G4VPR1_SCHMA Loading...

Transformer-2-related

AlphaFold DB , UniProt , Accession G4VPR1, 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 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	49.3	Very low	56.5	Low	239 Å²	239	163.4 Å²	163.4	100%	1.177	86%	0.859	S	S	*	*				0	156.7	0	-77.5	172.1	165	0	0	109.5
2	R	57.2	Low	55.2	Low	245 Å²	245	155.4 Å²	155.4	93%	0.925	85%	0.846	S	S	*	*			trans	30.2	111.9	161.2	-58.9	-174.2	-176.8	-147.3	-1.9	119
3	R	47.7	Very low	54.5	Low	233 Å²	233	158.2 Å²	158.2	88%	0.879	84%	0.838	S	S	*	*			trans	-80.4	158.8	153	-59.9	178	-178.2	175.7	-0.2	109.5
4	T	71.7	Confident	54.1	Low	133 Å²	133	164.1 Å²	164.1	82%	0.816	84%	0.844	S	S	*	*			trans	-142.9	110.8	170	51.4	0	0	0	0	110.2
5	D	54.8	Low	53	Low	157 Å²	157	164 Å²	164	84%	0.84	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-88.7	155.4	176.3	-60.6	-72.9	0	0	0	111.6
6	S	67.7	Low	52.6	Low	114 Å²	114	161.3 Å²	161.3	80%	0.797	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-98	150	-177.7	-65.5	0	0	0	0	112.7
7	P	62.1	Low	51.8	Low	124 Å²	124	159.5 Å²	159.5	81%	0.805	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-79.8	155.3	-168.1	31.6	-36.7	0	0	0	115
8	I	51.6	Low	51.2	Low	168 Å²	168	156.5 Å²	156.5	86%	0.862	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-84	133.4	174.9	-62.4	167.2	0	0	0	109.9
9	T	57.2	Low	50.8	Low	137 Å²	137	155.2 Å²	155.2	84%	0.84	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-85.7	133.5	171.9	45.5	0	0	0	0	111.7
10	S	51.2	Low	50.2	Low	114 Å²	114	159.2 Å²	159.2	80%	0.797	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-99.4	146.3	171.6	57.8	0	0	0	0	110.6
11	N	50.8	Low	49.8	Very low	133 Å²	133	157.1 Å²	157.1	71%	0.711	84%	0.838	S	S	*	*			trans	-143.6	116.9	164.9	-116.5	-29.6	0	0	0	108.4	Y13	N11-Y13 HydrophobicContact CB-CE2 4.4Å; N11-Y13 PolarHBondContact ND2-OH 3.31Å; N11-Y13 PolarHBondContact OD1-OH 2.71Å; N11-Y13 VanDerWaalsContact OD1-OH 3.13Å
12	G	40.6	Very low	49.1	Very low	68 Å²	68	156.3 Å²	156.3	70%	0.701	82%	0.822	S	S	*	*			trans	-125.7	134.5	-179.5	0	0	0	0	0	110.3
13	Y	46.7	Very low	48	Very low	191 Å²	191	156 Å²	156	75%	0.749	82%	0.821	S	S	*	*			trans	-120	136.6	177.9	-55.2	-64.3	0	0	0	109.8	N11	N11-Y13 HydrophobicContact CB-CE2 4.4Å; N11-Y13 PolarHBondContact ND2-OH 3.31Å; N11-Y13 PolarHBondContact OD1-OH 2.71Å; N11-Y13 VanDerWaalsContact OD1-OH 3.13Å
14	R	48.2	Very low	47.3	Very low	242 Å²	242	155.3 Å²	155.3	91%	0.913	82%	0.82	S	S	*	*			trans	-81.3	146.2	-165.1	-67.6	179.2	172.2	-170.3	-3	112.6
15	N	37.9	Very low	45.7	Very low	162 Å²	162	152 Å²	152	87%	0.866	80%	0.802	S	S	*	*			trans	-68	141.1	156.7	-69.7	-52	0	0	0	110.1
16	S	47.3	Very low	45.1	Very low	121 Å²	121	155.4 Å²	155.4	85%	0.846	80%	0.803	S	S	*	*			trans	-132.1	151	161.5	57.5	0	0	0	0	109.2
17	V	38.5	Very low	43.7	Very low	130 Å²	130	153.9 Å²	153.9	79%	0.788	79%	0.793	S	S	*	*			trans	-133.8	153.9	-164.5	-175.5	0	0	0	0	109.9
18	S	40.5	Very low	42.8	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	80%	0.796	S	S	*	*			trans	90.6	160	168.5	-43	0	0	0	0	116.4
19	P	44.9	Very low	42.3	Very low	131 Å²	131	156 Å²	156	85%	0.851	79%	0.789	S	S	*	*			cis	-131.2	-170.2	-23.5	24.4	-1	0	0	0	114
20	R	37.9	Very low	41.8	Very low	236 Å²	236	160.9 Å²	160.9	89%	0.891	79%	0.792	S	S	*	*			trans	-79.1	140.7	-177.6	-67.3	166.1	158.3	177	-5.5	115.8
21	S	42	Very low	41.2	Very low	115 Å²	115	161 Å²	161	80%	0.804	79%	0.793	S	S	*	*			trans	-154.9	142.7	139.7	55.8	0	0	0	0	108.2
22	R	34.7	Very low	41	Very low	223 Å²	223	163.7 Å²	163.7	84%	0.842	80%	0.799	S	S	*	*			cis	94.7	120.9	22.7	-80.9	-167.8	170.3	-177.9	-1.2	115.9
23	R	35.1	Very low	40.9	Very low	239 Å²	239	165.5 Å²	165.5	90%	0.902	80%	0.8	S	S	*	*			trans	79.1	128.6	174.8	-59.2	174.9	177	171	-1.8	113.8
24	Y	32	Very low	40.7	Very low	217 Å²	217	165 Å²	165	85%	0.851	81%	0.805	S	S	*	*			cis	77.8	120.5	47.9	-165.3	-94.6	0	0	0	110.6
25	S	37.7	Very low	40.3	Very low	63 Å²	63	158.1 Å²	158.1	44%	0.441	79%	0.793	S	S	.	*			cis	-168.7	-171.1	14	53.3	0	0	0	0	113.3
26	R	42.8	Very low	40.3	Very low	229 Å²	229	161.1 Å²	161.1	86%	0.864	79%	0.793	S	S	*	*			trans	77.8	151.1	159.9	-67.8	164.6	173.9	174.9	-2.4	117.2
27	S	38	Very low	39.9	Very low	83 Å²	83	167 Å²	167	58%	0.58	80%	0.796	S	S	*	*			cis	-175.7	160.4	-24.7	60.5	0	0	0	0	111.8
28	R	44.2	Very low	39.8	Very low	233 Å²	233	170.2 Å²	170.2	88%	0.879	80%	0.795	S	S	*	*			trans	70.3	148.9	155.9	-69.5	165	175.2	-179.9	-2.9	116
29	S	40.8	Very low	39.7	Very low	102 Å²	102	176 Å²	176	71%	0.713	80%	0.801	S	S	*	*			cis	-166	174.7	-4	-106.2	0	0	0	0	112.5
30	R	45.6	Very low	39.2	Very low	240 Å²	240	174.3 Å²	174.3	91%	0.906	79%	0.792	S	S	*	*			trans	103.1	91.7	157.9	-58.2	-174.5	172.1	161.3	-1.8	119.4
31	S	39.8	Very low	39.1	Very low	116 Å²	116	174.7 Å²	174.7	81%	0.811	79%	0.794	S	S	*	*				17.4	152	124.9	-39.4	0	0	0	0	120.8
32	K	47.1	Very low	38.9	Very low	191 Å²	191	174.9 Å²	174.9	83%	0.83	80%	0.795	S	S	*	*			cis	-153	156	36.7	-70.6	176.5	173.7	176.3	0	114.1
33	S	37.5	Very low	38.9	Very low	105 Å²	105	167 Å²	167	73%	0.734	78%	0.782	S	S	*	*			trans	53.5	148.7	149	-54.8	0	0	0	0	120.7
34	H	41.7	Very low	38.9	Very low	182 Å²	182	160.5 Å²	160.5	84%	0.843	77%	0.774	S	S	*	*			cis	-125	175.1	12.6	-114	105.5	0	0	0	113.4
35	S	40	Very low	39.4	Very low	97 Å²	97	159.5 Å²	159.5	68%	0.678	77%	0.768	S	S	*	*			trans	-106.5	123.8	-157.7	39.6	0	0	0	0	117.2
36	R	38.9	Very low	39.5	Very low	225 Å²	225	162.2 Å²	162.2	85%	0.849	78%	0.778	S	S	*	*			trans	35.4	126.6	134	-51.1	-179.5	-171.7	-176	3.2	119.5
37	R	37.8	Very low	39.8	Very low	243 Å²	243	158.7 Å²	158.7	92%	0.917	77%	0.769	S	S	*	*			trans	-135.6	141.2	138.2	-162.9	164.6	-76.2	-165.4	-2.4	110.9
38	Y	36.8	Very low	40.1	Very low	198 Å²	198	165 Å²	165	78%	0.776	78%	0.782	S	S	*	*			trans	-73.8	149.6	-171.1	-59.8	-103.4	0	0	0	113.4
39	R	39.1	Very low	40	Very low	229 Å²	229	163.6 Å²	163.6	86%	0.864	78%	0.777	S	S	*	*				176.6	111.8	102.5	-97.9	179.5	176.5	170.4	-0.4	115.9
40	S	33.4	Very low	40	Very low	94 Å²	94	170.1 Å²	170.1	66%	0.657	79%	0.786	S	S	*	*				47.1	133.8	126.9	66.3	0	0	0	0	124.1
41	R	35.8	Very low	39.7	Very low	245 Å²	245	163.3 Å²	163.3	93%	0.925	78%	0.775	S	S	*	*			trans	85.4	150.5	143.9	-73.5	170.7	174.6	179.6	-2.6	119.9
42	S	38.2	Very low	40	Very low	119 Å²	119	163.8 Å²	163.8	83%	0.832	78%	0.775	S	S	*	*			trans	61.7	131.5	-172.4	-129.7	0	0	0	0	114.9
43	G	35.5	Very low	39.7	Very low	56 Å²	56	157.1 Å²	157.1	58%	0.577	76%	0.761	S	S	*	*			cis	102.2	117.1	0.2	0	0	0	0	0	113.1
44	S	35.2	Very low	40	Very low	103 Å²	103	162.2 Å²	162.2	72%	0.72	77%	0.766	S	S	*	*			trans	72.7	146.8	176.9	83.9	0	0	0	0	118.1
45	R	41.3	Very low	39.8	Very low	196 Å²	196	156.9 Å²	156.9	74%	0.74	76%	0.76	S	S	*	*			trans	81.8	62.4	159.5	-59.2	173.2	-168.1	-174.5	2.2	118.6	F47	R45-F47 HydrophobicContact CB-CD2 3.86Å; R45-F47 HydrophobicContact CG-CD2 4Å; R45-F47 HydrophobicContact CG-CE2 4.25Å; R45-F47 PolarHBondContact O-N 2.98Å
46	D	40.2	Very low	40	Very low	120 Å²	120	162 Å²	162	64%	0.642	77%	0.766	S	S	*	*			trans	-58.6	86.9	143.1	-82.4	-95.9	0	0	0	110	R49	D46-R49 IonicContact OD1-CZ 3.6Å; D46-R49 IonicContact OD1-NE 2.81Å; D46-R49 PolarHBondContact OD1-NE 2.76Å; D46-R49 IonicContact OD1-NH2 3.5Å
47	F	48.5	Very low	40	Very low	156 Å²	156	162.1 Å²	162.1	68%	0.684	77%	0.767	S	S	*	*			trans	-125.1	-0	172.2	-88.8	-86.9	0	0	0	113.7	R45	R45-F47 HydrophobicContact CB-CD2 3.86Å; R45-F47 HydrophobicContact CG-CD2 4Å; R45-F47 HydrophobicContact CG-CE2 4.25Å; R45-F47 PolarHBondContact O-N 2.98Å
48	Y	43.8	Very low	40.3	Very low	215 Å²	215	155.3 Å²	155.3	84%	0.843	76%	0.756	S	S	*	*			trans	-107.8	2	-177.8	-56.9	-71.3	0	0	0	113.8	R50	Y48-R50 PolarHBondContact O-N 3.37Å
49	R	42.2	Very low	40.6	Very low	204 Å²	204	150.6 Å²	150.6	77%	0.77	75%	0.752	S	S	*	*	S	Bend	trans	-76.4	103.4	167.1	-67.1	-171.7	-167.2	-125.2	2.7	109.2	D46	D46-R49 IonicContact OD1-CZ 3.6Å; D46-R49 IonicContact OD1-NE 2.81Å; D46-R49 PolarHBondContact OD1-NE 2.76Å; D46-R49 IonicContact OD1-NH2 3.5Å
50	R	41.1	Very low	40.8	Very low	238 Å²	238	143 Å²	143	90%	0.898	74%	0.744	S	S	*	*			trans	53.1	74.7	170.6	-60.9	179.9	172.3	-167.6	-2.5	114.7	Y48 P52	Y48-R50 PolarHBondContact O-N 3.37Å; R50-P52 VanDerWaalsContact O-CD 3.3Å; R50-P52 WeakPolarHBondContact O-CD 3.5Å
51	S	40.9	Very low	41.3	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	75%	0.751	S	S	*	*			trans	-70.2	118.5	145.3	-48.6	0	0	0	0	107.6	G53	S51-G53 PolarHBondContact O-N 3.36Å
52	P	45.5	Very low	41.8	Very low	126 Å²	126	145.8 Å²	145.8	82%	0.818	75%	0.746	S	S	*	*			trans	-66.4	108.5	165.7	-11.6	28.6	0	0	0	106.2	R50 Y54	R50-P52 VanDerWaalsContact O-CD 3.3Å; R50-P52 WeakPolarHBondContact O-CD 3.5Å; P52-Y54 PolarHBondContact O-N 2.69Å; P52-Y54 VanDerWaalsContact O-N 3.15Å
53	G	39.8	Very low	42.3	Very low	52 Å²	52	149.3 Å²	149.3	54%	0.536	74%	0.741	S	S	.	*			trans	-56.2	122.1	-176	0	0	0	0	0	110.5	S51 G55	S51-G53 PolarHBondContact O-N 3.36Å; G53-G55 PolarHBondContact O-N 3.47Å; G53-G55 VanDerWaalsContact O-N 3.17Å
54	Y	45.4	Very low	42.8	Very low	211 Å²	211	153.4 Å²	153.4	83%	0.827	74%	0.743	S	S	*	*			trans	-13.8	108.2	171.1	45.3	-86	0	0	0	112.4	P52 Y56	P52-Y54 PolarHBondContact O-N 2.69Å; P52-Y54 VanDerWaalsContact O-N 3.15Å; Y54-Y56 PolarHBondContact O-N 2.87Å
55	G	37	Very low	43.4	Very low	71 Å²	71	157 Å²	157	73%	0.732	75%	0.753	S	S	*	*			trans	-66.2	93.1	-163.8	0	0	0	0	0	113.1	G53 R57	G53-G55 PolarHBondContact O-N 3.47Å; G53-G55 VanDerWaalsContact O-N 3.17Å; G55-R57 PolarHBondContact O-N 2.75Å
56	Y	43.1	Very low	43.9	Very low	205 Å²	205	149.9 Å²	149.9	80%	0.804	74%	0.741	S	S	*	*			trans	-66.9	74.6	145.8	72.7	-81.5	0	0	0	107.3	Y54 S58	Y54-Y56 PolarHBondContact O-N 2.87Å; Y56-S58 PolarHBondContact O-N 2.91Å
57	R	38.6	Very low	44.6	Very low	227 Å²	227	149.2 Å²	149.2	86%	0.857	74%	0.743	S	S	*	*			trans	-50.6	119.2	156.6	-92.8	-172.6	167.1	-141	-1.3	104.7	G55 S59	G55-R57 PolarHBondContact O-N 2.75Å; R57-S59 PolarHBondContact O-N 3.13Å
58	S	45.8	Very low	44.9	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	74%	0.735	S	S	*	*			trans	-73	48.6	175	-178.5	0	0	0	0	110.5	Y56	Y56-S58 PolarHBondContact O-N 2.91Å
59	S	42.3	Very low	45.7	Very low	100 Å²	100	143.5 Å²	143.5	70%	0.699	72%	0.72	S	S	*	*			trans	-66.2	130.8	179.1	-169.9	0	0	0	0	109	R57 R61	R57-S59 PolarHBondContact O-N 3.13Å; S59-R61 PolarHBondContact O-N 2.86Å
60	G	43.1	Very low	46.7	Very low	68 Å²	68	139.3 Å²	139.3	70%	0.701	71%	0.714	S	S	*	*			trans	65.3	7.7	155.7	0	0	0	0	0	118	K62	G60-K62 PolarHBondContact O-N 3.39Å
61	R	44.5	Very low	48.1	Very low	212 Å²	212	129.2 Å²	129.2	80%	0.8	68%	0.679	S	S	*	*			trans	-64.4	91.8	155	-93.9	-149.8	-173.1	-153.8	2.7	106.8	S59 R63	S59-R61 PolarHBondContact O-N 2.86Å; R61-R63 PolarHBondContact O-N 3.44Å
62	K	46.2	Very low	50.1	Low	186 Å²	186	129.8 Å²	129.8	81%	0.809	68%	0.678	S	S	*	*			trans	-58.3	77.9	159.4	-69.5	-177.8	177.2	-178.5	0	107.8	G60 F64	G60-K62 PolarHBondContact O-N 3.39Å; K62-F64 PolarHBondContact O-N 2.94Å
63	R	48.6	Very low	52	Low	193 Å²	193	127.5 Å²	127.5	73%	0.728	66%	0.664	S	S	*	*			trans	-50.5	120.9	148	-64.8	176.9	-179.4	165.8	-0.3	103.7	R61 L65	R61-R63 PolarHBondContact O-N 3.44Å; R63-L65 WeakPolarHBondContact O-CG 3.33Å; R63-L65 PolarHBondContact O-N 2.97Å
64	F	45.1	Very low	54.3	Low	143 Å²	143	125.5 Å²	125.5	63%	0.627	64%	0.641	S	S	*	*			trans	-55.8	113.2	-178.8	-80.4	-110.9	0	0	0	107.8	K62 G66 R68	K62-F64 PolarHBondContact O-N 2.94Å; F64-G66 PolarHBondContact O-N 3.48Å; F64-R68 PolarHBondContact O-NE 3.08Å
65	L	48.9	Very low	56.4	Low	177 Å²	177	119.9 Å²	119.9	93%	0.927	62%	0.619	S	S	*	*			trans	-88.3	11.9	-173.7	-84	151.2	0	0	0	112.4	R63	R63-L65 WeakPolarHBondContact O-CG 3.33Å; R63-L65 PolarHBondContact O-N 2.97Å
66	G	52.4	Low	59	Low	47 Å²	47	116.6 Å²	116.6	49%	0.485	58%	0.584	S	S	.	*	S	Bend	trans	-77.3	170.7	162.1	0	0	0	0	0	111.7	F64 R68	F64-G66 PolarHBondContact O-N 3.48Å; G66-R68 PolarHBondContact O-N 3.05Å
67	P	53.2	Low	61.3	Low	107 Å²	107	106.8 Å²	106.8	70%	0.695	55%	0.546	S	S	*	.			trans	-69.2	86.4	-179.4	29.5	-35.7	0	0	0	111.5	E69 N70	P67-E69 PolarHBondContact O-N 3.4Å; P67-E69 VanDerWaalsContact O-N 3.11Å; P67-N70 CarbonylContact O-C 3.51Å; P67-N70 PolarHBondContact O-N 3.07Å; P67-N70 VanDerWaalsContact O-N 3.08Å
68	R	56.2	Low	63.8	Low	136 Å²	136	96 Å²	96	51%	0.513	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.8	-175.8	-80.7	176.7	149.1	-137	-18.3	115.4	F64 G66	F64-R68 PolarHBondContact O-NE 3.08Å; G66-R68 PolarHBondContact O-N 3.05Å
69	E	59.8	Low	66.1	Low	114 Å²	114	91.3 Å²	91.3	53%	0.533	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-18.3	-178.5	-39.5	-44.1	122.7	0	0	112.2	P67 K133 R147	P67-E69 PolarHBondContact O-N 3.4Å; P67-E69 VanDerWaalsContact O-N 3.11Å; E69-K133 PolarHBondContact O-NZ 3.03Å; E69-R147 IonicContact OE2-NH1 3.31Å; E69-R147 PolarHBondContact OE2-NH1 3.44Å
70	N	63.3	Low	68.4	Low	117 Å²	117	90 Å²	90	63%	0.626	45%	0.454	S	S	*	.			trans	-138.2	80.4	178.2	-74.1	-51.9	0	0	0	112	P67 K133	P67-N70 CarbonylContact O-C 3.51Å; P67-N70 PolarHBondContact O-N 3.07Å; P67-N70 VanDerWaalsContact O-N 3.08Å; N70-K133 PolarHBondContact OD1-NZ 2.87Å
71	P	71.5	Confident	70.6	Confident	25 Å²	25	88 Å²	88	16%	0.162	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-66.8	162.2	162.6	-6.4	23.6	0	0	0	110.4	F150 I152	P71-F150 HydrophobicContact CB-CB 4.12Å; P71-F150 HydrophobicContact CG-CB 4.3Å; P71-F150 WeakPolarHBondContact CG-O 3.34Å; P71-I152 HydrophobicContact CB-CG1 4.35Å
72	T	81.5	Confident	72.9	Confident	109 Å²	109	77.9 Å²	77.9	67%	0.669	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-57.1	138	171.2	41.6	0	0	0	0	110.9	S74 F150	T72-S74 PolarHBondContact O-N 3.47Å; T72-F150 WeakPolarHBondContact O-CB 3.37Å
73	P	85.3	Confident	75	Confident	79 Å²	79	69.8 Å²	69.8	51%	0.513	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.1	122.2	180	28.1	-34.7	0	0	0	110.1	V126 F150	P73-V126 HydrophobicContact CB-CG1 3.84Å; P73-F150 HydrophobicContact CB-CD2 4.31Å; P73-F150 HydrophobicContact CB-CE1 4.23Å; P73-F150 HydrophobicContact CB-CE2 3.87Å; P73-F150 HydrophobicContact CB-CZ 3.83Å
74	S	87.8	Confident	76.9	Confident	9 Å²	9	64.5 Å²	64.5	6%	0.063	35%	0.348	C	S	.	.			trans	-132.7	163.6	-176.9	70.6	0	0	0	0	110.4	T72 C76 A129 S151	T72-S74 PolarHBondContact O-N 3.47Å; S74-C76 PolarHBondContact O-N 2.95Å; S74-C76 PolarHBondContact OG-O 3.47Å; S74-A129 WeakPolarHBondContact O-CB 3.37Å; S74-S151 PolarHBondContact OG-O 3.24Å
75	R	90.5	Very high	78.9	Confident	94 Å²	94	64.9 Å²	64.9	36%	0.355	35%	0.351	S	S	.	.	S	Bend	trans	-69.6	-10.3	179.5	-64.2	-162	-57.9	99.5	-16	114.2	E102 F123 T124 V126	R75-E102 IonicContact CZ-OE1 2.98Å; R75-E102 IonicContact CZ-OE2 2.71Å; R75-E102 IonicContact NH1-OE1 3.1Å; R75-E102 PolarHBondContact NH1-OE1 3.22Å; R75-E102 IonicContact NH1-OE2 3.54Å; R75-E102 PolarHBondContact NH1-OE2 3.12Å; R75-E102 IonicContact NH2-OE1 2.78Å; R75-E102 IonicContact NH2-OE2 3.46Å; R75-E102 PolarHBondContact NH2-OE2 2.99Å; R75-F123 WeakPolarHBondContact CB-O 3.24Å; R75-F123 PolarHBondContact NH1-O 3.37Å; R75-F123 PolarHBondContact O-N 3.48Å; R75-T124 WeakPolarHBondContact CD-O 3.39Å; R75-V126 HydrophobicContact CG-CG2 3.52Å
76	C	90.8	Very high	80.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.7	-176.4	177.9	0	0	0	0	109.7	S74 V121 Y122 S151	S74-C76 PolarHBondContact O-N 2.95Å; S74-C76 PolarHBondContact OG-O 3.47Å; C76-V121 CarbonylContact C-O 3.59Å; C76-V121 WeakPolarHBondContact CA-O 3.32Å; C76-Y122 HydrophobicContact CB-CD1 3.79Å; C76-Y122 HydrophobicContact CB-CE1 3.57Å; C76-Y122 WeakPolarHBondContact SG-CE1 3.27Å; C76-Y122 PolarHBondContact SG-OH 3.25Å; C76-S151 WeakPolarHBondContact O-CB 3.29Å; C76-S151 PolarHBondContact O-N 2.9Å; C76-S151 WeakPolarHBondContact SG-CB 3.44Å
77	L	92.1	Very high	82.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.2	177.1	-168.3	72.8	0	0	0	109.6	V79 F95 F120 V121 F123 A132 K133 C148 F150	L77-V79 HydrophobicContact CD2-CG2 4.34Å; L77-V79 HydrophobicContact CG-CG2 4.38Å; L77-F95 HydrophobicContact CD2-CD1 4.13Å; L77-F95 HydrophobicContact CD2-CE1 3.61Å; L77-F95 HydrophobicContact CD2-CZ 4.27Å; L77-F120 WeakPolarHBondContact O-CA 3.42Å; L77-V121 PolarHBondContact N-O 3Å; L77-V121 PolarHBondContact O-N 3.13Å; L77-F123 HydrophobicContact CB-CE2 4.07Å; L77-F123 HydrophobicContact CD2-CE2 4.17Å; L77-A132 HydrophobicContact CD2-CB 3.85Å; L77-K133 HydrophobicContact CD1-CB 3.83Å; L77-K133 HydrophobicContact CD1-CG 4.14Å; L77-C148 HydrophobicContact CD1-CB 4.21Å; L77-C148 HydrophobicContact CD2-CB 4.19Å; L77-C148 HydrophobicContact CG-CB 4.32Å; L77-F150 HydrophobicContact CD1-CD1 4.46Å
78	G	92	Very high	84.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.8	170.9	0	0	0	0	0	110.7	F80 C148 D149	G78-F80 WeakPolarHBondContact O-CE2 3.29Å; G78-C148 WeakPolarHBondContact O-CA 3.45Å; G78-D149 PolarHBondContact N-O 3.19Å; G78-D149 PolarHBondContact O-N 3.23Å
79	V	92.5	Very high	86.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.5	-175.8	-172.3	0	0	0	0	109.1	L77 L82 F95 F118 G119 V121 I146	L77-V79 HydrophobicContact CD2-CG2 4.34Å; L77-V79 HydrophobicContact CG-CG2 4.38Å; V79-L82 HydrophobicContact CG1-CD1 4.44Å; V79-L82 HydrophobicContact CG1-CD2 3.8Å; V79-L82 HydrophobicContact CG1-CG 4.25Å; V79-F95 HydrophobicContact CG1-CE2 4.08Å; V79-F95 HydrophobicContact CG1-CZ 4.06Å; V79-F95 HydrophobicContact CG2-CE1 4.45Å; V79-F95 HydrophobicContact CG2-CE2 3.74Å; V79-F95 HydrophobicContact CG2-CZ 3.62Å; V79-F118 CarbonylContact O-C 3.56Å; V79-F118 WeakPolarHBondContact O-CA 3.49Å; V79-F118 WeakPolarHBondContact O-CB 3.39Å; V79-G119 PolarHBondContact N-O 2.91Å; V79-G119 PolarHBondContact O-N 3.23Å; V79-V121 HydrophobicContact CG2-CG2 4.11Å; V79-I146 HydrophobicContact CG1-CB 4.38Å; V79-I146 HydrophobicContact CG1-CD1 4Å
80	F	91.6	Very high	87.8	Confident	72 Å²	72	58.4 Å²	58.4	32%	0.316	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154	-174.3	-52.2	-86.9	0	0	0	112.2	G78 F118 I146 R147 D149	G78-F80 WeakPolarHBondContact O-CE2 3.29Å; F80-F118 HydrophobicContact CB-CB 4.22Å; F80-F118 HydrophobicContact CD1-CB 3.51Å; F80-F118 AromaticContact CD1-CD2 3.83Å; F80-F118 HydrophobicContact CD1-CD2 3.83Å; F80-F118 AromaticContact CD1-CG 3.79Å; F80-F118 HydrophobicContact CD1-CG 3.79Å; F80-F118 HydrophobicContact CE1-CB 4.2Å; F80-F118 AromaticContact CE1-CD2 3.62Å; F80-F118 HydrophobicContact CE1-CD2 3.62Å; F80-F118 HydrophobicContact CE1-CE2 4.31Å; F80-F118 HydrophobicContact CE1-CG 4.07Å; F80-F118 HydrophobicContact CG-CB 4.14Å; F80-I146 CarbonylContact O-C 3.55Å; F80-I146 VanDerWaalsContact O-CA 3.29Å; F80-I146 WeakPolarHBondContact O-CA 3.42Å; F80-R147 HydrophobicContact CB-CB 4.41Å; F80-R147 PolarHBondContact N-O 2.86Å; F80-R147 PolarHBondContact O-N 2.78Å; F80-D149 HydrophobicContact CE2-CB 4.3Å
81	G	89.9	Confident	89.2	Confident	25 Å²	25	52.9 Å²	52.9	26%	0.258	26%	0.264	S	S	.	.	S	Bend	trans	99.4	-10.5	176.1	0	0	0	0	0	114.6	G117 R144	G81-G117 CarbonylContact C-O 3.35Å; G81-G117 PolarHBondContact N-O 2.93Å; G81-R144 PolarHBondContact O-NH1 3.19Å; G81-R144 PolarHBondContact O-NH2 3.12Å
82	L	91.9	Very high	90.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.			trans	-46.1	151.6	179.9	-56.1	179.7	0	0	0	113.7	V79 L91 L106 G117 I141 R144 I146	V79-L82 HydrophobicContact CG1-CD1 4.44Å; V79-L82 HydrophobicContact CG1-CD2 3.8Å; V79-L82 HydrophobicContact CG1-CG 4.25Å; L82-L91 HydrophobicContact CD1-CD1 3.81Å; L82-L91 HydrophobicContact CD1-CD2 3.84Å; L82-L91 HydrophobicContact CD1-CG 4.35Å; L82-L91 HydrophobicContact CD2-CD2 3.75Å; L82-L91 HydrophobicContact CG-CD2 4.46Å; L82-L106 HydrophobicContact CD1-CD2 3.66Å; L82-G117 PolarHBondContact N-O 2.83Å; L82-G117 VanDerWaalsContact N-O 3.09Å; L82-G117 WeakPolarHBondContact O-CA 3.41Å; L82-I141 HydrophobicContact CD2-CD1 4.2Å; L82-R144 PolarHBondContact O-NH1 3.3Å; L82-I146 HydrophobicContact CD2-CG2 3.91Å
83	S	90.3	Very high	90.8	Very high	17 Å²	17	57 Å²	57	12%	0.119	27%	0.274	C	S	.	.			trans	-67.9	163.1	176.1	-162.9	0	0	0	0	112.3	H85 T86 S115 D142	S83-H85 PolarHBondContact O-N 3.33Å; S83-T86 WeakPolarHBondContact CA-OG1 3.33Å; S83-T86 WeakPolarHBondContact CB-OG1 3.48Å; S83-T86 PolarHBondContact N-OG1 3.25Å; S83-S115 PolarHBondContact O-OG 2.81Å; S83-D142 WeakPolarHBondContact CB-OD2 3.11Å
84	L	87.9	Confident	91.2	Very high	81 Å²	81	55.4 Å²	55.4	42%	0.424	26%	0.26	S	S	.	.	S	Bend	trans	-72.2	-6.2	170.5	-58.9	179.6	0	0	0	112.3	S115	L84-S115 WeakPolarHBondContact CA-OG 3.37Å; L84-S115 VanDerWaalsContact CD2-O 3.24Å; L84-S115 WeakPolarHBondContact CD2-O 3.28Å
85	H	88.2	Confident	91.4	Very high	152 Å²	152	55 Å²	55	70%	0.704	26%	0.257	S	S	*	.	S	Bend	trans	-112.4	-14.6	-177.6	-57.3	-77.6	0	0	0	113.5	S83 Q87	S83-H85 PolarHBondContact O-N 3.33Å; H85-Q87 PolarHBondContact O-N 2.89Å
86	T	88.4	Confident	91.5	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.031	26%	0.256	C	S	.	.			trans	-63.9	132.3	177.1	-37.7	0	0	0	0	109.7	S83 N90 L91 L106 I141 D142	S83-T86 WeakPolarHBondContact CA-OG1 3.33Å; S83-T86 WeakPolarHBondContact CB-OG1 3.48Å; S83-T86 PolarHBondContact N-OG1 3.25Å; T86-N90 HydrophobicContact CG2-CB 3.96Å; T86-L91 HydrophobicContact CG2-CD2 4.17Å; T86-L91 HydrophobicContact CG2-CG 4.47Å; T86-L106 VanDerWaalsContact O-CD1 3.26Å; T86-L106 WeakPolarHBondContact O-CD1 3.33Å; T86-I141 HydrophobicContact CG2-CG2 4.02Å; T86-D142 PolarHBondContact OG1-OD2 3.09Å
87	Q	90.7	Very high	91.7	Very high	114 Å²	114	59 Å²	59	53%	0.533	29%	0.285	S	S	.	.			trans	-107.5	167.4	178.2	-56.3	-175.2	18.2	0	0	111.5	H85 R89 N90 L91	H85-Q87 PolarHBondContact O-N 2.89Å; Q87-R89 PolarHBondContact O-N 3.28Å; Q87-N90 PolarHBondContact O-N 3.14Å; Q87-L91 PolarHBondContact O-N 3.48Å
88	E	92.4	Very high	91.7	Very high	80 Å²	80	61 Å²	61	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-34.5	177.2	-71.4	157	164.4	0	0	111.8	L91 Y92 V104 L106	E88-L91 PolarHBondContact O-N 2.86Å; E88-Y92 PolarHBondContact O-N 2.95Å; E88-V104 HydrophobicContact CB-CB 4.47Å; E88-V104 HydrophobicContact CB-CG1 4.03Å; E88-V104 HydrophobicContact CG-CG1 4.15Å; E88-L106 HydrophobicContact CG-CB 3.79Å; E88-L106 HydrophobicContact CG-CD1 3.89Å; E88-L106 HydrophobicContact CG-CG 3.63Å; E88-L106 PolarHBondContact OE1-N 2.98Å
89	R	93	Very high	91.7	Very high	190 Å²	190	61.8 Å²	61.8	72%	0.717	30%	0.301	S	S	*	.	H	α-helix	trans	-57.6	-53.2	172.6	-62.7	-178.3	-177.6	-171.1	-0.7	111.9	Q87 L91 Y92 D93	Q87-R89 PolarHBondContact O-N 3.28Å; R89-L91 PolarHBondContact O-N 2.83Å; R89-L91 VanDerWaalsContact O-N 3.14Å; R89-Y92 WeakPolarHBondContact O-CA 3.35Å; R89-Y92 WeakPolarHBondContact O-CB 3.39Å; R89-Y92 PolarHBondContact O-N 3.37Å; R89-D93 PolarHBondContact O-N 3.25Å
90	N	92.2	Very high	91.8	Very high	56 Å²	56	67 Å²	67	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-55.8	-35.9	178.3	-52.3	35.7	0	0	0	112	T86 Q87 I94	T86-N90 HydrophobicContact CG2-CB 3.96Å; Q87-N90 PolarHBondContact O-N 3.14Å; N90-I94 VanDerWaalsContact O-CB 3.27Å; N90-I94 WeakPolarHBondContact O-CB 3.49Å; N90-I94 VanDerWaalsContact O-CD1 3.32Å; N90-I94 WeakPolarHBondContact O-CD1 3.43Å; N90-I94 WeakPolarHBondContact O-CG1 3.35Å; N90-I94 PolarHBondContact O-N 3.36Å
91	L	92.5	Very high	91.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.6	-44.2	174.3	-62.5	-177.9	0	0	0	111.7	L82 T86 Q87 E88 R89 D93 I94 F95 V104 L106 I141	L82-L91 HydrophobicContact CD1-CD1 3.81Å; L82-L91 HydrophobicContact CD1-CD2 3.84Å; L82-L91 HydrophobicContact CD1-CG 4.35Å; L82-L91 HydrophobicContact CD2-CD2 3.75Å; L82-L91 HydrophobicContact CG-CD2 4.46Å; T86-L91 HydrophobicContact CG2-CD2 4.17Å; T86-L91 HydrophobicContact CG2-CG 4.47Å; Q87-L91 PolarHBondContact O-N 3.48Å; E88-L91 PolarHBondContact O-N 2.86Å; R89-L91 PolarHBondContact O-N 2.83Å; R89-L91 VanDerWaalsContact O-N 3.14Å; L91-D93 PolarHBondContact O-N 3.28Å; L91-I94 PolarHBondContact O-N 2.79Å; L91-F95 HydrophobicContact CB-CD2 4.36Å; L91-F95 HydrophobicContact CD2-CE2 4.23Å; L91-F95 WeakPolarHBondContact O-CB 3.32Å; L91-F95 VanDerWaalsContact O-CD2 3.3Å; L91-F95 WeakPolarHBondContact O-CD2 3.39Å; L91-F95 PolarHBondContact O-N 2.9Å; L91-V104 HydrophobicContact CB-CG1 3.87Å; L91-V104 HydrophobicContact CD1-CG1 3.97Å; L91-L106 HydrophobicContact CD1-CD2 3.72Å; L91-L106 HydrophobicContact CD1-CG 4.13Å; L91-I141 HydrophobicContact CD2-CD1 4.45Å
92	Y	94.4	Very high	92.1	Very high	115 Å²	115	68.5 Å²	68.5	45%	0.451	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-48.7	176.6	-173.7	-84.8	0	0	0	111.5	E88 R89 I94 F95 S96 I101 V104	E88-Y92 PolarHBondContact O-N 2.95Å; R89-Y92 WeakPolarHBondContact O-CA 3.35Å; R89-Y92 WeakPolarHBondContact O-CB 3.39Å; R89-Y92 PolarHBondContact O-N 3.37Å; Y92-I94 VanDerWaalsContact C-N 3.3Å; Y92-I94 PolarHBondContact O-N 3.36Å; Y92-F95 PolarHBondContact O-N 2.9Å; Y92-S96 WeakPolarHBondContact O-CB 3.3Å; Y92-S96 PolarHBondContact O-N 3.12Å; Y92-S96 PolarHBondContact O-OG 2.88Å; Y92-I101 HydrophobicContact CD2-CB 4.17Å; Y92-I101 HydrophobicContact CD2-CD1 3.92Å; Y92-I101 HydrophobicContact CD2-CG2 3.99Å; Y92-I101 HydrophobicContact CE2-CB 3.9Å; Y92-I101 HydrophobicContact CE2-CD1 4.29Å; Y92-I101 HydrophobicContact CE2-CG2 4.06Å; Y92-I101 HydrophobicContact CG-CD1 4.31Å; Y92-V104 HydrophobicContact CD2-CG2 4.1Å
93	D	93.4	Very high	92.1	Very high	107 Å²	107	71.9 Å²	71.9	57%	0.572	35%	0.349	S	S	*	.	H	α-helix	trans	-62	-37.7	179.5	-56.4	-30.8	0	0	0	111.5	R89 L91 S96	R89-D93 PolarHBondContact O-N 3.25Å; L91-D93 PolarHBondContact O-N 3.28Å; D93-S96 PolarHBondContact O-OG 2.86Å
94	I	92	Very high	92.2	Very high	44 Å²	44	71.9 Å²	71.9	23%	0.226	35%	0.348	C	S	.	.	H	α-helix	trans	-78.7	-34.2	-179.8	-74.1	172.6	0	0	0	112.9	N90 L91 Y92 Q97 M139 I141	N90-I94 VanDerWaalsContact O-CB 3.27Å; N90-I94 WeakPolarHBondContact O-CB 3.49Å; N90-I94 VanDerWaalsContact O-CD1 3.32Å; N90-I94 WeakPolarHBondContact O-CD1 3.43Å; N90-I94 WeakPolarHBondContact O-CG1 3.35Å; N90-I94 PolarHBondContact O-N 3.36Å; L91-I94 PolarHBondContact O-N 2.79Å; Y92-I94 VanDerWaalsContact C-N 3.3Å; Y92-I94 PolarHBondContact O-N 3.36Å; I94-Q97 WeakPolarHBondContact O-CG 3.46Å; I94-Q97 PolarHBondContact O-NE2 3.37Å; I94-M139 HydrophobicContact CG2-CE 3.37Å; I94-I141 HydrophobicContact CD1-CD1 3.67Å; I94-I141 HydrophobicContact CD1-CG1 4.04Å; I94-I141 HydrophobicContact CG2-CD1 4.32Å
95	F	93.3	Very high	92.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-93.9	-20.6	-175.8	-78.4	-74.3	0	0	0	114	L77 V79 L91 Y92 Q97 Y98 I101 V121 F123 A132 A136 I146	L77-F95 HydrophobicContact CD2-CD1 4.13Å; L77-F95 HydrophobicContact CD2-CE1 3.61Å; L77-F95 HydrophobicContact CD2-CZ 4.27Å; V79-F95 HydrophobicContact CG1-CE2 4.08Å; V79-F95 HydrophobicContact CG1-CZ 4.06Å; V79-F95 HydrophobicContact CG2-CE1 4.45Å; V79-F95 HydrophobicContact CG2-CE2 3.74Å; V79-F95 HydrophobicContact CG2-CZ 3.62Å; L91-F95 HydrophobicContact CB-CD2 4.36Å; L91-F95 HydrophobicContact CD2-CE2 4.23Å; L91-F95 WeakPolarHBondContact O-CB 3.32Å; L91-F95 VanDerWaalsContact O-CD2 3.3Å; L91-F95 WeakPolarHBondContact O-CD2 3.39Å; L91-F95 PolarHBondContact O-N 2.9Å; Y92-F95 PolarHBondContact O-N 2.9Å; F95-Q97 PolarHBondContact O-N 3.2Å; F95-Y98 AromaticContact CD1-CD2 3.97Å; F95-Y98 HydrophobicContact CD1-CD2 3.97Å; F95-Y98 HydrophobicContact CD1-CE2 4.15Å; F95-Y98 HydrophobicContact CE1-CE2 4.49Å; F95-Y98 PolarHBondContact O-N 2.87Å; F95-Y98 VanDerWaalsContact O-N 3.12Å; F95-I101 HydrophobicContact CB-CD1 3.83Å; F95-V121 HydrophobicContact CB-CG1 4.17Å; F95-V121 HydrophobicContact CD2-CG2 3.9Å; F95-V121 HydrophobicContact CE2-CG2 4.36Å; F95-V121 HydrophobicContact CG-CG1 4.48Å; F95-V121 HydrophobicContact CG-CG2 4.26Å; F95-F123 HydrophobicContact CB-CZ 4.06Å; F95-F123 HydrophobicContact CD1-CZ 4.09Å; F95-F123 HydrophobicContact CG-CZ 4.45Å; F95-A132 HydrophobicContact CD1-CB 4Å; F95-A132 HydrophobicContact CE1-CB 4.26Å; F95-A136 HydrophobicContact CE1-CB 3.61Å; F95-A136 HydrophobicContact CZ-CB 3.97Å; F95-I146 HydrophobicContact CZ-CD1 4.26Å
96	S	93.2	Very high	92.4	Very high	49 Å²	49	63.6 Å²	63.6	34%	0.343	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20.3	178.6	53	0	0	0	0	113.8	Y92 D93 Y98 G99	Y92-S96 WeakPolarHBondContact O-CB 3.3Å; Y92-S96 PolarHBondContact O-N 3.12Å; Y92-S96 PolarHBondContact O-OG 2.88Å; D93-S96 PolarHBondContact O-OG 2.86Å; S96-Y98 PolarHBondContact O-N 2.87Å; S96-G99 PolarHBondContact O-N 2.81Å
97	Q	93.4	Very high	92.4	Very high	132 Å²	132	64.5 Å²	64.5	62%	0.617	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-64.7	-21	172.3	75.3	-173.6	-49.1	0	0	113.8	I94 F95	I94-Q97 WeakPolarHBondContact O-CG 3.46Å; I94-Q97 PolarHBondContact O-NE2 3.37Å; F95-Q97 PolarHBondContact O-N 3.2Å
98	Y	93.1	Very high	92.2	Very high	42 Å²	42	63 Å²	63	17%	0.165	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-94.8	-11.1	-179.1	-56.8	-68.7	0	0	0	113.8	F95 S96 A132 D135 A136	F95-Y98 AromaticContact CD1-CD2 3.97Å; F95-Y98 HydrophobicContact CD1-CD2 3.97Å; F95-Y98 HydrophobicContact CD1-CE2 4.15Å; F95-Y98 HydrophobicContact CE1-CE2 4.49Å; F95-Y98 PolarHBondContact O-N 2.87Å; F95-Y98 VanDerWaalsContact O-N 3.12Å; S96-Y98 PolarHBondContact O-N 2.87Å; Y98-A132 HydrophobicContact CD2-CB 3.78Å; Y98-A132 HydrophobicContact CG-CB 3.87Å; Y98-D135 HydrophobicContact CE1-CB 3.54Å; Y98-A136 HydrophobicContact CE2-CB 4.12Å
99	G	92.4	Very high	91.8	Very high	17 Å²	17	60.9 Å²	60.9	18%	0.175	30%	0.296	C	S	.	.	S	Bend	trans	147.3	-173.3	-177.9	0	0	0	0	0	114	S96 D128	S96-G99 PolarHBondContact O-N 2.81Å; G99-D128 WeakPolarHBondContact CA-OD2 3.49Å
100	N	94.1	Very high	91.1	Very high	110 Å²	110	58 Å²	58	59%	0.588	30%	0.295	S	S	*	.			trans	-82.1	128.1	-167.8	-71.2	-34	0	0	0	112	F123 T124 D128	N100-F123 CarbonylContact O-C 3.55Å; N100-F123 VanDerWaalsContact O-CA 3.28Å; N100-F123 WeakPolarHBondContact O-CA 3.36Å; N100-T124 HydrophobicContact CB-CG2 3.88Å; N100-T124 WeakPolarHBondContact CB-OG1 3.17Å; N100-T124 PolarHBondContact O-N 3.44Å; N100-D128 PolarHBondContact N-OD2 3.1Å; N100-D128 VanDerWaalsContact N-OD2 3.13Å
101	I	93.7	Very high	90.4	Very high	24 Å²	24	62.7 Å²	62.7	12%	0.123	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.6	179.8	-62	175.4	0	0	0	109.9	Y92 F95 V104 V121 Y122 F123	Y92-I101 HydrophobicContact CD2-CB 4.17Å; Y92-I101 HydrophobicContact CD2-CD1 3.92Å; Y92-I101 HydrophobicContact CD2-CG2 3.99Å; Y92-I101 HydrophobicContact CE2-CB 3.9Å; Y92-I101 HydrophobicContact CE2-CD1 4.29Å; Y92-I101 HydrophobicContact CE2-CG2 4.06Å; Y92-I101 HydrophobicContact CG-CD1 4.31Å; F95-I101 HydrophobicContact CB-CD1 3.83Å; I101-V104 HydrophobicContact CG2-CG2 3.66Å; I101-V121 HydrophobicContact CD1-CG1 4.06Å; I101-V121 HydrophobicContact CG1-CG1 4.09Å; I101-V121 HydrophobicContact CG2-CG1 4.21Å; I101-Y122 CarbonylContact C-O 3.52Å; I101-Y122 WeakPolarHBondContact CA-O 3.16Å; I101-F123 HydrophobicContact CG1-CD1 4.32Å; I101-F123 HydrophobicContact CG1-CE1 4.14Å
102	E	93	Very high	90	Very high	104 Å²	104	65.3 Å²	65.3	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-44.1	169.3	-68.4	-179	177.3	0	0	112	R75 Y122 T124	R75-E102 IonicContact CZ-OE1 2.98Å; R75-E102 IonicContact CZ-OE2 2.71Å; R75-E102 IonicContact NH1-OE1 3.1Å; R75-E102 PolarHBondContact NH1-OE1 3.22Å; R75-E102 IonicContact NH1-OE2 3.54Å; R75-E102 PolarHBondContact NH1-OE2 3.12Å; R75-E102 IonicContact NH2-OE1 2.78Å; R75-E102 IonicContact NH2-OE2 3.46Å; R75-E102 PolarHBondContact NH2-OE2 2.99Å; E102-Y122 PolarHBondContact N-O 2.97Å; E102-T124 HydrophobicContact CG-CG2 3.74Å
103	D	92.1	Very high	89.4	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	155.5	-173.8	-171.2	19.9	0	0	0	112.1	Q105 Y122	D103-Q105 VanDerWaalsContact OD2-CG 3.29Å; D103-Q105 WeakPolarHBondContact OD2-CG 3.17Å; D103-Q105 PolarHBondContact OD2-NE2 2.81Å; D103-Y122 HydrophobicContact CB-CD2 4.2Å; D103-Y122 PolarHBondContact N-O 3.48Å; D103-Y122 PolarHBondContact O-N 3.11Å
104	V	92.8	Very high	89	Confident	17 Å²	17	64.8 Å²	64.8	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.4	176.4	-176.3	0	0	0	0	109.7	E88 L91 Y92 I101 V121	E88-V104 HydrophobicContact CB-CB 4.47Å; E88-V104 HydrophobicContact CB-CG1 4.03Å; E88-V104 HydrophobicContact CG-CG1 4.15Å; L91-V104 HydrophobicContact CB-CG1 3.87Å; L91-V104 HydrophobicContact CD1-CG1 3.97Å; Y92-V104 HydrophobicContact CD2-CG2 4.1Å; I101-V104 HydrophobicContact CG2-CG2 3.66Å; V104-V121 HydrophobicContact CG1-CG2 4.45Å; V104-V121 HydrophobicContact CG2-CG1 4.5Å
105	Q	90.6	Very high	88.8	Confident	45 Å²	45	63 Å²	63	21%	0.21	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	107	-174.5	-60.5	-178.7	-8.1	0	0	110.8	D103 G119 F120 Y122	D103-Q105 VanDerWaalsContact OD2-CG 3.29Å; D103-Q105 WeakPolarHBondContact OD2-CG 3.17Å; D103-Q105 PolarHBondContact OD2-NE2 2.81Å; Q105-G119 CarbonylContact O-C 3.48Å; Q105-G119 WeakPolarHBondContact O-CA 3.39Å; Q105-F120 PolarHBondContact N-O 2.32Å; Q105-F120 PolarHBondContact O-N 3Å; Q105-Y122 HydrophobicContact CG-CE2 4.19Å
106	L	90.8	Very high	88.4	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.073	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	139.5	169.2	-85	-177.7	0	0	0	111.2	L82 T86 E88 L91 F108	L82-L106 HydrophobicContact CD1-CD2 3.66Å; T86-L106 VanDerWaalsContact O-CD1 3.26Å; T86-L106 WeakPolarHBondContact O-CD1 3.33Å; E88-L106 HydrophobicContact CG-CB 3.79Å; E88-L106 HydrophobicContact CG-CD1 3.89Å; E88-L106 HydrophobicContact CG-CG 3.63Å; E88-L106 PolarHBondContact OE1-N 2.98Å; L91-L106 HydrophobicContact CD1-CD2 3.72Å; L91-L106 HydrophobicContact CD1-CG 4.13Å; L106-F108 HydrophobicContact CB-CD2 4.29Å; L106-F108 HydrophobicContact CB-CE2 3.48Å; L106-F108 VanDerWaalsContact CB-CE2 3.48Å; L106-F108 HydrophobicContact CB-CZ 3.73Å; L106-F108 HydrophobicContact CD1-CZ 4.07Å; L106-F108 VanDerWaalsContact O-CD2 3.24Å; L106-F108 WeakPolarHBondContact O-CD2 3.45Å; L106-F108 WeakPolarHBondContact O-CE2 3.33Å
107	V	88	Confident	88.2	Confident	24 Å²	24	64.2 Å²	64.2	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.2	179.4	-163.4	0	0	0	0	111.2	R116 F118 F120 Y164	V107-R116 WeakPolarHBondContact O-CB 3.14Å; V107-R116 PolarHBondContact O-N 3.1Å; V107-F118 HydrophobicContact CB-CE1 3.88Å; V107-F118 HydrophobicContact CB-CE2 4.1Å; V107-F118 HydrophobicContact CB-CZ 3.6Å; V107-F118 HydrophobicContact CG1-CE1 4.38Å; V107-F118 HydrophobicContact CG1-CZ 3.97Å; V107-F118 HydrophobicContact CG2-CD2 4.29Å; V107-F118 HydrophobicContact CG2-CE1 4.32Å; V107-F118 HydrophobicContact CG2-CE2 3.62Å; V107-F118 HydrophobicContact CG2-CZ 3.63Å; V107-F118 PolarHBondContact N-O 3.18Å; V107-F120 HydrophobicContact CG2-CD2 4.17Å; V107-F120 HydrophobicContact CG2-CE2 3.91Å; V107-Y164 HydrophobicContact CB-CE1 4.15Å; V107-Y164 HydrophobicContact CG1-CD1 3.75Å; V107-Y164 HydrophobicContact CG1-CE1 3.37Å
108	F	86.7	Confident	88.1	Confident	83 Å²	83	58.9 Å²	58.9	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	164.3	179.8	-61	-91.8	0	0	0	112.9	L106 R114	L106-F108 HydrophobicContact CB-CD2 4.29Å; L106-F108 HydrophobicContact CB-CE2 3.48Å; L106-F108 VanDerWaalsContact CB-CE2 3.48Å; L106-F108 HydrophobicContact CB-CZ 3.73Å; L106-F108 HydrophobicContact CD1-CZ 4.07Å; L106-F108 VanDerWaalsContact O-CD2 3.24Å; L106-F108 WeakPolarHBondContact O-CD2 3.45Å; L106-F108 WeakPolarHBondContact O-CE2 3.33Å; F108-R114 CarbonylContact C-O 3.53Å; F108-R114 WeakPolarHBondContact CA-O 3.39Å
109	D	82.8	Confident	88	Confident	35 Å²	35	56.9 Å²	56.9	19%	0.187	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	106.7	167.3	169.4	30.5	0	0	0	109.9	Y111 T112 G113 R114 R116	D109-Y111 PolarHBondContact O-N 2.79Å; D109-Y111 PolarHBondContact OD1-N 2.76Å; D109-T112 PolarHBondContact O-N 3.48Å; D109-T112 WeakPolarHBondContact OD2-CB 3.24Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.5Å; D109-T112 PolarHBondContact OD2-OG1 3.28Å; D109-G113 PolarHBondContact O-N 3.48Å; D109-R114 PolarHBondContact N-O 3.22Å; D109-R116 HydrophobicContact CB-CG 4.08Å
110	N	78	Confident	88.1	Confident	128 Å²	128	56.8 Å²	56.8	68%	0.684	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-21.8	-177.8	-55.1	24.1	0	0	0	113.7
111	Y	78.9	Confident	88	Confident	156 Å²	156	51.6 Å²	51.6	61%	0.612	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.4	178.7	-73.4	-79.2	0	0	0	115.1	D109 I163	D109-Y111 PolarHBondContact O-N 2.79Å; D109-Y111 PolarHBondContact OD1-N 2.76Å; Y111-I163 HydrophobicContact CE2-CB 4.27Å; Y111-I163 HydrophobicContact CE2-CD1 4.32Å; Y111-I163 HydrophobicContact CE2-CG1 3.94Å; Y111-I163 HydrophobicContact CE2-CG2 3.9Å; Y111-I163 WeakPolarHBondContact OH-CD1 3.4Å; Y111-I163 WeakPolarHBondContact OH-CG1 3.49Å
112	T	83.3	Confident	88	Confident	55 Å²	55	50.9 Å²	50.9	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-7.3	-176.7	64.5	0	0	0	0	114.7	D109 R114	D109-T112 PolarHBondContact O-N 3.48Å; D109-T112 WeakPolarHBondContact OD2-CB 3.24Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.5Å; D109-T112 PolarHBondContact OD2-OG1 3.28Å; T112-R114 PolarHBondContact O-N 3.2Å
113	G	82.2	Confident	88	Confident	61 Å²	61	46 Å²	46	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	8.1	-177.3	0	0	0	0	0	114.1	D109	D109-G113 PolarHBondContact O-N 3.48Å
114	R	83.9	Confident	88.1	Confident	149 Å²	149	44.7 Å²	44.7	56%	0.562	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.6	-176.8	-63.4	176.8	-177.7	-150.8	-5.7	110.3	F108 D109 T112	F108-R114 CarbonylContact C-O 3.53Å; F108-R114 WeakPolarHBondContact CA-O 3.39Å; D109-R114 PolarHBondContact N-O 3.22Å; T112-R114 PolarHBondContact O-N 3.2Å
115	S	88	Confident	88.1	Confident	7 Å²	7	48.7 Å²	48.7	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	148.7	170.4	70.6	0	0	0	0	110.1	S83 L84 G117	S83-S115 PolarHBondContact O-OG 2.81Å; L84-S115 WeakPolarHBondContact CA-OG 3.37Å; L84-S115 VanDerWaalsContact CD2-O 3.24Å; L84-S115 WeakPolarHBondContact CD2-O 3.28Å; S115-G117 VanDerWaalsContact C-N 3.26Å
116	R	86.2	Confident	88.1	Confident	65 Å²	65	49.4 Å²	49.4	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	13.4	176	-78.3	171	56.3	179.2	98.8	113	V107 D109 F118 Y164	V107-R116 WeakPolarHBondContact O-CB 3.14Å; V107-R116 PolarHBondContact O-N 3.1Å; D109-R116 HydrophobicContact CB-CG 4.08Å; R116-F118 HydrophobicContact CB-CD1 4.14Å; R116-F118 HydrophobicContact CB-CE1 3.81Å; R116-Y164 HydrophobicContact CB-CE1 4.06Å; R116-Y164 HydrophobicContact CG-CE1 4.15Å; R116-Y164 PolarHBondContact NE-OH 2.93Å; R116-Y164 PolarHBondContact NH1-OH 3.25Å; R116-Y164 PolarHBondContact NH2-O 3.15Å
117	G	88.7	Confident	88.2	Confident	10 Å²	10	52 Å²	52	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	29.4	177.3	0	0	0	0	0	114.5	G81 L82 S115	G81-G117 CarbonylContact C-O 3.35Å; G81-G117 PolarHBondContact N-O 2.93Å; L82-G117 PolarHBondContact N-O 2.83Å; L82-G117 VanDerWaalsContact N-O 3.09Å; L82-G117 WeakPolarHBondContact O-CA 3.41Å; S115-G117 VanDerWaalsContact C-N 3.26Å
118	F	90.9	Very high	88.5	Confident	19 Å²	19	52.1 Å²	52.1	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.8	169.5	76.6	-69.9	0	0	0	111.1	V79 F80 V107 R116 F120 Y164	V79-F118 CarbonylContact O-C 3.56Å; V79-F118 WeakPolarHBondContact O-CA 3.49Å; V79-F118 WeakPolarHBondContact O-CB 3.39Å; F80-F118 HydrophobicContact CB-CB 4.22Å; F80-F118 HydrophobicContact CD1-CB 3.51Å; F80-F118 AromaticContact CD1-CD2 3.83Å; F80-F118 HydrophobicContact CD1-CD2 3.83Å; F80-F118 AromaticContact CD1-CG 3.79Å; F80-F118 HydrophobicContact CD1-CG 3.79Å; F80-F118 HydrophobicContact CE1-CB 4.2Å; F80-F118 AromaticContact CE1-CD2 3.62Å; F80-F118 HydrophobicContact CE1-CD2 3.62Å; F80-F118 HydrophobicContact CE1-CE2 4.31Å; F80-F118 HydrophobicContact CE1-CG 4.07Å; F80-F118 HydrophobicContact CG-CB 4.14Å; V107-F118 HydrophobicContact CB-CE1 3.88Å; V107-F118 HydrophobicContact CB-CE2 4.1Å; V107-F118 HydrophobicContact CB-CZ 3.6Å; V107-F118 HydrophobicContact CG1-CE1 4.38Å; V107-F118 HydrophobicContact CG1-CZ 3.97Å; V107-F118 HydrophobicContact CG2-CD2 4.29Å; V107-F118 HydrophobicContact CG2-CE1 4.32Å; V107-F118 HydrophobicContact CG2-CE2 3.62Å; V107-F118 HydrophobicContact CG2-CZ 3.63Å; V107-F118 PolarHBondContact N-O 3.18Å; R116-F118 HydrophobicContact CB-CD1 4.14Å; R116-F118 HydrophobicContact CB-CE1 3.81Å; F118-F120 HydrophobicContact CD2-CE2 4.28Å; F118-F120 HydrophobicContact CD2-CZ 4.25Å; F118-F120 AromaticContact CE2-CE2 3.78Å; F118-F120 HydrophobicContact CE2-CE2 3.78Å; F118-F120 AromaticContact CE2-CZ 3.86Å; F118-F120 HydrophobicContact CE2-CZ 3.86Å; F118-Y164 AromaticContact CE1-CE1 3.38Å; F118-Y164 HydrophobicContact CE1-CE1 3.38Å; F118-Y164 AromaticContact CE1-CZ 3.47Å; F118-Y164 VanDerWaalsContact CE1-CZ 3.47Å; F118-Y164 WeakPolarHBondContact CE1-OH 3.47Å; F118-Y164 AromaticContact CZ-CE1 3.37Å; F118-Y164 HydrophobicContact CZ-CE1 3.37Å; F118-Y164 AromaticContact CZ-CZ 3.58Å; F118-Y164 WeakPolarHBondContact CZ-OH 3.33Å
119	G	91.9	Very high	88.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-170.9	173.9	0	0	0	0	0	111.9	V79 Q105	V79-G119 PolarHBondContact N-O 2.91Å; V79-G119 PolarHBondContact O-N 3.23Å; Q105-G119 CarbonylContact O-C 3.48Å; Q105-G119 WeakPolarHBondContact O-CA 3.39Å
120	F	92.9	Very high	89.2	Confident	16 Å²	16	53.1 Å²	53.1	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	178.5	-59.7	-78.9	0	0	0	110.3	L77 Q105 V107 F118 Y122 H157	L77-F120 WeakPolarHBondContact O-CA 3.42Å; Q105-F120 PolarHBondContact N-O 2.32Å; Q105-F120 PolarHBondContact O-N 3Å; V107-F120 HydrophobicContact CG2-CD2 4.17Å; V107-F120 HydrophobicContact CG2-CE2 3.91Å; F118-F120 HydrophobicContact CD2-CE2 4.28Å; F118-F120 HydrophobicContact CD2-CZ 4.25Å; F118-F120 AromaticContact CE2-CE2 3.78Å; F118-F120 HydrophobicContact CE2-CE2 3.78Å; F118-F120 AromaticContact CE2-CZ 3.86Å; F118-F120 HydrophobicContact CE2-CZ 3.86Å; F120-Y122 HydrophobicContact CB-CD2 4.48Å; F120-Y122 HydrophobicContact CB-CE2 3.66Å; F120-H157 AromaticContact CD1-CD2 3.63Å; F120-H157 AromaticContact CD1-NE2 3.72Å; F120-H157 HydrophobicContact CD2-CB 4.08Å; F120-H157 AromaticContact CD2-CD2 3.49Å; F120-H157 VanDerWaalsContact CD2-CD2 3.49Å; F120-H157 WeakPolarHBondContact CD2-CD2 3.33Å; F120-H157 AromaticContact CD2-CG 4Å; F120-H157 AromaticContact CE1-CD2 3.53Å; F120-H157 AromaticContact CE1-NE2 3.24Å; F120-H157 WeakPolarHBondContact CE1-NE2 3.4Å; F120-H157 HydrophobicContact CE2-CB 4.08Å; F120-H157 AromaticContact CE2-CD2 3.37Å; F120-H157 WeakPolarHBondContact CE2-CD2 3.46Å; F120-H157 AromaticContact CE2-CG 3.72Å; F120-H157 AromaticContact CG-CD2 3.62Å; F120-H157 AromaticContact CZ-CD2 3.39Å; F120-H157 WeakPolarHBondContact CZ-CD2 3.24Å; F120-H157 AromaticContact CZ-NE2 3.59Å
121	V	93.3	Very high	89.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.4	174.1	-178.7	0	0	0	0	107.7	C76 L77 V79 F95 I101 V104 F123	C76-V121 CarbonylContact C-O 3.59Å; C76-V121 WeakPolarHBondContact CA-O 3.32Å; L77-V121 PolarHBondContact N-O 3Å; L77-V121 PolarHBondContact O-N 3.13Å; V79-V121 HydrophobicContact CG2-CG2 4.11Å; F95-V121 HydrophobicContact CB-CG1 4.17Å; F95-V121 HydrophobicContact CD2-CG2 3.9Å; F95-V121 HydrophobicContact CE2-CG2 4.36Å; F95-V121 HydrophobicContact CG-CG1 4.48Å; F95-V121 HydrophobicContact CG-CG2 4.26Å; I101-V121 HydrophobicContact CD1-CG1 4.06Å; I101-V121 HydrophobicContact CG1-CG1 4.09Å; I101-V121 HydrophobicContact CG2-CG1 4.21Å; V104-V121 HydrophobicContact CG1-CG2 4.45Å; V104-V121 HydrophobicContact CG2-CG1 4.5Å; V121-F123 HydrophobicContact CB-CE2 4.2Å; V121-F123 HydrophobicContact CG1-CD2 4.11Å; V121-F123 HydrophobicContact CG1-CE2 3.63Å; V121-F123 HydrophobicContact CG1-CZ 3.92Å
122	Y	92.6	Very high	90.6	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.5	179.3	-66.7	-94	0	0	0	108.6	C76 I101 E102 D103 Q105 F120 R155 P156 H157	C76-Y122 HydrophobicContact CB-CD1 3.79Å; C76-Y122 HydrophobicContact CB-CE1 3.57Å; C76-Y122 WeakPolarHBondContact SG-CE1 3.27Å; C76-Y122 PolarHBondContact SG-OH 3.25Å; I101-Y122 CarbonylContact C-O 3.52Å; I101-Y122 WeakPolarHBondContact CA-O 3.16Å; E102-Y122 PolarHBondContact N-O 2.97Å; D103-Y122 HydrophobicContact CB-CD2 4.2Å; D103-Y122 PolarHBondContact N-O 3.48Å; D103-Y122 PolarHBondContact O-N 3.11Å; Q105-Y122 HydrophobicContact CG-CE2 4.19Å; F120-Y122 HydrophobicContact CB-CD2 4.48Å; F120-Y122 HydrophobicContact CB-CE2 3.66Å; Y122-R155 PolarHBondContact OH-O 3.28Å; Y122-R155 VanDerWaalsContact OH-O 3.07Å; Y122-P156 VanDerWaalsContact OH-CA 3.32Å; Y122-P156 WeakPolarHBondContact OH-CA 3.33Å; Y122-H157 PolarHBondContact OH-CD2 3.01Å; Y122-H157 PolarHBondContact OH-N 2.73Å
123	F	93.9	Very high	91	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	151.5	178.2	-70.9	-90.7	0	0	0	111.3	R75 L77 F95 N100 I101 V121 H125 D128 A129 A132	R75-F123 WeakPolarHBondContact CB-O 3.24Å; R75-F123 PolarHBondContact NH1-O 3.37Å; R75-F123 PolarHBondContact O-N 3.48Å; L77-F123 HydrophobicContact CB-CE2 4.07Å; L77-F123 HydrophobicContact CD2-CE2 4.17Å; F95-F123 HydrophobicContact CB-CZ 4.06Å; F95-F123 HydrophobicContact CD1-CZ 4.09Å; F95-F123 HydrophobicContact CG-CZ 4.45Å; N100-F123 CarbonylContact O-C 3.55Å; N100-F123 VanDerWaalsContact O-CA 3.28Å; N100-F123 WeakPolarHBondContact O-CA 3.36Å; I101-F123 HydrophobicContact CG1-CD1 4.32Å; I101-F123 HydrophobicContact CG1-CE1 4.14Å; V121-F123 HydrophobicContact CB-CE2 4.2Å; V121-F123 HydrophobicContact CG1-CD2 4.11Å; V121-F123 HydrophobicContact CG1-CE2 3.63Å; V121-F123 HydrophobicContact CG1-CZ 3.92Å; F123-H125 WeakPolarHBondContact CB-O 3.44Å; F123-H125 PolarHBondContact O-N 2.78Å; F123-D128 HydrophobicContact CB-CB 4.35Å; F123-D128 HydrophobicContact CD1-CB 3.73Å; F123-D128 HydrophobicContact CE1-CB 4.33Å; F123-D128 HydrophobicContact CG-CB 4.24Å; F123-A129 HydrophobicContact CB-CB 4.23Å; F123-A129 HydrophobicContact CD2-CB 3.67Å; F123-A129 HydrophobicContact CE2-CB 4.29Å; F123-A129 HydrophobicContact CG-CB 4.12Å; F123-A132 HydrophobicContact CE1-CB 4.42Å; F123-A132 HydrophobicContact CE2-CB 4.03Å; F123-A132 HydrophobicContact CZ-CB 3.61Å
124	T	92.9	Very high	91.5	Very high	44 Å²	44	40.9 Å²	40.9	27%	0.27	22%	0.221	S	C	.	.	S	Bend	trans	-64.8	-30.4	172.7	60.4	0	0	0	0	111.9	R75 N100 E102	R75-T124 WeakPolarHBondContact CD-O 3.39Å; N100-T124 HydrophobicContact CB-CG2 3.88Å; N100-T124 WeakPolarHBondContact CB-OG1 3.17Å; N100-T124 PolarHBondContact O-N 3.44Å; E102-T124 HydrophobicContact CG-CG2 3.74Å
125	H	92.9	Very high	91.8	Very high	102 Å²	102	38.8 Å²	38.8	47%	0.472	22%	0.221	S	C	.	.			trans	-127.5	147.4	-175.7	-52.2	-49.7	0	0	0	113.1	F123 A127 D128 A129	F123-H125 WeakPolarHBondContact CB-O 3.44Å; F123-H125 PolarHBondContact O-N 2.78Å; H125-A127 VanDerWaalsContact C-N 3.27Å; H125-A127 PolarHBondContact O-N 2.68Å; H125-D128 WeakPolarHBondContact CB-OD1 3.47Å; H125-D128 IonicContact CD2-OD1 3.92Å; H125-D128 IonicContact CD2-OD2 3.69Å; H125-A129 PolarHBondContact O-N 3.38Å
126	V	92.2	Very high	91.9	Very high	60 Å²	60	38.4 Å²	38.4	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-72.7	-22.5	176.7	-175.6	0	0	0	0	111.6	P73 R75 K130	P73-V126 HydrophobicContact CB-CG1 3.84Å; R75-V126 HydrophobicContact CG-CG2 3.52Å; V126-K130 WeakPolarHBondContact O-CB 3.17Å; V126-K130 PolarHBondContact O-N 3.08Å; V126-K130 VanDerWaalsContact O-N 3.12Å
127	A	93	Very high	92	Very high	68 Å²	68	40 Å²	40	56%	0.562	23%	0.228	S	C	*	.	H	α-helix	trans	-65.8	-52.7	175.6	0	0	0	0	0	111.1	H125 A129 K130 A131	H125-A127 VanDerWaalsContact C-N 3.27Å; H125-A127 PolarHBondContact O-N 2.68Å; A127-A129 PolarHBondContact O-N 2.97Å; A127-K130 WeakPolarHBondContact O-CA 3.07Å; A127-K130 WeakPolarHBondContact O-CB 3.09Å; A127-K130 PolarHBondContact O-N 2.97Å; A127-A131 PolarHBondContact O-N 2.83Å
128	D	93.6	Very high	91.9	Very high	27 Å²	27	41.6 Å²	41.6	14%	0.144	24%	0.244	C	C	.	.	H	α-helix	trans	-54.5	-50.5	176.8	-50.8	18.5	0	0	0	110.5	G99 N100 F123 H125 K130 A131 A132	G99-D128 WeakPolarHBondContact CA-OD2 3.49Å; N100-D128 PolarHBondContact N-OD2 3.1Å; N100-D128 VanDerWaalsContact N-OD2 3.13Å; F123-D128 HydrophobicContact CB-CB 4.35Å; F123-D128 HydrophobicContact CD1-CB 3.73Å; F123-D128 HydrophobicContact CE1-CB 4.33Å; F123-D128 HydrophobicContact CG-CB 4.24Å; H125-D128 WeakPolarHBondContact CB-OD1 3.47Å; H125-D128 IonicContact CD2-OD1 3.92Å; H125-D128 IonicContact CD2-OD2 3.69Å; D128-K130 PolarHBondContact O-N 3.11Å; D128-A131 PolarHBondContact O-N 3.46Å; D128-A132 WeakPolarHBondContact O-CB 2.84Å; D128-A132 PolarHBondContact O-N 2.94Å
129	A	92.2	Very high	91.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-29.6	175.9	0	0	0	0	0	113.4	S74 F123 H125 A127 K133 F150	S74-A129 WeakPolarHBondContact O-CB 3.37Å; F123-A129 HydrophobicContact CB-CB 4.23Å; F123-A129 HydrophobicContact CD2-CB 3.67Å; F123-A129 HydrophobicContact CE2-CB 4.29Å; F123-A129 HydrophobicContact CG-CB 4.12Å; H125-A129 PolarHBondContact O-N 3.38Å; A127-A129 PolarHBondContact O-N 2.97Å; A129-K133 WeakPolarHBondContact O-CB 3.36Å; A129-K133 PolarHBondContact O-N 3.41Å; A129-F150 HydrophobicContact CB-CE1 4.36Å
130	K	92.7	Very high	91.7	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-78.6	-38.5	177.1	-179.4	-175.2	173.4	-168.3	0	112.2	V126 A127 D128 K133 A134 F150	V126-K130 WeakPolarHBondContact O-CB 3.17Å; V126-K130 PolarHBondContact O-N 3.08Å; V126-K130 VanDerWaalsContact O-N 3.12Å; A127-K130 WeakPolarHBondContact O-CA 3.07Å; A127-K130 WeakPolarHBondContact O-CB 3.09Å; A127-K130 PolarHBondContact O-N 2.97Å; D128-K130 PolarHBondContact O-N 3.11Å; K130-K133 PolarHBondContact O-N 2.85Å; K130-A134 PolarHBondContact O-N 3.19Å; K130-A134 VanDerWaalsContact O-N 3.1Å; K130-F150 HydrophobicContact CB-CE1 4.38Å; K130-F150 HydrophobicContact CB-CZ 3.98Å; K130-F150 HydrophobicContact CG-CZ 4.21Å
131	A	92.6	Very high	91.5	Very high	40 Å²	40	49.5 Å²	49.5	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-50.5	170.8	0	0	0	0	0	110.3	A127 D128 K133 A134 D135	A127-A131 PolarHBondContact O-N 2.83Å; D128-A131 PolarHBondContact O-N 3.46Å; A131-K133 VanDerWaalsContact C-N 3.29Å; A131-K133 PolarHBondContact O-N 3.28Å; A131-A134 WeakPolarHBondContact O-CB 3.11Å; A131-A134 PolarHBondContact O-N 3.21Å; A131-D135 PolarHBondContact O-N 2.81Å
132	A	93	Very high	91.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.9	-38.1	174.1	0	0	0	0	0	113.2	L77 F95 Y98 F123 D128 A136	L77-A132 HydrophobicContact CD2-CB 3.85Å; F95-A132 HydrophobicContact CD1-CB 4Å; F95-A132 HydrophobicContact CE1-CB 4.26Å; Y98-A132 HydrophobicContact CD2-CB 3.78Å; Y98-A132 HydrophobicContact CG-CB 3.87Å; F123-A132 HydrophobicContact CE1-CB 4.42Å; F123-A132 HydrophobicContact CE2-CB 4.03Å; F123-A132 HydrophobicContact CZ-CB 3.61Å; D128-A132 WeakPolarHBondContact O-CB 2.84Å; D128-A132 PolarHBondContact O-N 2.94Å; A132-A136 WeakPolarHBondContact O-CB 3.5Å; A132-A136 PolarHBondContact O-N 3.23Å; A132-A136 VanDerWaalsContact O-N 3.13Å
133	K	92.4	Very high	90.9	Very high	28 Å²	28	56.2 Å²	56.2	12%	0.122	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-45.1	172.4	-165.3	-161.1	169.5	-174.6	0	111.5	E69 N70 L77 A129 K130 A131 H137 C148 F150	E69-K133 PolarHBondContact O-NZ 3.03Å; N70-K133 PolarHBondContact OD1-NZ 2.87Å; L77-K133 HydrophobicContact CD1-CB 3.83Å; L77-K133 HydrophobicContact CD1-CG 4.14Å; A129-K133 WeakPolarHBondContact O-CB 3.36Å; A129-K133 PolarHBondContact O-N 3.41Å; K130-K133 PolarHBondContact O-N 2.85Å; A131-K133 VanDerWaalsContact C-N 3.29Å; A131-K133 PolarHBondContact O-N 3.28Å; K133-H137 WeakPolarHBondContact O-CB 3.48Å; K133-H137 PolarHBondContact O-N 2.63Å; K133-C148 WeakPolarHBondContact CE-O 3.49Å; K133-C148 HydrophobicContact CG-CB 4.48Å; K133-C148 WeakPolarHBondContact CG-O 3.21Å; K133-F150 HydrophobicContact CB-CE1 4.33Å; K133-F150 HydrophobicContact CB-CZ 4.19Å; K133-F150 HydrophobicContact CD-CD2 3.94Å; K133-F150 HydrophobicContact CD-CE2 3.66Å; K133-F150 HydrophobicContact CD-CZ 4.02Å
134	A	90.8	Very high	90.6	Very high	74 Å²	74	61.2 Å²	61.2	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-64.5	-47.2	-175.8	0	0	0	0	0	112.1	K130 A131	K130-A134 PolarHBondContact O-N 3.19Å; K130-A134 VanDerWaalsContact O-N 3.1Å; A131-A134 WeakPolarHBondContact O-CB 3.11Å; A131-A134 PolarHBondContact O-N 3.21Å
135	D	90.8	Very high	90.4	Very high	105 Å²	105	63.1 Å²	63.1	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-90	-38.1	-168.9	-60.7	-16.7	0	0	0	112.8	Y98 A131	Y98-D135 HydrophobicContact CE1-CB 3.54Å; A131-D135 PolarHBondContact O-N 2.81Å
136	A	89.4	Confident	90.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-83.5	-12.9	-178	0	0	0	0	0	113.5	F95 Y98 A132 G138 M139 I146	F95-A136 HydrophobicContact CE1-CB 3.61Å; F95-A136 HydrophobicContact CZ-CB 3.97Å; Y98-A136 HydrophobicContact CE2-CB 4.12Å; A132-A136 WeakPolarHBondContact O-CB 3.5Å; A132-A136 PolarHBondContact O-N 3.23Å; A132-A136 VanDerWaalsContact O-N 3.13Å; A136-G138 PolarHBondContact O-N 3.01Å; A136-G138 VanDerWaalsContact O-N 3.12Å; A136-M139 HydrophobicContact CB-CE 3.85Å; A136-M139 WeakPolarHBondContact O-CB 3.37Å; A136-M139 PolarHBondContact O-N 2.74Å; A136-I146 HydrophobicContact CB-CD1 4.45Å; A136-I146 WeakPolarHBondContact O-CD1 3.47Å; A136-I146 VanDerWaalsContact O-CG1 3.26Å; A136-I146 WeakPolarHBondContact O-CG1 3.22Å
137	H	89	Confident	90.4	Very high	98 Å²	98	60.2 Å²	60.2	45%	0.454	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	108.2	178.2	174	-70.3	0	0	0	111.1	K133 C148	K133-H137 WeakPolarHBondContact O-CB 3.48Å; K133-H137 PolarHBondContact O-N 2.63Å; H137-C148 HydrophobicContact CB-CB 4.18Å
138	G	86.8	Confident	90.3	Very high	43 Å²	43	57 Å²	57	44%	0.443	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-6.2	-177.4	0	0	0	0	0	114.1	A136 I146	A136-G138 PolarHBondContact O-N 3.01Å; A136-G138 VanDerWaalsContact O-N 3.12Å; G138-I146 WeakPolarHBondContact CA-O 3.46Å; G138-I146 PolarHBondContact N-O 2.89Å
139	M	89.5	Confident	90.2	Very high	56 Å²	56	56.2 Å²	56.2	28%	0.276	31%	0.314	S	S	.	.			trans	-60.4	145	173.6	-179.6	171.1	61.8	0	0	111.4	I94 A136 I141 P145 I146	I94-M139 HydrophobicContact CG2-CE 3.37Å; A136-M139 HydrophobicContact CB-CE 3.85Å; A136-M139 WeakPolarHBondContact O-CB 3.37Å; A136-M139 PolarHBondContact O-N 2.74Å; M139-I141 HydrophobicContact CE-CD1 4.33Å; M139-I141 HydrophobicContact CE-CG1 4.45Å; M139-P145 WeakPolarHBondContact O-CA 3.35Å; M139-I146 HydrophobicContact CB-CD1 4.37Å; M139-I146 HydrophobicContact CB-CG1 4.42Å; M139-I146 HydrophobicContact CE-CD1 3.85Å; M139-I146 WeakPolarHBondContact O-CG1 3.22Å; M139-I146 PolarHBondContact O-N 2.65Å
140	E	89.8	Confident	90.1	Very high	137 Å²	137	57.1 Å²	57.1	64%	0.64	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	121.1	177.9	-60.5	-160.8	151.5	0	0	112.1	R144 P145	E140-R144 WeakPolarHBondContact CA-O 3.45Å; E140-P145 HydrophobicContact CG-CB 4.48Å
141	I	87.8	Confident	89.7	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.1	169.9	-60.4	-176.1	0	0	0	108	L82 T86 L91 I94 M139 G143 R144 I146	L82-I141 HydrophobicContact CD2-CD1 4.2Å; T86-I141 HydrophobicContact CG2-CG2 4.02Å; L91-I141 HydrophobicContact CD2-CD1 4.45Å; I94-I141 HydrophobicContact CD1-CD1 3.67Å; I94-I141 HydrophobicContact CD1-CG1 4.04Å; I94-I141 HydrophobicContact CG2-CD1 4.32Å; M139-I141 HydrophobicContact CE-CD1 4.33Å; M139-I141 HydrophobicContact CE-CG1 4.45Å; I141-G143 PolarHBondContact O-N 2.87Å; I141-G143 VanDerWaalsContact O-N 3.15Å; I141-R144 PolarHBondContact N-O 2.83Å; I141-R144 WeakPolarHBondContact O-CB 3.26Å; I141-R144 PolarHBondContact O-N 2.81Å; I141-I146 HydrophobicContact CB-CG2 3.92Å; I141-I146 HydrophobicContact CD1-CD1 3.75Å; I141-I146 HydrophobicContact CD1-CG2 3.95Å; I141-I146 HydrophobicContact CG1-CD1 4.23Å; I141-I146 HydrophobicContact CG1-CG2 3.83Å
142	D	86.6	Confident	88.8	Confident	87 Å²	87	55 Å²	55	47%	0.465	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	33.9	-178.6	-55.4	-39.7	0	0	0	113.7	S83 T86	S83-D142 WeakPolarHBondContact CB-OD2 3.11Å; T86-D142 PolarHBondContact OG1-OD2 3.09Å
143	G	86.4	Confident	87.7	Confident	64 Å²	64	57.5 Å²	57.5	66%	0.66	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	29	-175.9	0	0	0	0	0	114.3	I141	I141-G143 PolarHBondContact O-N 2.87Å; I141-G143 VanDerWaalsContact O-N 3.15Å
144	R	87.5	Confident	86.5	Confident	105 Å²	105	64.2 Å²	64.2	40%	0.396	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.9	-179.8	-50.4	-173.2	68.3	-145.9	-15	110.6	G81 L82 E140 I141 I146	G81-R144 PolarHBondContact O-NH1 3.19Å; G81-R144 PolarHBondContact O-NH2 3.12Å; L82-R144 PolarHBondContact O-NH1 3.3Å; E140-R144 WeakPolarHBondContact CA-O 3.45Å; I141-R144 PolarHBondContact N-O 2.83Å; I141-R144 WeakPolarHBondContact O-CB 3.26Å; I141-R144 PolarHBondContact O-N 2.81Å; R144-I146 PolarHBondContact O-N 2.89Å
145	P	90.4	Very high	85.4	Confident	84 Å²	84	70.5 Å²	70.5	55%	0.545	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	175.6	27.2	-34.3	0	0	0	110.6	M139 E140	M139-P145 WeakPolarHBondContact O-CA 3.35Å; E140-P145 HydrophobicContact CG-CB 4.48Å
146	I	93	Very high	84.1	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	36%	0.362	C	S	.	.			trans	-92.2	156.3	178.2	78.3	-175.9	0	0	0	111	V79 F80 L82 F95 A136 G138 M139 I141 R144	V79-I146 HydrophobicContact CG1-CB 4.38Å; V79-I146 HydrophobicContact CG1-CD1 4Å; F80-I146 CarbonylContact O-C 3.55Å; F80-I146 VanDerWaalsContact O-CA 3.29Å; F80-I146 WeakPolarHBondContact O-CA 3.42Å; L82-I146 HydrophobicContact CD2-CG2 3.91Å; F95-I146 HydrophobicContact CZ-CD1 4.26Å; A136-I146 HydrophobicContact CB-CD1 4.45Å; A136-I146 WeakPolarHBondContact O-CD1 3.47Å; A136-I146 VanDerWaalsContact O-CG1 3.26Å; A136-I146 WeakPolarHBondContact O-CG1 3.22Å; G138-I146 WeakPolarHBondContact CA-O 3.46Å; G138-I146 PolarHBondContact N-O 2.89Å; M139-I146 HydrophobicContact CB-CD1 4.37Å; M139-I146 HydrophobicContact CB-CG1 4.42Å; M139-I146 HydrophobicContact CE-CD1 3.85Å; M139-I146 WeakPolarHBondContact O-CG1 3.22Å; M139-I146 PolarHBondContact O-N 2.65Å; I141-I146 HydrophobicContact CB-CG2 3.92Å; I141-I146 HydrophobicContact CD1-CD1 3.75Å; I141-I146 HydrophobicContact CD1-CG2 3.95Å; I141-I146 HydrophobicContact CG1-CD1 4.23Å; I141-I146 HydrophobicContact CG1-CG2 3.83Å; R144-I146 PolarHBondContact O-N 2.89Å
147	R	91.2	Very high	82.9	Confident	96 Å²	96	73 Å²	73	36%	0.362	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.1	173.1	-162.5	-178.6	99.6	141.9	14.5	109.5	E69 F80 D149	E69-R147 IonicContact OE2-NH1 3.31Å; E69-R147 PolarHBondContact OE2-NH1 3.44Å; F80-R147 HydrophobicContact CB-CB 4.41Å; F80-R147 PolarHBondContact N-O 2.86Å; F80-R147 PolarHBondContact O-N 2.78Å; R147-D149 IonicContact CZ-OD1 3.99Å; R147-D149 IonicContact CZ-OD2 3.88Å; R147-D149 IonicContact NE-OD1 3.47Å; R147-D149 IonicContact NE-OD2 2.68Å; R147-D149 PolarHBondContact NE-OD2 2.77Å; R147-D149 VanDerWaalsContact NH2-CG 3.32Å; R147-D149 IonicContact NH2-OD1 3.19Å; R147-D149 PolarHBondContact NH2-OD1 3.33Å; R147-D149 IonicContact NH2-OD2 3.38Å; R147-D149 PolarHBondContact NH2-OD2 2.72Å
148	C	91.9	Very high	81.7	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122	-179.3	-61	0	0	0	0	110	L77 G78 K133 H137	L77-C148 HydrophobicContact CD1-CB 4.21Å; L77-C148 HydrophobicContact CD2-CB 4.19Å; L77-C148 HydrophobicContact CG-CB 4.32Å; G78-C148 WeakPolarHBondContact O-CA 3.45Å; K133-C148 WeakPolarHBondContact CE-O 3.49Å; K133-C148 HydrophobicContact CG-CB 4.48Å; K133-C148 WeakPolarHBondContact CG-O 3.21Å; H137-C148 HydrophobicContact CB-CB 4.18Å
149	D	91.1	Very high	80.6	Confident	11 Å²	11	76 Å²	76	6%	0.059	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.2	177.1	-64.5	-74.2	0	0	0	110.5	G78 F80 R147 S151	G78-D149 PolarHBondContact N-O 3.19Å; G78-D149 PolarHBondContact O-N 3.23Å; F80-D149 HydrophobicContact CE2-CB 4.3Å; R147-D149 IonicContact CZ-OD1 3.99Å; R147-D149 IonicContact CZ-OD2 3.88Å; R147-D149 IonicContact NE-OD1 3.47Å; R147-D149 IonicContact NE-OD2 2.68Å; R147-D149 PolarHBondContact NE-OD2 2.77Å; R147-D149 VanDerWaalsContact NH2-CG 3.32Å; R147-D149 IonicContact NH2-OD1 3.19Å; R147-D149 PolarHBondContact NH2-OD1 3.33Å; R147-D149 IonicContact NH2-OD2 3.38Å; R147-D149 PolarHBondContact NH2-OD2 2.72Å; D149-S151 PolarHBondContact O-N 3.15Å
150	F	90.6	Very high	79.3	Confident	18 Å²	18	76.4 Å²	76.4	8%	0.079	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.5	166.9	-60.3	-62.1	0	0	0	110.4	P71 T72 P73 L77 A129 K130 K133	P71-F150 HydrophobicContact CB-CB 4.12Å; P71-F150 HydrophobicContact CG-CB 4.3Å; P71-F150 WeakPolarHBondContact CG-O 3.34Å; T72-F150 WeakPolarHBondContact O-CB 3.37Å; P73-F150 HydrophobicContact CB-CD2 4.31Å; P73-F150 HydrophobicContact CB-CE1 4.23Å; P73-F150 HydrophobicContact CB-CE2 3.87Å; P73-F150 HydrophobicContact CB-CZ 3.83Å; L77-F150 HydrophobicContact CD1-CD1 4.46Å; A129-F150 HydrophobicContact CB-CE1 4.36Å; K130-F150 HydrophobicContact CB-CE1 4.38Å; K130-F150 HydrophobicContact CB-CZ 3.98Å; K130-F150 HydrophobicContact CG-CZ 4.21Å; K133-F150 HydrophobicContact CB-CE1 4.33Å; K133-F150 HydrophobicContact CB-CZ 4.19Å; K133-F150 HydrophobicContact CD-CD2 3.94Å; K133-F150 HydrophobicContact CD-CE2 3.66Å; K133-F150 HydrophobicContact CD-CZ 4.02Å
151	S	83.5	Confident	77.4	Confident	9 Å²	9	76.1 Å²	76.1	6%	0.063	42%	0.416	C	S	.	.			trans	-69.4	136.2	172.2	-177.9	0	0	0	0	109.9	S74 C76 D149 T153 H157	S74-S151 PolarHBondContact OG-O 3.24Å; C76-S151 WeakPolarHBondContact O-CB 3.29Å; C76-S151 PolarHBondContact O-N 2.9Å; C76-S151 WeakPolarHBondContact SG-CB 3.44Å; D149-S151 PolarHBondContact O-N 3.15Å; S151-T153 WeakPolarHBondContact CB-O 3.26Å; S151-T153 PolarHBondContact O-N 2.85Å; S151-T153 PolarHBondContact OG-N 2.93Å; S151-T153 PolarHBondContact OG-O 3.41Å; S151-T153 PolarHBondContact OG-OG1 2.94Å; S151-T153 VanDerWaalsContact OG-OG1 3.1Å; S151-H157 WeakPolarHBondContact CB-NE2 3.46Å; S151-H157 PolarHBondContact OG-NE2 3.11Å
152	I	73.9	Confident	76	Confident	127 Å²	127	78.2 Å²	78.2	65%	0.651	44%	0.44	S	S	*	.	S	Bend	trans	-68.1	-14.9	172.3	-62.6	164.2	0	0	0	110.9	P71	P71-I152 HydrophobicContact CB-CG1 4.35Å
153	T	69.7	Low	74.7	Confident	51 Å²	51	79 Å²	79	31%	0.313	44%	0.444	S	S	.	.			trans	-115.2	126.6	176.2	57.8	0	0	0	0	110.9	S151 R155 H157	S151-T153 WeakPolarHBondContact CB-O 3.26Å; S151-T153 PolarHBondContact O-N 2.85Å; S151-T153 PolarHBondContact OG-N 2.93Å; S151-T153 PolarHBondContact OG-O 3.41Å; S151-T153 PolarHBondContact OG-OG1 2.94Å; S151-T153 VanDerWaalsContact OG-OG1 3.1Å; T153-R155 PolarHBondContact O-N 3.03Å; T153-H157 PolarHBondContact OG1-CE1 3.37Å; T153-H157 PolarHBondContact OG1-NE2 3.13Å
154	E	67.6	Low	73.4	Confident	170 Å²	170	79.9 Å²	79.9	79%	0.794	43%	0.427	S	S	*	.	S	Bend	trans	-74.4	-9.3	176.9	-57.9	172.5	149.1	0	0	113.6
155	R	66.3	Low	72.1	Confident	206 Å²	206	82.8 Å²	82.8	78%	0.777	45%	0.448	S	S	*	.	S	Bend	trans	-93.7	154.8	-173.9	-63.6	180	-177	173.4	0.4	111.9	Y122 T153 H157	Y122-R155 PolarHBondContact OH-O 3.28Å; Y122-R155 VanDerWaalsContact OH-O 3.07Å; T153-R155 PolarHBondContact O-N 3.03Å; R155-H157 PolarHBondContact O-N 3.01Å
156	P	64.6	Low	70.8	Confident	85 Å²	85	80.1 Å²	80.1	55%	0.552	44%	0.435	S	S	*	.			trans	-52.5	132.4	163.5	22.9	-33.4	0	0	0	110.1	Y122 S158	Y122-P156 VanDerWaalsContact OH-CA 3.32Å; Y122-P156 WeakPolarHBondContact OH-CA 3.33Å; P156-S158 PolarHBondContact O-N 2.87Å; P156-S158 VanDerWaalsContact O-N 3.08Å
157	H	64.9	Low	69	Low	73 Å²	73	91.6 Å²	91.6	34%	0.338	48%	0.478	S	S	.	.			trans	-77.3	99.1	-178	-89.8	-72.5	0	0	0	109.4	F120 Y122 S151 T153 R155	F120-H157 AromaticContact CD1-CD2 3.63Å; F120-H157 AromaticContact CD1-NE2 3.72Å; F120-H157 HydrophobicContact CD2-CB 4.08Å; F120-H157 AromaticContact CD2-CD2 3.49Å; F120-H157 VanDerWaalsContact CD2-CD2 3.49Å; F120-H157 WeakPolarHBondContact CD2-CD2 3.33Å; F120-H157 AromaticContact CD2-CG 4Å; F120-H157 AromaticContact CE1-CD2 3.53Å; F120-H157 AromaticContact CE1-NE2 3.24Å; F120-H157 WeakPolarHBondContact CE1-NE2 3.4Å; F120-H157 HydrophobicContact CE2-CB 4.08Å; F120-H157 AromaticContact CE2-CD2 3.37Å; F120-H157 WeakPolarHBondContact CE2-CD2 3.46Å; F120-H157 AromaticContact CE2-CG 3.72Å; F120-H157 AromaticContact CG-CD2 3.62Å; F120-H157 AromaticContact CZ-CD2 3.39Å; F120-H157 WeakPolarHBondContact CZ-CD2 3.24Å; F120-H157 AromaticContact CZ-NE2 3.59Å; Y122-H157 PolarHBondContact OH-CD2 3.01Å; Y122-H157 PolarHBondContact OH-N 2.73Å; S151-H157 WeakPolarHBondContact CB-NE2 3.46Å; S151-H157 PolarHBondContact OG-NE2 3.11Å; T153-H157 PolarHBondContact OG1-CE1 3.37Å; T153-H157 PolarHBondContact OG1-NE2 3.13Å; R155-H157 PolarHBondContact O-N 3.01Å
158	S	63.5	Low	67.3	Low	93 Å²	93	91.9 Å²	91.9	65%	0.65	49%	0.492	S	S	*	.			trans	-49.7	128.8	168.7	-54.8	0	0	0	0	109.9	P156 T160	P156-S158 PolarHBondContact O-N 2.87Å; P156-S158 VanDerWaalsContact O-N 3.08Å; S158-T160 PolarHBondContact O-N 2.79Å
159	P	62.8	Low	65.6	Low	111 Å²	111	96.6 Å²	96.6	72%	0.721	53%	0.525	S	S	*	.			trans	-56.3	118.9	-175.5	22.2	-33.3	0	0	0	109	P161	P159-P161 WeakPolarHBondContact O-CD 3.44Å
160	T	61.4	Low	63.8	Low	63 Å²	63	104.6 Å²	104.6	39%	0.387	55%	0.554	S	S	.	*			trans	-52.2	112.5	-158.5	54.5	0	0	0	0	111.2	S158 G162	S158-T160 PolarHBondContact O-N 2.79Å; T160-G162 PolarHBondContact O-N 2.82Å; T160-G162 VanDerWaalsContact O-N 3.11Å
161	P	51	Low	62	Low	131 Å²	131	114.6 Å²	114.6	85%	0.851	59%	0.592	S	S	*	*	S	Bend	trans	-69.6	114.4	-164	23.3	-33.1	0	0	0	111.4	P159	P159-P161 WeakPolarHBondContact O-CD 3.44Å
162	G	57.6	Low	60.2	Low	54 Å²	54	120.1 Å²	120.1	56%	0.557	63%	0.627	S	S	*	*	S	Bend	trans	109	-171.2	179.6	0	0	0	0	0	114	T160 Y164	T160-G162 PolarHBondContact O-N 2.82Å; T160-G162 VanDerWaalsContact O-N 3.11Å; G162-Y164 PolarHBondContact O-N 2.86Å
163	I	59.5	Low	59	Low	104 Å²	104	120.1 Å²	120.1	53%	0.533	63%	0.627	S	S	.	*			trans	-63.4	111.2	-179.1	-52.6	-168.8	0	0	0	108.8	Y111 M165	Y111-I163 HydrophobicContact CE2-CB 4.27Å; Y111-I163 HydrophobicContact CE2-CD1 4.32Å; Y111-I163 HydrophobicContact CE2-CG1 3.94Å; Y111-I163 HydrophobicContact CE2-CG2 3.9Å; Y111-I163 WeakPolarHBondContact OH-CD1 3.4Å; Y111-I163 WeakPolarHBondContact OH-CG1 3.49Å; I163-M165 VanDerWaalsContact C-N 3.33Å; I163-M165 VanDerWaalsContact O-CG 3.22Å; I163-M165 WeakPolarHBondContact O-CG 3.46Å; I163-M165 PolarHBondContact O-N 3.17Å
164	Y	59.4	Low	58	Low	81 Å²	81	123.1 Å²	123.1	32%	0.318	65%	0.647	S	S	.	*			trans	-72.1	88.8	178.6	179.7	175.7	0	0	0	109.9	V107 R116 F118 G162 G166	V107-Y164 HydrophobicContact CB-CE1 4.15Å; V107-Y164 HydrophobicContact CG1-CD1 3.75Å; V107-Y164 HydrophobicContact CG1-CE1 3.37Å; R116-Y164 HydrophobicContact CB-CE1 4.06Å; R116-Y164 HydrophobicContact CG-CE1 4.15Å; R116-Y164 PolarHBondContact NE-OH 2.93Å; R116-Y164 PolarHBondContact NH1-OH 3.25Å; R116-Y164 PolarHBondContact NH2-O 3.15Å; F118-Y164 AromaticContact CE1-CE1 3.38Å; F118-Y164 HydrophobicContact CE1-CE1 3.38Å; F118-Y164 AromaticContact CE1-CZ 3.47Å; F118-Y164 VanDerWaalsContact CE1-CZ 3.47Å; F118-Y164 WeakPolarHBondContact CE1-OH 3.47Å; F118-Y164 AromaticContact CZ-CE1 3.37Å; F118-Y164 HydrophobicContact CZ-CE1 3.37Å; F118-Y164 AromaticContact CZ-CZ 3.58Å; F118-Y164 WeakPolarHBondContact CZ-OH 3.33Å; G162-Y164 PolarHBondContact O-N 2.86Å; Y164-G166 VanDerWaalsContact CD2-N 3.27Å; Y164-G166 PolarHBondContact O-N 3.05Å
165	M	60.3	Low	57	Low	167 Å²	167	126.3 Å²	126.3	82%	0.823	65%	0.652	S	S	*	*			trans	-64.2	38.9	-178.4	-49.2	-174.5	-174.3	0	0	116.8	I163	I163-M165 VanDerWaalsContact C-N 3.33Å; I163-M165 VanDerWaalsContact O-CG 3.22Å; I163-M165 WeakPolarHBondContact O-CG 3.46Å; I163-M165 PolarHBondContact O-N 3.17Å
166	G	62.4	Low	56	Low	27 Å²	27	128.1 Å²	128.1	28%	0.278	66%	0.659	S	S	.	*	S	Bend	trans	-66.6	174.6	171.1	0	0	0	0	0	111.7	Y164 P168	Y164-G166 VanDerWaalsContact CD2-N 3.27Å; Y164-G166 PolarHBondContact O-N 3.05Å; G166-P168 WeakPolarHBondContact O-CD 3.34Å; G166-P168 VanDerWaalsContact O-N 3.12Å
167	R	56.4	Low	54.8	Low	246 Å²	246	135.3 Å²	135.3	93%	0.928	68%	0.675	S	S	*	*	S	Bend	trans	-61.6	117.2	174.7	-168.6	176.3	-166.4	-113.2	8.1	108.1	S169	R167-S169 PolarHBondContact O-N 2.87Å
168	P	55.8	Low	53.6	Low	102 Å²	102	136.9 Å²	136.9	66%	0.662	69%	0.694	S	S	*	*			trans	-62.1	129.4	-171.4	22.5	-32.8	0	0	0	110.3	G166 R170	G166-P168 WeakPolarHBondContact O-CD 3.34Å; G166-P168 VanDerWaalsContact O-N 3.12Å; P168-R170 PolarHBondContact O-N 2.93Å; P168-R170 VanDerWaalsContact O-N 3.11Å
169	S	54.5	Low	52.9	Low	99 Å²	99	139.5 Å²	139.5	69%	0.692	70%	0.7	S	S	*	*	S	Bend	trans	-59.8	-24.2	-176.9	-176.9	0	0	0	0	112.8	R167 R171	R167-S169 PolarHBondContact O-N 2.87Å; S169-R171 PolarHBondContact O-N 2.96Å; S169-R171 VanDerWaalsContact O-N 3.13Å
170	R	53.5	Low	51.9	Low	179 Å²	179	139.1 Å²	139.1	68%	0.675	70%	0.7	S	S	*	*	S	Bend	trans	-70.7	107.1	172.2	-57.2	-176.1	-169.1	-162.7	2.3	109.8	P168	P168-R170 PolarHBondContact O-N 2.93Å; P168-R170 VanDerWaalsContact O-N 3.11Å
171	R	52.8	Low	51.2	Low	229 Å²	229	141.9 Å²	141.9	86%	0.864	72%	0.719	S	S	*	*			trans	-41.7	137.8	151.5	-77.1	-175.9	171.3	-162.6	-2	107.6	S169 I173	S169-R171 PolarHBondContact O-N 2.96Å; S169-R171 VanDerWaalsContact O-N 3.13Å; R171-I173 PolarHBondContact O-N 3.05Å
172	P	46.8	Very low	50.9	Low	124 Å²	124	147.2 Å²	147.2	81%	0.805	72%	0.722	S	S	*	*			trans	-54.9	111.1	-179.8	-25.1	33.9	0	0	0	109.7	P174	P172-P174 WeakPolarHBondContact O-CD 3.3Å
173	I	49.4	Very low	50.1	Low	128 Å²	128	148.3 Å²	148.3	66%	0.656	73%	0.733	S	S	*	*			trans	-57.3	118.8	169.2	-60.3	174.4	0	0	0	104.2	R171 R175	R171-I173 PolarHBondContact O-N 3.05Å; I173-R175 PolarHBondContact O-N 2.91Å
174	P	48.7	Very low	49.1	Very low	113 Å²	113	154.7 Å²	154.7	73%	0.734	75%	0.751	S	S	*	*			trans	-60.2	111.1	-179.7	23.9	-32	0	0	0	106.2	P172 R176	P172-P174 WeakPolarHBondContact O-CD 3.3Å; P174-R176 PolarHBondContact O-N 3.23Å
175	R	45.8	Very low	48.1	Very low	238 Å²	238	160.8 Å²	160.8	90%	0.898	77%	0.774	S	S	*	*			trans	-47.3	116.2	-179.5	-74.2	-173.1	175.9	-159.7	-1.1	106.2	I173 R177	I173-R175 PolarHBondContact O-N 2.91Å; R175-R177 PolarHBondContact O-N 3.13Å
176	R	44.2	Very low	47	Very low	244 Å²	244	157.9 Å²	157.9	92%	0.921	77%	0.771	S	S	*	*			trans	-43.3	117.3	-174.1	-91.5	-174	168	-137	0.7	107	P174 S178	P174-R176 PolarHBondContact O-N 3.23Å; R176-S178 PolarHBondContact O-N 3.32Å
177	R	40.7	Very low	46	Very low	235 Å²	235	167.3 Å²	167.3	89%	0.887	80%	0.798	S	S	*	*			trans	-52	112.5	177	-78.3	-178.8	173.3	175.4	-2.2	105.8	R175 I179	R175-R177 PolarHBondContact O-N 3.13Å; R177-I179 PolarHBondContact O-N 3Å
178	S	40.4	Very low	44.9	Very low	106 Å²	106	160.4 Å²	160.4	74%	0.741	79%	0.787	S	S	*	*			trans	-56.4	118.6	170	32	0	0	0	0	105.7	R176 S180	R176-S178 PolarHBondContact O-N 3.32Å; S178-S180 PolarHBondContact O-N 3.09Å
179	I	47.4	Very low	44.2	Very low	148 Å²	148	166.7 Å²	166.7	76%	0.759	80%	0.798	S	S	*	*			trans	-60.3	108.7	170.7	-101.2	60.3	0	0	0	104.7	R177 P181	R177-I179 PolarHBondContact O-N 3Å; I179-P181 WeakPolarHBondContact O-CD 3.18Å; I179-P181 VanDerWaalsContact O-N 3.09Å
180	S	43.1	Very low	43.6	Very low	103 Å²	103	167.6 Å²	167.6	72%	0.72	80%	0.804	S	S	*	*			trans	-57.4	115.7	176.6	-48.8	0	0	0	0	106.9	S178 R182	S178-S180 PolarHBondContact O-N 3.09Å; S180-R182 PolarHBondContact O-N 2.77Å
181	P	45.9	Very low	42.8	Very low	122 Å²	122	171 Å²	171	79%	0.792	82%	0.817	S	S	*	*			trans	-58	118.2	-176.5	-26.4	36.3	0	0	0	109.2	I179 G183	I179-P181 WeakPolarHBondContact O-CD 3.18Å; I179-P181 VanDerWaalsContact O-N 3.09Å; P181-G183 PolarHBondContact O-N 2.92Å
182	R	45	Very low	42.6	Very low	242 Å²	242	165.1 Å²	165.1	91%	0.913	81%	0.811	S	S	*	*			trans	-63.7	105.5	-177.3	-138.4	-178.4	-172.8	-176.7	2.1	107	S180 R184	S180-R182 PolarHBondContact O-N 2.77Å; R182-R184 PolarHBondContact O-N 2.91Å
183	G	40.2	Very low	42.7	Very low	77 Å²	77	169.9 Å²	169.9	79%	0.794	81%	0.813	S	S	*	*			trans	-62.4	86.9	-166.4	0	0	0	0	0	113.7	P181 Y185	P181-G183 PolarHBondContact O-N 2.92Å; G183-Y185 VanDerWaalsContact C-N 3.26Å; G183-Y185 PolarHBondContact O-N 2.96Å
184	R	39	Very low	42.4	Very low	239 Å²	239	168.5 Å²	168.5	90%	0.902	81%	0.814	S	S	*	*			trans	-70.7	84.8	164.3	-71.6	-170.5	-179.7	-164.2	2	108.3	R182 S186	R182-R184 PolarHBondContact O-N 2.91Å; R184-S186 PolarHBondContact O-N 2.81Å; R184-S186 VanDerWaalsContact O-N 3.09Å
185	Y	38.8	Very low	42.4	Very low	208 Å²	208	173.4 Å²	173.4	82%	0.816	82%	0.82	S	S	*	*			trans	-72.7	99.5	160.2	108.8	-94.9	0	0	0	107	G183 R187	G183-Y185 VanDerWaalsContact C-N 3.26Å; G183-Y185 PolarHBondContact O-N 2.96Å; Y185-R187 HydrophobicContact CD2-CB 4.49Å
186	S	36	Very low	42.3	Very low	107 Å²	107	169.1 Å²	169.1	75%	0.748	82%	0.815	S	S	*	*			trans	-105.1	85.5	170.1	53.5	0	0	0	0	107.9	R184	R184-S186 PolarHBondContact O-N 2.81Å; R184-S186 VanDerWaalsContact O-N 3.09Å
187	R	42.1	Very low	42.3	Very low	225 Å²	225	168.8 Å²	168.8	85%	0.849	81%	0.813	S	S	*	*			trans	-126.2	106.3	168.3	-99	-179.6	176.7	170.3	-0.3	111	Y185	Y185-R187 HydrophobicContact CD2-CB 4.49Å
188	S	33.1	Very low	42.6	Very low	100 Å²	100	170.9 Å²	170.9	70%	0.699	83%	0.829	S	S	*	*			trans	-67.8	172	171.5	51.3	0	0	0	0	112.4
189	R	40	Very low	42.8	Very low	235 Å²	235	174.1 Å²	174.1	89%	0.887	83%	0.833	S	S	*	*			trans	78.8	138.4	-178.8	-49.5	165	-176.3	178.6	-0.7	111.3
190	S	42.1	Very low	42.5	Very low	117 Å²	117	175.5 Å²	175.5	82%	0.818	84%	0.837	S	S	*	*			cis	-128.2	155	23.5	-62	0	0	0	0	114.7
191	R	38	Very low	42.5	Very low	250 Å²	250	179.5 Å²	179.5	94%	0.943	84%	0.844	S	S	*	*			trans	-92.1	131.3	161.9	-78.8	175.9	168	166.9	-6.6	109.2
192	S	48	Very low	42.3	Very low	106 Å²	106	182.9 Å²	182.9	74%	0.741	85%	0.847	S	S	*	*			trans	-153.1	87.8	162.5	49	0	0	0	0	107
193	R	49.8	Very low	42.1	Very low	225 Å²	225	179.2 Å²	179.2	85%	0.849	84%	0.842	S	S	*	*				74.9	104.7	95.9	-87.5	-171.9	168	166.1	-3.5	111.9
194	S	42.6	Very low	42.2	Very low	98 Å²	98	186 Å²	186	69%	0.685	85%	0.846	S	S	*	*			trans	-62.8	156.5	173	-25.8	0	0	0	0	112.2
195	Y	47.4	Very low	42.5	Very low	217 Å²	217	182.2 Å²	182.2	85%	0.851	84%	0.842	S	S	*	*			trans	-140	123.8	139.3	-66.3	-65.1	0	0	0	109.1
196	D	45	Very low	42.7	Very low	148 Å²	148	180.2 Å²	180.2	79%	0.791	84%	0.844	S	S	*	*			trans	-77.4	147.3	168.5	-86.2	-92.7	0	0	0	111.2
197	R	44	Very low	43.3	Very low	236 Å²	236	186.3 Å²	186.3	89%	0.891	85%	0.852	S	S	*	*			trans	-170.3	123.4	131.3	-108.4	169.9	-163.5	-163	4.5	112.9
198	K	47.7	Very low	43.4	Very low	279 Å²	279	182.8 Å²	182.8	100%	1.213	85%	0.852	S	S	*	*			trans	45.5	0	152.6	-66.9	-171	171.7	-170.8	0	117

Retrieved 198 of 198 residues in 34.9 ms (Link to these results)

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