.34Å; G138-I146 PolarHBondContact N-O 2.63Å; M139-I146 HydrophobicContact CB-CD1 4.4Å; M139-I146 HydrophobicContact CB-CG1 4.09Å; M139-I146 WeakPolarHBondContact O-CG1 3.44Å; M139-I146 PolarHBondContact O-N 3.13Å; I141-I146 HydrophobicContact CB-CG2 4Å; I141-I146 HydrophobicContact CD1-CD1 3.68Å; I141-I146 HydrophobicContact CD1-CG1 4.27Å; I141-I146 HydrophobicContact CD1-CG2 4.06Å; I141-I146 HydrophobicContact CG1-CD1 4.23Å; I141-I146 HydrophobicContact CG1-CG1 4.32Å; I141-I146 HydrophobicContact CG1-CG2 4Å; R144-I146 PolarHBondContact O-N 3.49Å
147	R	91.8	Very high	83.5	Confident	88 Å²	88	72 Å²	72	33%	0.332	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.7	175.5	169	175.9	165.6	136.2	6.6	108.8	E69 F80 D149	E69-R147 IonicContact OE1-CZ 3.72Å; E69-R147 IonicContact OE1-NH1 3.8Å; E69-R147 PolarHBondContact OE1-NH1 3.34Å; E69-R147 IonicContact OE1-NH2 3.79Å; E69-R147 PolarHBondContact OE1-NH2 2.81Å; E69-R147 VanDerWaalsContact OE1-NH2 3.16Å; E69-R147 IonicContact OE2-CZ 3.68Å; E69-R147 IonicContact OE2-NH1 3.01Å; E69-R147 PolarHBondContact OE2-NH1 3.33Å; E69-R147 IonicContact OE2-NH2 2.7Å; F80-R147 HydrophobicContact CB-CB 4.33Å; F80-R147 HydrophobicContact CD2-CG 4.46Å; F80-R147 PolarHBondContact N-O 3.16Å; F80-R147 PolarHBondContact O-N 3.06Å; R147-D149 IonicContact CZ-OD2 3.16Å; R147-D149 IonicContact NE-OD2 3.34Å; R147-D149 PolarHBondContact NE-OD2 3.14Å; R147-D149 IonicContact NH2-OD1 3.33Å; R147-D149 IonicContact NH2-OD2 3.74Å; R147-D149 PolarHBondContact NH2-OD2 3.22Å
148	C	91.9	Very high	82	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.9	179.4	-68	0	0	0	0	110.7	L77 K133 H137	L77-C148 HydrophobicContact CD2-CB 3.8Å; K133-C148 WeakPolarHBondContact CE-O 3.13Å; K133-C148 HydrophobicContact CG-CB 4.34Å; K133-C148 WeakPolarHBondContact CG-O 3.23Å; H137-C148 HydrophobicContact CB-CB 4.07Å; H137-C148 PolarHBondContact ND1-N 2.73Å; H137-C148 PolarHBondContact ND1-O 2.77Å
149	D	91.3	Very high	80.7	Confident	12 Å²	12	74.3 Å²	74.3	6%	0.064	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.7	174.9	-72.4	-52.6	0	0	0	110.5	P71 L77 G78 F80 R147	P71-D149 HydrophobicContact CG-CB 4.43Å; L77-D149 CarbonylContact C-O 3.57Å; L77-D149 WeakPolarHBondContact CA-O 3.42Å; G78-D149 PolarHBondContact N-O 3.11Å; G78-D149 PolarHBondContact O-N 3.06Å; G78-D149 VanDerWaalsContact O-N 3.09Å; F80-D149 HydrophobicContact CE2-CB 4.38Å; R147-D149 IonicContact CZ-OD2 3.16Å; R147-D149 IonicContact NE-OD2 3.34Å; R147-D149 PolarHBondContact NE-OD2 3.14Å; R147-D149 IonicContact NH2-OD1 3.33Å; R147-D149 IonicContact NH2-OD2 3.74Å; R147-D149 PolarHBondContact NH2-OD2 3.22Å
150	F	90.7	Very high	79.1	Confident	21 Å²	21	75.4 Å²	75.4	9%	0.092	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.2	166.3	-54	-67.7	0	0	0	109.8	P71 T72 P73 A129 K130 K133	P71-F150 HydrophobicContact CB-CB 4.08Å; P71-F150 WeakPolarHBondContact CB-O 3.27Å; P71-F150 HydrophobicContact CG-CB 3.81Å; P71-F150 HydrophobicContact CG-CD2 4.17Å; P71-F150 HydrophobicContact CG-CG 4.48Å; P71-F150 VanDerWaalsContact CG-O 3.29Å; P71-F150 WeakPolarHBondContact CG-O 3.42Å; T72-F150 WeakPolarHBondContact O-CB 3.33Å; P73-F150 HydrophobicContact CB-CD2 4.34Å; P73-F150 HydrophobicContact CB-CE1 4.35Å; P73-F150 HydrophobicContact CB-CE2 3.94Å; P73-F150 HydrophobicContact CB-CZ 3.97Å; A129-F150 HydrophobicContact CB-CE1 4.38Å; K130-F150 HydrophobicContact CB-CZ 4.32Å; K130-F150 HydrophobicContact CG-CE1 4.15Å; K130-F150 HydrophobicContact CG-CZ 3.71Å; K133-F150 HydrophobicContact CB-CE1 4.2Å; K133-F150 HydrophobicContact CB-CZ 4.16Å; K133-F150 HydrophobicContact CD-CD2 4.13Å; K133-F150 HydrophobicContact CD-CE1 4.43Å; K133-F150 HydrophobicContact CD-CE2 3.67Å; K133-F150 HydrophobicContact CD-CZ 3.82Å; K133-F150 HydrophobicContact CG-CZ 4.46Å
151	S	84.2	Confident	77.1	Confident	12 Å²	12	74.7 Å²	74.7	8%	0.084	41%	0.411	C	S	.	.			trans	-69	146.2	171	-168.8	0	0	0	0	110.4	C76 T153 H157	C76-S151 PolarHBondContact O-N 3.39Å; C76-S151 WeakPolarHBondContact SG-CB 3.21Å; S151-T153 WeakPolarHBondContact CB-O 3.11Å; S151-T153 PolarHBondContact O-N 3.02Å; S151-T153 PolarHBondContact OG-N 3.35Å; S151-T153 PolarHBondContact OG-O 2.75Å; S151-T153 PolarHBondContact OG-OG1 2.88Å; S151-H157 PolarHBondContact OG-NE2 2.77Å
152	I	74.9	Confident	75.3	Confident	141 Å²	141	76.7 Å²	76.7	72%	0.723	43%	0.434	S	S	*	.	S	Bend	trans	-72.9	-14.3	172.3	-61.4	170.2	0	0	0	110.4
153	T	71.4	Confident	73.8	Confident	59 Å²	59	78.4 Å²	78.4	36%	0.362	44%	0.442	S	S	.	.			trans	-124.3	132.5	-179.5	56.4	0	0	0	0	111.6	S151 R155 H157	S151-T153 WeakPolarHBondContact CB-O 3.11Å; S151-T153 PolarHBondContact O-N 3.02Å; S151-T153 PolarHBondContact OG-N 3.35Å; S151-T153 PolarHBondContact OG-O 2.75Å; S151-T153 PolarHBondContact OG-OG1 2.88Å; T153-R155 VanDerWaalsContact C-N 3.33Å; T153-R155 PolarHBondContact O-N 2.82Å; T153-H157 PolarHBondContact OG1-CE1 2.78Å; T153-H157 PolarHBondContact OG1-NE2 2.77Å
154	E	67.6	Low	72.3	Confident	131 Å²	131	80.8 Å²	80.8	61%	0.612	43%	0.431	S	S	*	.			trans	-82.4	-10	-178	-45.8	-169.8	131.9	0	0	113.8
155	R	66.3	Low	70.7	Confident	204 Å²	204	83.4 Å²	83.4	77%	0.77	45%	0.45	S	S	*	.	S	Bend	trans	-91.5	151.7	-172.4	-63.5	178.9	-177.4	165.2	0.9	111.6	Y122 T153 H157	Y122-R155 WeakPolarHBondContact CE1-O 3.28Å; Y122-R155 PolarHBondContact OH-O 2.82Å; T153-R155 VanDerWaalsContact C-N 3.33Å; T153-R155 PolarHBondContact O-N 2.82Å; R155-H157 PolarHBondContact O-N 2.92Å
156	P	64.6	Low	69	Low	84 Å²	84	80.9 Å²	80.9	55%	0.545	44%	0.439	S	S	.	.			trans	-46.7	125.3	160.8	-29.2	37.1	0	0	0	110.3	Y122 S158	Y122-P156 VanDerWaalsContact OH-CA 3.26Å; Y122-P156 WeakPolarHBondContact OH-CA 3.21Å; P156-S158 PolarHBondContact O-N 2.96Å; P156-S158 VanDerWaalsContact O-N 3.16Å
157	H	62.5	Low	66.9	Low	58 Å²	58	92.2 Å²	92.2	27%	0.269	48%	0.481	S	S	.	.			trans	-77	105.9	-179.2	-84.8	-72.6	0	0	0	109	Q105 F120 Y122 S151 T153 R155	Q105-H157 PolarHBondContact NE2-O 2.89Å; Q105-H157 PolarHBondContact OE1-O 2.85Å; Q105-H157 VanDerWaalsContact OE1-O 3.13Å; F120-H157 AromaticContact CD1-CD2 3.73Å; F120-H157 AromaticContact CD1-NE2 3.94Å; F120-H157 HydrophobicContact CD2-CB 4.38Å; F120-H157 AromaticContact CD2-CD2 3.44Å; F120-H157 VanDerWaalsContact CD2-CD2 3.44Å; F120-H157 WeakPolarHBondContact CD2-CD2 3.12Å; F120-H157 AromaticContact CE1-CD2 3.57Å; F120-H157 AromaticContact CE1-NE2 3.42Å; F120-H157 WeakPolarHBondContact CE1-NE2 3.34Å; F120-H157 HydrophobicContact CE2-CB 4.3Å; F120-H157 AromaticContact CE2-CD2 3.26Å; F120-H157 WeakPolarHBondContact CE2-CD2 3.26Å; F120-H157 AromaticContact CE2-CG 3.9Å; F120-H157 AromaticContact CE2-NE2 3.82Å; F120-H157 AromaticContact CG-CD2 3.67Å; F120-H157 AromaticContact CZ-CD2 3.33Å; F120-H157 WeakPolarHBondContact CZ-CD2 3.32Å; F120-H157 AromaticContact CZ-NE2 3.35Å; F120-H157 WeakPolarHBondContact CZ-NE2 3.34Å; Y122-H157 PolarHBondContact OH-N 2.76Å; S151-H157 PolarHBondContact OG-NE2 2.77Å; T153-H157 PolarHBondContact OG1-CE1 2.78Å; T153-H157 PolarHBondContact OG1-NE2 2.77Å; R155-H157 PolarHBondContact O-N 2.92Å
158	S	59.6	Low	64.9	Low	96 Å²	96	92.8 Å²	92.8	67%	0.671	50%	0.497	S	S	*	.			trans	-49.5	130.6	164.4	-53.2	0	0	0	0	108.9	P156 T160	P156-S158 PolarHBondContact O-N 2.96Å; P156-S158 VanDerWaalsContact O-N 3.16Å; S158-T160 WeakPolarHBondContact O-CA 3.45Å; S158-T160 PolarHBondContact O-N 3.24Å
159	P	59.6	Low	62.8	Low	88 Å²	88	98.8 Å²	98.8	57%	0.571	54%	0.539	S	S	*	.			trans	-54.7	111.8	-173.7	20.7	-32.8	0	0	0	108.8	P161	P159-P161 WeakPolarHBondContact O-CD 3.45Å
160	T	56.2	Low	60.9	Low	81 Å²	81	107.6 Å²	107.6	50%	0.497	57%	0.571	S	S	.	*			trans	-51.4	107.9	-156	63.9	0	0	0	0	110.7	S158 G162	S158-T160 WeakPolarHBondContact O-CA 3.45Å; S158-T160 PolarHBondContact O-N 3.24Å; T160-G162 PolarHBondContact O-N 2.92Å
161	P	48.5	Very low	59.1	Low	127 Å²	127	117.3 Å²	117.3	83%	0.825	61%	0.607	S	S	*	*	S	Bend	trans	-67.4	105.8	-160.2	22	-32.9	0	0	0	111	P159	P159-P161 WeakPolarHBondContact O-CD 3.45Å
162	G	51.9	Low	57.4	Low	51 Å²	51	122.6 Å²	122.6	53%	0.526	64%	0.641	S	S	.	*	S	Bend	trans	147.4	146.3	-172.8	0	0	0	0	0	110.8	T160 Y164	T160-G162 PolarHBondContact O-N 2.92Å; G162-Y164 PolarHBondContact O-N 2.82Å
163	I	54.6	Low	56.3	Low	127 Å²	127	121.8 Å²	121.8	65%	0.651	64%	0.637	S	S	*	*			trans	-60.3	122.6	173.8	-60.3	169.9	0	0	0	107.6	M165	I163-M165 HydrophobicContact CB-CG 4.38Å; I163-M165 HydrophobicContact CG2-CG 4.05Å; I163-M165 PolarHBondContact O-N 2.96Å
164	Y	56	Low	55.2	Low	115 Å²	115	124.2 Å²	124.2	45%	0.451	65%	0.654	S	S	.	*			trans	-74	86.2	171.7	-170.4	-116.8	0	0	0	109	R116 F118 G162 G166	R116-Y164 HydrophobicContact CB-CD1 4.48Å; R116-Y164 HydrophobicContact CB-CE1 4.41Å; R116-Y164 HydrophobicContact CG-CD1 3.9Å; R116-Y164 HydrophobicContact CG-CE1 4.32Å; R116-Y164 VanDerWaalsContact NH2-CE2 3.29Å; R116-Y164 VanDerWaalsContact NH2-CG 3.25Å; F118-Y164 HydrophobicContact CE1-CE1 4.4Å; G162-Y164 PolarHBondContact O-N 2.82Å; Y164-G166 PolarHBondContact O-N 2.91Å
165	M	56.5	Low	54.2	Low	167 Å²	167	129.2 Å²	129.2	82%	0.823	67%	0.667	S	S	*	*			trans	-69.2	53	170.8	-59.5	178	124	0	0	110.6	I163	I163-M165 HydrophobicContact CB-CG 4.38Å; I163-M165 HydrophobicContact CG2-CG 4.05Å; I163-M165 PolarHBondContact O-N 2.96Å
166	G	55.9	Low	53.2	Low	32 Å²	32	130.9 Å²	130.9	33%	0.33	67%	0.673	S	S	.	*			trans	-50.8	150.8	174.6	0	0	0	0	0	110.1	Y164 P168	Y164-G166 PolarHBondContact O-N 2.91Å; G166-P168 WeakPolarHBondContact O-CD 3.26Å
167	R	50	Low	52.2	Low	242 Å²	242	138.3 Å²	138.3	91%	0.913	69%	0.69	S	S	*	*	S	Bend	trans	-41.7	112.9	-170.1	-155.5	-178.7	-145.4	-99.6	7.8	109.6	S169	R167-S169 PolarHBondContact O-N 2.85Å
168	P	48.8	Very low	51.1	Low	101 Å²	101	140.6 Å²	140.6	66%	0.656	71%	0.713	S	S	*	*			trans	-53.3	120.2	-166.7	-30.7	34.4	0	0	0	110.2	G166 R170	G166-P168 WeakPolarHBondContact O-CD 3.26Å; P168-R170 HydrophobicContact CB-CG 4.46Å; P168-R170 PolarHBondContact O-N 3.16Å
169	S	48.5	Very low	50.7	Low	126 Å²	126	143.5 Å²	143.5	88%	0.881	72%	0.719	S	S	*	*			trans	-74.7	49.7	173.8	-162.9	0	0	0	0	110.4	R167	R167-S169 PolarHBondContact O-N 2.85Å
170	R	51.1	Low	50	Low	196 Å²	196	143.9 Å²	143.9	74%	0.74	72%	0.724	S	S	*	*			trans	-96.3	92.6	163.2	-63.8	-173.9	-176.4	-173	3.5	104.5	P168	P168-R170 HydrophobicContact CB-CG 4.46Å; P168-R170 PolarHBondContact O-N 3.16Å
171	R	53.6	Low	49.6	Very low	226 Å²	226	146 Å²	146	85%	0.853	74%	0.739	S	S	*	*			trans	-35.7	130.3	146.5	-73.9	-176.2	169.4	-156.4	-3.1	106.2	I173	R171-I173 PolarHBondContact O-N 3.32Å
172	P	47.6	Very low	49.6	Very low	122 Å²	122	151.3 Å²	151.3	79%	0.792	74%	0.743	S	S	*	*			trans	-53	108.5	-173	-24.5	32.4	0	0	0	108.2	P174	P172-P174 VanDerWaalsContact O-CD 3.26Å; P172-P174 WeakPolarHBondContact O-CD 3.36Å
173	I	51.8	Low	49.2	Very low	125 Å²	125	152.3 Å²	152.3	64%	0.641	75%	0.753	S	S	*	*			trans	-56	116	172	-62.7	173.3	0	0	0	102.2	R171 R175	R171-I173 PolarHBondContact O-N 3.32Å; I173-R175 PolarHBondContact O-N 2.76Å
174	P	49.1	Very low	48.4	Very low	110 Å²	110	157.9 Å²	157.9	71%	0.714	77%	0.766	S	S	*	*			trans	-58.5	111	-175.1	22.2	-31.4	0	0	0	104.6	P172 R176	P172-P174 VanDerWaalsContact O-CD 3.26Å; P172-P174 WeakPolarHBondContact O-CD 3.36Å; P174-R176 VanDerWaalsContact C-N 3.35Å; P174-R176 PolarHBondContact O-N 2.87Å
175	R	46.2	Very low	47.6	Very low	236 Å²	236	160.2 Å²	160.2	89%	0.891	78%	0.775	S	S	*	*			trans	-52.8	109.9	-179.6	-74.5	-174.5	177.5	-165.8	-0.9	104	I173 R177	I173-R175 PolarHBondContact O-N 2.76Å; R175-R177 PolarHBondContact O-N 2.97Å
176	R	45.7	Very low	46.9	Very low	239 Å²	239	156.7 Å²	156.7	90%	0.902	77%	0.767	S	S	*	*			trans	-45.9	112.6	-179.1	-105	-176.9	170.4	-115.9	2.8	104.2	P174 S178	P174-R176 VanDerWaalsContact C-N 3.35Å; P174-R176 PolarHBondContact O-N 2.87Å; R176-S178 VanDerWaalsContact C-N 3.28Å; R176-S178 PolarHBondContact O-N 3.18Å
177	R	42.3	Very low	46.3	Very low	239 Å²	239	163.5 Å²	163.5	90%	0.902	78%	0.783	S	S	*	*			trans	-55.5	107.5	175	-83.4	-178.2	171.3	178	-2.5	103.4	R175 I179	R175-R177 PolarHBondContact O-N 2.97Å; R177-I179 PolarHBondContact O-N 2.87Å
178	S	40.8	Very low	45.7	Very low	107 Å²	107	157 Å²	157	75%	0.748	77%	0.774	S	S	*	*			trans	-53.4	114.2	174.4	44	0	0	0	0	104.3	R176 S180	R176-S178 VanDerWaalsContact C-N 3.28Å; R176-S178 PolarHBondContact O-N 3.18Å; S178-S180 PolarHBondContact O-N 3.31Å
179	I	50.1	Low	45.4	Very low	156 Å²	156	162.4 Å²	162.4	80%	0.8	78%	0.782	S	S	*	*			trans	-56.7	111.3	179.1	-137	75.7	0	0	0	103.8	R177 P181	R177-I179 PolarHBondContact O-N 2.87Å; I179-P181 WeakPolarHBondContact O-CD 3.39Å; I179-P181 VanDerWaalsContact O-N 3.16Å
180	S	45.4	Very low	45.3	Very low	97 Å²	97	162 Å²	162	68%	0.678	78%	0.779	S	S	*	*			trans	-59.3	125.7	-178.2	27.7	0	0	0	0	105.6	S178 R182	S178-S180 PolarHBondContact O-N 3.31Å; S180-R182 PolarHBondContact O-N 3.33Å
181	P	47.7	Very low	44.6	Very low	124 Å²	124	164.5 Å²	164.5	81%	0.805	79%	0.788	S	S	*	*			trans	-55.9	104.7	-175	-27.8	35.6	0	0	0	109.1	I179 G183	I179-P181 WeakPolarHBondContact O-CD 3.39Å; I179-P181 VanDerWaalsContact O-N 3.16Å; P181-G183 PolarHBondContact O-N 2.96Å
182	R	48.2	Very low	44.4	Very low	240 Å²	240	158.8 Å²	158.8	91%	0.906	78%	0.783	S	S	*	*			trans	-67.2	102.7	-172.4	-157.7	179.7	-166.4	-176.2	4.4	105.9	S180 R184	S180-R182 PolarHBondContact O-N 3.33Å; R182-R184 PolarHBondContact O-N 3.12Å
183	G	42.5	Very low	44.2	Very low	71 Å²	71	164.3 Å²	164.3	73%	0.732	79%	0.788	S	S	*	*			trans	-53.5	109.5	-161.3	0	0	0	0	0	112.1	P181 Y185	P181-G183 PolarHBondContact O-N 2.96Å; G183-Y185 PolarHBondContact O-N 2.92Å
184	R	38	Very low	43.7	Very low	245 Å²	245	162.2 Å²	162.2	93%	0.925	78%	0.784	S	S	*	*			trans	-72.3	77	169.8	-69.6	-170.2	-173.8	-165.9	3.9	109.1	R182 S186	R182-R184 PolarHBondContact O-N 3.12Å; R184-S186 VanDerWaalsContact C-N 3.33Å; R184-S186 PolarHBondContact O-N 3.2Å
185	Y	40.5	Very low	43.7	Very low	163 Å²	163	167.1 Å²	167.1	64%	0.639	79%	0.79	S	S	*	*			trans	-75.7	95.4	154.1	167.9	-122.9	0	0	0	107.5	G183 R187	G183-Y185 PolarHBondContact O-N 2.92Å; Y185-R187 HydrophobicContact CD1-CB 4.15Å; Y185-R187 HydrophobicContact CE1-CB 3.61Å; Y185-R187 HydrophobicContact CE1-CG 3.77Å; Y185-R187 PolarHBondContact O-N 3.38Å; Y185-R187 PolarHBondContact OH-NE 3.28Å
186	S	41.1	Very low	43.6	Very low	94 Å²	94	162.5 Å²	162.5	66%	0.657	78%	0.783	S	S	*	*			trans	-63.6	94.4	169.5	48.5	0	0	0	0	109.5	R184 S188	R184-S186 VanDerWaalsContact C-N 3.33Å; R184-S186 PolarHBondContact O-N 3.2Å; S186-S188 PolarHBondContact O-N 3.39Å; S186-S188 VanDerWaalsContact O-N 3.12Å
187	R	42.7	Very low	43.3	Very low	175 Å²	175	159 Å²	159	66%	0.66	78%	0.781	S	S	*	*			trans	-83	84.4	173.1	-164.2	166.7	-131	-179.8	-0.3	109.5	Y185 R189	Y185-R187 HydrophobicContact CD1-CB 4.15Å; Y185-R187 HydrophobicContact CE1-CB 3.61Å; Y185-R187 HydrophobicContact CE1-CG 3.77Å; Y185-R187 PolarHBondContact O-N 3.38Å; Y185-R187 PolarHBondContact OH-NE 3.28Å; R187-R189 PolarHBondContact O-N 3.33Å
188	S	37.6	Very low	43.4	Very low	106 Å²	106	157.7 Å²	157.7	74%	0.741	80%	0.799	S	S	*	*			trans	-55.4	100.4	173.5	-38.6	0	0	0	0	110.1	S186	S186-S188 PolarHBondContact O-N 3.39Å; S186-S188 VanDerWaalsContact O-N 3.12Å
189	R	42.7	Very low	43.6	Very low	214 Å²	214	160.2 Å²	160.2	81%	0.808	80%	0.802	S	S	*	*			trans	-114.3	81.8	165.3	-90.5	-174.7	165.4	-179.6	-6.1	107.5	R187 R191	R187-R189 PolarHBondContact O-N 3.33Å; R189-R191 PolarHBondContact O-N 3.03Å
190	S	46.1	Very low	43.2	Very low	118 Å²	118	160.4 Å²	160.4	83%	0.825	80%	0.802	S	S	*	*			trans	-58.9	122.2	170.4	-52	0	0	0	0	108.9
191	R	37.1	Very low	43.1	Very low	248 Å²	248	163.9 Å²	163.9	94%	0.936	81%	0.809	S	S	*	*			trans	-100.6	114.9	173.4	-87.9	176.2	159	177.1	-6.3	108.8	R189	R189-R191 PolarHBondContact O-N 3.03Å
192	S	48.7	Very low	42.8	Very low	105 Å²	105	166.3 Å²	166.3	73%	0.734	81%	0.809	S	S	*	*			trans	-155.4	123.7	160.6	-21.2	0	0	0	0	103.8
193	R	43.3	Very low	42.5	Very low	239 Å²	239	161.7 Å²	161.7	90%	0.902	80%	0.803	S	S	*	*			cis	47.4	117.8	37.5	-79.8	-172.7	173.1	-178.1	-4.4	110.6
194	S	42	Very low	42.5	Very low	80 Å²	80	167.7 Å²	167.7	56%	0.559	81%	0.808	S	S	*	*			cis	-174	177.4	12.3	30.3	0	0	0	0	111
195	Y	49.3	Very low	42.8	Very low	213 Å²	213	162.2 Å²	162.2	84%	0.835	80%	0.799	S	S	*	*			trans	98.2	146.2	161.3	-54.5	-66.7	0	0	0	119.3
196	D	44.1	Very low	43	Very low	140 Å²	140	162.2 Å²	162.2	75%	0.749	81%	0.812	S	S	*	*			trans	-108.2	-176.5	-161.1	-55.1	-92.3	0	0	0	113.2
197	L	39.1	Very low	43.1	Very low	165 Å²	165	167.8 Å²	167.8	86%	0.864	82%	0.824	S	S	*	*			trans	69.1	129.1	174.5	-64.6	122.6	0	0	0	114.9
198	V	45	Very low	43.2	Very low	211 Å²	211	167.2 Å²	167.2	100%	1.279	84%	0.839	S	S	*	*			cis	-124.2	0	39.4	175	0	0	0	0	112.7

Retrieved 198 of 198 residues in 64.5 ms (Link to these results)

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