G4LVS0_SCHMA Loading...

Trematode Eggshell Synthesis domain containing protein

AlphaFold DB , UniProt , Accession G4LVS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	55.6	Low	246 Å²	246	163.5 Å²	163.5	100%	1.212	83%	0.826	S	S	*	*				0	104.7	0	-60.4	177	101.8	0	0	107.5
2	K	48.2	Very low	54.6	Low	199 Å²	199	161.6 Å²	161.6	87%	0.865	82%	0.819	S	S	*	*			trans	-127.3	95.4	-167.1	-68.2	174.5	175.9	176.4	0	108.5
3	I	59.3	Low	54.6	Low	160 Å²	160	156.8 Å²	156.8	82%	0.821	81%	0.805	S	S	*	*			trans	-150.3	3	176.6	-128.9	78.4	0	0	0	115.7	T5	I3-T5 PolarHBondContact O-N 3.49Å
4	I	61.1	Low	54.5	Low	160 Å²	160	155.1 Å²	155.1	82%	0.821	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-87	-6.4	-167.6	-64	169.5	0	0	0	114.4	L6	I4-L6 PolarHBondContact O-N 3.38Å
5	T	59.8	Low	54.1	Low	132 Å²	132	153.9 Å²	153.9	81%	0.81	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-90.5	11.3	-168.6	53.9	0	0	0	0	116.7	I3	I3-T5 PolarHBondContact O-N 3.49Å
6	L	54.9	Low	53.3	Low	157 Å²	157	154.4 Å²	154.4	82%	0.822	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-94.7	-9.7	-173.7	-145	90.1	0	0	0	115.9	I4	I4-L6 PolarHBondContact O-N 3.38Å
7	L	57.4	Low	52.5	Low	147 Å²	147	149.6 Å²	149.6	77%	0.77	79%	0.785	S	S	*	*	S	Bend	trans	-99.3	-2.8	-172.6	-88.9	106.9	0	0	0	116.3	F9	L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.33Å
8	S	58.6	Low	51.7	Low	94 Å²	94	149.4 Å²	149.4	66%	0.657	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-2.4	-175.6	59.7	0	0	0	0	115.2
9	F	54.4	Low	50.9	Low	182 Å²	182	149.6 Å²	149.6	80%	0.798	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	0.8	-175.6	-101.8	-85.1	0	0	0	115.6	L7	L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.33Å
10	I	57.6	Low	50.4	Low	136 Å²	136	150.2 Å²	150.2	70%	0.697	78%	0.783	S	S	*	*	S	Bend	trans	-92.9	-9.7	-173.6	-61.8	174.1	0	0	0	113.3
11	F	52.5	Low	50.1	Low	185 Å²	185	148.9 Å²	148.9	81%	0.811	78%	0.777	S	S	*	*			trans	-118.7	64.9	-178	-87.5	-91.5	0	0	0	112.5
12	L	43.9	Very low	49.7	Very low	141 Å²	141	146 Å²	146	74%	0.738	76%	0.76	S	S	*	*			trans	-102	105.2	152	-100.6	85.9	0	0	0	108.5	T14	L12-T14 PolarHBondContact O-N 3.11Å; L12-T14 VanDerWaalsContact O-N 3.11Å
13	P	54.9	Low	49.2	Very low	99 Å²	99	141.5 Å²	141.5	64%	0.643	75%	0.754	S	S	*	*			trans	-72.3	103.6	167.5	30.9	-29.4	0	0	0	107.1	I15	P13-I15 HydrophobicContact CB-CG1 4.28Å; P13-I15 PolarHBondContact O-N 3.05Å
14	T	53	Low	48.3	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	75%	0.746	S	S	*	*			trans	-69.2	84.7	164.1	48.2	0	0	0	0	108	L12 L16	L12-T14 PolarHBondContact O-N 3.11Å; L12-T14 VanDerWaalsContact O-N 3.11Å; T14-L16 PolarHBondContact O-N 2.84Å
15	I	48.6	Very low	47.3	Very low	137 Å²	137	138.4 Å²	138.4	70%	0.703	75%	0.749	S	S	*	*			trans	-76.1	76.2	161.8	-53.7	166.9	0	0	0	105.2	P13 S17	P13-I15 HydrophobicContact CB-CG1 4.28Å; P13-I15 PolarHBondContact O-N 3.05Å; I15-S17 WeakPolarHBondContact CG2-OG 3.5Å
16	L	40.6	Very low	46.5	Very low	162 Å²	162	138 Å²	138	85%	0.848	74%	0.74	S	S	*	*			trans	-108.8	68.3	160	-159.9	67.8	0	0	0	107.2	T14	T14-L16 PolarHBondContact O-N 2.84Å
17	S	39.4	Very low	45.9	Very low	74 Å²	74	135.3 Å²	135.3	52%	0.517	73%	0.734	S	S	.	*			trans	-71.5	144	160	-36.4	0	0	0	0	107.6	I15	I15-S17 WeakPolarHBondContact CG2-OG 3.5Å
18	N	39.2	Very low	45.1	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	73%	0.733	S	S	*	*			trans	83.5	114.7	173.6	-35.2	-27.2	0	0	0	110.9
19	H	37	Very low	44.2	Very low	153 Å²	153	140.5 Å²	140.5	71%	0.708	74%	0.74	S	S	*	*			cis	-153.8	124.9	46.8	-151.1	-99	0	0	0	107.2	D21	H19-D21 IonicContact CE1-OD1 2.8Å; H19-D21 IonicContact CG-OD1 3.65Å; H19-D21 IonicContact ND1-OD1 2.89Å; H19-D21 PolarHBondContact ND1-OD1 2.93Å; H19-D21 PolarHBondContact O-N 2.74Å
20	I	40.4	Very low	43.6	Very low	161 Å²	161	143.3 Å²	143.3	83%	0.826	75%	0.745	S	S	*	*			trans	-73.3	90.2	166.9	-66.7	163.4	0	0	0	104.4	E22	I20-E22 PolarHBondContact O-N 2.98Å
21	D	43.4	Very low	42.8	Very low	123 Å²	123	142.8 Å²	142.8	66%	0.658	74%	0.744	S	S	*	*			trans	-72.6	88.4	166.4	-73.4	-29.3	0	0	0	107.7	H19 S23	H19-D21 IonicContact CE1-OD1 2.8Å; H19-D21 IonicContact CG-OD1 3.65Å; H19-D21 IonicContact ND1-OD1 2.89Å; H19-D21 PolarHBondContact ND1-OD1 2.93Å; H19-D21 PolarHBondContact O-N 2.74Å; D21-S23 PolarHBondContact O-N 2.98Å
22	E	39.9	Very low	42.3	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	74%	0.741	S	S	*	*			trans	-68.9	65.5	167.8	-170.2	179.4	-176.4	0	0	109.9	I20	I20-E22 PolarHBondContact O-N 2.98Å
23	S	37.3	Very low	42.2	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	74%	0.744	S	S	*	*			trans	-171.2	83.1	161.7	60.3	0	0	0	0	110.5	D21	D21-S23 PolarHBondContact O-N 2.98Å
24	S	40.7	Very low	41.6	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	75%	0.746	S	S	*	*			trans	-129.2	105.1	151.7	56.4	0	0	0	0	108	I26	S24-I26 PolarHBondContact O-N 2.77Å
25	D	39.9	Very low	41.1	Very low	162 Å²	162	139.3 Å²	139.3	87%	0.866	74%	0.74	S	S	*	*			trans	-58	79	162.9	-69.7	-52.3	0	0	0	108.5	S27	D25-S27 PolarHBondContact O-N 2.88Å
26	I	43.1	Very low	40.6	Very low	122 Å²	122	138.3 Å²	138.3	63%	0.626	74%	0.74	S	S	*	*			trans	-77	87.7	169.1	-58	178.2	0	0	0	105.6	S24 N28	S24-I26 PolarHBondContact O-N 2.77Å; I26-N28 PolarHBondContact O-N 2.86Å
27	S	41.4	Very low	40.7	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	74%	0.739	S	S	*	*			trans	-46.3	82.1	157.5	57.7	0	0	0	0	109.6	D25 R29	D25-S27 PolarHBondContact O-N 2.88Å; S27-R29 PolarHBondContact O-N 2.86Å
28	N	41.7	Very low	40.8	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	75%	0.748	S	S	*	*			trans	-74.6	88.9	170.2	-86.2	-27.9	0	0	0	107.3	I26 R30	I26-N28 PolarHBondContact O-N 2.86Å; N28-R30 PolarHBondContact O-N 2.74Å; N28-R30 VanDerWaalsContact O-N 3.11Å
29	R	39	Very low	40.8	Very low	212 Å²	212	139.1 Å²	139.1	80%	0.8	74%	0.744	S	S	*	*			trans	-21	110.8	155.2	-71.2	177.3	173.5	-168.1	-2.7	109.5	S27 D31	S27-R29 PolarHBondContact O-N 2.86Å; R29-D31 PolarHBondContact O-N 2.9Å
30	R	41.5	Very low	41.1	Very low	241 Å²	241	138.8 Å²	138.8	91%	0.909	75%	0.747	S	S	*	*			trans	-65.2	93.5	157.4	-66.9	179.7	-159.8	161.9	6.1	104.8	N28 S32	N28-R30 PolarHBondContact O-N 2.74Å; N28-R30 VanDerWaalsContact O-N 3.11Å; R30-S32 PolarHBondContact O-N 3.11Å
31	D	40.8	Very low	40.8	Very low	126 Å²	126	142.3 Å²	142.3	67%	0.674	75%	0.75	S	S	*	*			trans	-64.4	89.6	164.3	-76.1	-22.6	0	0	0	106.2	R29 F33	R29-D31 PolarHBondContact O-N 2.9Å; D31-F33 PolarHBondContact O-N 3.33Å
32	S	42.1	Very low	40.8	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	76%	0.756	S	S	*	*			trans	-60.9	87.2	165	44.5	0	0	0	0	106.7	R30 A34	R30-S32 PolarHBondContact O-N 3.11Å; S32-A34 PolarHBondContact O-N 2.79Å
33	F	43.2	Very low	40.9	Very low	183 Å²	183	137.4 Å²	137.4	80%	0.803	75%	0.752	S	S	*	*			trans	-59.9	97	162.6	-105.7	-91.3	0	0	0	106.5	D31 T35	D31-F33 PolarHBondContact O-N 3.33Å; F33-T35 PolarHBondContact O-N 2.95Å
34	A	41	Very low	40.9	Very low	84 Å²	84	140.3 Å²	140.3	69%	0.694	75%	0.753	S	S	*	*			trans	-61.9	83.7	168.6	0	0	0	0	0	107.6	S32 T36	S32-A34 PolarHBondContact O-N 2.79Å; A34-T36 PolarHBondContact O-N 2.86Å
35	T	42.2	Very low	40.9	Very low	111 Å²	111	145 Å²	145	68%	0.681	76%	0.762	S	S	*	*			trans	-72.8	91.3	158.8	51.4	0	0	0	0	106	F33 M37	F33-T35 PolarHBondContact O-N 2.95Å; T35-M37 PolarHBondContact O-N 3.34Å
36	T	38.5	Very low	41	Very low	116 Å²	116	143.1 Å²	143.1	71%	0.712	75%	0.752	S	S	*	*			trans	-57.9	80	163.4	-51.7	0	0	0	0	107.8	A34 N38	A34-T36 PolarHBondContact O-N 2.86Å; T36-N38 PolarHBondContact O-N 2.8Å; T36-N38 VanDerWaalsContact O-N 3.16Å
37	M	42.5	Very low	40.6	Very low	165 Å²	165	145.8 Å²	145.8	81%	0.813	76%	0.762	S	S	*	*			trans	-78.3	98.2	167.1	-66	-158.1	86.9	0	0	105.7	T35 S39	T35-M37 PolarHBondContact O-N 3.34Å; M37-S39 PolarHBondContact O-N 3.47Å
38	N	42	Very low	40.6	Very low	135 Å²	135	150.4 Å²	150.4	72%	0.722	77%	0.769	S	S	*	*			trans	-45.9	104.7	170	-77.7	-31.1	0	0	0	109	T36 N40	T36-N38 PolarHBondContact O-N 2.8Å; T36-N38 VanDerWaalsContact O-N 3.16Å; N38-N40 PolarHBondContact O-N 3.03Å
39	S	39.6	Very low	40.5	Very low	98 Å²	98	150.1 Å²	150.1	69%	0.685	77%	0.768	S	S	*	*			trans	-73.2	84.2	169.5	77.6	0	0	0	0	107	M37 R41	M37-S39 PolarHBondContact O-N 3.47Å; S39-R41 PolarHBondContact O-N 2.98Å
40	N	42.1	Very low	40.4	Very low	146 Å²	146	147 Å²	147	78%	0.781	77%	0.766	S	S	*	*			trans	-67.6	95.5	159.1	-80.2	-13	0	0	0	106.2	N38 S42	N38-N40 PolarHBondContact O-N 3.03Å; N40-S42 PolarHBondContact O-N 2.87Å
41	R	35.5	Very low	40.3	Very low	235 Å²	235	143 Å²	143	89%	0.887	76%	0.758	S	S	*	*			trans	-53.8	83.7	164.5	-74.3	173.7	168.4	178.2	-4.4	108.3	S39	S39-R41 PolarHBondContact O-N 2.98Å
42	S	42.9	Very low	40.2	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	76%	0.763	S	S	*	*			trans	-87.3	124.5	157.3	55.6	0	0	0	0	107.6	N40 H44	N40-S42 PolarHBondContact O-N 2.87Å; S42-H44 PolarHBondContact O-N 3.1Å
43	A	42.9	Very low	40.2	Very low	93 Å²	93	147.7 Å²	147.7	77%	0.769	76%	0.761	S	S	*	*			trans	-56	129.4	-167.7	0	0	0	0	0	112.7	K45	A43-K45 PolarHBondContact O-N 3.12Å
44	H	36.6	Very low	40.1	Very low	165 Å²	165	149.8 Å²	149.8	76%	0.764	76%	0.764	S	S	*	*			trans	-32.1	102.4	152.4	-170.7	14.3	0	0	0	111	S42	S42-H44 PolarHBondContact O-N 3.1Å
45	K	40.9	Very low	40.2	Very low	193 Å²	193	151.1 Å²	151.1	84%	0.839	77%	0.768	S	S	*	*			trans	-120.8	89.2	166.3	-113.7	-177	-179.3	179.1	0	108.2	A43	A43-K45 PolarHBondContact O-N 3.12Å
46	N	40.6	Very low	40.1	Very low	122 Å²	122	151.7 Å²	151.7	65%	0.652	77%	0.771	S	S	*	*			trans	34.5	89.9	146.5	-58.7	-13.8	0	0	0	116.4	K48	N46-K48 PolarHBondContact O-N 2.84Å; N46-K48 VanDerWaalsContact O-N 3.12Å
47	E	36.3	Very low	40.3	Very low	179 Å²	179	156.1 Å²	156.1	84%	0.836	78%	0.781	S	S	*	*				-2.7	95.7	125.7	-155.6	167.1	-148.1	0	0	113.7
48	K	40.2	Very low	40	Very low	197 Å²	197	151.2 Å²	151.2	86%	0.857	77%	0.773	S	S	*	*			trans	-110.5	95	158.5	-81	-169.6	177.5	-174.7	0	107.5	N46	N46-K48 PolarHBondContact O-N 2.84Å; N46-K48 VanDerWaalsContact O-N 3.12Å
49	N	39.3	Very low	39.6	Very low	133 Å²	133	147.7 Å²	147.7	71%	0.711	77%	0.769	S	S	*	*			trans	19.6	102.9	145	-59.1	-25.7	0	0	0	116.8	E51	N49-E51 PolarHBondContact O-N 2.82Å
50	D	37.5	Very low	39.4	Very low	145 Å²	145	151.8 Å²	151.8	78%	0.775	78%	0.777	S	S	*	*				32.2	74.1	115.8	-67.1	-19	0	0	0	117.8
51	E	39.5	Very low	39.4	Very low	157 Å²	157	152.5 Å²	152.5	73%	0.734	77%	0.773	S	S	*	*			trans	-100	85.1	147.3	-73.5	-171.4	-165.5	0	0	108.6	N49 H53	N49-E51 PolarHBondContact O-N 2.82Å; E51-H53 PolarHBondContact O-N 2.82Å; E51-H53 IonicContact OE2-CE1 3.75Å; E51-H53 IonicContact OE2-NE2 2.74Å
52	K	39.9	Very low	39.5	Very low	181 Å²	181	147.8 Å²	147.8	79%	0.787	77%	0.766	S	S	*	*			trans	-60.7	84.6	159.5	-78.3	175.7	-179.5	164.5	0	107.6	R54	K52-R54 PolarHBondContact O-N 3Å
53	H	41.1	Very low	39.5	Very low	151 Å²	151	147.9 Å²	147.9	70%	0.699	76%	0.757	S	S	*	*			trans	-64.7	90.4	156.6	-67.5	-64.6	0	0	0	106.7	E51 S55	E51-H53 PolarHBondContact O-N 2.82Å; E51-H53 IonicContact OE2-CE1 3.75Å; E51-H53 IonicContact OE2-NE2 2.74Å; H53-S55 PolarHBondContact O-N 3Å
54	R	40.9	Very low	39.3	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	75%	0.747	S	S	*	*			trans	-54.7	90.2	153.4	-77.4	176.3	158.9	171.8	-5.6	105.2	K52 T56	K52-R54 PolarHBondContact O-N 3Å; R54-T56 PolarHBondContact O-N 3.18Å
55	S	42.6	Very low	39.6	Very low	111 Å²	111	150.1 Å²	150.1	78%	0.776	75%	0.751	S	S	*	*			trans	-65.7	87.4	161.8	49.7	0	0	0	0	105.6	H53 F57	H53-S55 PolarHBondContact O-N 3Å; S55-F57 PolarHBondContact O-N 2.84Å
56	T	41.5	Very low	39.7	Very low	123 Å²	123	146.7 Å²	146.7	76%	0.755	74%	0.741	S	S	*	*			trans	-48	118.4	160.9	-59.1	0	0	0	0	105.4	R54 G58	R54-T56 PolarHBondContact O-N 3.18Å; T56-G58 PolarHBondContact O-N 3.05Å
57	F	42.9	Very low	39.6	Very low	210 Å²	210	146.3 Å²	146.3	92%	0.921	75%	0.748	S	S	*	*			trans	-68.1	67.6	172.8	-170	-94.1	0	0	0	107.5	S55 G59	S55-F57 PolarHBondContact O-N 2.84Å; F57-G59 PolarHBondContact O-N 3.01Å
58	G	34.7	Very low	39.6	Very low	62 Å²	62	139.9 Å²	139.9	64%	0.639	73%	0.731	S	S	*	*			trans	-97.4	67.9	177	0	0	0	0	0	107.9	T56 E60	T56-G58 PolarHBondContact O-N 3.05Å; G58-E60 VanDerWaalsContact C-N 3.25Å; G58-E60 PolarHBondContact O-N 3.1Å
59	G	35.2	Very low	39.3	Very low	61 Å²	61	134.7 Å²	134.7	63%	0.629	73%	0.732	S	S	*	*			trans	-70.8	93.5	159.8	0	0	0	0	0	106.8	F57 F61	F57-G59 PolarHBondContact O-N 3.01Å; G59-F61 PolarHBondContact O-N 3.26Å
60	E	35.3	Very low	39.5	Very low	184 Å²	184	132.9 Å²	132.9	86%	0.86	73%	0.731	S	S	*	*			trans	-61.2	102.7	171.7	-173.7	172.6	-171.1	0	0	107.6	G58	G58-E60 VanDerWaalsContact C-N 3.25Å; G58-E60 PolarHBondContact O-N 3.1Å
61	F	41.2	Very low	39.7	Very low	160 Å²	160	133.9 Å²	133.9	70%	0.702	74%	0.736	S	S	*	*			trans	-92	113	170.7	63.9	-81.5	0	0	0	106.8	G59 L63	G59-F61 PolarHBondContact O-N 3.26Å; F61-L63 HydrophobicContact CD2-CD1 4.24Å; F61-L63 HydrophobicContact CD2-CD2 4.09Å; F61-L63 HydrophobicContact CD2-CG 3.71Å; F61-L63 HydrophobicContact CE2-CD1 3.54Å; F61-L63 HydrophobicContact CE2-CD2 4.04Å; F61-L63 HydrophobicContact CE2-CG 3.54Å; F61-L63 HydrophobicContact CZ-CD1 4.4Å; F61-L63 PolarHBondContact O-N 3.03Å
62	D	38.2	Very low	39.9	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	72%	0.724	S	S	*	*			trans	-75.2	96.3	-176.3	-153.6	-7.3	0	0	0	109.1	S64	D62-S64 PolarHBondContact O-N 3.06Å
63	L	42	Very low	39.9	Very low	114 Å²	114	135 Å²	135	60%	0.597	73%	0.728	S	S	*	*			trans	-76	83.9	168.5	-72.3	173.5	0	0	0	107.2	F61 W65	F61-L63 HydrophobicContact CD2-CD1 4.24Å; F61-L63 HydrophobicContact CD2-CD2 4.09Å; F61-L63 HydrophobicContact CD2-CG 3.71Å; F61-L63 HydrophobicContact CE2-CD1 3.54Å; F61-L63 HydrophobicContact CE2-CD2 4.04Å; F61-L63 HydrophobicContact CE2-CG 3.54Å; F61-L63 HydrophobicContact CZ-CD1 4.4Å; F61-L63 PolarHBondContact O-N 3.03Å; L63-W65 VanDerWaalsContact O-CD1 3.31Å; L63-W65 PolarHBondContact O-N 3.03Å
64	S	38.9	Very low	40.1	Very low	82 Å²	82	138.2 Å²	138.2	57%	0.573	74%	0.736	S	S	*	*			trans	-70.7	99.6	165.4	29.4	0	0	0	0	108.3	D62 L66	D62-S64 PolarHBondContact O-N 3.06Å; S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 2.78Å
65	W	43.2	Very low	40.4	Very low	223 Å²	223	131.7 Å²	131.7	85%	0.845	73%	0.731	S	S	*	*			trans	-67.4	93.7	166.4	-71.8	54.1	0	0	0	106.5	L63 S67	L63-W65 VanDerWaalsContact O-CD1 3.31Å; L63-W65 PolarHBondContact O-N 3.03Å; W65-S67 VanDerWaalsContact C-N 3.32Å; W65-S67 PolarHBondContact O-N 3.41Å
66	L	42.3	Very low	40.6	Very low	121 Å²	121	135.8 Å²	135.8	63%	0.634	74%	0.735	S	S	*	*			trans	-60.9	104.4	166	-85.3	84.8	0	0	0	105.7	S64 R72	S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 2.78Å; L66-R72 VanDerWaalsContact CB-CZ 3.41Å; L66-R72 PolarHBondContact O-NH1 2.79Å; L66-R72 PolarHBondContact O-NH2 2.8Å
67	S	37.9	Very low	41.2	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	74%	0.738	S	S	*	*			trans	-94.2	133.6	166.1	-172.6	0	0	0	0	107.1	W65	W65-S67 VanDerWaalsContact C-N 3.32Å; W65-S67 PolarHBondContact O-N 3.41Å
68	G	36.2	Very low	41.6	Very low	45 Å²	45	137.6 Å²	137.6	46%	0.464	74%	0.735	S	S	.	*			trans	138.8	100.1	-178.2	0	0	0	0	0	111.4	S70 R72	G68-S70 PolarHBondContact O-N 3.48Å; G68-R72 PolarHBondContact O-NH2 2.88Å
69	G	34.7	Very low	42.4	Very low	87 Å²	87	143.8 Å²	143.8	90%	0.897	75%	0.747	S	S	*	*			trans	-65.6	112.1	-179.1	0	0	0	0	0	112.1
70	S	43.9	Very low	43	Very low	96 Å²	96	144 Å²	144	67%	0.671	75%	0.749	S	S	*	*	S	Bend	trans	-169.8	118.8	148.8	51.5	0	0	0	0	108.3	G68 R72	G68-S70 PolarHBondContact O-N 3.48Å; S70-R72 WeakPolarHBondContact O-CG 3.41Å; S70-R72 PolarHBondContact O-N 2.77Å
71	N	41.5	Very low	43.7	Very low	165 Å²	165	143 Å²	143	88%	0.882	74%	0.744	S	S	*	*			trans	25.9	65.5	162.3	-69.1	-9.6	0	0	0	116.9	R73	N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.81Å
72	R	44.6	Very low	44.2	Very low	128 Å²	128	140 Å²	140	48%	0.483	75%	0.749	S	S	.	*			trans	-79.3	90	175.6	-63.7	-170.3	-165.1	159.2	5.6	109.4	L66 G68 S70 Y74	L66-R72 VanDerWaalsContact CB-CZ 3.41Å; L66-R72 PolarHBondContact O-NH1 2.79Å; L66-R72 PolarHBondContact O-NH2 2.8Å; G68-R72 PolarHBondContact O-NH2 2.88Å; S70-R72 WeakPolarHBondContact O-CG 3.41Å; S70-R72 PolarHBondContact O-N 2.77Å; R72-Y74 PolarHBondContact O-N 3.25Å
73	R	39.7	Very low	44.7	Very low	233 Å²	233	139.1 Å²	139.1	88%	0.879	74%	0.744	S	S	*	*			trans	-46.9	129.3	156.6	-68.3	178.2	176.8	165.2	-0.8	106.8	N71 A75	N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.81Å; R73-A75 PolarHBondContact O-N 3Å
74	Y	44.4	Very low	45.1	Very low	220 Å²	220	138.3 Å²	138.3	86%	0.863	75%	0.754	S	S	*	*			trans	-55.2	92.9	170.2	-68.7	-91.9	0	0	0	107.5	R72 F76	R72-Y74 PolarHBondContact O-N 3.25Å; Y74-F76 VanDerWaalsContact C-N 3.33Å; Y74-F76 PolarHBondContact O-N 3.01Å
75	A	46.4	Very low	45.6	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	77%	0.768	S	S	*	*			trans	-67.8	105.3	164.5	0	0	0	0	0	103.7	R73 K77	R73-A75 PolarHBondContact O-N 3Å; A75-K77 VanDerWaalsContact C-N 3.28Å; A75-K77 PolarHBondContact O-N 2.91Å
76	F	47.2	Very low	45.8	Very low	196 Å²	196	136 Å²	136	86%	0.86	76%	0.757	S	S	*	*			trans	-51.2	104.6	162.9	-84.8	-95.7	0	0	0	105.4	Y74 E78	Y74-F76 VanDerWaalsContact C-N 3.33Å; Y74-F76 PolarHBondContact O-N 3.01Å; F76-E78 PolarHBondContact O-N 3.07Å
77	K	54.3	Low	46	Very low	189 Å²	189	137.7 Å²	137.7	82%	0.822	77%	0.767	S	S	*	*			trans	-59.5	111.8	162.6	-99.5	-176.6	172.3	-177.5	0	103.4	A75 E79	A75-K77 VanDerWaalsContact C-N 3.28Å; A75-K77 PolarHBondContact O-N 2.91Å; K77-E79 PolarHBondContact O-N 2.83Å
78	E	52.7	Low	46.7	Very low	183 Å²	183	139 Å²	139	86%	0.855	76%	0.758	S	S	*	*			trans	-43.1	130.2	165.8	-73.7	-178.3	155	0	0	106.8	F76 G80	F76-E78 PolarHBondContact O-N 3.07Å; E78-G80 PolarHBondContact O-N 3.26Å
79	E	50.1	Low	47.2	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	77%	0.771	S	S	*	*			trans	-56.4	91	177.8	-65.4	179.3	172.6	0	0	106.7	K77 E81	K77-E79 PolarHBondContact O-N 2.83Å; E79-E81 PolarHBondContact O-N 2.79Å
80	G	49.1	Very low	47.9	Very low	65 Å²	65	148.4 Å²	148.4	67%	0.67	76%	0.763	S	S	*	*			trans	-55.6	114	175.5	0	0	0	0	0	104.9	E78 A82	E78-G80 PolarHBondContact O-N 3.26Å; G80-A82 VanDerWaalsContact C-N 3.28Å; G80-A82 PolarHBondContact O-N 3Å
81	E	49.5	Very low	47.9	Very low	163 Å²	163	151.8 Å²	151.8	76%	0.762	77%	0.768	S	S	*	*			trans	-50.9	99.5	-176.6	-70.9	-178.7	164.8	0	0	107.5	E79 N83	E79-E81 PolarHBondContact O-N 2.79Å; E81-N83 PolarHBondContact O-N 2.89Å
82	A	52.2	Low	48.1	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	75%	0.745	S	S	*	*			trans	-71.8	81.5	176.8	0	0	0	0	0	105.3	G80 A84	G80-A82 VanDerWaalsContact C-N 3.28Å; G80-A82 PolarHBondContact O-N 3Å; A82-A84 PolarHBondContact O-N 2.95Å
83	N	47.6	Very low	48.1	Very low	118 Å²	118	149 Å²	149	63%	0.631	76%	0.757	S	S	*	*			trans	-70.1	72.7	176.6	-84.3	-56.3	0	0	0	107.5	E81 K85	E81-N83 PolarHBondContact O-N 2.89Å; N83-K85 PolarHBondContact O-N 3.3Å
84	A	51.4	Low	48.5	Very low	97 Å²	97	138.9 Å²	138.9	80%	0.802	73%	0.725	S	S	*	*			trans	-67.4	85.5	169.8	0	0	0	0	0	107.7	A82 G86	A82-A84 PolarHBondContact O-N 2.95Å; A84-G86 PolarHBondContact O-N 2.74Å
85	K	48.5	Very low	48.5	Very low	197 Å²	197	134.1 Å²	134.1	86%	0.857	71%	0.71	S	S	*	*			trans	-70.5	71.7	169.7	-74.2	-178.2	178.6	175.4	0	108.9	N83	N83-K85 PolarHBondContact O-N 3.3Å
86	G	47.8	Very low	48.7	Very low	60 Å²	60	133.8 Å²	133.8	62%	0.619	69%	0.69	S	S	*	*			trans	-86.8	122.2	166.6	0	0	0	0	0	109.3	A84 F88	A84-G86 PolarHBondContact O-N 2.74Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 3.12Å
87	N	47.5	Very low	48.7	Very low	157 Å²	157	129 Å²	129	84%	0.84	67%	0.674	S	S	*	*			trans	-66.7	91.4	165	-77.1	-7.9	0	0	0	107.8	N89	N87-N89 PolarHBondContact O-N 2.75Å
88	F	50.7	Low	48.3	Very low	141 Å²	141	123 Å²	123	62%	0.618	66%	0.655	S	S	*	*			trans	-65.4	108.2	173.1	-143.8	-90.7	0	0	0	106.7	G86 R90	G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 3.12Å; F88-R90 HydrophobicContact CB-CG 4.49Å; F88-R90 HydrophobicContact CD1-CG 4.26Å; F88-R90 PolarHBondContact O-N 3.11Å
89	N	47.2	Very low	47.9	Very low	136 Å²	136	118.7 Å²	118.7	73%	0.727	64%	0.638	S	S	*	*			trans	-65.1	80.4	173.7	-76.6	-32.9	0	0	0	108.6	N87 H91	N87-N89 PolarHBondContact O-N 2.75Å; N89-H91 PolarHBondContact O-N 3.16Å
90	R	50.6	Low	47.5	Very low	193 Å²	193	113.2 Å²	113.2	73%	0.728	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	6	177.1	-73.7	-173.4	170.7	-171.2	-0.3	113.1	F88 G92	F88-R90 HydrophobicContact CB-CG 4.49Å; F88-R90 HydrophobicContact CD1-CG 4.26Å; F88-R90 PolarHBondContact O-N 3.11Å; R90-G92 VanDerWaalsContact C-N 3.3Å; R90-G92 PolarHBondContact O-N 3.43Å
91	H	44.1	Very low	47.4	Very low	168 Å²	168	113.1 Å²	113.1	78%	0.778	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	11.5	-170	-60.9	107.2	0	0	0	114.6	N89 R93	N89-H91 PolarHBondContact O-N 3.16Å; H91-R93 PolarHBondContact O-N 2.85Å
92	G	44.1	Very low	47.3	Very low	40 Å²	40	118.2 Å²	118.2	41%	0.412	62%	0.619	S	S	.	*			trans	-77.1	65.4	166.9	0	0	0	0	0	112.2	R90 G94	R90-G92 VanDerWaalsContact C-N 3.3Å; R90-G92 PolarHBondContact O-N 3.43Å; G92-G94 PolarHBondContact O-N 3.34Å
93	R	44.7	Very low	47	Very low	195 Å²	195	119.2 Å²	119.2	74%	0.736	62%	0.621	S	S	*	*			trans	-70.1	63.3	163.2	-75.2	-174.6	175.4	162.9	1.5	109.1	H91 E95	H91-R93 PolarHBondContact O-N 2.85Å; R93-E95 PolarHBondContact O-N 3.45Å
94	G	48.4	Very low	47	Very low	19 Å²	19	116.5 Å²	116.5	20%	0.196	61%	0.611	C	S	.	*			trans	-69.7	131	172.5	0	0	0	0	0	109.4	G92 Y96	G92-G94 PolarHBondContact O-N 3.34Å; G94-Y96 VanDerWaalsContact CA-CZ 3.46Å; G94-Y96 WeakPolarHBondContact O-CD2 3.28Å; G94-Y96 WeakPolarHBondContact O-CE2 3.33Å; G94-Y96 PolarHBondContact O-N 2.94Å; G94-Y96 VanDerWaalsContact O-N 3.12Å
95	E	43.6	Very low	46.9	Very low	120 Å²	120	121.2 Å²	121.2	56%	0.561	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	98.3	164.9	-62.5	-171.8	166.5	0	0	106.7	R93 K107	R93-E95 PolarHBondContact O-N 3.45Å; E95-K107 IonicContact OE2-NZ 3.55Å; E95-K107 PolarHBondContact OE2-NZ 2.97Å
96	Y	51.5	Low	46.9	Very low	84 Å²	84	114.3 Å²	114.3	33%	0.329	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84	-35.4	-162.6	-80	-66.9	0	0	0	115	G94 Y112	G94-Y96 VanDerWaalsContact CA-CZ 3.46Å; G94-Y96 WeakPolarHBondContact O-CD2 3.28Å; G94-Y96 WeakPolarHBondContact O-CE2 3.33Å; G94-Y96 PolarHBondContact O-N 2.94Å; G94-Y96 VanDerWaalsContact O-N 3.12Å; Y96-Y112 HydrophobicContact CD2-CE2 4.14Å; Y96-Y112 HydrophobicContact CE1-CE2 4.27Å; Y96-Y112 VanDerWaalsContact CE1-OH 3.27Å; Y96-Y112 WeakPolarHBondContact CE1-OH 3.43Å; Y96-Y112 HydrophobicContact CE2-CD2 4.25Å; Y96-Y112 AromaticContact CE2-CE2 3.3Å; Y96-Y112 HydrophobicContact CE2-CE2 3.3Å; Y96-Y112 AromaticContact CE2-CZ 3.76Å; Y96-Y112 AromaticContact CZ-CE2 3.41Å; Y96-Y112 VanDerWaalsContact CZ-CE2 3.41Å; Y96-Y112 AromaticContact CZ-CZ 3.77Å; Y96-Y112 VanDerWaalsContact CZ-OH 3.28Å; Y96-Y112 WeakPolarHBondContact OH-CE2 3.43Å
97	D	46.8	Very low	47.1	Very low	95 Å²	95	118.4 Å²	118.4	51%	0.508	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-160.6	140.9	-179.6	-78.6	-60.2	0	0	0	111.5	L99 V108 R118	D97-L99 PolarHBondContact O-N 2.65Å; D97-V108 PolarHBondContact O-N 2.8Å; D97-R118 IonicContact OD2-NH1 3.77Å; D97-R118 PolarHBondContact OD2-NH1 2.77Å
98	S	47.2	Very low	47.3	Very low	63 Å²	63	112 Å²	112	44%	0.441	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108.5	162.4	66.9	0	0	0	0	108.4	S100 F106	S98-S100 PolarHBondContact O-N 2.82Å; S98-F106 CarbonylContact C-O 3.43Å; S98-F106 VanDerWaalsContact CA-O 3.28Å; S98-F106 WeakPolarHBondContact CA-O 3.27Å
99	L	43.7	Very low	47.5	Very low	94 Å²	94	110 Å²	110	49%	0.492	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.9	168.5	-153.6	82.9	0	0	0	107.9	D97 R105 F106 V108	D97-L99 PolarHBondContact O-N 2.65Å; L99-R105 WeakPolarHBondContact O-CA 3.28Å; L99-F106 HydrophobicContact CB-CD1 4.3Å; L99-F106 HydrophobicContact CB-CD2 3.89Å; L99-F106 HydrophobicContact CB-CE1 3.91Å; L99-F106 HydrophobicContact CB-CE2 3.45Å; L99-F106 VanDerWaalsContact CB-CE2 3.45Å; L99-F106 HydrophobicContact CB-CG 4.33Å; L99-F106 HydrophobicContact CB-CZ 3.51Å; L99-F106 HydrophobicContact CD2-CE1 3.9Å; L99-F106 HydrophobicContact CD2-CE2 3.75Å; L99-F106 HydrophobicContact CD2-CZ 3.17Å; L99-F106 HydrophobicContact CG-CE1 4.37Å; L99-F106 HydrophobicContact CG-CE2 4.21Å; L99-F106 HydrophobicContact CG-CZ 3.89Å; L99-F106 PolarHBondContact N-O 2.68Å; L99-F106 WeakPolarHBondContact O-CD1 3.36Å; L99-F106 PolarHBondContact O-N 3.47Å; L99-V108 HydrophobicContact CB-CG2 4.31Å
100	S	40.4	Very low	48.1	Very low	75 Å²	75	104.1 Å²	104.1	52%	0.524	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	109.6	173	-169.4	0	0	0	0	109	S98	S98-S100 PolarHBondContact O-N 2.82Å
101	T	47.7	Very low	48.5	Very low	64 Å²	64	97.6 Å²	97.6	39%	0.393	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	161.2	157.2	55.5	0	0	0	0	108.9	S103 S104 F106	T101-S103 PolarHBondContact O-N 2.9Å; T101-S104 PolarHBondContact N-O 2.87Å; T101-S104 PolarHBondContact O-N 2.96Å; T101-S104 PolarHBondContact OG1-N 3.39Å; T101-S104 PolarHBondContact OG1-O 2.9Å; T101-F106 HydrophobicContact CG2-CE1 3.91Å
102	R	46.7	Very low	49.5	Very low	269 Å²	269	93.7 Å²	93.7	100%	1.015	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-20.3	-174.6	-170.1	162.9	176.6	165.6	-3.1	114.3
103	S	47.8	Very low	50.4	Low	118 Å²	118	93.9 Å²	93.9	83%	0.825	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	3.9	178.3	65.8	0	0	0	0	115	T101	T101-S103 PolarHBondContact O-N 2.9Å
104	S	46.2	Very low	51.7	Low	62 Å²	62	91.2 Å²	91.2	43%	0.434	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	132.7	-176.7	-171.8	0	0	0	0	113.6	T101	T101-S104 PolarHBondContact N-O 2.87Å; T101-S104 PolarHBondContact O-N 2.96Å; T101-S104 PolarHBondContact OG1-N 3.39Å; T101-S104 PolarHBondContact OG1-O 2.9Å
105	R	50.4	Low	53	Low	195 Å²	195	98 Å²	98	74%	0.736	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.5	169.2	-61.1	177.9	110.6	120.2	-0.8	108.8	L99	L99-R105 WeakPolarHBondContact O-CA 3.28Å
106	F	48.6	Very low	53.9	Low	52 Å²	52	94.4 Å²	94.4	23%	0.228	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.8	173.9	56.6	-91.4	0	0	0	110.6	S98 L99 T101 V108	S98-F106 CarbonylContact C-O 3.43Å; S98-F106 VanDerWaalsContact CA-O 3.28Å; S98-F106 WeakPolarHBondContact CA-O 3.27Å; L99-F106 HydrophobicContact CB-CD1 4.3Å; L99-F106 HydrophobicContact CB-CD2 3.89Å; L99-F106 HydrophobicContact CB-CE1 3.91Å; L99-F106 HydrophobicContact CB-CE2 3.45Å; L99-F106 VanDerWaalsContact CB-CE2 3.45Å; L99-F106 HydrophobicContact CB-CG 4.33Å; L99-F106 HydrophobicContact CB-CZ 3.51Å; L99-F106 HydrophobicContact CD2-CE1 3.9Å; L99-F106 HydrophobicContact CD2-CE2 3.75Å; L99-F106 HydrophobicContact CD2-CZ 3.17Å; L99-F106 HydrophobicContact CG-CE1 4.37Å; L99-F106 HydrophobicContact CG-CE2 4.21Å; L99-F106 HydrophobicContact CG-CZ 3.89Å; L99-F106 PolarHBondContact N-O 2.68Å; L99-F106 WeakPolarHBondContact O-CD1 3.36Å; L99-F106 PolarHBondContact O-N 3.47Å; T101-F106 HydrophobicContact CG2-CE1 3.91Å; F106-V108 HydrophobicContact CD2-CG2 3.44Å; F106-V108 VanDerWaalsContact CD2-CG2 3.44Å; F106-V108 HydrophobicContact CE2-CG2 3.42Å; F106-V108 VanDerWaalsContact CE2-CG2 3.42Å; F106-V108 PolarHBondContact O-N 2.91Å
107	K	50.8	Low	54.5	Low	146 Å²	146	98.9 Å²	98.9	64%	0.635	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	119	170.9	-69.9	-176.2	170	-166.8	0	108.8	E95	E95-K107 IonicContact OE2-NZ 3.55Å; E95-K107 PolarHBondContact OE2-NZ 2.97Å
108	V	52.1	Low	55.3	Low	24 Å²	24	100.7 Å²	100.7	15%	0.145	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.3	175.7	-172	0	0	0	0	108.8	D97 L99 F106 F120	D97-V108 PolarHBondContact O-N 2.8Å; L99-V108 HydrophobicContact CB-CG2 4.31Å; F106-V108 HydrophobicContact CD2-CG2 3.44Å; F106-V108 VanDerWaalsContact CD2-CG2 3.44Å; F106-V108 HydrophobicContact CE2-CG2 3.42Å; F106-V108 VanDerWaalsContact CE2-CG2 3.42Å; F106-V108 PolarHBondContact O-N 2.91Å; V108-F120 HydrophobicContact CB-CD1 4.46Å; V108-F120 HydrophobicContact CG1-CB 4.28Å; V108-F120 HydrophobicContact CG1-CD1 3.54Å; V108-F120 HydrophobicContact CG1-CE1 4.32Å; V108-F120 HydrophobicContact CG1-CG 4.3Å
109	K	55.3	Low	55.9	Low	99 Å²	99	100.2 Å²	100.2	43%	0.43	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123	172	-156	166.7	-172.3	162.9	0	108.6	Q121	K109-Q121 PolarHBondContact O-N 2.95Å
110	G	58.7	Low	56.7	Low	11 Å²	11	102.8 Å²	102.8	11%	0.113	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.3	179.3	0	0	0	0	0	111.8	T119	G110-T119 CarbonylContact C-O 3.54Å; G110-T119 WeakPolarHBondContact CA-O 3.16Å
111	S	59.8	Low	57.4	Low	57 Å²	57	105.6 Å²	105.6	40%	0.399	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	159.8	166.9	42.8	0	0	0	0	109.5	T119	S111-T119 PolarHBondContact N-O 3.29Å; S111-T119 WeakPolarHBondContact O-CA 3.24Å; S111-T119 PolarHBondContact O-N 2.86Å; S111-T119 VanDerWaalsContact O-O 3.11Å; S111-T119 PolarHBondContact O-OG1 3.05Å; S111-T119 PolarHBondContact OG-OG1 3.1Å
112	Y	63.9	Low	57.8	Low	86 Å²	86	113.2 Å²	113.2	34%	0.337	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.6	165.4	-68.5	-78.9	0	0	0	110	Y96 G116 R117 R118	Y96-Y112 HydrophobicContact CD2-CE2 4.14Å; Y96-Y112 HydrophobicContact CE1-CE2 4.27Å; Y96-Y112 VanDerWaalsContact CE1-OH 3.27Å; Y96-Y112 WeakPolarHBondContact CE1-OH 3.43Å; Y96-Y112 HydrophobicContact CE2-CD2 4.25Å; Y96-Y112 AromaticContact CE2-CE2 3.3Å; Y96-Y112 HydrophobicContact CE2-CE2 3.3Å; Y96-Y112 AromaticContact CE2-CZ 3.76Å; Y96-Y112 AromaticContact CZ-CE2 3.41Å; Y96-Y112 VanDerWaalsContact CZ-CE2 3.41Å; Y96-Y112 AromaticContact CZ-CZ 3.77Å; Y96-Y112 VanDerWaalsContact CZ-OH 3.28Å; Y96-Y112 WeakPolarHBondContact OH-CE2 3.43Å; Y112-G116 VanDerWaalsContact CD1-O 3.24Å; Y112-G116 WeakPolarHBondContact CD1-O 3.49Å; Y112-R117 WeakPolarHBondContact CA-O 3.4Å; Y112-R118 HydrophobicContact CD1-CG 4.22Å; Y112-R118 HydrophobicContact CE1-CG 3.57Å
113	D	63.6	Low	57.9	Low	44 Å²	44	103 Å²	103	24%	0.235	49%	0.488	C	S	.	.			trans	-72.6	176.6	166.3	73.7	5.3	0	0	0	110.9	Y115 G116 R117 T119	D113-Y115 PolarHBondContact O-N 3.34Å; D113-Y115 VanDerWaalsContact O-N 3.1Å; D113-Y115 VanDerWaalsContact OD1-C 3.24Å; D113-Y115 VanDerWaalsContact OD1-CA 3.28Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.2Å; D113-Y115 WeakPolarHBondContact OD1-CB 2.94Å; D113-Y115 PolarHBondContact OD1-N 3Å; D113-G116 PolarHBondContact O-N 2.95Å; D113-G116 PolarHBondContact OD1-N 2.82Å; D113-R117 PolarHBondContact N-O 2.75Å; D113-R117 WeakPolarHBondContact OD1-CB 3.43Å; D113-R117 PolarHBondContact OD1-N 2.82Å; D113-R117 WeakPolarHBondContact OD2-CB 3.46Å; D113-T119 HydrophobicContact CB-CG2 4.02Å
114	K	71.8	Confident	58	Low	139 Å²	139	107.1 Å²	107.1	60%	0.604	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.4	177.2	60.6	173.3	173.2	167.1	0	114
115	Y	75.6	Confident	58.1	Low	162 Å²	162	109.5 Å²	109.5	64%	0.635	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	6.3	177.8	-53.5	-69.1	0	0	0	112.3	D113 R117	D113-Y115 PolarHBondContact O-N 3.34Å; D113-Y115 VanDerWaalsContact O-N 3.1Å; D113-Y115 VanDerWaalsContact OD1-C 3.24Å; D113-Y115 VanDerWaalsContact OD1-CA 3.28Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.2Å; D113-Y115 WeakPolarHBondContact OD1-CB 2.94Å; D113-Y115 PolarHBondContact OD1-N 3Å; Y115-R117 PolarHBondContact O-N 3.37Å
116	G	62.2	Low	57.9	Low	44 Å²	44	110.3 Å²	110.3	45%	0.454	51%	0.507	S	S	.	.	S	Bend	trans	73.1	11.7	-177.2	0	0	0	0	0	114.2	Y112 D113	Y112-G116 VanDerWaalsContact CD1-O 3.24Å; Y112-G116 WeakPolarHBondContact CD1-O 3.49Å; D113-G116 PolarHBondContact O-N 2.95Å; D113-G116 PolarHBondContact OD1-N 2.82Å
117	R	65.9	Low	57.7	Low	177 Å²	177	117.9 Å²	117.9	67%	0.668	53%	0.534	S	S	*	.			trans	-80	141.4	174.5	-54.3	178.5	174.9	-172	-0.9	109.9	Y112 D113 Y115 T119	Y112-R117 WeakPolarHBondContact CA-O 3.4Å; D113-R117 PolarHBondContact N-O 2.75Å; D113-R117 WeakPolarHBondContact OD1-CB 3.43Å; D113-R117 PolarHBondContact OD1-N 2.82Å; D113-R117 WeakPolarHBondContact OD2-CB 3.46Å; Y115-R117 PolarHBondContact O-N 3.37Å; R117-T119 PolarHBondContact O-N 2.98Å
118	R	62.7	Low	57.4	Low	134 Å²	134	114.2 Å²	114.2	51%	0.506	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123	179.9	-66.5	-179.6	177.9	-152.4	1.1	110.1	D97 Y112	D97-R118 IonicContact OD2-NH1 3.77Å; D97-R118 PolarHBondContact OD2-NH1 2.77Å; Y112-R118 HydrophobicContact CD1-CG 4.22Å; Y112-R118 HydrophobicContact CE1-CG 3.57Å
119	T	59	Low	56.8	Low	52 Å²	52	117.1 Å²	117.1	32%	0.319	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.8	121.9	171.6	60.3	0	0	0	0	109	G110 S111 D113 R117 Q121	G110-T119 CarbonylContact C-O 3.54Å; G110-T119 WeakPolarHBondContact CA-O 3.16Å; S111-T119 PolarHBondContact N-O 3.29Å; S111-T119 WeakPolarHBondContact O-CA 3.24Å; S111-T119 PolarHBondContact O-N 2.86Å; S111-T119 VanDerWaalsContact O-O 3.11Å; S111-T119 PolarHBondContact O-OG1 3.05Å; S111-T119 PolarHBondContact OG-OG1 3.1Å; D113-T119 HydrophobicContact CB-CG2 4.02Å; R117-T119 PolarHBondContact O-N 2.98Å; T119-Q121 PolarHBondContact O-N 2.7Å
120	F	61.2	Low	56.5	Low	149 Å²	149	121 Å²	121	65%	0.654	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.4	120.3	176	-56.6	-68.5	0	0	0	108.6	V108 Y122	V108-F120 HydrophobicContact CB-CD1 4.46Å; V108-F120 HydrophobicContact CG1-CB 4.28Å; V108-F120 HydrophobicContact CG1-CD1 3.54Å; V108-F120 HydrophobicContact CG1-CE1 4.32Å; V108-F120 HydrophobicContact CG1-CG 4.3Å; F120-Y122 PolarHBondContact O-N 3.04Å
121	Q	56.2	Low	55.8	Low	133 Å²	133	131.8 Å²	131.8	62%	0.621	63%	0.627	S	S	*	*			trans	-78.2	120.6	167.1	-161.8	173.8	12.9	0	0	106.3	K109 T119 S123	K109-Q121 PolarHBondContact O-N 2.95Å; T119-Q121 PolarHBondContact O-N 2.7Å; Q121-S123 PolarHBondContact O-N 3.41Å
122	Y	55.3	Low	55.2	Low	224 Å²	224	139.1 Å²	139.1	88%	0.878	65%	0.651	S	S	*	*			trans	-50.4	109.2	177.8	-63.4	-79.3	0	0	0	109.2	F120 K124	F120-Y122 PolarHBondContact O-N 3.04Å; Y122-K124 PolarHBondContact O-N 3.18Å
123	S	49.1	Very low	54.4	Low	56 Å²	56	139.4 Å²	139.4	39%	0.392	67%	0.666	S	S	.	*			trans	-62.7	128	-179.4	52.7	0	0	0	0	108.4	Q121 L125	Q121-S123 PolarHBondContact O-N 3.41Å; S123-L125 PolarHBondContact O-N 3.01Å; S123-L125 WeakPolarHBondContact OG-CD1 3.28Å; S123-L125 WeakPolarHBondContact OG-CG 3.41Å
124	K	50.6	Low	53.3	Low	204 Å²	204	147.2 Å²	147.2	89%	0.887	69%	0.694	S	S	*	*			trans	-68.4	53.1	169.8	-62.6	-175.6	-178.1	-178.7	0	110.6	Y122 K126	Y122-K124 PolarHBondContact O-N 3.18Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K124-K126 PolarHBondContact O-N 2.98Å
125	L	47	Very low	51.9	Low	111 Å²	111	146.1 Å²	146.1	58%	0.581	70%	0.704	S	S	*	*			trans	-57.4	103.6	174.5	-71.8	168.5	0	0	0	106.5	S123 R127	S123-L125 PolarHBondContact O-N 3.01Å; S123-L125 WeakPolarHBondContact OG-CD1 3.28Å; S123-L125 WeakPolarHBondContact OG-CG 3.41Å; L125-R127 PolarHBondContact O-N 3.12Å
126	K	46	Very low	50.6	Low	212 Å²	212	147.4 Å²	147.4	92%	0.922	71%	0.713	S	S	*	*			trans	-63.4	81.9	170.4	-77.1	-170.2	174.6	-175.4	0	106.6	K124 G128	K124-K126 VanDerWaalsContact C-N 3.34Å; K124-K126 PolarHBondContact O-N 2.98Å; K126-G128 PolarHBondContact O-N 2.84Å; K126-G128 VanDerWaalsContact O-N 3.1Å
127	R	45.2	Very low	49.7	Very low	211 Å²	211	156.1 Å²	156.1	80%	0.796	73%	0.732	S	S	*	*			trans	-67.7	108.5	171.2	-107	-179.8	163.8	-180	-4.7	106.7	L125 G129	L125-R127 PolarHBondContact O-N 3.12Å; R127-G129 PolarHBondContact O-N 2.83Å; R127-G129 VanDerWaalsContact O-N 3.12Å
128	G	44.6	Very low	48.7	Very low	70 Å²	70	156 Å²	156	72%	0.722	74%	0.736	S	S	*	*	S	Bend	trans	-47.2	118.1	177.6	0	0	0	0	0	111.3	K126 K130	K126-G128 PolarHBondContact O-N 2.84Å; K126-G128 VanDerWaalsContact O-N 3.1Å; G128-K130 PolarHBondContact O-N 2.81Å
129	G	39.8	Very low	47.7	Very low	84 Å²	84	153.9 Å²	153.9	87%	0.866	74%	0.742	S	S	*	*	S	Bend	trans	64.9	-7.7	160.2	0	0	0	0	0	119.7	R127	R127-G129 PolarHBondContact O-N 2.83Å; R127-G129 VanDerWaalsContact O-N 3.12Å
130	K	48.8	Very low	47.2	Very low	182 Å²	182	159.6 Å²	159.6	79%	0.791	76%	0.763	S	S	*	*			trans	-100.7	114.4	-172.9	-64.9	-168.8	-179.5	-175.8	0	112.3	G128	G128-K130 PolarHBondContact O-N 2.81Å
131	R	44.6	Very low	46.5	Very low	236 Å²	236	159.2 Å²	159.2	89%	0.891	77%	0.768	S	S	*	*			trans	-47.3	135	-179.9	-60.9	168.9	95.6	135.3	-1	111.3	S133	R131-S133 PolarHBondContact O-N 2.82Å; R131-S133 PolarHBondContact O-OG 3.22Å
132	K	45.7	Very low	46	Very low	211 Å²	211	160 Å²	160	92%	0.917	78%	0.776	S	S	*	*			trans	-32	102.8	178.3	-70.5	173.6	173.6	176.6	0	112.8
133	S	47.1	Very low	45.6	Very low	93 Å²	93	157.9 Å²	157.9	65%	0.65	77%	0.772	S	S	*	*			trans	-108	97.1	166.1	-1.9	0	0	0	0	107.4	R131	R131-S133 PolarHBondContact O-N 2.82Å; R131-S133 PolarHBondContact O-OG 3.22Å
134	Y	41.7	Very low	45.5	Very low	208 Å²	208	160.4 Å²	160.4	82%	0.816	78%	0.781	S	S	*	*			trans	21.5	126.9	162.5	-52.3	-82.9	0	0	0	118.3	K136	Y134-K136 PolarHBondContact O-N 2.75Å
135	S	42.2	Very low	45.5	Very low	116 Å²	116	158.4 Å²	158.4	81%	0.811	78%	0.778	S	S	*	*			trans	-41.7	99.2	159.8	46.9	0	0	0	0	109.6	R137	S135-R137 PolarHBondContact O-N 2.81Å
136	K	48.3	Very low	46	Very low	189 Å²	189	159.2 Å²	159.2	82%	0.822	78%	0.783	S	S	*	*			trans	-68.2	94.6	172.9	-163.4	163.4	-174.1	168.5	0	105.1	Y134 F138	Y134-K136 PolarHBondContact O-N 2.75Å; K136-F138 PolarHBondContact O-N 3.46Å
137	R	41.9	Very low	45.9	Very low	227 Å²	227	152.1 Å²	152.1	86%	0.857	77%	0.77	S	S	*	*			trans	-51.8	116.5	166.3	-111.7	176.5	171.9	165.2	-3.6	104.8	S135 S139	S135-R137 PolarHBondContact O-N 2.81Å; R137-S139 PolarHBondContact O-N 3.05Å
138	F	46.4	Very low	46.1	Very low	173 Å²	173	149.5 Å²	149.5	76%	0.759	77%	0.772	S	S	*	*			trans	-65.6	94.8	166.9	-65.8	-82.7	0	0	0	105.5	K136 F140	K136-F138 PolarHBondContact O-N 3.46Å; F138-F140 HydrophobicContact CB-CD2 4.46Å; F138-F140 HydrophobicContact CB-CE2 4.2Å; F138-F140 VanDerWaalsContact O-CD2 3.28Å; F138-F140 WeakPolarHBondContact O-CD2 3.48Å; F138-F140 PolarHBondContact O-N 2.8Å; F138-F140 VanDerWaalsContact O-N 3.11Å
139	S	40	Very low	46.3	Very low	91 Å²	91	151.7 Å²	151.7	64%	0.636	77%	0.771	S	S	*	*			trans	-62.9	111.1	162.4	-67.2	0	0	0	0	105.5	R137 D141	R137-S139 PolarHBondContact O-N 3.05Å; S139-D141 PolarHBondContact O-N 2.78Å
140	F	48.5	Very low	46.6	Very low	171 Å²	171	153.2 Å²	153.2	75%	0.75	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	20.4	-178.3	-83.8	-86.6	0	0	0	113.3	F138	F138-F140 HydrophobicContact CB-CD2 4.46Å; F138-F140 HydrophobicContact CB-CE2 4.2Å; F138-F140 VanDerWaalsContact O-CD2 3.28Å; F138-F140 WeakPolarHBondContact O-CD2 3.48Å; F138-F140 PolarHBondContact O-N 2.8Å; F138-F140 VanDerWaalsContact O-N 3.11Å
141	D	48.3	Very low	46.6	Very low	141 Å²	141	152.2 Å²	152.2	75%	0.754	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	11.2	-171	-65.6	-25.4	0	0	0	114.3	S139 F143	S139-D141 PolarHBondContact O-N 2.78Å; D141-F143 PolarHBondContact O-N 2.8Å
142	N	44.3	Very low	46.5	Very low	149 Å²	149	149.7 Å²	149.7	80%	0.797	76%	0.756	S	S	*	*			trans	-91.5	46.6	169.6	-68.6	56.9	0	0	0	110.7	N144	N142-N144 PolarHBondContact O-N 2.69Å
143	F	47	Very low	46.5	Very low	181 Å²	181	148.9 Å²	148.9	79%	0.794	75%	0.747	S	S	*	*			trans	-69.5	105.5	153.1	-83.9	-87	0	0	0	106.1	D141 I145	D141-F143 PolarHBondContact O-N 2.8Å; F143-I145 PolarHBondContact O-N 2.7Å
144	N	48	Very low	46.4	Very low	108 Å²	108	153 Å²	153	58%	0.578	75%	0.754	S	S	*	*			trans	-60.7	110.8	173.3	-164.4	2	0	0	0	107.4	N142 N146	N142-N144 PolarHBondContact O-N 2.69Å; N144-N146 PolarHBondContact O-N 2.71Å; N144-N146 PolarHBondContact OD1-OD1 2.71Å
145	I	50.9	Low	46.6	Very low	162 Å²	162	148.2 Å²	148.2	83%	0.831	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-16.4	179.5	-64.2	169.2	0	0	0	110.9	F143 G147	F143-I145 PolarHBondContact O-N 2.7Å; I145-G147 PolarHBondContact O-N 3.06Å
146	N	55.7	Low	46.9	Very low	129 Å²	129	151.3 Å²	151.3	69%	0.69	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	19.6	-178.3	-60	27.8	0	0	0	114.9	N144 N148	N144-N146 PolarHBondContact O-N 2.71Å; N144-N146 PolarHBondContact OD1-OD1 2.71Å; N146-N148 VanDerWaalsContact C-N 3.25Å; N146-N148 PolarHBondContact O-N 3.02Å
147	G	45.9	Very low	46.5	Very low	62 Å²	62	145.3 Å²	145.3	64%	0.639	75%	0.746	S	S	*	*	S	Bend	trans	73.7	-8.5	147.4	0	0	0	0	0	118.5	I145	I145-G147 PolarHBondContact O-N 3.06Å
148	N	48.1	Very low	46.9	Very low	157 Å²	157	143 Å²	143	84%	0.84	75%	0.749	S	S	*	*			trans	-124.3	62.8	-176.3	-78.1	-10.7	0	0	0	112.6	N146	N146-N148 VanDerWaalsContact C-N 3.25Å; N146-N148 PolarHBondContact O-N 3.02Å
149	V	49.3	Very low	46.9	Very low	116 Å²	116	137.6 Å²	137.6	70%	0.703	74%	0.743	S	S	*	*			trans	-104.8	95.2	161.6	-178.2	0	0	0	0	108.1	Y151	V149-Y151 PolarHBondContact O-N 3.27Å
150	S	45.9	Very low	47.4	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	75%	0.754	S	S	*	*			trans	-67.5	82	168.8	59.8	0	0	0	0	109.4	K152	S150-K152 VanDerWaalsContact C-N 3.33Å; S150-K152 PolarHBondContact O-N 3.2Å
151	Y	48.5	Very low	47.4	Very low	160 Å²	160	137.6 Å²	137.6	63%	0.627	75%	0.753	S	S	*	*			trans	-73.5	89.4	173.1	-178.1	-104.5	0	0	0	109.2	V149 R153	V149-Y151 PolarHBondContact O-N 3.27Å; Y151-R153 HydrophobicContact CD1-CB 3.99Å; Y151-R153 HydrophobicContact CD1-CG 4.34Å; Y151-R153 HydrophobicContact CE1-CB 3.57Å; Y151-R153 HydrophobicContact CE1-CG 3.44Å; Y151-R153 VanDerWaalsContact CE1-CG 3.44Å; Y151-R153 PolarHBondContact O-N 2.66Å
152	K	42.3	Very low	47.3	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	76%	0.76	S	S	*	*			trans	-77.1	87.4	174.8	-162.9	172.6	-172.7	172.5	0	109.2	S150 K154	S150-K152 VanDerWaalsContact C-N 3.33Å; S150-K152 PolarHBondContact O-N 3.2Å; K152-K154 PolarHBondContact O-N 3.19Å
153	R	46	Very low	47.6	Very low	194 Å²	194	143.1 Å²	143.1	73%	0.732	76%	0.76	S	S	*	*			trans	-70	95.9	172.3	-147.5	-173.8	-54.3	-125.8	1.3	107.9	Y151 S155	Y151-R153 HydrophobicContact CD1-CB 3.99Å; Y151-R153 HydrophobicContact CD1-CG 4.34Å; Y151-R153 HydrophobicContact CE1-CB 3.57Å; Y151-R153 HydrophobicContact CE1-CG 3.44Å; Y151-R153 VanDerWaalsContact CE1-CG 3.44Å; Y151-R153 PolarHBondContact O-N 2.66Å; R153-S155 PolarHBondContact O-N 2.91Å; R153-S155 VanDerWaalsContact O-N 3.1Å
154	K	45.2	Very low	47.5	Very low	181 Å²	181	142 Å²	142	79%	0.787	76%	0.762	S	S	*	*			trans	-71.3	99.3	164.5	-80.3	-172.7	176.1	-174.7	0	106.8	K152 M156	K152-K154 PolarHBondContact O-N 3.19Å; K154-M156 PolarHBondContact O-N 3.01Å
155	S	46.6	Very low	47.3	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	76%	0.762	S	S	*	*			trans	-62.7	109	161.4	55.7	0	0	0	0	106.5	R153 G157	R153-S155 PolarHBondContact O-N 2.91Å; R153-S155 VanDerWaalsContact O-N 3.1Å; S155-G157 PolarHBondContact O-N 3.02Å
156	M	47.6	Very low	47	Very low	181 Å²	181	141.3 Å²	141.3	89%	0.892	76%	0.761	S	S	*	*			trans	-57.3	113	157.1	-79.3	176.2	134.8	0	0	104.6	K154 L158	K154-M156 PolarHBondContact O-N 3.01Å; M156-L158 PolarHBondContact O-N 2.76Å
157	G	39.9	Very low	46.8	Very low	63 Å²	63	143.4 Å²	143.4	65%	0.649	77%	0.766	S	S	*	*			trans	-47.8	133.4	177.8	0	0	0	0	0	108.3	S155 G159	S155-G157 PolarHBondContact O-N 3.02Å; G157-G159 PolarHBondContact O-N 2.9Å
158	L	50.8	Low	47.1	Very low	178 Å²	178	146.2 Å²	146.2	93%	0.932	77%	0.77	S	S	*	*			trans	-45.8	119.5	165.4	-71.6	144.1	0	0	0	105.1	M156	M156-L158 PolarHBondContact O-N 2.76Å
159	G	46.1	Very low	47.1	Very low	61 Å²	61	148.7 Å²	148.7	63%	0.629	77%	0.774	S	S	*	*			trans	-47.2	151.6	179.9	0	0	0	0	0	109.3	G157 N161	G157-G159 PolarHBondContact O-N 2.9Å; G159-N161 PolarHBondContact O-N 3.04Å
160	S	49.9	Very low	47.2	Very low	123 Å²	123	148.9 Å²	148.9	86%	0.86	77%	0.769	S	S	*	*	S	Bend	trans	-62.3	26.4	-173	57.3	0	0	0	0	115.7	R162	S160-R162 VanDerWaalsContact C-N 3.32Å; S160-R162 PolarHBondContact O-N 2.83Å
161	N	49.6	Very low	48	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	77%	0.771	S	S	*	*			trans	-64.6	98.7	162.8	-90.7	8.9	0	0	0	107.8	G159 E163	G159-N161 PolarHBondContact O-N 3.04Å; N161-E163 PolarHBondContact O-N 3.3Å
162	R	46.5	Very low	48	Very low	236 Å²	236	152.5 Å²	152.5	89%	0.891	77%	0.774	S	S	*	*			trans	-56.5	83.4	159	-66.8	175.6	176.3	171.3	-2.3	107.6	S160 N164	S160-R162 VanDerWaalsContact C-N 3.32Å; S160-R162 PolarHBondContact O-N 2.83Å; R162-N164 VanDerWaalsContact C-N 3.29Å; R162-N164 PolarHBondContact O-N 3.14Å
163	E	50.1	Low	48.6	Very low	170 Å²	170	148.8 Å²	148.8	79%	0.794	77%	0.772	S	S	*	*			trans	-69.8	96.3	164.5	-74	-177.4	178.2	0	0	106.1	N161 A165	N161-E163 PolarHBondContact O-N 3.3Å; E163-A165 PolarHBondContact O-N 3Å
164	N	43.6	Very low	48.8	Very low	159 Å²	159	147.6 Å²	147.6	85%	0.85	77%	0.772	S	S	*	*			trans	-66.2	81.9	168.9	-93	-9.3	0	0	0	108	R162 K166	R162-N164 VanDerWaalsContact C-N 3.29Å; R162-N164 PolarHBondContact O-N 3.14Å; N164-K166 PolarHBondContact O-N 3.02Å
165	A	45.1	Very low	49.1	Very low	68 Å²	68	146.3 Å²	146.3	56%	0.562	77%	0.774	S	S	*	*			trans	-68.7	99.9	168.1	0	0	0	0	0	107.9	E163 H167	E163-A165 PolarHBondContact O-N 3Å; A165-H167 PolarHBondContact O-CD2 3.02Å; A165-H167 VanDerWaalsContact O-CD2 3.29Å; A165-H167 PolarHBondContact O-N 3.03Å
166	K	43.7	Very low	48.9	Very low	186 Å²	186	146 Å²	146	81%	0.809	77%	0.771	S	S	*	*			trans	-75.7	103.9	174.7	-149.8	-180	-172.5	-172	0	107.7	N164	N164-K166 PolarHBondContact O-N 3.02Å
167	H	53.2	Low	48.8	Very low	173 Å²	173	144 Å²	144	80%	0.801	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-82.5	117.5	175.3	-64.1	-80.9	0	0	0	109.3	A165	A165-H167 PolarHBondContact O-CD2 3.02Å; A165-H167 VanDerWaalsContact O-CD2 3.29Å; A165-H167 PolarHBondContact O-N 3.03Å
168	V	50.7	Low	48.9	Very low	121 Å²	121	146.5 Å²	146.5	73%	0.733	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-92.4	118.5	172	-178.2	0	0	0	0	108.3	I170	V168-I170 HydrophobicContact CG1-CG1 4.26Å
169	K	49.2	Very low	48.5	Very low	209 Å²	209	145.2 Å²	145.2	91%	0.909	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-89.6	120.8	170.5	-113.8	-179.9	-179.1	178.7	0	108.3
170	I	50.2	Low	48.1	Very low	120 Å²	120	145.1 Å²	145.1	62%	0.615	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-101	120.2	174.4	-54.6	173.1	0	0	0	107.3	V168 F172	V168-I170 HydrophobicContact CG1-CG1 4.26Å; I170-F172 HydrophobicContact CB-CE2 4.2Å; I170-F172 HydrophobicContact CB-CZ 4.39Å; I170-F172 HydrophobicContact CG2-CD2 4.39Å; I170-F172 HydrophobicContact CG2-CE1 4.14Å; I170-F172 HydrophobicContact CG2-CE2 3.83Å; I170-F172 HydrophobicContact CG2-CZ 3.69Å
171	K	63.8	Low	47.5	Very low	194 Å²	194	149 Å²	149	84%	0.843	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-96.4	117	176.2	-166.7	179.5	-178.9	-173.9	0	108.3
172	F	48.5	Very low	47.2	Very low	158 Å²	158	147.8 Å²	147.8	69%	0.693	77%	0.769	S	S	*	*			trans	-90.8	114.6	173.6	-63.5	-84.4	0	0	0	108.6	I170	I170-F172 HydrophobicContact CB-CE2 4.2Å; I170-F172 HydrophobicContact CB-CZ 4.39Å; I170-F172 HydrophobicContact CG2-CD2 4.39Å; I170-F172 HydrophobicContact CG2-CE1 4.14Å; I170-F172 HydrophobicContact CG2-CE2 3.83Å; I170-F172 HydrophobicContact CG2-CZ 3.69Å
173	S	54.2	Low	46.8	Very low	106 Å²	106	142 Å²	142	74%	0.741	77%	0.765	S	S	*	*			trans	-90.8	102.4	165.3	-54.2	0	0	0	0	106.5
174	F	50.4	Low	46.2	Very low	168 Å²	168	143.9 Å²	143.9	74%	0.737	77%	0.77	S	S	*	*			trans	-82.8	121.2	158.9	30.7	-86.5	0	0	0	105.4	S176	F174-S176 PolarHBondContact O-N 3.11Å
175	D	51.4	Low	45.9	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	76%	0.762	S	S	*	*			trans	-61.2	93.8	162.4	-71.1	-34.8	0	0	0	105	D177	D175-D177 PolarHBondContact O-N 2.72Å
176	S	42.7	Very low	45.4	Very low	99 Å²	99	144 Å²	144	69%	0.692	78%	0.775	S	S	*	*			trans	-56.9	117.9	176	56	0	0	0	0	105.8	F174 S178	F174-S176 PolarHBondContact O-N 3.11Å; S176-S178 PolarHBondContact O-N 2.98Å
177	D	45	Very low	45.1	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	77%	0.77	S	S	*	*			trans	-37.8	128.2	-178.7	-71.2	-56.2	0	0	0	109.8	D175 D179	D175-D177 PolarHBondContact O-N 2.72Å; D177-D179 PolarHBondContact O-N 2.94Å
178	S	42.8	Very low	44.3	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	77%	0.774	S	S	*	*			trans	-58	89.7	166.8	61.1	0	0	0	0	107.3	S176 G180	S176-S178 PolarHBondContact O-N 2.98Å; S178-G180 PolarHBondContact O-N 2.78Å
179	D	42.4	Very low	43.9	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	77%	0.772	S	S	*	*			trans	-70.8	63.4	161.7	-78.9	-24.1	0	0	0	107.3	D177 K181	D177-D179 PolarHBondContact O-N 2.94Å; D179-K181 PolarHBondContact O-N 2.64Å
180	G	37.6	Very low	43.3	Very low	59 Å²	59	140.2 Å²	140.2	61%	0.608	77%	0.77	S	S	*	*			trans	-67.8	85.4	166.1	0	0	0	0	0	107.7	S178 S182	S178-G180 PolarHBondContact O-N 2.78Å; G180-S182 PolarHBondContact O-N 2.86Å; G180-S182 VanDerWaalsContact O-N 3.11Å
181	K	37.6	Very low	42.5	Very low	203 Å²	203	139.5 Å²	139.5	88%	0.883	78%	0.776	S	S	*	*			trans	-9.9	102.6	155.6	-60.1	177.9	179.4	178.8	0	113.5	D179	D179-K181 PolarHBondContact O-N 2.64Å
182	S	43.1	Very low	41.2	Very low	114 Å²	114	142 Å²	142	80%	0.797	78%	0.78	S	S	*	*			trans	-133.6	59.2	159.7	66.8	0	0	0	0	110.7	G180 K184	G180-S182 PolarHBondContact O-N 2.86Å; G180-S182 VanDerWaalsContact O-N 3.11Å; S182-K184 VanDerWaalsContact C-N 3.31Å; S182-K184 PolarHBondContact O-N 2.96Å
183	S	37.1	Very low	40.6	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	78%	0.783	S	S	*	*			trans	-70.4	87.9	159.7	59.5	0	0	0	0	109.1
184	K	39	Very low	39.7	Very low	210 Å²	210	145.3 Å²	145.3	91%	0.913	79%	0.788	S	S	*	*			trans	-164.9	124.7	162.7	-115.4	166.1	-175.5	177.3	0	111.8	S182	S182-K184 VanDerWaalsContact C-N 3.31Å; S182-K184 PolarHBondContact O-N 2.96Å
185	G	35.4	Very low	38.8	Very low	66 Å²	66	149 Å²	149	68%	0.68	80%	0.797	S	S	*	*			trans	105.2	73.4	152.6	0	0	0	0	0	115.9	T187	G185-T187 VanDerWaalsContact C-N 3.35Å; G185-T187 PolarHBondContact O-N 2.95Å; G185-T187 VanDerWaalsContact O-N 3.12Å
186	I	36	Very low	38.3	Very low	162 Å²	162	148.5 Å²	148.5	83%	0.831	79%	0.794	S	S	*	*			trans	-68.9	98	151.5	-61.5	166.2	0	0	0	106.1
187	T	37.7	Very low	38	Very low	115 Å²	115	148.3 Å²	148.3	71%	0.706	80%	0.799	S	S	*	*			trans	-129	92	163.8	56.1	0	0	0	0	108.6	G185 S189	G185-T187 VanDerWaalsContact C-N 3.35Å; G185-T187 PolarHBondContact O-N 2.95Å; G185-T187 VanDerWaalsContact O-N 3.12Å; T187-S189 VanDerWaalsContact C-N 3.32Å; T187-S189 PolarHBondContact O-N 2.94Å
188	N	35	Very low	37.4	Very low	165 Å²	165	145.5 Å²	145.5	88%	0.882	80%	0.803	S	S	*	*			trans	-67.4	88.5	167.6	-76.6	-23.3	0	0	0	109.1
189	S	43.3	Very low	37.1	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	81%	0.805	S	S	*	*			trans	-117.3	99.1	168.9	56.5	0	0	0	0	110.4	T187	T187-S189 VanDerWaalsContact C-N 3.32Å; T187-S189 PolarHBondContact O-N 2.94Å
190	R	35.8	Very low	36.9	Very low	233 Å²	233	149.3 Å²	149.3	88%	0.879	80%	0.803	S	S	*	*			trans	24.4	108.4	141.7	-77.8	175.3	167.3	156.5	-4.4	117.3
191	S	33.2	Very low	37	Very low	105 Å²	105	154.9 Å²	154.9	73%	0.734	81%	0.813	S	S	*	*				32	107.4	123.4	38.9	0	0	0	0	117.5
192	R	37.3	Very low	37	Very low	245 Å²	245	152.2 Å²	152.2	93%	0.925	81%	0.809	S	S	*	*			trans	-160.4	125.8	135.7	-103.5	155.3	-169.2	174	3.5	110.3
193	S	34.8	Very low	36.9	Very low	108 Å²	108	152.9 Å²	152.9	76%	0.755	80%	0.803	S	S	*	*			trans	-46.4	138.3	166.4	54.1	0	0	0	0	112.7
194	R	36.2	Very low	36.9	Very low	226 Å²	226	152.3 Å²	152.3	85%	0.853	80%	0.799	S	S	*	*				-164.6	116.1	126.2	-101.9	166.6	-165.9	-170.3	2.1	108	D196	R194-D196 PolarHBondContact O-N 3.12Å
195	R	32.3	Very low	36.9	Very low	245 Å²	245	152.8 Å²	152.8	93%	0.925	80%	0.795	S	S	*	*			trans	-67.9	117.7	158.4	-64.6	171.4	-167.3	141.7	2.4	104.6
196	D	39.1	Very low	37.3	Very low	144 Å²	144	160.6 Å²	160.6	77%	0.77	80%	0.804	S	S	*	*			trans	-150.9	138.5	157.9	-83.6	-45	0	0	0	108.2	R194	R194-D196 PolarHBondContact O-N 3.12Å
197	A	38.1	Very low	37.6	Very low	96 Å²	96	160 Å²	160	79%	0.793	80%	0.802	S	S	*	*			trans	4.7	124.2	168.7	0	0	0	0	0	117.1
198	G	31.6	Very low	37.9	Very low	79 Å²	79	159.6 Å²	159.6	81%	0.814	81%	0.805	S	S	*	*				81.4	65.3	57.9	0	0	0	0	0	109.4
199	E	37.4	Very low	38.4	Very low	182 Å²	182	157.2 Å²	157.2	85%	0.85	80%	0.801	S	S	*	*			trans	-137.4	105.8	170.9	-96.8	176.6	-178.5	0	0	110.1
200	E	38.4	Very low	38.3	Very low	166 Å²	166	159.7 Å²	159.7	78%	0.776	81%	0.805	S	S	*	*			trans	45	90.8	141	-61.9	-175.9	161.8	0	0	118.1	N202	E200-N202 VanDerWaalsContact C-N 3.34Å; E200-N202 PolarHBondContact O-N 2.81Å
201	E	38.8	Very low	38.7	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	80%	0.802	S	S	*	*			trans	-61.6	97	155.9	-78.5	-172.2	159.7	0	0	109.6	N203	E201-N203 VanDerWaalsContact C-N 3.27Å; E201-N203 PolarHBondContact O-N 3.26Å
202	N	38.4	Very low	38.8	Very low	147 Å²	147	157.8 Å²	157.8	79%	0.786	81%	0.806	S	S	*	*			trans	-61	89.9	163.7	-81.1	-64.7	0	0	0	109.3	E200 S204	E200-N202 VanDerWaalsContact C-N 3.34Å; E200-N202 PolarHBondContact O-N 2.81Å; N202-S204 PolarHBondContact O-N 2.81Å
203	N	39.7	Very low	39.1	Very low	128 Å²	128	151.1 Å²	151.1	68%	0.684	80%	0.796	S	S	*	*			trans	-68	76.2	170	-86	-45.8	0	0	0	109.8	E201 R205	E201-N203 VanDerWaalsContact C-N 3.27Å; E201-N203 PolarHBondContact O-N 3.26Å; N203-R205 VanDerWaalsContact C-N 3.33Å; N203-R205 PolarHBondContact O-N 2.99Å
204	S	37.5	Very low	39.2	Very low	101 Å²	101	154.9 Å²	154.9	71%	0.706	80%	0.802	S	S	*	*			trans	-67.9	95.1	166.3	-174.2	0	0	0	0	108.1	N202 R206	N202-S204 PolarHBondContact O-N 2.81Å; S204-R206 PolarHBondContact O-N 2.91Å
205	R	39.4	Very low	39.4	Very low	220 Å²	220	156.5 Å²	156.5	83%	0.83	82%	0.816	S	S	*	*			trans	-58.8	99.5	173	-69	176.8	177.1	173.5	-1.4	108.6	N203 N207	N203-R205 VanDerWaalsContact C-N 3.33Å; N203-R205 PolarHBondContact O-N 2.99Å; R205-N207 PolarHBondContact O-N 2.85Å; R205-N207 VanDerWaalsContact O-N 3.14Å
206	R	42.3	Very low	39.7	Very low	230 Å²	230	152.1 Å²	152.1	87%	0.868	81%	0.81	S	S	*	*			trans	-73.4	101.8	171.3	-67.3	-176.3	-166.6	167.9	3.8	108.3	S204 S208	S204-R206 PolarHBondContact O-N 2.91Å; R206-S208 PolarHBondContact O-N 3.49Å
207	N	42.7	Very low	39.8	Very low	149 Å²	149	152.5 Å²	152.5	80%	0.797	81%	0.812	S	S	*	*			trans	-74	99.8	173.8	-66.3	-31.7	0	0	0	109	R205	R205-N207 PolarHBondContact O-N 2.85Å; R205-N207 VanDerWaalsContact O-N 3.14Å
208	S	44.5	Very low	39.9	Very low	108 Å²	108	155.7 Å²	155.7	76%	0.755	81%	0.814	S	S	*	*			trans	-81.2	111.9	166.5	58.4	0	0	0	0	109	R206	R206-S208 PolarHBondContact O-N 3.49Å
209	S	45.6	Very low	40.4	Very low	115 Å²	115	160.2 Å²	160.2	80%	0.804	81%	0.813	S	S	*	*			trans	-89.5	133.7	174.8	54.9	0	0	0	0	111.2
210	L	40.2	Very low	40.5	Very low	149 Å²	149	158.8 Å²	158.8	78%	0.78	81%	0.811	S	S	*	*			trans	-89.6	122.6	171	-83.5	140.6	0	0	0	108.5	F212	L210-F212 HydrophobicContact CB-CE2 4.42Å
211	S	46	Very low	40.7	Very low	117 Å²	117	158.3 Å²	158.3	82%	0.818	81%	0.814	S	S	*	*			trans	-108.3	127.7	168.9	55.1	0	0	0	0	109.9
212	F	35.2	Very low	40.8	Very low	182 Å²	182	157 Å²	157	80%	0.798	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-94	127.7	172.2	-62	-87.7	0	0	0	107.5	L210	L210-F212 HydrophobicContact CB-CE2 4.42Å
213	S	42	Very low	41	Very low	105 Å²	105	157.8 Å²	157.8	73%	0.734	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-104	117.6	166.3	44.6	0	0	0	0	108.1
214	E	36.9	Very low	41.1	Very low	186 Å²	186	160.3 Å²	160.3	87%	0.869	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.5	126	165.5	-70.1	-173.5	149.8	0	0	108
215	F	41.2	Very low	41.5	Very low	261 Å²	261	165.6 Å²	165.6	100%	1.145	84%	0.836	S	S	*	*			trans	-124.9	0	160.9	-90.4	-80.6	0	0	0	108

Retrieved 215 of 215 residues in 37.7 ms (Link to these results)

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