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Metallo-beta-lactamase domain-containing protein 1

Endoribonuclease that catalyzes the hydrolysis of histone-coding pre-mRNA 3'-end. Involved in histone pre-mRNA processing during the S-phase of the cell cycle, which is required for entering/progressing through S-phase. Cleaves histone pre-mRNA at a major and a minor cleavage site after the 5'-ACCCA-3' and the 5'-ACCCACA-3' sequence, respectively, and located downstream of the stem-loop. May require the presence of the HDE element located at the histone pre-RNA 3'-end to avoid non-specific cleavage.

AlphaFold DB , UniProt , Accession A0A077Z240, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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	43	Very low	39.2	Very low	242 Å²	242	149.8 Å²	149.8	100%	1.192	87%	0.866	S	S	*	*				0	91.5	0	-146	163.9	-168.1	0	0	106.4
2	L	36.7	Very low	38.6	Very low	160 Å²	160	144.4 Å²	144.4	84%	0.838	87%	0.867	S	S	*	*			trans	-83	123.3	179.2	-83.6	104.3	0	0	0	108.4
3	C	38.1	Very low	38.2	Very low	133 Å²	133	140.1 Å²	140.1	90%	0.899	86%	0.856	S	S	*	*			trans	-102.4	113.9	164.5	-76.7	0	0	0	0	109
4	L	41.1	Very low	37.5	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	85%	0.852	S	S	*	*			trans	-82.8	148.5	-179.4	-73.2	149.8	0	0	0	111.4
5	G	36.7	Very low	37.1	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	86%	0.855	S	S	*	*			trans	85.3	97	135.3	0	0	0	0	0	117.9
6	T	38.6	Very low	36.8	Very low	144 Å²	144	144.6 Å²	144.6	88%	0.883	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-82.5	133.5	155.6	45.7	0	0	0	0	110.1
7	P	42.6	Very low	36.3	Very low	120 Å²	120	150.8 Å²	150.8	78%	0.779	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-96.3	139.7	164	22	-7.3	0	0	0	111.2
8	K	41.1	Very low	36.2	Very low	198 Å²	198	150 Å²	150	86%	0.861	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-65.2	144.7	169.8	-77	177.2	174	177.9	0	110.7
9	P	41.8	Very low	36	Very low	131 Å²	131	146.5 Å²	146.5	85%	0.851	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-86.6	130.6	168.9	27.9	-20	0	0	0	111.4
10	T	38.7	Very low	35.7	Very low	123 Å²	123	149.4 Å²	149.4	76%	0.755	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-92.4	137.6	170.7	44.8	0	0	0	0	111.4
11	D	33.3	Very low	35.5	Very low	161 Å²	161	148.2 Å²	148.2	86%	0.861	84%	0.836	S	S	*	*			trans	53.7	118.9	144.7	-59.6	-19.7	0	0	0	122
12	G	31.1	Very low	35.1	Very low	85 Å²	85	143.8 Å²	143.8	88%	0.876	82%	0.815	S	S	*	*				85	73	115.5	0	0	0	0	0	116.7
13	A	33.6	Very low	34.9	Very low	88 Å²	88	143.2 Å²	143.2	73%	0.727	81%	0.811	S	S	*	*			trans	-127.1	117	157	0	0	0	0	0	109.7	F15	A13-F15 PolarHBondContact O-N 3.33Å
14	S	28.9	Very low	34.5	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	81%	0.807	S	S	*	*			trans	-55	114.6	175.7	47.7	0	0	0	0	112.1	E16	S14-E16 PolarHBondContact O-N 3.38Å
15	F	31.5	Very low	34.2	Very low	204 Å²	204	143.7 Å²	143.7	90%	0.895	80%	0.796	S	S	*	*			trans	-82.8	103.1	161.3	-90.4	-92.2	0	0	0	108.8	A13 R17	A13-F15 PolarHBondContact O-N 3.33Å; F15-R17 PolarHBondContact O-N 3.08Å
16	E	32.9	Very low	33.8	Very low	173 Å²	173	147.9 Å²	147.9	81%	0.808	80%	0.801	S	S	*	*			trans	-53.4	133.7	165.7	-79.5	178.5	138	0	0	110.5	S14 V18	S14-E16 PolarHBondContact O-N 3.38Å; E16-V18 PolarHBondContact O-N 3.33Å
17	R	28.3	Very low	33.6	Very low	250 Å²	250	146.1 Å²	146.1	94%	0.943	79%	0.785	S	S	*	*			trans	-60.6	101.3	170.2	-81.9	177.6	178.9	174.1	0.4	109.2	F15 S19	F15-R17 PolarHBondContact O-N 3.08Å; R17-S19 PolarHBondContact O-N 3.49Å
18	V	33.2	Very low	33.2	Very low	137 Å²	137	145 Å²	145	83%	0.83	78%	0.775	S	S	*	*			trans	-71.4	122.9	163.6	-179.8	0	0	0	0	108.2	E16	E16-V18 PolarHBondContact O-N 3.33Å
19	S	33.2	Very low	33	Very low	84 Å²	84	143 Å²	143	59%	0.587	77%	0.769	S	S	*	*			trans	-51.3	135	-176.6	-167.8	0	0	0	0	112.7	R17 D21	R17-S19 PolarHBondContact O-N 3.49Å; S19-D21 PolarHBondContact O-N 2.99Å; S19-D21 PolarHBondContact OG-OD2 2.92Å
20	K	29.8	Very low	32.9	Very low	204 Å²	204	143.2 Å²	143.2	89%	0.887	76%	0.758	S	S	*	*			trans	-76.4	68	167.8	-74.7	-177.2	175	179.3	0	109.8
21	D	30.5	Very low	33	Very low	125 Å²	125	142.2 Å²	142.2	67%	0.668	76%	0.757	S	S	*	*			trans	-127	60.2	168.2	-69.1	-52.4	0	0	0	109.9	S19 I23	S19-D21 PolarHBondContact O-N 2.99Å; S19-D21 PolarHBondContact OG-OD2 2.92Å; D21-I23 PolarHBondContact O-N 3.21Å
22	I	35.4	Very low	33.6	Very low	149 Å²	149	136.4 Å²	136.4	76%	0.764	72%	0.724	S	S	*	*			trans	-75.1	90.1	156.3	-60.7	176.5	0	0	0	105.4	R24	I22-R24 HydrophobicContact CG2-CG 4.31Å; I22-R24 PolarHBondContact O-N 2.81Å
23	I	32.4	Very low	34.1	Very low	147 Å²	147	134.4 Å²	134.4	75%	0.754	70%	0.695	S	S	*	*			trans	-57.2	93.7	160.2	-59.6	178.1	0	0	0	105.5	D21 P25	D21-I23 PolarHBondContact O-N 3.21Å; I23-P25 VanDerWaalsContact O-CD 3.25Å; I23-P25 WeakPolarHBondContact O-CD 3.45Å
24	R	29.4	Very low	34.8	Very low	211 Å²	211	135.5 Å²	135.5	80%	0.796	70%	0.704	S	S	*	*			trans	-63.2	115.5	165.4	-68.5	-175	179.5	-160.4	-0.4	104.8	I22 N26	I22-R24 HydrophobicContact CG2-CG 4.31Å; I22-R24 PolarHBondContact O-N 2.81Å; R24-N26 PolarHBondContact O-N 3.48Å
25	P	34.9	Very low	35.8	Very low	96 Å²	96	133.1 Å²	133.1	62%	0.623	69%	0.687	S	S	*	*			trans	-55.2	132.1	168.1	23.6	-29.7	0	0	0	106.1	I23 I27	I23-P25 VanDerWaalsContact O-CD 3.25Å; I23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-I27 HydrophobicContact CG-CG1 4.42Å; P25-I27 PolarHBondContact O-N 2.83Å
26	N	29.8	Very low	37.2	Very low	161 Å²	161	127.8 Å²	127.8	86%	0.861	67%	0.665	S	S	*	*			trans	-58.9	83.8	167.3	-88	-26.5	0	0	0	107.2	R24 V28	R24-N26 PolarHBondContact O-N 3.48Å; N26-V28 PolarHBondContact O-N 2.72Å
27	I	33.4	Very low	38.7	Very low	107 Å²	107	119.8 Å²	119.8	55%	0.549	63%	0.628	S	S	.	*			trans	-70	94.7	161.2	-60.1	174.7	0	0	0	102.4	P25 E29	P25-I27 HydrophobicContact CG-CG1 4.42Å; P25-I27 PolarHBondContact O-N 2.83Å; I27-E29 PolarHBondContact O-N 3.42Å
28	V	33.3	Very low	40.5	Very low	95 Å²	95	110.4 Å²	110.4	58%	0.576	60%	0.6	S	S	*	*			trans	-57.8	98.4	162.1	-179	0	0	0	0	104.5	N26 H30	N26-V28 PolarHBondContact O-N 2.72Å; V28-H30 PolarHBondContact O-CD2 3.42Å; V28-H30 PolarHBondContact O-N 3.24Å
29	E	38.2	Very low	42.1	Very low	158 Å²	158	107.7 Å²	107.7	74%	0.738	58%	0.58	S	S	*	*			trans	-61.7	91	164.8	-84	-172.5	157.2	0	0	105.2	I27 S31	I27-E29 PolarHBondContact O-N 3.42Å; E29-S31 PolarHBondContact O-N 3.48Å
30	H	39	Very low	44	Very low	134 Å²	134	110.1 Å²	110.1	62%	0.62	59%	0.586	S	S	*	*			trans	-65	91.7	164	-69	-70.7	0	0	0	105.4	V28 F32	V28-H30 PolarHBondContact O-CD2 3.42Å; V28-H30 PolarHBondContact O-N 3.24Å; H30-F32 PolarHBondContact O-N 3.35Å
31	S	42	Very low	45.7	Very low	103 Å²	103	103.3 Å²	103.3	72%	0.72	56%	0.558	S	S	*	*			trans	-45.1	125.5	163.3	42.4	0	0	0	0	106.7	E29	E29-S31 PolarHBondContact O-N 3.48Å
32	F	44	Very low	47.5	Very low	39 Å²	39	98.3 Å²	98.3	17%	0.171	53%	0.53	C	S	.	.			trans	-51	129.3	167.6	-157.6	-89.9	0	0	0	106.2	H30 A34 E236 R240 V267	H30-F32 PolarHBondContact O-N 3.35Å; F32-A34 PolarHBondContact O-N 3.18Å; F32-A34 VanDerWaalsContact O-N 3.08Å; F32-E236 HydrophobicContact CB-CG 3.63Å; F32-E236 HydrophobicContact CD1-CG 4.48Å; F32-E236 WeakPolarHBondContact CD1-OE1 3.35Å; F32-E236 HydrophobicContact CD2-CG 4.03Å; F32-E236 WeakPolarHBondContact CE1-OE1 3.3Å; F32-E236 HydrophobicContact CG-CG 3.84Å; F32-E236 WeakPolarHBondContact CG-OE1 3.21Å; F32-R240 HydrophobicContact CD2-CB 3.59Å; F32-R240 HydrophobicContact CD2-CG 3.81Å; F32-R240 HydrophobicContact CE2-CB 3.46Å; F32-R240 VanDerWaalsContact CE2-CB 3.46Å; F32-R240 HydrophobicContact CE2-CG 3.74Å; F32-V267 HydrophobicContact CE1-CB 4.38Å; F32-V267 HydrophobicContact CE1-CG1 3.96Å; F32-V267 HydrophobicContact CE2-CB 3.77Å; F32-V267 HydrophobicContact CE2-CG1 3.91Å; F32-V267 HydrophobicContact CZ-CB 3.62Å; F32-V267 HydrophobicContact CZ-CG1 3.25Å
33	P	42.3	Very low	49.6	Very low	43 Å²	43	95.5 Å²	95.5	28%	0.279	52%	0.52	S	S	.	.			trans	-54.2	127.4	-179.7	17.7	-26.5	0	0	0	107.8	S35 L266	P33-S35 PolarHBondContact O-N 3.32Å; P33-L266 WeakPolarHBondContact CG-O 3.44Å
34	A	47.9	Very low	51.7	Low	110 Å²	110	89.3 Å²	89.3	91%	0.909	49%	0.491	S	S	*	.	S	Bend	trans	-62.2	-6.1	-173.9	0	0	0	0	0	113.3	F32 Q36	F32-A34 PolarHBondContact O-N 3.18Å; F32-A34 VanDerWaalsContact O-N 3.08Å; A34-Q36 PolarHBondContact O-N 3.11Å
35	S	50.2	Low	54	Low	65 Å²	65	80.5 Å²	80.5	46%	0.455	46%	0.459	S	S	.	.	S	Bend	trans	-74.7	106.9	169.1	53.8	0	0	0	0	109.8	P33 V37	P33-S35 PolarHBondContact O-N 3.32Å; S35-V37 PolarHBondContact O-N 3.35Å
36	Q	62.1	Low	55.6	Low	93 Å²	93	82.9 Å²	82.9	44%	0.435	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-49.3	133.9	166.3	-74.8	-179.2	-29.8	0	0	109.6	A34 P38 G220 E223	A34-Q36 PolarHBondContact O-N 3.11Å; Q36-P38 WeakPolarHBondContact O-CD 3.34Å; Q36-G220 PolarHBondContact NE2-O 3.31Å; Q36-G220 VanDerWaalsContact OE1-C 3.28Å; Q36-G220 PolarHBondContact OE1-O 2.88Å; Q36-E223 VanDerWaalsContact NE2-CD 3.28Å; Q36-E223 PolarHBondContact NE2-OE1 3.19Å
37	V	63.4	Low	57	Low	5 Å²	5	78.7 Å²	78.7	3%	0.03	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-65.6	124.2	172.1	-172.1	0	0	0	0	107.4	S35 H41 F42 F219 G220 I263 L266 V267	S35-V37 PolarHBondContact O-N 3.35Å; V37-H41 HydrophobicContact CG1-CB 4.38Å; V37-F42 HydrophobicContact CB-CE2 3.83Å; V37-F42 HydrophobicContact CB-CZ 4.17Å; V37-F42 HydrophobicContact CG1-CD2 4.35Å; V37-F42 HydrophobicContact CG1-CE2 3.31Å; V37-F42 HydrophobicContact CG1-CZ 3.7Å; V37-F219 HydrophobicContact CB-CD1 4.3Å; V37-F219 WeakPolarHBondContact O-CB 3.31Å; V37-G220 PolarHBondContact O-N 2.92Å; V37-I263 HydrophobicContact CG1-CG1 4.08Å; V37-L266 HydrophobicContact CG1-CD1 3.84Å; V37-L266 HydrophobicContact CG2-CB 4.24Å; V37-V267 HydrophobicContact CG2-CG1 3.59Å
38	P	66.8	Low	57.8	Low	52 Å²	52	79.1 Å²	79.1	34%	0.338	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-68.7	146.5	-179.7	-21.4	35.3	0	0	0	111.9	Q36 D40 H41	Q36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-D40 VanDerWaalsContact C-N 3.29Å; P38-D40 WeakPolarHBondContact CB-OD1 3.4Å; P38-D40 PolarHBondContact O-N 2.79Å; P38-H41 WeakPolarHBondContact O-CB 3.37Å; P38-H41 PolarHBondContact O-N 2.88Å
39	L	66.6	Low	59	Low	80 Å²	80	76.7 Å²	76.7	42%	0.419	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-61.8	-34	-173.5	-178.1	63.9	0	0	0	113.5	H41 F42 E216	L39-H41 PolarHBondContact O-N 3.17Å; L39-H41 VanDerWaalsContact O-N 3.11Å; L39-F42 PolarHBondContact O-N 2.92Å; L39-E216 WeakPolarHBondContact CD1-O 3.2Å
40	D	72.1	Confident	60	Low	135 Å²	135	70.6 Å²	70.6	72%	0.722	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-63.8	-12.6	179.7	61.7	-20.3	0	0	0	114.1	P38	P38-D40 VanDerWaalsContact C-N 3.29Å; P38-D40 WeakPolarHBondContact CB-OD1 3.4Å; P38-D40 PolarHBondContact O-N 2.79Å
41	H	65.8	Low	61.2	Low	61 Å²	61	68.1 Å²	68.1	28%	0.282	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-84.5	-10.5	175.1	-65.7	73.7	0	0	0	113.1	V37 P38 L39 I263	V37-H41 HydrophobicContact CG1-CB 4.38Å; P38-H41 WeakPolarHBondContact O-CB 3.37Å; P38-H41 PolarHBondContact O-N 2.88Å; L39-H41 PolarHBondContact O-N 3.17Å; L39-H41 VanDerWaalsContact O-N 3.11Å; H41-I263 HydrophobicContact CB-CG1 4.08Å; H41-I263 VanDerWaalsContact O-CD1 3.26Å; H41-I263 WeakPolarHBondContact O-CD1 3.44Å
42	F	69.9	Low	62.3	Low	21 Å²	21	65.8 Å²	65.8	9%	0.092	38%	0.379	C	S	.	.			trans	-97.5	114	178.9	-69.1	-86	0	0	0	111.3	V37 L39 A44 F219 L243 F257 I263	V37-F42 HydrophobicContact CB-CE2 3.83Å; V37-F42 HydrophobicContact CB-CZ 4.17Å; V37-F42 HydrophobicContact CG1-CD2 4.35Å; V37-F42 HydrophobicContact CG1-CE2 3.31Å; V37-F42 HydrophobicContact CG1-CZ 3.7Å; L39-F42 PolarHBondContact O-N 2.92Å; F42-A44 PolarHBondContact O-N 3.21Å; F42-F219 AromaticContact CD1-CD2 3.9Å; F42-F219 HydrophobicContact CD1-CD2 3.9Å; F42-F219 AromaticContact CD1-CE2 3.55Å; F42-F219 HydrophobicContact CD1-CE2 3.55Å; F42-F219 AromaticContact CD1-CZ 3.97Å; F42-F219 HydrophobicContact CD1-CZ 3.97Å; F42-F219 HydrophobicContact CD2-CB 3.88Å; F42-F219 HydrophobicContact CD2-CD1 4.29Å; F42-F219 AromaticContact CD2-CD2 3.44Å; F42-F219 HydrophobicContact CD2-CD2 3.44Å; F42-F219 VanDerWaalsContact CD2-CD2 3.44Å; F42-F219 AromaticContact CD2-CE2 3.99Å; F42-F219 HydrophobicContact CD2-CE2 3.99Å; F42-F219 AromaticContact CD2-CG 3.62Å; F42-F219 HydrophobicContact CD2-CG 3.62Å; F42-F219 HydrophobicContact CE1-CD1 4.15Å; F42-F219 AromaticContact CE1-CD2 3.8Å; F42-F219 HydrophobicContact CE1-CD2 3.8Å; F42-F219 AromaticContact CE1-CE1 3.69Å; F42-F219 HydrophobicContact CE1-CE1 3.69Å; F42-F219 AromaticContact CE1-CE2 3.3Å; F42-F219 HydrophobicContact CE1-CE2 3.3Å; F42-F219 HydrophobicContact CE1-CG 4.2Å; F42-F219 AromaticContact CE1-CZ 3.22Å; F42-F219 HydrophobicContact CE1-CZ 3.22Å; F42-F219 HydrophobicContact CE2-CB 3.54Å; F42-F219 AromaticContact CE2-CD1 3.34Å; F42-F219 HydrophobicContact CE2-CD1 3.34Å; F42-F219 AromaticContact CE2-CD2 3.32Å; F42-F219 HydrophobicContact CE2-CD2 3.32Å; F42-F219 AromaticContact CE2-CE1 3.76Å; F42-F219 HydrophobicContact CE2-CE1 3.76Å; F42-F219 AromaticContact CE2-CE2 3.76Å; F42-F219 HydrophobicContact CE2-CE2 3.76Å; F42-F219 AromaticContact CE2-CG 3.08Å; F42-F219 HydrophobicContact CE2-CG 3.08Å; F42-F219 AromaticContact CE2-CZ 3.95Å; F42-F219 HydrophobicContact CE2-CZ 3.95Å; F42-F219 AromaticContact CG-CD2 3.74Å; F42-F219 HydrophobicContact CG-CD2 3.74Å; F42-F219 AromaticContact CG-CE2 3.89Å; F42-F219 HydrophobicContact CG-CE2 3.89Å; F42-F219 HydrophobicContact CG-CG 4.35Å; F42-F219 HydrophobicContact CZ-CB 4.36Å; F42-F219 AromaticContact CZ-CD1 3.26Å; F42-F219 HydrophobicContact CZ-CD1 3.26Å; F42-F219 AromaticContact CZ-CD2 3.54Å; F42-F219 HydrophobicContact CZ-CD2 3.54Å; F42-F219 AromaticContact CZ-CE1 3.14Å; F42-F219 HydrophobicContact CZ-CE1 3.14Å; F42-F219 AromaticContact CZ-CE2 3.44Å; F42-F219 HydrophobicContact CZ-CE2 3.44Å; F42-F219 VanDerWaalsContact CZ-CE2 3.44Å; F42-F219 AromaticContact CZ-CG 3.45Å; F42-F219 HydrophobicContact CZ-CG 3.45Å; F42-F219 VanDerWaalsContact CZ-CG 3.45Å; F42-F219 AromaticContact CZ-CZ 3.23Å; F42-F219 HydrophobicContact CZ-CZ 3.23Å; F42-L243 HydrophobicContact CE1-CD2 4.43Å; F42-F257 AromaticContact CD1-CD2 3.47Å; F42-F257 HydrophobicContact CD1-CD2 3.47Å; F42-F257 VanDerWaalsContact CD1-CD2 3.47Å; F42-F257 AromaticContact CD1-CE2 3.75Å; F42-F257 HydrophobicContact CD1-CE2 3.75Å; F42-F257 HydrophobicContact CD1-CG 4.14Å; F42-F257 AromaticContact CE1-CD2 3.91Å; F42-F257 HydrophobicContact CE1-CD2 3.91Å; F42-F257 AromaticContact CE1-CE2 3.71Å; F42-F257 HydrophobicContact CE1-CE2 3.71Å; F42-I263 HydrophobicContact CD1-CD1 3.42Å; F42-I263 VanDerWaalsContact CD1-CD1 3.42Å; F42-I263 HydrophobicContact CD1-CG1 4.47Å; F42-I263 HydrophobicContact CD2-CD1 4.3Å; F42-I263 HydrophobicContact CE1-CD1 3.28Å; F42-I263 HydrophobicContact CE1-CG1 4Å; F42-I263 HydrophobicContact CE1-CG2 4.16Å; F42-I263 HydrophobicContact CE2-CD1 4.18Å; F42-I263 HydrophobicContact CE2-CG1 4.29Å; F42-I263 HydrophobicContact CG-CD1 3.95Å; F42-I263 HydrophobicContact CZ-CD1 3.67Å; F42-I263 HydrophobicContact CZ-CG1 3.88Å; F42-I263 HydrophobicContact CZ-CG2 4.01Å
43	T	77.6	Confident	63.4	Low	90 Å²	90	69.7 Å²	69.7	55%	0.552	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	99.2	173.1	-47.4	0	0	0	0	109.6	F257 R258	T43-F257 WeakPolarHBondContact O-CA 2.81Å; T43-R258 PolarHBondContact O-N 3.27Å
44	A	76.9	Confident	64.4	Low	17 Å²	17	74 Å²	74	14%	0.14	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.2	171.1	0	0	0	0	0	111.6	F42 Y46 E216 H255 P256	F42-A44 PolarHBondContact O-N 3.21Å; A44-Y46 HydrophobicContact CB-CD2 4.01Å; A44-Y46 HydrophobicContact CB-CE1 4.4Å; A44-Y46 HydrophobicContact CB-CE2 3.31Å; A44-E216 HydrophobicContact CB-CB 4.15Å; A44-E216 HydrophobicContact CB-CG 4.09Å; A44-H255 HydrophobicContact CB-CB 4.33Å; A44-P256 CarbonylContact C-O 3.47Å; A44-P256 WeakPolarHBondContact CA-O 3.44Å
45	I	77.7	Confident	65.5	Low	25 Å²	25	70.4 Å²	70.4	13%	0.128	39%	0.386	C	S	.	.			trans	-101.4	88	-174.2	-54.6	178.4	0	0	0	108	A47 Y203 V248 P256 R258	I45-A47 VanDerWaalsContact C-N 3.3Å; I45-A47 PolarHBondContact O-N 3.19Å; I45-A47 VanDerWaalsContact O-N 3.17Å; I45-Y203 HydrophobicContact CD1-CD1 4.43Å; I45-Y203 HydrophobicContact CD1-CE1 3.79Å; I45-V248 HydrophobicContact CD1-CG1 3.82Å; I45-V248 HydrophobicContact CD1-CG2 4.19Å; I45-P256 HydrophobicContact CB-CB 4.39Å; I45-P256 WeakPolarHBondContact CB-O 3.43Å; I45-P256 HydrophobicContact CD1-CB 4.33Å; I45-P256 PolarHBondContact N-O 3.46Å; I45-R258 HydrophobicContact CD1-CG 3.96Å; I45-R258 HydrophobicContact CG1-CG 4.31Å
46	Y	68.2	Low	66.5	Low	146 Å²	146	78.3 Å²	78.3	57%	0.573	41%	0.406	S	S	*	.			trans	-88.9	59.7	-179.8	-61.6	-79.3	0	0	0	111.9	A44 H255	A44-Y46 HydrophobicContact CB-CD2 4.01Å; A44-Y46 HydrophobicContact CB-CE1 4.4Å; A44-Y46 HydrophobicContact CB-CE2 3.31Å; Y46-H255 AromaticContact CD1-CD2 3.74Å; Y46-H255 AromaticContact CD1-CE1 3.99Å; Y46-H255 AromaticContact CD1-CG 3.91Å; Y46-H255 AromaticContact CD1-NE2 3.79Å; Y46-H255 HydrophobicContact CE1-CB 4.38Å; Y46-H255 AromaticContact CE1-CD2 3.98Å; Y46-H255 AromaticContact CE1-CE1 3.68Å; Y46-H255 AromaticContact CE1-CG 3.7Å; Y46-H255 AromaticContact CE1-ND1 3.5Å; Y46-H255 WeakPolarHBondContact CE1-ND1 3.45Å; Y46-H255 AromaticContact CE1-NE2 3.96Å
47	A	59.3	Low	67.4	Low	74 Å²	74	77.9 Å²	77.9	61%	0.612	41%	0.413	S	S	*	.	S	Bend	trans	59.9	163.5	179.3	0	0	0	0	0	114.6	I45	I45-A47 VanDerWaalsContact C-N 3.3Å; I45-A47 PolarHBondContact O-N 3.19Å; I45-A47 VanDerWaalsContact O-N 3.17Å
48	P	50.2	Low	68.6	Low	115 Å²	115	79.5 Å²	79.5	75%	0.747	43%	0.43	S	S	*	.	P	Polyproline II helix	cis	-67.6	137.6	-10.1	30.5	-32	0	0	0	110.4
49	L	59.1	Low	69.9	Low	45 Å²	45	77 Å²	77	24%	0.236	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-56.9	145.7	156.3	-69.1	156	0	0	0	107.5	N51 Y52 P63 F250	L49-N51 PolarHBondContact O-N 3.1Å; L49-Y52 HydrophobicContact CB-CE2 4.35Å; L49-P63 HydrophobicContact CD1-CG 3.2Å; L49-P63 HydrophobicContact CD2-CG 3.57Å; L49-P63 HydrophobicContact CG-CG 3.99Å; L49-F250 HydrophobicContact CD2-CZ 4.49Å
50	P	59.7	Low	71.2	Confident	29 Å²	29	74.6 Å²	74.6	19%	0.188	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-55	133.9	-169.6	21.7	-34.1	0	0	0	109.9	Y52 Y55 Y203	P50-Y52 HydrophobicContact CG-CE1 4.35Å; P50-Y52 WeakPolarHBondContact O-CD2 3.23Å; P50-Y52 PolarHBondContact O-N 3.07Å; P50-Y55 HydrophobicContact CB-CE2 3.69Å; P50-Y55 HydrophobicContact CG-CE2 3.79Å; P50-Y55 WeakPolarHBondContact CG-OH 3.26Å; P50-Y203 WeakPolarHBondContact CD-OH 3.5Å; P50-Y203 HydrophobicContact CG-CD2 4.35Å; P50-Y203 HydrophobicContact CG-CE2 3.6Å
51	N	62.9	Low	72.2	Confident	82 Å²	82	68.2 Å²	68.2	44%	0.439	37%	0.367	S	S	.	.			trans	-61.1	104.7	-177.1	-179.1	-2.1	0	0	0	109.4	L49 T53 Q54	L49-N51 PolarHBondContact O-N 3.1Å; N51-T53 PolarHBondContact ND2-OG1 3.34Å; N51-T53 VanDerWaalsContact ND2-OG1 3.16Å; N51-T53 PolarHBondContact O-N 2.82Å; N51-T53 VanDerWaalsContact O-N 3.09Å; N51-T53 PolarHBondContact OD1-N 3.37Å; N51-T53 VanDerWaalsContact OD1-N 3.11Å; N51-T53 PolarHBondContact OD1-OG1 3.08Å; N51-Q54 HydrophobicContact CB-CG 4.37Å; N51-Q54 PolarHBondContact O-N 3.26Å
52	Y	66.8	Low	73.5	Confident	54 Å²	54	65.4 Å²	65.4	21%	0.212	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61.2	-21	-175.5	-58.6	-69.9	0	0	0	113.5	L49 P50 Q54 Y55 M60 I61 I62	L49-Y52 HydrophobicContact CB-CE2 4.35Å; P50-Y52 HydrophobicContact CG-CE1 4.35Å; P50-Y52 WeakPolarHBondContact O-CD2 3.23Å; P50-Y52 PolarHBondContact O-N 3.07Å; Y52-Q54 PolarHBondContact O-N 3.15Å; Y52-Y55 HydrophobicContact CD1-CD2 4.02Å; Y52-Y55 AromaticContact CD1-CE2 3.79Å; Y52-Y55 HydrophobicContact CD1-CE2 3.79Å; Y52-Y55 HydrophobicContact CE1-CE2 4.12Å; Y52-Y55 PolarHBondContact O-N 3.33Å; Y52-M60 HydrophobicContact CD1-SD 4.21Å; Y52-I61 VanDerWaalsContact CE1-O 3.26Å; Y52-I61 WeakPolarHBondContact CE1-O 3.4Å; Y52-I61 PolarHBondContact OH-O 2.91Å; Y52-I62 HydrophobicContact CD1-CG1 4.11Å; Y52-I62 HydrophobicContact CE1-CG1 3.65Å; Y52-I62 HydrophobicContact CE2-CG1 4.46Å
53	T	65.3	Low	74.6	Confident	122 Å²	122	65.2 Å²	65.2	75%	0.748	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-70	-18.4	174.1	63.3	0	0	0	0	113.6	N51	N51-T53 PolarHBondContact ND2-OG1 3.34Å; N51-T53 VanDerWaalsContact ND2-OG1 3.16Å; N51-T53 PolarHBondContact O-N 2.82Å; N51-T53 VanDerWaalsContact O-N 3.09Å; N51-T53 PolarHBondContact OD1-N 3.37Å; N51-T53 VanDerWaalsContact OD1-N 3.11Å; N51-T53 PolarHBondContact OD1-OG1 3.08Å
54	Q	64.6	Low	75.5	Confident	133 Å²	133	62 Å²	62	62%	0.621	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-99.2	-3.2	-179.8	-62	-177.9	3	0	0	113	N51 Y52 R56	N51-Q54 HydrophobicContact CB-CG 4.37Å; N51-Q54 PolarHBondContact O-N 3.26Å; Y52-Q54 PolarHBondContact O-N 3.15Å; Q54-R56 PolarHBondContact O-N 2.83Å
55	Y	70.8	Confident	76.4	Confident	34 Å²	34	61.7 Å²	61.7	13%	0.133	33%	0.33	C	S	.	.			trans	-65.9	121.3	175.2	-95.2	-97.1	0	0	0	109.8	P50 Y52 M60 Q201	P50-Y55 HydrophobicContact CB-CE2 3.69Å; P50-Y55 HydrophobicContact CG-CE2 3.79Å; P50-Y55 WeakPolarHBondContact CG-OH 3.26Å; Y52-Y55 HydrophobicContact CD1-CD2 4.02Å; Y52-Y55 AromaticContact CD1-CE2 3.79Å; Y52-Y55 HydrophobicContact CD1-CE2 3.79Å; Y52-Y55 HydrophobicContact CE1-CE2 4.12Å; Y52-Y55 PolarHBondContact O-N 3.33Å; Y55-M60 HydrophobicContact CD1-CG 3.52Å; Y55-M60 HydrophobicContact CD1-SD 4.29Å; Y55-M60 HydrophobicContact CD2-CG 4.33Å; Y55-M60 HydrophobicContact CD2-SD 4.39Å; Y55-M60 HydrophobicContact CE1-CG 3.78Å; Y55-M60 HydrophobicContact CG-CG 3.8Å; Y55-M60 HydrophobicContact CG-SD 3.97Å; Y55-Q201 HydrophobicContact CD1-CB 3.99Å; Y55-Q201 HydrophobicContact CE1-CB 3.59Å; Y55-Q201 PolarHBondContact OH-O 2.76Å
56	R	70.3	Confident	77.1	Confident	232 Å²	232	63.6 Å²	63.6	88%	0.875	34%	0.34	S	S	*	.			trans	-95.3	-37.9	-178.4	-67.3	-170.5	-176.4	-167.9	1.4	112.5	Q54	Q54-R56 PolarHBondContact O-N 2.83Å
57	S	82.3	Confident	78.4	Confident	83 Å²	83	56.8 Å²	56.8	58%	0.58	31%	0.314	S	S	*	.	S	Bend	trans	-165.6	165.4	-176.4	58.7	0	0	0	0	111
58	G	88.3	Confident	80	Confident	39 Å²	39	57.6 Å²	57.6	40%	0.402	31%	0.309	S	S	.	.	S	Bend	trans	89.1	-178.4	179.1	0	0	0	0	0	113.7
59	P	94	Very high	82	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.			trans	-72.6	145.4	-179.2	29.5	-34	0	0	0	112	R86 D87 H179 V197 N198 V200	P59-R86 CarbonylContact C-O 3.48Å; P59-R86 WeakPolarHBondContact CA-O 3.48Å; P59-D87 HydrophobicContact CB-CB 4.25Å; P59-H179 HydrophobicContact CB-CB 4.27Å; P59-H179 HydrophobicContact CG-CB 3.73Å; P59-V197 HydrophobicContact CB-CG1 3.64Å; P59-V197 HydrophobicContact CG-CG1 3.69Å; P59-N198 WeakPolarHBondContact CG-O 3.31Å; P59-V200 HydrophobicContact CG-CG2 4.04Å
60	M	92.8	Very high	83.4	Confident	30 Å²	30	53.8 Å²	53.8	15%	0.148	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.8	173.2	-67.6	-175	-74.8	0	0	110.9	Y52 Y55 I62 V85 R86	Y52-M60 HydrophobicContact CD1-SD 4.21Å; Y55-M60 HydrophobicContact CD1-CG 3.52Å; Y55-M60 HydrophobicContact CD1-SD 4.29Å; Y55-M60 HydrophobicContact CD2-CG 4.33Å; Y55-M60 HydrophobicContact CD2-SD 4.39Å; Y55-M60 HydrophobicContact CE1-CG 3.78Å; Y55-M60 HydrophobicContact CG-CG 3.8Å; Y55-M60 HydrophobicContact CG-SD 3.97Å; M60-I62 HydrophobicContact CB-CG1 4.47Å; M60-V85 VanDerWaalsContact O-CA 3.32Å; M60-V85 WeakPolarHBondContact O-CA 3.31Å; M60-R86 HydrophobicContact CB-CB 4.39Å; M60-R86 HydrophobicContact CE-CB 4.12Å; M60-R86 PolarHBondContact N-O 3.04Å; M60-R86 PolarHBondContact O-N 2.98Å
61	I	93.8	Very high	84.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.3	174.3	-53.2	-60.4	0	0	0	108.7	Y52 V83 V85 V197 V200 V206 I208 F250	Y52-I61 VanDerWaalsContact CE1-O 3.26Å; Y52-I61 WeakPolarHBondContact CE1-O 3.4Å; Y52-I61 PolarHBondContact OH-O 2.91Å; I61-V83 HydrophobicContact CG2-CG1 3.64Å; I61-V85 HydrophobicContact CD1-CB 4.33Å; I61-V85 HydrophobicContact CD1-CG1 3.95Å; I61-V85 HydrophobicContact CD1-CG2 3.65Å; I61-V197 HydrophobicContact CD1-CB 3.94Å; I61-V197 HydrophobicContact CD1-CG1 4.03Å; I61-V197 HydrophobicContact CD1-CG2 3.85Å; I61-V200 HydrophobicContact CD1-CG2 4.16Å; I61-V200 HydrophobicContact CG1-CB 4.47Å; I61-V200 HydrophobicContact CG1-CG1 3.74Å; I61-V200 HydrophobicContact CG1-CG2 3.86Å; I61-V206 HydrophobicContact CD1-CB 4.47Å; I61-V206 HydrophobicContact CG1-CB 4.21Å; I61-V206 HydrophobicContact CG1-CG1 4.22Å; I61-V206 HydrophobicContact CG1-CG2 4.12Å; I61-V206 HydrophobicContact CG2-CG1 4.37Å; I61-I208 HydrophobicContact CD1-CD1 4.43Å; I61-F250 HydrophobicContact CG2-CE1 4.21Å; I61-F250 HydrophobicContact CG2-CE2 4.04Å; I61-F250 HydrophobicContact CG2-CZ 3.81Å
62	I	93.1	Very high	85.6	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.015	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	100.7	-173.8	-56.8	166.5	0	0	0	108.6	Y52 M60 I64 L84 R86 H115	Y52-I62 HydrophobicContact CD1-CG1 4.11Å; Y52-I62 HydrophobicContact CE1-CG1 3.65Å; Y52-I62 HydrophobicContact CE2-CG1 4.46Å; M60-I62 HydrophobicContact CB-CG1 4.47Å; I62-I64 HydrophobicContact CG2-CD1 4.02Å; I62-I64 PolarHBondContact O-N 2.93Å; I62-L84 HydrophobicContact CB-CB 4.22Å; I62-L84 WeakPolarHBondContact CB-O 3.02Å; I62-L84 HydrophobicContact CD1-CD2 4Å; I62-L84 HydrophobicContact CD1-CG 4.46Å; I62-L84 PolarHBondContact N-O 2.93Å; I62-L84 PolarHBondContact O-N 3.47Å; I62-R86 HydrophobicContact CD1-CG 4.4Å; I62-H115 HydrophobicContact CD1-CB 4.43Å; I62-H115 VanDerWaalsContact CG2-CD2 3.5Å; I62-H115 WeakPolarHBondContact CG2-CD2 3.21Å; I62-H115 VanDerWaalsContact CG2-NE2 3.27Å; I62-H115 WeakPolarHBondContact CG2-NE2 3.44Å
63	P	93.8	Very high	86.3	Confident	16 Å²	16	66 Å²	66	10%	0.104	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	115.9	171.6	30.2	-32.5	0	0	0	109.1	L49 L66 V82 F250	L49-P63 HydrophobicContact CD1-CG 3.2Å; L49-P63 HydrophobicContact CD2-CG 3.57Å; L49-P63 HydrophobicContact CG-CG 3.99Å; P63-L66 HydrophobicContact CB-CD2 3.73Å; P63-L66 HydrophobicContact CB-CG 4.11Å; P63-L66 HydrophobicContact CG-CD2 4.07Å; P63-L66 HydrophobicContact CG-CG 4.37Å; P63-V82 CarbonylContact C-O 3.59Å; P63-F250 HydrophobicContact CB-CE1 4.08Å; P63-F250 HydrophobicContact CG-CE1 4.13Å
64	I	95.6	Very high	87.3	Confident	23 Å²	23	66 Å²	66	12%	0.118	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-38.6	173.9	-58.9	-59.1	0	0	0	109.8	I62 V82 L84 L108 L112	I62-I64 HydrophobicContact CG2-CD1 4.02Å; I62-I64 PolarHBondContact O-N 2.93Å; I64-V82 HydrophobicContact CB-CG1 4.41Å; I64-V82 PolarHBondContact N-O 2.78Å; I64-L84 HydrophobicContact CD1-CB 4.1Å; I64-L84 HydrophobicContact CG1-CB 3.97Å; I64-L108 HydrophobicContact CG2-CD1 4.03Å; I64-L112 HydrophobicContact CD1-CD2 4.44Å; I64-L112 HydrophobicContact CG1-CD2 4.46Å
65	I	95.4	Very high	88.3	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.056	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.4	173.7	-54.2	-179.9	0	0	0	106.4	L79 S80 T81 V82 D104 I107	I65-L79 HydrophobicContact CG2-CD1 3.85Å; I65-L79 HydrophobicContact CG2-CD2 3.81Å; I65-L79 HydrophobicContact CG2-CG 3.76Å; I65-S80 WeakPolarHBondContact CG2-O 3.39Å; I65-T81 CarbonylContact O-C 3.54Å; I65-T81 VanDerWaalsContact O-CA 3.32Å; I65-T81 WeakPolarHBondContact O-CA 3.28Å; I65-V82 HydrophobicContact CB-CB 4.05Å; I65-V82 HydrophobicContact CB-CG2 4.24Å; I65-V82 HydrophobicContact CD1-CB 4.35Å; I65-V82 HydrophobicContact CD1-CG2 4Å; I65-V82 HydrophobicContact CG1-CB 4.18Å; I65-V82 HydrophobicContact CG1-CG2 4.34Å; I65-V82 PolarHBondContact N-O 2Å; I65-V82 PolarHBondContact O-N 3.4Å; I65-D104 HydrophobicContact CD1-CB 3.79Å; I65-I107 HydrophobicContact CD1-CG2 4.17Å; I65-I107 HydrophobicContact CG1-CG2 3.93Å
66	L	93.6	Very high	89.1	Confident	64 Å²	64	66.4 Å²	66.4	34%	0.335	34%	0.338	S	S	.	.			trans	-89.3	126.9	166.5	-76.7	174	0	0	0	108.4	P63 P256	P63-L66 HydrophobicContact CB-CD2 3.73Å; P63-L66 HydrophobicContact CB-CG 4.11Å; P63-L66 HydrophobicContact CG-CD2 4.07Å; P63-L66 HydrophobicContact CG-CG 4.37Å; L66-P256 HydrophobicContact CD2-CG 4.19Å
67	G	94.1	Very high	90.1	Very high	3 Å²	3	61.7 Å²	61.7	3%	0.031	33%	0.326	C	S	.	.			trans	-68.4	160.6	-177.8	0	0	0	0	0	112.7	L79 T81 H253 G254	G67-L79 CarbonylContact C-O 3.48Å; G67-L79 WeakPolarHBondContact CA-O 3.22Å; G67-T81 WeakPolarHBondContact CA-OG1 3.27Å; G67-T81 PolarHBondContact N-OG1 3.08Å; G67-H253 VanDerWaalsContact C-C 3.44Å; G67-G254 WeakPolarHBondContact O-CA 3.26Å; G67-G254 PolarHBondContact O-N 2.82Å
68	N	93.8	Very high	90.6	Very high	92 Å²	92	60.5 Å²	60.5	49%	0.492	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	143.7	173.6	-173.2	19.8	0	0	0	109.3	L79 H253	N68-L79 PolarHBondContact N-O 3.35Å; N68-L79 PolarHBondContact O-N 3.35Å; N68-H253 CarbonylContact C-O 3.57Å; N68-H253 VanDerWaalsContact C-O 3.25Å; N68-H253 WeakPolarHBondContact CA-O 3.43Å; N68-H253 PolarHBondContact N-O 2.75Å
69	I	91.3	Very high	90.9	Very high	27 Å²	27	61.2 Å²	61.2	14%	0.138	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.7	173.6	-171.4	158.7	0	0	0	110.4	M71 Q77 M78 I224 H253	I69-M71 HydrophobicContact CD1-CG 4.21Å; I69-M71 HydrophobicContact CD1-SD 4.5Å; I69-M71 HydrophobicContact CG1-CG 3.96Å; I69-Q77 WeakPolarHBondContact CA-O 3.36Å; I69-M78 HydrophobicContact CD1-CE 4.32Å; I69-M78 HydrophobicContact CD1-CG 3.96Å; I69-M78 HydrophobicContact CD1-SD 4.35Å; I69-M78 HydrophobicContact CG1-CG 4.04Å; I69-I224 HydrophobicContact CD1-CD1 3.83Å; I69-I224 HydrophobicContact CG2-CD1 4.05Å; I69-H253 HydrophobicContact CB-CB 3.73Å; I69-H253 HydrophobicContact CG2-CB 4.14Å; I69-H253 PolarHBondContact N-O 3.32Å; I69-H253 VanDerWaalsContact N-O 3.15Å
70	T	89.3	Confident	91	Very high	52 Å²	52	61.2 Å²	61.2	32%	0.319	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.3	169.6	-62.1	0	0	0	0	108.8	R72 Q77	T70-R72 HydrophobicContact CG2-CG 4.43Å; T70-Q77 PolarHBondContact N-O 2.95Å; T70-Q77 PolarHBondContact O-N 3.43Å
71	M	84.5	Confident	91.3	Very high	72 Å²	72	60 Å²	60	36%	0.355	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113	178.8	-59.6	-154.9	-65.1	0	0	110.7	I69 Y76 I224 F228	I69-M71 HydrophobicContact CD1-CG 4.21Å; I69-M71 HydrophobicContact CD1-SD 4.5Å; I69-M71 HydrophobicContact CG1-CG 3.96Å; M71-Y76 HydrophobicContact CB-CD1 3.86Å; M71-Y76 HydrophobicContact CB-CE1 4Å; M71-Y76 HydrophobicContact CG-CD1 3.74Å; M71-Y76 HydrophobicContact CG-CE1 4.1Å; M71-Y76 HydrophobicContact SD-CD1 4.03Å; M71-Y76 HydrophobicContact SD-CE1 3.94Å; M71-I224 HydrophobicContact CE-CB 3.94Å; M71-I224 HydrophobicContact CE-CD1 4.34Å; M71-I224 HydrophobicContact CE-CG2 3.37Å; M71-F228 HydrophobicContact SD-CE2 3.58Å; M71-F228 VanDerWaalsContact SD-CE2 3.58Å; M71-F228 HydrophobicContact SD-CZ 3.54Å; M71-F228 VanDerWaalsContact SD-CZ 3.54Å
72	R	84.8	Confident	91.5	Very high	199 Å²	199	60 Å²	60	75%	0.751	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	88.4	171.7	-72.1	-168.7	-179.9	-156.1	1.5	109.5	T70 V75	T70-R72 HydrophobicContact CG2-CG 4.43Å; R72-V75 CarbonylContact C-O 3.59Å; R72-V75 WeakPolarHBondContact CA-O 3.48Å; R72-V75 PolarHBondContact N-O 2.77Å; R72-V75 CarbonylContact O-C 3.49Å; R72-V75 WeakPolarHBondContact O-CA 3.48Å; R72-V75 PolarHBondContact O-N 3.05Å
73	Q	80.8	Confident	91.7	Very high	152 Å²	152	59.9 Å²	59.9	71%	0.71	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	132.3	-174.7	-62.6	-167.5	5.4	0	0	112.1	Y76	Q73-Y76 HydrophobicContact CG-CE1 4.46Å
74	P	86.1	Confident	91.9	Very high	121 Å²	121	59.1 Å²	59.1	79%	0.786	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.2	3.8	5.9	36.5	-36.9	0	0	0	114.7
75	V	86.2	Confident	92	Very high	88 Å²	88	58 Å²	58	53%	0.533	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.6	-173.5	-176.4	0	0	0	0	111.1	R72	R72-V75 CarbonylContact C-O 3.59Å; R72-V75 WeakPolarHBondContact CA-O 3.48Å; R72-V75 PolarHBondContact N-O 2.77Å; R72-V75 CarbonylContact O-C 3.49Å; R72-V75 WeakPolarHBondContact O-CA 3.48Å; R72-V75 PolarHBondContact O-N 3.05Å
76	Y	87.9	Confident	92	Very high	87 Å²	87	60.2 Å²	60.2	34%	0.341	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.6	171.2	-54.5	-73.7	0	0	0	108.4	M71 Q73 K227	M71-Y76 HydrophobicContact CB-CD1 3.86Å; M71-Y76 HydrophobicContact CB-CE1 4Å; M71-Y76 HydrophobicContact CG-CD1 3.74Å; M71-Y76 HydrophobicContact CG-CE1 4.1Å; M71-Y76 HydrophobicContact SD-CD1 4.03Å; M71-Y76 HydrophobicContact SD-CE1 3.94Å; Q73-Y76 HydrophobicContact CG-CE1 4.46Å; Y76-K227 PolarHBondContact OH-NZ 2.86Å
77	Q	91	Very high	92.1	Very high	134 Å²	134	57.4 Å²	57.4	63%	0.626	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.4	169.8	-67.6	-178.8	-46.8	0	0	107.4	I69 T70	I69-Q77 WeakPolarHBondContact CA-O 3.36Å; T70-Q77 PolarHBondContact N-O 2.95Å; T70-Q77 PolarHBondContact O-N 3.43Å
78	M	91.9	Very high	91.9	Very high	58 Å²	58	58.7 Å²	58.7	29%	0.286	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.2	-175.2	-65.3	171.4	67.1	0	0	107.9	I69 H253	I69-M78 HydrophobicContact CD1-CE 4.32Å; I69-M78 HydrophobicContact CD1-CG 3.96Å; I69-M78 HydrophobicContact CD1-SD 4.35Å; I69-M78 HydrophobicContact CG1-CG 4.04Å; M78-H253 WeakPolarHBondContact CE-NE2 3.37Å
79	L	94.9	Very high	91.5	Very high	54 Å²	54	61.5 Å²	61.5	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.8	169.9	179.1	65.1	0	0	0	106.4	I65 G67 N68 H253	I65-L79 HydrophobicContact CG2-CD1 3.85Å; I65-L79 HydrophobicContact CG2-CD2 3.81Å; I65-L79 HydrophobicContact CG2-CG 3.76Å; G67-L79 CarbonylContact C-O 3.48Å; G67-L79 WeakPolarHBondContact CA-O 3.22Å; N68-L79 PolarHBondContact N-O 3.35Å; N68-L79 PolarHBondContact O-N 3.35Å; L79-H253 PolarHBondContact O-ND1 3.37Å
80	S	97.3	Very high	91.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.337	C	S	.	.			trans	-80.3	142	179.9	74.5	0	0	0	0	111.2	I65 V82 G100 D133 G252	I65-S80 WeakPolarHBondContact CG2-O 3.39Å; S80-V82 PolarHBondContact O-N 2.89Å; S80-G100 WeakPolarHBondContact OG-CA 3.3Å; S80-D133 WeakPolarHBondContact CB-O 3.4Å; S80-D133 PolarHBondContact OG-O 3.01Å; S80-G252 CarbonylContact C-O 3.27Å; S80-G252 VanDerWaalsContact CA-O 3.23Å; S80-G252 WeakPolarHBondContact CA-O 3.2Å
81	T	98	Very high	91.1	Very high	5 Å²	5	66.5 Å²	66.5	3%	0.031	33%	0.33	C	S	.	.			trans	-65.4	130.4	167.2	-58.8	0	0	0	0	109.9	I65 G67 V83 F250 P251 G252	I65-T81 CarbonylContact O-C 3.54Å; I65-T81 VanDerWaalsContact O-CA 3.32Å; I65-T81 WeakPolarHBondContact O-CA 3.28Å; G67-T81 WeakPolarHBondContact CA-OG1 3.27Å; G67-T81 PolarHBondContact N-OG1 3.08Å; T81-V83 HydrophobicContact CG2-CG2 3.69Å; T81-F250 HydrophobicContact CG2-CD1 4.34Å; T81-P251 VanDerWaalsContact CB-O 3.23Å; T81-P251 WeakPolarHBondContact CB-O 3.35Å; T81-P251 PolarHBondContact OG1-O 3.32Å; T81-G252 PolarHBondContact N-O 3.33Å; T81-G252 PolarHBondContact OG1-O 3.05Å
82	V	98.4	Very high	91.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.8	173.6	179.2	0	0	0	0	108.9	P63 I64 I65 S80 L96 D98 G100 L108	P63-V82 CarbonylContact C-O 3.59Å; I64-V82 HydrophobicContact CB-CG1 4.41Å; I64-V82 PolarHBondContact N-O 2.78Å; I65-V82 HydrophobicContact CB-CB 4.05Å; I65-V82 HydrophobicContact CB-CG2 4.24Å; I65-V82 HydrophobicContact CD1-CB 4.35Å; I65-V82 HydrophobicContact CD1-CG2 4Å; I65-V82 HydrophobicContact CG1-CB 4.18Å; I65-V82 HydrophobicContact CG1-CG2 4.34Å; I65-V82 PolarHBondContact N-O 2Å; I65-V82 PolarHBondContact O-N 3.4Å; S80-V82 PolarHBondContact O-N 2.89Å; V82-L96 HydrophobicContact CG1-CD1 3.78Å; V82-L96 HydrophobicContact CG1-CG 4.32Å; V82-D98 WeakPolarHBondContact CG1-O 3.08Å; V82-G100 VanDerWaalsContact CG2-N 3.34Å; V82-L108 HydrophobicContact CG1-CD1 3.87Å
83	V	98	Very high	92.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.4	-172.6	-173.5	0	0	0	0	111.2	I61 T81 V85 L96 V97 I208 F250	I61-V83 HydrophobicContact CG2-CG1 3.64Å; T81-V83 HydrophobicContact CG2-CG2 3.69Å; V83-V85 HydrophobicContact CG1-CG2 4.14Å; V83-L96 WeakPolarHBondContact O-CA 3.48Å; V83-V97 HydrophobicContact CB-CB 4.45Å; V83-V97 PolarHBondContact N-O 3.27Å; V83-V97 VanDerWaalsContact N-O 3.09Å; V83-V97 PolarHBondContact O-N 3.21Å; V83-I208 HydrophobicContact CB-CD1 4.1Å; V83-I208 HydrophobicContact CB-CG1 4.43Å; V83-I208 HydrophobicContact CB-CG2 4.24Å; V83-I208 HydrophobicContact CG1-CD1 3.73Å; V83-I208 HydrophobicContact CG1-CG1 4.27Å; V83-I208 HydrophobicContact CG2-CG1 4.33Å; V83-I208 HydrophobicContact CG2-CG2 3.84Å; V83-F250 HydrophobicContact CG2-CD1 3.96Å
84	L	97.7	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.3	163.8	170.8	68	0	0	0	109.2	I62 I64 R86 N94 L96 L112 H115 I117	I62-L84 HydrophobicContact CB-CB 4.22Å; I62-L84 WeakPolarHBondContact CB-O 3.02Å; I62-L84 HydrophobicContact CD1-CD2 4Å; I62-L84 HydrophobicContact CD1-CG 4.46Å; I62-L84 PolarHBondContact N-O 2.93Å; I62-L84 PolarHBondContact O-N 3.47Å; I64-L84 HydrophobicContact CD1-CB 4.1Å; I64-L84 HydrophobicContact CG1-CB 3.97Å; L84-R86 HydrophobicContact CD2-CG 4.33Å; L84-R86 HydrophobicContact CG-CG 4.26Å; L84-N94 HydrophobicContact CD1-CB 4.24Å; L84-L96 HydrophobicContact CB-CD1 4.48Å; L84-L112 HydrophobicContact CB-CD2 4.26Å; L84-L112 HydrophobicContact CD1-CD2 4.09Å; L84-L112 HydrophobicContact CD2-CD2 4Å; L84-L112 HydrophobicContact CG-CD2 4.34Å; L84-H115 HydrophobicContact CD2-CB 4.2Å; L84-I117 HydrophobicContact CD2-CG1 3.77Å
85	V	97	Very high	93.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.1	169.9	179.5	0	0	0	0	109.2	M60 I61 V83 D87 N94 I95 L195 V197 I208	M60-V85 VanDerWaalsContact O-CA 3.32Å; M60-V85 WeakPolarHBondContact O-CA 3.31Å; I61-V85 HydrophobicContact CD1-CB 4.33Å; I61-V85 HydrophobicContact CD1-CG1 3.95Å; I61-V85 HydrophobicContact CD1-CG2 3.65Å; V83-V85 HydrophobicContact CG1-CG2 4.14Å; V85-D87 HydrophobicContact CG1-CB 4.31Å; V85-N94 CarbonylContact O-C 3.58Å; V85-N94 WeakPolarHBondContact O-CA 3.4Å; V85-I95 HydrophobicContact CB-CB 4.22Å; V85-I95 HydrophobicContact CG1-CD1 4.45Å; V85-I95 PolarHBondContact N-O 3.13Å; V85-I95 PolarHBondContact O-N 2.77Å; V85-L195 HydrophobicContact CB-CD2 4.42Å; V85-L195 HydrophobicContact CG2-CD2 3.86Å; V85-V197 HydrophobicContact CG1-CG1 4.22Å; V85-V197 HydrophobicContact CG1-CG2 3.96Å; V85-V197 HydrophobicContact CG2-CG2 4.27Å; V85-I208 HydrophobicContact CG2-CD1 3.59Å
86	R	95.5	Very high	94.2	Very high	56 Å²	56	41.4 Å²	41.4	21%	0.211	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	104.3	172.4	-62.7	177.7	64.7	-165.6	-0.4	107.9	P59 M60 I62 L84 N91	P59-R86 CarbonylContact C-O 3.48Å; P59-R86 WeakPolarHBondContact CA-O 3.48Å; M60-R86 HydrophobicContact CB-CB 4.39Å; M60-R86 HydrophobicContact CE-CB 4.12Å; M60-R86 PolarHBondContact N-O 3.04Å; M60-R86 PolarHBondContact O-N 2.98Å; I62-R86 HydrophobicContact CD1-CG 4.4Å; L84-R86 HydrophobicContact CD2-CG 4.33Å; L84-R86 HydrophobicContact CG-CG 4.26Å; R86-N91 PolarHBondContact NE-OD1 3.18Å; R86-N91 VanDerWaalsContact NE-OD1 3.13Å; R86-N91 PolarHBondContact NH2-OD1 3.42Å
87	D	95.6	Very high	94.7	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.032	20%	0.196	C	C	.	.			trans	-114.7	59.6	-174.8	-177.2	8.1	0	0	0	110.9	P59 V85 C93 C177 K178 H179 S180	P59-D87 HydrophobicContact CB-CB 4.25Å; V85-D87 HydrophobicContact CG1-CB 4.31Å; D87-C93 PolarHBondContact N-O 2.95Å; D87-C93 VanDerWaalsContact O-CB 3.31Å; D87-C93 WeakPolarHBondContact O-CB 3.44Å; D87-C177 HydrophobicContact CB-CB 3.88Å; D87-C177 WeakPolarHBondContact OD2-CB 3.4Å; D87-K178 PolarHBondContact OD2-N 2.91Å; D87-H179 WeakPolarHBondContact OD1-CB 3.4Å; D87-H179 IonicContact OD1-CD2 3.11Å; D87-H179 PolarHBondContact OD1-CD2 2.77Å; D87-H179 IonicContact OD1-CG 3.87Å; D87-H179 PolarHBondContact OD1-N 2.88Å; D87-H179 WeakPolarHBondContact OD2-CA 3.02Å; D87-H179 PolarHBondContact OD2-N 3.03Å; D87-S180 WeakPolarHBondContact CB-OG 3.45Å; D87-S180 VanDerWaalsContact CG-OG 3.31Å; D87-S180 WeakPolarHBondContact OD2-CB 3.26Å; D87-S180 PolarHBondContact OD2-N 3.4Å; D87-S180 PolarHBondContact OD2-OG 3.21Å
88	G	89.6	Confident	95.1	Very high	30 Å²	30	31 Å²	31	31%	0.309	17%	0.167	S	C	.	.	S	Bend	trans	163.5	152	-178.6	0	0	0	0	0	111.9	T92	G88-T92 WeakPolarHBondContact CA-OG1 3.02Å
89	E	84.9	Confident	95.4	Very high	150 Å²	150	28.3 Å²	28.3	70%	0.701	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-68.9	155.1	175.2	-65.9	177.8	-170	0	0	110.6	N91 T92	E89-N91 PolarHBondContact O-N 3.49Å; E89-N91 VanDerWaalsContact O-N 3.08Å; E89-T92 WeakPolarHBondContact O-CB 3.25Å; E89-T92 VanDerWaalsContact O-CG2 3.23Å; E89-T92 WeakPolarHBondContact O-CG2 3.35Å; E89-T92 PolarHBondContact O-N 2.95Å; E89-T92 PolarHBondContact O-OG1 3.27Å
90	N	85.7	Confident	95.6	Very high	152 Å²	152	25.7 Å²	25.7	81%	0.813	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	50.4	37.4	174.1	-60.2	-34.6	0	0	0	114.7	T92	N90-T92 PolarHBondContact O-N 3.11Å
91	N	87.7	Confident	95.6	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.171	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	61.4	26.3	178.9	-64.9	-18.6	0	0	0	114.1	R86 E89 C93 N94 I117 H123	R86-N91 PolarHBondContact NE-OD1 3.18Å; R86-N91 VanDerWaalsContact NE-OD1 3.13Å; R86-N91 PolarHBondContact NH2-OD1 3.42Å; E89-N91 PolarHBondContact O-N 3.49Å; E89-N91 VanDerWaalsContact O-N 3.08Å; N91-C93 PolarHBondContact O-N 3.11Å; N91-N94 PolarHBondContact O-ND2 2.8Å; N91-I117 HydrophobicContact CB-CD1 4.47Å; N91-I117 WeakPolarHBondContact OD1-CD1 3.39Å; N91-H123 PolarHBondContact O-CE1 2.93Å
92	T	94.4	Very high	95.5	Very high	99 Å²	99	32 Å²	32	61%	0.607	18%	0.177	S	C	*	.	S	Bend	trans	-68.2	-21.2	179.2	47.4	0	0	0	0	114	G88 E89 N90	G88-T92 WeakPolarHBondContact CA-OG1 3.02Å; E89-T92 WeakPolarHBondContact O-CB 3.25Å; E89-T92 VanDerWaalsContact O-CG2 3.23Å; E89-T92 WeakPolarHBondContact O-CG2 3.35Å; E89-T92 PolarHBondContact O-N 2.95Å; E89-T92 PolarHBondContact O-OG1 3.27Å; N90-T92 PolarHBondContact O-N 3.11Å
93	C	97.4	Very high	95.5	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.047	21%	0.212	C	C	.	.			trans	-146.8	118.5	170	170	0	0	0	0	110.8	D87 N91 C177	D87-C93 PolarHBondContact N-O 2.95Å; D87-C93 VanDerWaalsContact O-CB 3.31Å; D87-C93 WeakPolarHBondContact O-CB 3.44Å; N91-C93 PolarHBondContact O-N 3.11Å; C93-C177 HydrophobicContact CB-CB 3.91Å; C93-C177 WeakPolarHBondContact CB-SG 3.39Å; C93-C177 WeakPolarHBondContact SG-CB 3.18Å; C93-C177 CovalentContact SG-SG 2Å; C93-C177 PolarHBondContact SG-SG 2.85Å
94	N	97.9	Very high	95.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.8	175	-53.8	-51.6	0	0	0	108	L84 V85 N91 Q121 H123 Y124	L84-N94 HydrophobicContact CD1-CB 4.24Å; V85-N94 CarbonylContact O-C 3.58Å; V85-N94 WeakPolarHBondContact O-CA 3.4Å; N91-N94 PolarHBondContact O-ND2 2.8Å; N94-Q121 WeakPolarHBondContact CB-O 3.47Å; N94-Q121 PolarHBondContact ND2-O 3.05Å; N94-H123 PolarHBondContact N-ND1 3.29Å; N94-H123 VanDerWaalsContact N-ND1 3.15Å; N94-H123 PolarHBondContact O-N 2.89Å; N94-Y124 PolarHBondContact O-N 3.43Å
95	I	98.7	Very high	95.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.4	-179.8	-52.9	157.1	0	0	0	106.7	V85 V97 Y124 V126 L176 S180 L195	V85-I95 HydrophobicContact CB-CB 4.22Å; V85-I95 HydrophobicContact CG1-CD1 4.45Å; V85-I95 PolarHBondContact N-O 3.13Å; V85-I95 PolarHBondContact O-N 2.77Å; I95-V97 HydrophobicContact CG2-CG2 4.37Å; I95-Y124 CarbonylContact C-O 3.56Å; I95-Y124 WeakPolarHBondContact CA-O 3.47Å; I95-Y124 HydrophobicContact CG1-CD2 3.85Å; I95-Y124 HydrophobicContact CG1-CG 4.4Å; I95-V126 HydrophobicContact CG2-CG2 3.81Å; I95-L176 HydrophobicContact CD1-CB 4.16Å; I95-L176 HydrophobicContact CD1-CD1 3.94Å; I95-L176 HydrophobicContact CG1-CD1 4.17Å; I95-L176 HydrophobicContact CG2-CD1 4.04Å; I95-S180 VanDerWaalsContact CD1-CB 3.4Å; I95-S180 WeakPolarHBondContact CD1-OG 3.43Å; I95-L195 HydrophobicContact CB-CD2 4.43Å; I95-L195 HydrophobicContact CD1-CD2 4.31Å; I95-L195 HydrophobicContact CG2-CD2 3.85Å
96	L	98.8	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.6	168.5	-170	68.5	0	0	0	108.2	V82 V83 L84 D98 T99 L108 L112 V122 Y124 V125 V126 F141	V82-L96 HydrophobicContact CG1-CD1 3.78Å; V82-L96 HydrophobicContact CG1-CG 4.32Å; V83-L96 WeakPolarHBondContact O-CA 3.48Å; L84-L96 HydrophobicContact CB-CD1 4.48Å; L96-D98 WeakPolarHBondContact CG-O 3.37Å; L96-T99 HydrophobicContact CD2-CG2 4.11Å; L96-L108 HydrophobicContact CD1-CD1 4.2Å; L96-L108 HydrophobicContact CD2-CD1 4.19Å; L96-L108 HydrophobicContact CD2-CD2 4.43Å; L96-L112 HydrophobicContact CD1-CD2 4.28Å; L96-V122 HydrophobicContact CB-CG1 3.79Å; L96-Y124 PolarHBondContact N-O 3.29Å; L96-V125 HydrophobicContact CB-CG2 4.47Å; L96-V125 CarbonylContact O-C 2.91Å; L96-V125 VanDerWaalsContact O-CA 3.3Å; L96-V125 WeakPolarHBondContact O-CA 3.49Å; L96-V126 PolarHBondContact O-N 2.68Å; L96-F141 HydrophobicContact CD2-CD2 4.23Å; L96-F141 HydrophobicContact CD2-CE1 4Å; L96-F141 HydrophobicContact CD2-CE2 3.46Å; L96-F141 VanDerWaalsContact CD2-CE2 3.46Å; L96-F141 HydrophobicContact CD2-CZ 3.32Å
97	V	98.9	Very high	95.6	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.4	173.7	-170.9	0	0	0	0	108.3	V83 I95 V126 T128 L195 I208	V83-V97 HydrophobicContact CB-CB 4.45Å; V83-V97 PolarHBondContact N-O 3.27Å; V83-V97 VanDerWaalsContact N-O 3.09Å; V83-V97 PolarHBondContact O-N 3.21Å; I95-V97 HydrophobicContact CG2-CG2 4.37Å; V97-V126 WeakPolarHBondContact CA-O 3.48Å; V97-V126 HydrophobicContact CG1-CB 4.46Å; V97-V126 HydrophobicContact CG2-CB 4.39Å; V97-T128 HydrophobicContact CG1-CG2 3.66Å; V97-L195 HydrophobicContact CG2-CB 3.96Å; V97-L195 HydrophobicContact CG2-CD2 3.42Å; V97-L195 VanDerWaalsContact CG2-CD2 3.42Å; V97-L195 HydrophobicContact CG2-CG 4.31Å; V97-I208 HydrophobicContact CB-CG2 3.89Å; V97-I208 HydrophobicContact CG1-CB 4.25Å; V97-I208 HydrophobicContact CG1-CG2 3.55Å; V97-I208 HydrophobicContact CG2-CB 4.47Å; V97-I208 HydrophobicContact CG2-CD1 4Å; V97-I208 HydrophobicContact CG2-CG2 4.31Å
98	D	98.8	Very high	95.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.011	28%	0.277	C	S	.	.			trans	54.1	174.5	-167.8	-64.5	-25.4	0	0	0	113.7	V82 L96 V126 T128 H134	V82-D98 WeakPolarHBondContact CG1-O 3.08Å; L96-D98 WeakPolarHBondContact CG-O 3.37Å; D98-V126 PolarHBondContact N-O 2.94Å; D98-T128 VanDerWaalsContact CG-OG1 3.25Å; D98-T128 WeakPolarHBondContact OD1-CG2 3.39Å; D98-T128 PolarHBondContact OD1-N 2.87Å; D98-T128 PolarHBondContact OD1-OG1 2.84Å; D98-T128 WeakPolarHBondContact OD2-CG2 3.3Å; D98-T128 PolarHBondContact OD2-OG1 2.96Å; D98-H134 CarbonylContact C-O 3.4Å; D98-H134 HydrophobicContact CB-CB 4.26Å; D98-H134 IonicContact OD2-CE1 3.58Å; D98-H134 IonicContact OD2-CG 2.77Å; D98-H134 IonicContact OD2-ND1 3.74Å; D98-H134 PolarHBondContact OD2-ND1 2.8Å
99	T	98.6	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.			trans	-140.8	4.3	-171.5	63.6	0	0	0	0	113.8	L96 V125 L127 H134 I135 G136 N137 F141	L96-T99 HydrophobicContact CD2-CG2 4.11Å; T99-V125 HydrophobicContact CG2-CG1 3.91Å; T99-L127 HydrophobicContact CG2-CD2 4.21Å; T99-H134 PolarHBondContact N-O 2.91Å; T99-H134 PolarHBondContact OG1-O 2.98Å; T99-I135 VanDerWaalsContact OG1-CA 3.26Å; T99-I135 WeakPolarHBondContact OG1-CA 3.49Å; T99-I135 PolarHBondContact OG1-O 3.33Å; T99-G136 PolarHBondContact OG1-N 3.26Å; T99-N137 WeakPolarHBondContact O-CB 3.15Å; T99-N137 PolarHBondContact O-ND2 3.2Å; T99-N137 PolarHBondContact OG1-N 2.87Å; T99-F141 HydrophobicContact CG2-CD2 4.25Å; T99-F141 HydrophobicContact CG2-CE2 4.03Å
100	G	98.3	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.			trans	73.5	-176.8	178.1	0	0	0	0	0	114.1	S80 V82 D133 G136	S80-G100 WeakPolarHBondContact OG-CA 3.3Å; V82-G100 VanDerWaalsContact CG2-N 3.34Å; G100-D133 CarbonylContact C-O 3.58Å; G100-D133 WeakPolarHBondContact CA-O 3.43Å; G100-G136 WeakPolarHBondContact O-CA 3.5Å; G100-G136 PolarHBondContact O-N 3.37Å
101	L	97.2	Very high	97.3	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.277	23%	0.23	S	C	.	.			trans	-73.2	157.4	171	-77	159.7	0	0	0	110.5	I103 D104 D133 N137	L101-I103 HydrophobicContact CB-CG2 3.88Å; L101-I103 HydrophobicContact CD1-CG2 4.46Å; L101-I103 PolarHBondContact O-N 2.63Å; L101-D104 WeakPolarHBondContact CB-OD2 3.38Å; L101-D104 PolarHBondContact N-OD2 3.11Å; L101-D104 WeakPolarHBondContact O-CB 3.5Å; L101-D104 PolarHBondContact O-N 2.83Å; L101-D133 HydrophobicContact CD1-CB 4.4Å; L101-D133 HydrophobicContact CD2-CB 3.66Å; L101-D133 HydrophobicContact CG-CB 3.72Å; L101-D133 PolarHBondContact N-O 2.86Å; L101-N137 PolarHBondContact O-ND2 2.83Å
102	P	97.5	Very high	97.7	Very high	83 Å²	83	39.7 Å²	39.7	54%	0.539	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-54.9	-29	174.4	-26.1	35.2	0	0	0	114.1	D104 R105	P102-D104 VanDerWaalsContact C-N 3.27Å; P102-D104 PolarHBondContact O-N 2.86Å; P102-R105 WeakPolarHBondContact O-CB 3.38Å; P102-R105 PolarHBondContact O-N 2.86Å
103	I	97	Very high	97.8	Very high	143 Å²	143	38.1 Å²	38.1	73%	0.733	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-69.2	-24.3	176.7	-164.1	168.6	0	0	0	112.8	L101 R105	L101-I103 HydrophobicContact CB-CG2 3.88Å; L101-I103 HydrophobicContact CD1-CG2 4.46Å; L101-I103 PolarHBondContact O-N 2.63Å; I103-R105 PolarHBondContact O-N 2.8Å
104	D	97.1	Very high	97.6	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.07	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-78.4	-1.3	-178.1	-59	-35.9	0	0	0	113.1	I65 L101 P102 N106 I107 L108	I65-D104 HydrophobicContact CD1-CB 3.79Å; L101-D104 WeakPolarHBondContact CB-OD2 3.38Å; L101-D104 PolarHBondContact N-OD2 3.11Å; L101-D104 WeakPolarHBondContact O-CB 3.5Å; L101-D104 PolarHBondContact O-N 2.83Å; P102-D104 VanDerWaalsContact C-N 3.27Å; P102-D104 PolarHBondContact O-N 2.86Å; D104-N106 PolarHBondContact O-N 3.27Å; D104-I107 PolarHBondContact O-N 2.83Å; D104-L108 PolarHBondContact O-N 3.13Å
105	R	98.1	Very high	97.3	Very high	112 Å²	112	45.9 Å²	45.9	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-42	-51	-177	-175.9	-171.8	177.7	-74	-4.3	113	P102 I103 V109 N137 L140	P102-R105 WeakPolarHBondContact O-CB 3.38Å; P102-R105 PolarHBondContact O-N 2.86Å; I103-R105 PolarHBondContact O-N 2.8Å; R105-V109 WeakPolarHBondContact O-CB 3.37Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 2.76Å; R105-N137 WeakPolarHBondContact CA-OD1 3.41Å; R105-N137 WeakPolarHBondContact CB-OD1 3.49Å; R105-L140 HydrophobicContact CG-CD1 4.01Å; R105-L140 HydrophobicContact CG-CD2 4.33Å
106	N	98.1	Very high	97	Very high	113 Å²	113	48 Å²	48	60%	0.604	29%	0.285	S	S	*	.	H	α-helix	trans	-73	-35	-173.8	-67.5	-18.3	0	0	0	112	D104 A110	D104-N106 PolarHBondContact O-N 3.27Å; N106-A110 WeakPolarHBondContact O-CB 3.18Å; N106-A110 PolarHBondContact O-N 2.74Å
107	I	97.3	Very high	96.9	Very high	98 Å²	98	48.2 Å²	48.2	50%	0.503	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-46.4	175.5	-61.4	173	0	0	0	109.3	I65 D104 A110 G111	I65-I107 HydrophobicContact CD1-CG2 4.17Å; I65-I107 HydrophobicContact CG1-CG2 3.93Å; D104-I107 PolarHBondContact O-N 2.83Å; I107-A110 PolarHBondContact O-N 2.75Å; I107-G111 PolarHBondContact O-N 3.22Å
108	L	98.2	Very high	96.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-50.8	177.2	176.2	54.8	0	0	0	112	I64 V82 L96 D104 A110 G111 L112 N137 L140 F141	I64-L108 HydrophobicContact CG2-CD1 4.03Å; V82-L108 HydrophobicContact CG1-CD1 3.87Å; L96-L108 HydrophobicContact CD1-CD1 4.2Å; L96-L108 HydrophobicContact CD2-CD1 4.19Å; L96-L108 HydrophobicContact CD2-CD2 4.43Å; D104-L108 PolarHBondContact O-N 3.13Å; L108-A110 PolarHBondContact O-N 3Å; L108-G111 PolarHBondContact O-N 2.79Å; L108-L112 HydrophobicContact CD1-CD1 4.03Å; L108-L112 HydrophobicContact CD1-CG 4.17Å; L108-L112 HydrophobicContact CG-CD1 4.37Å; L108-L112 WeakPolarHBondContact O-CG 3.19Å; L108-L112 PolarHBondContact O-N 3.18Å; L108-N137 HydrophobicContact CD2-CB 3.83Å; L108-L140 HydrophobicContact CD2-CD1 4.38Å; L108-F141 HydrophobicContact CD2-CE2 3.95Å; L108-F141 HydrophobicContact CD2-CZ 3.93Å; L108-F141 HydrophobicContact CG-CZ 4.37Å
109	V	98.4	Very high	96.7	Very high	43 Å²	43	56.7 Å²	56.7	26%	0.261	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-46.1	-179.6	172.8	0	0	0	0	111	R105 A113 L119 L140	R105-V109 WeakPolarHBondContact O-CB 3.37Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 2.76Å; V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 3.3Å; V109-L119 HydrophobicContact CG2-CD1 4.36Å; V109-L119 HydrophobicContact CG2-CD2 4.19Å; V109-L140 HydrophobicContact CG2-CD1 4Å
110	A	97.9	Very high	96.6	Very high	52 Å²	52	62.5 Å²	62.5	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-66.6	-38.9	179.5	0	0	0	0	0	112.3	N106 I107 L108 A113 T114	N106-A110 WeakPolarHBondContact O-CB 3.18Å; N106-A110 PolarHBondContact O-N 2.74Å; I107-A110 PolarHBondContact O-N 2.75Å; L108-A110 PolarHBondContact O-N 3Å; A110-A113 PolarHBondContact O-N 3.27Å; A110-T114 WeakPolarHBondContact O-CB 3.4Å; A110-T114 PolarHBondContact O-N 2.81Å; A110-T114 PolarHBondContact O-OG1 3.07Å
111	G	96.4	Very high	96.5	Very high	15 Å²	15	65.3 Å²	65.3	16%	0.155	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-47.4	176.3	0	0	0	0	0	112.2	I107 L108 A113 T114 H115	I107-G111 PolarHBondContact O-N 3.22Å; L108-G111 PolarHBondContact O-N 2.79Å; G111-A113 VanDerWaalsContact C-N 3.34Å; G111-A113 PolarHBondContact O-N 2.97Å; G111-T114 PolarHBondContact O-N 3.44Å; G111-H115 PolarHBondContact O-CD2 2.81Å; G111-H115 PolarHBondContact O-N 2.96Å
112	L	96.8	Very high	96.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-45.5	174.4	-70.2	174.1	0	0	0	111.7	I64 L84 L96 L108 T114 H115 G116 I117 L119 V122 F141	I64-L112 HydrophobicContact CD1-CD2 4.44Å; I64-L112 HydrophobicContact CG1-CD2 4.46Å; L84-L112 HydrophobicContact CB-CD2 4.26Å; L84-L112 HydrophobicContact CD1-CD2 4.09Å; L84-L112 HydrophobicContact CD2-CD2 4Å; L84-L112 HydrophobicContact CG-CD2 4.34Å; L96-L112 HydrophobicContact CD1-CD2 4.28Å; L108-L112 HydrophobicContact CD1-CD1 4.03Å; L108-L112 HydrophobicContact CD1-CG 4.17Å; L108-L112 HydrophobicContact CG-CD1 4.37Å; L108-L112 WeakPolarHBondContact O-CG 3.19Å; L108-L112 PolarHBondContact O-N 3.18Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 3.48Å; L112-H115 CarbonylContact O-C 3.57Å; L112-H115 PolarHBondContact O-N 2.75Å; L112-H115 VanDerWaalsContact O-N 3.11Å; L112-G116 PolarHBondContact O-N 2.99Å; L112-I117 CarbonylContact C-O 3.6Å; L112-I117 HydrophobicContact CB-CB 4.4Å; L112-I117 HydrophobicContact CD2-CB 4.43Å; L112-I117 HydrophobicContact CD2-CG2 4.27Å; L112-I117 PolarHBondContact O-N 2.92Å; L112-L119 HydrophobicContact CD1-CD2 3.75Å; L112-V122 HydrophobicContact CD1-CG2 4.33Å; L112-F141 HydrophobicContact CD1-CE1 3.9Å; L112-F141 HydrophobicContact CD1-CZ 3.95Å
113	A	96.4	Very high	96.6	Very high	65 Å²	65	62.5 Å²	62.5	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-39	178.9	0	0	0	0	0	112.7	V109 A110 G111 H115 G116	V109-A113 WeakPolarHBondContact O-CB 3.46Å; V109-A113 PolarHBondContact O-N 3.3Å; A110-A113 PolarHBondContact O-N 3.27Å; G111-A113 VanDerWaalsContact C-N 3.34Å; G111-A113 PolarHBondContact O-N 2.97Å; A113-H115 PolarHBondContact O-N 3.06Å; A113-G116 PolarHBondContact O-N 2.99Å
114	T	93.8	Very high	96.7	Very high	115 Å²	115	58.5 Å²	58.5	71%	0.706	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-30.5	176.3	-60.4	0	0	0	0	111.7	A110 G111 L112	A110-T114 WeakPolarHBondContact O-CB 3.4Å; A110-T114 PolarHBondContact O-N 2.81Å; A110-T114 PolarHBondContact O-OG1 3.07Å; G111-T114 PolarHBondContact O-N 3.44Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 3.48Å
115	H	91	Very high	96.8	Very high	56 Å²	56	57.9 Å²	57.9	26%	0.259	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	13.6	175.4	-67.8	-71.1	0	0	0	113.8	I62 L84 G111 L112 A113 I117	I62-H115 HydrophobicContact CD1-CB 4.43Å; I62-H115 VanDerWaalsContact CG2-CD2 3.5Å; I62-H115 WeakPolarHBondContact CG2-CD2 3.21Å; I62-H115 VanDerWaalsContact CG2-NE2 3.27Å; I62-H115 WeakPolarHBondContact CG2-NE2 3.44Å; L84-H115 HydrophobicContact CD2-CB 4.2Å; G111-H115 PolarHBondContact O-CD2 2.81Å; G111-H115 PolarHBondContact O-N 2.96Å; L112-H115 CarbonylContact O-C 3.57Å; L112-H115 PolarHBondContact O-N 2.75Å; L112-H115 VanDerWaalsContact O-N 3.11Å; A113-H115 PolarHBondContact O-N 3.06Å; H115-I117 VanDerWaalsContact C-N 3.3Å; H115-I117 PolarHBondContact O-N 3.01Å
116	G	93	Very high	96.8	Very high	45 Å²	45	52.6 Å²	52.6	46%	0.464	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	24.8	176	0	0	0	0	0	114.1	L112 A113	L112-G116 PolarHBondContact O-N 2.99Å; A113-G116 PolarHBondContact O-N 2.99Å
117	I	95.6	Very high	96.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	28%	0.275	C	S	.	.			trans	-107.9	117.1	178.8	-58	-55.5	0	0	0	109.7	L84 N91 L112 H115 Q121 V122	L84-I117 HydrophobicContact CD2-CG1 3.77Å; N91-I117 HydrophobicContact CB-CD1 4.47Å; N91-I117 WeakPolarHBondContact OD1-CD1 3.39Å; L112-I117 CarbonylContact C-O 3.6Å; L112-I117 HydrophobicContact CB-CB 4.4Å; L112-I117 HydrophobicContact CD2-CB 4.43Å; L112-I117 HydrophobicContact CD2-CG2 4.27Å; L112-I117 PolarHBondContact O-N 2.92Å; H115-I117 VanDerWaalsContact C-N 3.3Å; H115-I117 PolarHBondContact O-N 3.01Å; I117-Q121 HydrophobicContact CG2-CB 4.3Å; I117-V122 HydrophobicContact CG2-CG2 4.16Å
118	H	96.5	Very high	96.9	Very high	130 Å²	130	43 Å²	43	60%	0.602	25%	0.251	S	S	*	.			trans	-77.7	152.9	167.2	-67.6	-89.3	0	0	0	110.8	N120 Q121	H118-N120 VanDerWaalsContact CB-OD1 3.31Å; H118-N120 WeakPolarHBondContact CB-OD1 3.28Å; H118-N120 PolarHBondContact O-N 2.84Å; H118-Q121 HydrophobicContact CB-CG 4.19Å; H118-Q121 PolarHBondContact CD2-OE1 3.38Å; H118-Q121 WeakPolarHBondContact O-CA 3.29Å; H118-Q121 WeakPolarHBondContact O-CB 3.41Å; H118-Q121 PolarHBondContact O-N 3.49Å
119	L	97.6	Very high	96.9	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.267	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-55.6	-37.4	-178.1	-60.1	179.3	0	0	0	113.1	V109 L112 Q121 V122 L140 F141	V109-L119 HydrophobicContact CG2-CD1 4.36Å; V109-L119 HydrophobicContact CG2-CD2 4.19Å; L112-L119 HydrophobicContact CD1-CD2 3.75Å; L119-Q121 PolarHBondContact O-N 3.46Å; L119-V122 PolarHBondContact O-N 2.78Å; L119-L140 HydrophobicContact CD1-CB 4.43Å; L119-F141 HydrophobicContact CB-CE1 4.41Å; L119-F141 HydrophobicContact CD2-CE1 3.68Å; L119-F141 HydrophobicContact CD2-CZ 4.12Å
120	N	96.5	Very high	96.8	Very high	121 Å²	121	42.7 Å²	42.7	65%	0.647	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-75.6	-6.7	177.9	67.5	-12.9	0	0	0	114.2	H118	H118-N120 VanDerWaalsContact CB-OD1 3.31Å; H118-N120 WeakPolarHBondContact CB-OD1 3.28Å; H118-N120 PolarHBondContact O-N 2.84Å
121	Q	97	Very high	96.8	Very high	60 Å²	60	43.5 Å²	43.5	28%	0.28	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-95.8	-2.4	174.3	-63.9	177.2	-56.5	0	0	112.3	N94 I117 H118 L119 H123	N94-Q121 WeakPolarHBondContact CB-O 3.47Å; N94-Q121 PolarHBondContact ND2-O 3.05Å; I117-Q121 HydrophobicContact CG2-CB 4.3Å; H118-Q121 HydrophobicContact CB-CG 4.19Å; H118-Q121 PolarHBondContact CD2-OE1 3.38Å; H118-Q121 WeakPolarHBondContact O-CA 3.29Å; H118-Q121 WeakPolarHBondContact O-CB 3.41Å; H118-Q121 PolarHBondContact O-N 3.49Å; L119-Q121 PolarHBondContact O-N 3.46Å; Q121-H123 PolarHBondContact O-CE1 3.37Å; Q121-H123 PolarHBondContact O-N 3.43Å; Q121-H123 PolarHBondContact O-ND1 3.24Å; Q121-H123 VanDerWaalsContact O-ND1 3.07Å
122	V	98.3	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	27%	0.272	C	S	.	.			trans	-71.7	115.8	164.1	179.3	0	0	0	0	106.9	L96 L112 I117 L119 Y124 V125 F141 S144	L96-V122 HydrophobicContact CB-CG1 3.79Å; L112-V122 HydrophobicContact CD1-CG2 4.33Å; I117-V122 HydrophobicContact CG2-CG2 4.16Å; L119-V122 PolarHBondContact O-N 2.78Å; V122-Y124 VanDerWaalsContact CG1-O 3.3Å; V122-Y124 WeakPolarHBondContact CG1-O 3.25Å; V122-V125 HydrophobicContact CG1-CG2 3.92Å; V122-F141 HydrophobicContact CB-CD1 3.91Å; V122-F141 HydrophobicContact CB-CE1 4.22Å; V122-F141 HydrophobicContact CG1-CD1 4.19Å; V122-F141 HydrophobicContact CG2-CD1 3.95Å; V122-F141 HydrophobicContact CG2-CE1 3.73Å; V122-S144 PolarHBondContact O-OG 3.41Å
123	H	98	Very high	96.8	Very high	74 Å²	74	48 Å²	48	34%	0.343	28%	0.276	S	S	.	.			trans	-87.5	-38.1	-177	-62.3	93.7	0	0	0	110.9	N91 N94 Q121 R145	N91-H123 PolarHBondContact O-CE1 2.93Å; N94-H123 PolarHBondContact N-ND1 3.29Å; N94-H123 VanDerWaalsContact N-ND1 3.15Å; N94-H123 PolarHBondContact O-N 2.89Å; Q121-H123 PolarHBondContact O-CE1 3.37Å; Q121-H123 PolarHBondContact O-N 3.43Å; Q121-H123 PolarHBondContact O-ND1 3.24Å; Q121-H123 VanDerWaalsContact O-ND1 3.07Å; H123-R145 PolarHBondContact O-N 2.67Å
124	Y	98.6	Very high	96.9	Very high	60 Å²	60	45 Å²	45	24%	0.235	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.9	-176.4	-56.3	-66.9	0	0	0	110.5	N94 I95 L96 V122 R145 F147 L176 C177	N94-Y124 PolarHBondContact O-N 3.43Å; I95-Y124 CarbonylContact C-O 3.56Å; I95-Y124 WeakPolarHBondContact CA-O 3.47Å; I95-Y124 HydrophobicContact CG1-CD2 3.85Å; I95-Y124 HydrophobicContact CG1-CG 4.4Å; L96-Y124 PolarHBondContact N-O 3.29Å; V122-Y124 VanDerWaalsContact CG1-O 3.3Å; V122-Y124 WeakPolarHBondContact CG1-O 3.25Å; Y124-R145 CarbonylContact C-O 3.42Å; Y124-R145 VanDerWaalsContact CA-O 3.27Å; Y124-R145 WeakPolarHBondContact CA-O 3.32Å; Y124-R145 HydrophobicContact CD1-CB 3.96Å; Y124-R145 HydrophobicContact CE1-CB 4.25Å; Y124-F147 AromaticContact CD1-CE2 3.79Å; Y124-F147 HydrophobicContact CD1-CE2 3.79Å; Y124-F147 HydrophobicContact CE1-CE2 4.44Å; Y124-L176 HydrophobicContact CD1-CD2 4.05Å; Y124-L176 HydrophobicContact CD2-CB 4.35Å; Y124-L176 HydrophobicContact CE1-CD2 4.28Å; Y124-L176 HydrophobicContact CE2-CB 4.41Å; Y124-L176 HydrophobicContact CG-CD1 4.42Å; Y124-L176 HydrophobicContact CG-CD2 4.2Å; Y124-C177 VanDerWaalsContact CE2-SG 3.58Å
125	V	98.7	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.1	166.3	179.4	0	0	0	0	107.3	L96 T99 V122 L127 L138 F141 R145 S146 F147	L96-V125 HydrophobicContact CB-CG2 4.47Å; L96-V125 CarbonylContact O-C 2.91Å; L96-V125 VanDerWaalsContact O-CA 3.3Å; L96-V125 WeakPolarHBondContact O-CA 3.49Å; T99-V125 HydrophobicContact CG2-CG1 3.91Å; V122-V125 HydrophobicContact CG1-CG2 3.92Å; V125-L127 HydrophobicContact CG1-CD2 3.64Å; V125-L127 HydrophobicContact CG1-CG 4.22Å; V125-L138 HydrophobicContact CG1-CD1 4.12Å; V125-F141 HydrophobicContact CG2-CB 3.84Å; V125-F141 HydrophobicContact CG2-CD2 4.19Å; V125-F141 HydrophobicContact CG2-CG 4Å; V125-R145 PolarHBondContact N-O 2.83Å; V125-S146 CarbonylContact O-C 3.59Å; V125-S146 VanDerWaalsContact O-CA 3.22Å; V125-S146 WeakPolarHBondContact O-CA 3.33Å; V125-F147 PolarHBondContact O-N 3.18Å
126	V	98.7	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.4	174.5	-179.3	0	0	0	0	107.2	I95 L96 V97 D98 L176 I182 L193 L195	I95-V126 HydrophobicContact CG2-CG2 3.81Å; L96-V126 PolarHBondContact O-N 2.68Å; V97-V126 WeakPolarHBondContact CA-O 3.48Å; V97-V126 HydrophobicContact CG1-CB 4.46Å; V97-V126 HydrophobicContact CG2-CB 4.39Å; D98-V126 PolarHBondContact N-O 2.94Å; V126-L176 HydrophobicContact CG2-CD1 3.78Å; V126-I182 HydrophobicContact CG1-CD1 4.26Å; V126-I182 HydrophobicContact CG1-CG1 4.42Å; V126-I182 HydrophobicContact CG2-CD1 3.79Å; V126-I182 HydrophobicContact CG2-CG1 4.13Å; V126-L193 HydrophobicContact CG1-CB 4.36Å; V126-L193 HydrophobicContact CG1-CD1 4.39Å; V126-L195 HydrophobicContact CG2-CD1 4.47Å
127	L	98.7	Very high	97.7	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.6	173.9	-53.6	175.8	0	0	0	106.8	T99 V125 H129 I135 L138 F147 F148	T99-L127 HydrophobicContact CG2-CD2 4.21Å; V125-L127 HydrophobicContact CG1-CD2 3.64Å; V125-L127 HydrophobicContact CG1-CG 4.22Å; L127-H129 PolarHBondContact O-N 3.12Å; L127-I135 HydrophobicContact CB-CG2 4.21Å; L127-I135 HydrophobicContact CD1-CG2 4.09Å; L127-I135 HydrophobicContact CD2-CB 4.45Å; L127-I135 HydrophobicContact CD2-CG2 4.08Å; L127-I135 HydrophobicContact CG-CG2 4.34Å; L127-L138 HydrophobicContact CD1-CD1 4.18Å; L127-L138 HydrophobicContact CD1-CD2 3.81Å; L127-L138 HydrophobicContact CD2-CD1 4.37Å; L127-F147 WeakPolarHBondContact CB-O 3.32Å; L127-F147 PolarHBondContact N-O 3.25Å; L127-F148 HydrophobicContact CB-CB 4.41Å; L127-F148 HydrophobicContact CB-CD2 4.46Å; L127-F148 HydrophobicContact CD1-CB 4.41Å
128	T	98.6	Very high	97.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.217	C	C	.	.	S	Bend	trans	-59.8	-38.6	-177.8	60.9	0	0	0	0	110	V97 D98 D192 L193	V97-T128 HydrophobicContact CG1-CG2 3.66Å; D98-T128 VanDerWaalsContact CG-OG1 3.25Å; D98-T128 WeakPolarHBondContact OD1-CG2 3.39Å; D98-T128 PolarHBondContact OD1-N 2.87Å; D98-T128 PolarHBondContact OD1-OG1 2.84Å; D98-T128 WeakPolarHBondContact OD2-CG2 3.3Å; D98-T128 PolarHBondContact OD2-OG1 2.96Å; T128-D192 CarbonylContact O-C 3.33Å; T128-D192 WeakPolarHBondContact O-CA 3.39Å; T128-L193 WeakPolarHBondContact CB-O 3.19Å; T128-L193 PolarHBondContact O-N 3.36Å
129	H	98.2	Very high	97.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	22%	0.22	C	C	.	.	S	Bend	trans	-162.1	-175.2	171	65	-66.6	0	0	0	110.7	L127 H131 H134 I135 H188 T189 D192 D211	L127-H129 PolarHBondContact O-N 3.12Å; H129-H131 AromaticContact CD2-CE1 3.84Å; H129-H131 AromaticContact CD2-CG 3.37Å; H129-H131 AromaticContact CD2-ND1 3.23Å; H129-H131 PolarHBondContact CD2-ND1 2.75Å; H129-H131 WeakPolarHBondContact NE2-CB 3.47Å; H129-H131 AromaticContact NE2-CE1 3.83Å; H129-H131 AromaticContact NE2-CG 3.3Å; H129-H131 VanDerWaalsContact NE2-CG 3.3Å; H129-H131 AromaticContact NE2-ND1 2.9Å; H129-H131 PolarHBondContact NE2-ND1 3.22Å; H129-H134 AromaticContact CE1-CD2 3.25Å; H129-H134 PolarHBondContact CE1-CD2 2.82Å; H129-H134 AromaticContact CE1-CE1 3.55Å; H129-H134 AromaticContact CE1-CG 3.43Å; H129-H134 VanDerWaalsContact CE1-CG 3.43Å; H129-H134 AromaticContact CE1-ND1 3.6Å; H129-H134 AromaticContact CE1-NE2 3.36Å; H129-H134 PolarHBondContact CE1-NE2 3.35Å; H129-H134 AromaticContact ND1-CG 3.91Å; H129-H134 AromaticContact ND1-ND1 3.99Å; H129-H134 AromaticContact NE2-CD2 3.69Å; H129-H134 AromaticContact NE2-NE2 4Å; H129-I135 WeakPolarHBondContact O-CG2 3.5Å; H129-H188 AromaticContact CD2-CD2 3.49Å; H129-H188 PolarHBondContact CD2-CD2 3.33Å; H129-H188 VanDerWaalsContact CD2-CD2 3.49Å; H129-H188 AromaticContact CD2-NE2 3.73Å; H129-H188 AromaticContact CE1-CD2 4Å; H129-H188 AromaticContact NE2-CD2 3.45Å; H129-H188 PolarHBondContact NE2-CD2 3.27Å; H129-H188 AromaticContact NE2-NE2 3.29Å; H129-H188 PolarHBondContact NE2-NE2 3.2Å; H129-T189 HydrophobicContact CB-CG2 4.13Å; H129-D192 WeakPolarHBondContact CB-OD1 3.39Å; H129-D211 IonicContact CE1-OD2 3.61Å; H129-D211 PolarHBondContact CE1-OD2 3.4Å; H129-D211 IonicContact NE2-OD2 3.72Å; H129-D211 PolarHBondContact NE2-OD2 3.02Å
130	G	97.4	Very high	97.8	Very high	34 Å²	34	38.8 Å²	38.8	35%	0.351	21%	0.213	S	C	.	.			trans	-96.6	16.4	-166.5	0	0	0	0	0	115.1
131	H	97.4	Very high	97.9	Very high	69 Å²	69	33.1 Å²	33.1	32%	0.319	18%	0.183	S	C	.	.			trans	-76.7	145.1	178.5	-71	160.7	0	0	0	112.1	H129 D133 H134 I135 H188	H129-H131 AromaticContact CD2-CE1 3.84Å; H129-H131 AromaticContact CD2-CG 3.37Å; H129-H131 AromaticContact CD2-ND1 3.23Å; H129-H131 PolarHBondContact CD2-ND1 2.75Å; H129-H131 WeakPolarHBondContact NE2-CB 3.47Å; H129-H131 AromaticContact NE2-CE1 3.83Å; H129-H131 AromaticContact NE2-CG 3.3Å; H129-H131 VanDerWaalsContact NE2-CG 3.3Å; H129-H131 AromaticContact NE2-ND1 2.9Å; H129-H131 PolarHBondContact NE2-ND1 3.22Å; H131-D133 VanDerWaalsContact CB-OD1 3.27Å; H131-D133 WeakPolarHBondContact CB-OD1 3.15Å; H131-D133 PolarHBondContact O-N 2.75Å; H131-D133 VanDerWaalsContact O-N 3.14Å; H131-H134 PolarHBondContact O-N 2.82Å; H131-I135 WeakPolarHBondContact O-CG1 3.26Å; H131-I135 PolarHBondContact O-N 3.18Å; H131-H188 AromaticContact CE1-CD2 3.84Å; H131-H188 AromaticContact CE1-CE1 3.7Å; H131-H188 AromaticContact CE1-NE2 3.13Å; H131-H188 PolarHBondContact CE1-NE2 3.3Å; H131-H188 AromaticContact ND1-NE2 3.2Å; H131-H188 PolarHBondContact ND1-NE2 3.11Å; H131-H188 VanDerWaalsContact ND1-NE2 3.2Å
132	P	95.6	Very high	97.9	Very high	92 Å²	92	35.3 Å²	35.3	60%	0.597	20%	0.202	S	C	*	.	H	α-helix	trans	-59	-28.6	-171.7	-26.4	35.7	0	0	0	115.1	H134 G136	P132-H134 VanDerWaalsContact C-N 3.32Å; P132-G136 PolarHBondContact O-N 2.87Å
133	D	96.9	Very high	97.7	Very high	18 Å²	18	37.7 Å²	37.7	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-77.1	-14.8	177.9	56	-37.3	0	0	0	113.9	S80 G100 L101 H131 H253	S80-D133 WeakPolarHBondContact CB-O 3.4Å; S80-D133 PolarHBondContact OG-O 3.01Å; G100-D133 CarbonylContact C-O 3.58Å; G100-D133 WeakPolarHBondContact CA-O 3.43Å; L101-D133 HydrophobicContact CD1-CB 4.4Å; L101-D133 HydrophobicContact CD2-CB 3.66Å; L101-D133 HydrophobicContact CG-CB 3.72Å; L101-D133 PolarHBondContact N-O 2.86Å; H131-D133 VanDerWaalsContact CB-OD1 3.27Å; H131-D133 WeakPolarHBondContact CB-OD1 3.15Å; H131-D133 PolarHBondContact O-N 2.75Å; H131-D133 VanDerWaalsContact O-N 3.14Å; D133-H253 IonicContact OD2-CE1 2.91Å; D133-H253 PolarHBondContact OD2-CE1 3.09Å; D133-H253 IonicContact OD2-NE2 3.98Å
134	H	98.5	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-99.7	-25.1	174.8	-69	-102.1	0	0	0	112.8	D98 T99 H129 H131 P132 D211 H253	D98-H134 CarbonylContact C-O 3.4Å; D98-H134 HydrophobicContact CB-CB 4.26Å; D98-H134 IonicContact OD2-CE1 3.58Å; D98-H134 IonicContact OD2-CG 2.77Å; D98-H134 IonicContact OD2-ND1 3.74Å; D98-H134 PolarHBondContact OD2-ND1 2.8Å; T99-H134 PolarHBondContact N-O 2.91Å; T99-H134 PolarHBondContact OG1-O 2.98Å; H129-H134 AromaticContact CE1-CD2 3.25Å; H129-H134 PolarHBondContact CE1-CD2 2.82Å; H129-H134 AromaticContact CE1-CE1 3.55Å; H129-H134 AromaticContact CE1-CG 3.43Å; H129-H134 VanDerWaalsContact CE1-CG 3.43Å; H129-H134 AromaticContact CE1-ND1 3.6Å; H129-H134 AromaticContact CE1-NE2 3.36Å; H129-H134 PolarHBondContact CE1-NE2 3.35Å; H129-H134 AromaticContact ND1-CG 3.91Å; H129-H134 AromaticContact ND1-ND1 3.99Å; H129-H134 AromaticContact NE2-CD2 3.69Å; H129-H134 AromaticContact NE2-NE2 4Å; H131-H134 PolarHBondContact O-N 2.82Å; P132-H134 VanDerWaalsContact C-N 3.32Å; H134-D211 IonicContact CE1-OD1 3.55Å; H134-D211 IonicContact NE2-OD1 3.81Å; H134-D211 IonicContact NE2-OD2 2.79Å; H134-H253 AromaticContact NE2-CE1 3.39Å; H134-H253 PolarHBondContact NE2-CE1 3.41Å; H134-H253 AromaticContact NE2-NE2 3.4Å; H134-H253 PolarHBondContact NE2-NE2 2.53Å
135	I	98	Very high	97.6	Very high	54 Å²	54	34.5 Å²	34.5	28%	0.277	21%	0.207	S	C	.	.	H	α-helix	trans	-112.7	4	-170.9	73.3	176.7	0	0	0	114.5	T99 L127 H129 H131 N137 L138	T99-I135 VanDerWaalsContact OG1-CA 3.26Å; T99-I135 WeakPolarHBondContact OG1-CA 3.49Å; T99-I135 PolarHBondContact OG1-O 3.33Å; L127-I135 HydrophobicContact CB-CG2 4.21Å; L127-I135 HydrophobicContact CD1-CG2 4.09Å; L127-I135 HydrophobicContact CD2-CB 4.45Å; L127-I135 HydrophobicContact CD2-CG2 4.08Å; L127-I135 HydrophobicContact CG-CG2 4.34Å; H129-I135 WeakPolarHBondContact O-CG2 3.5Å; H131-I135 WeakPolarHBondContact O-CG1 3.26Å; H131-I135 PolarHBondContact O-N 3.18Å; I135-N137 VanDerWaalsContact C-N 3.26Å; I135-N137 PolarHBondContact O-N 2.75Å; I135-N137 VanDerWaalsContact O-N 3.12Å; I135-L138 WeakPolarHBondContact O-CB 3.39Å; I135-L138 PolarHBondContact O-N 2.88Å
136	G	98	Very high	97.6	Very high	19 Å²	19	34.9 Å²	34.9	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.2	-165.1	0	0	0	0	0	116.2	T99 G100 P132	T99-G136 PolarHBondContact OG1-N 3.26Å; G100-G136 WeakPolarHBondContact O-CA 3.5Å; G100-G136 PolarHBondContact O-N 3.37Å; P132-G136 PolarHBondContact O-N 2.87Å
137	N	98.5	Very high	97.5	Very high	4 Å²	4	35 Å²	35	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	19.6	178.9	-64.2	-75.5	0	0	0	113.7	T99 L101 R105 L108 I135 N139 L140 F141	T99-N137 WeakPolarHBondContact O-CB 3.15Å; T99-N137 PolarHBondContact O-ND2 3.2Å; T99-N137 PolarHBondContact OG1-N 2.87Å; L101-N137 PolarHBondContact O-ND2 2.83Å; R105-N137 WeakPolarHBondContact CA-OD1 3.41Å; R105-N137 WeakPolarHBondContact CB-OD1 3.49Å; L108-N137 HydrophobicContact CD2-CB 3.83Å; I135-N137 VanDerWaalsContact C-N 3.26Å; I135-N137 PolarHBondContact O-N 2.75Å; I135-N137 VanDerWaalsContact O-N 3.12Å; N137-N139 PolarHBondContact O-N 2.83Å; N137-N139 VanDerWaalsContact O-N 3.11Å; N137-N139 PolarHBondContact O-OD1 2.9Å; N137-L140 HydrophobicContact CB-CD1 3.76Å; N137-L140 HydrophobicContact CB-CG 4.09Å; N137-L140 WeakPolarHBondContact O-CB 3.36Å; N137-L140 WeakPolarHBondContact O-CG 3.16Å; N137-L140 PolarHBondContact O-N 2.82Å; N137-F141 WeakPolarHBondContact O-CD2 3.46Å
138	L	97.8	Very high	97.4	Very high	46 Å²	46	38 Å²	38	24%	0.241	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-53.7	-33.1	177.1	178.6	61.3	0	0	0	112.7	V125 L127 I135 L140 F141 S146	V125-L138 HydrophobicContact CG1-CD1 4.12Å; L127-L138 HydrophobicContact CD1-CD1 4.18Å; L127-L138 HydrophobicContact CD1-CD2 3.81Å; L127-L138 HydrophobicContact CD2-CD1 4.37Å; I135-L138 WeakPolarHBondContact O-CB 3.39Å; I135-L138 PolarHBondContact O-N 2.88Å; L138-L140 PolarHBondContact O-N 2.88Å; L138-L140 VanDerWaalsContact O-N 3.11Å; L138-F141 PolarHBondContact O-N 3.2Å; L138-F141 VanDerWaalsContact O-N 3.11Å; L138-S146 WeakPolarHBondContact CD1-OG 3.47Å
139	N	97.1	Very high	97.2	Very high	125 Å²	125	38.2 Å²	38.2	67%	0.668	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-60.7	-18.7	178.8	68.8	-42.2	0	0	0	114.3	N137 F141	N137-N139 PolarHBondContact O-N 2.83Å; N137-N139 VanDerWaalsContact O-N 3.11Å; N137-N139 PolarHBondContact O-OD1 2.9Å; N139-F141 PolarHBondContact O-N 2.81Å
140	L	98.2	Very high	96.9	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.12	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-74.2	-13.5	177.3	-58.3	-177.5	0	0	0	113.3	R105 L108 V109 L119 N137 L138 P142	R105-L140 HydrophobicContact CG-CD1 4.01Å; R105-L140 HydrophobicContact CG-CD2 4.33Å; L108-L140 HydrophobicContact CD2-CD1 4.38Å; V109-L140 HydrophobicContact CG2-CD1 4Å; L119-L140 HydrophobicContact CD1-CB 4.43Å; N137-L140 HydrophobicContact CB-CD1 3.76Å; N137-L140 HydrophobicContact CB-CG 4.09Å; N137-L140 WeakPolarHBondContact O-CB 3.36Å; N137-L140 WeakPolarHBondContact O-CG 3.16Å; N137-L140 PolarHBondContact O-N 2.82Å; L138-L140 PolarHBondContact O-N 2.88Å; L138-L140 VanDerWaalsContact O-N 3.11Å; L140-P142 VanDerWaalsContact O-CD 3.26Å; L140-P142 WeakPolarHBondContact O-CD 3.4Å
141	F	97.9	Very high	96.8	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	25%	0.25	C	S	.	.			trans	-121	50.8	-168.4	-55.4	-70.8	0	0	0	113.8	L96 T99 L108 L112 L119 V122 V125 N137 L138 N139 A143 S144	L96-F141 HydrophobicContact CD2-CD2 4.23Å; L96-F141 HydrophobicContact CD2-CE1 4Å; L96-F141 HydrophobicContact CD2-CE2 3.46Å; L96-F141 VanDerWaalsContact CD2-CE2 3.46Å; L96-F141 HydrophobicContact CD2-CZ 3.32Å; T99-F141 HydrophobicContact CG2-CD2 4.25Å; T99-F141 HydrophobicContact CG2-CE2 4.03Å; L108-F141 HydrophobicContact CD2-CE2 3.95Å; L108-F141 HydrophobicContact CD2-CZ 3.93Å; L108-F141 HydrophobicContact CG-CZ 4.37Å; L112-F141 HydrophobicContact CD1-CE1 3.9Å; L112-F141 HydrophobicContact CD1-CZ 3.95Å; L119-F141 HydrophobicContact CB-CE1 4.41Å; L119-F141 HydrophobicContact CD2-CE1 3.68Å; L119-F141 HydrophobicContact CD2-CZ 4.12Å; V122-F141 HydrophobicContact CB-CD1 3.91Å; V122-F141 HydrophobicContact CB-CE1 4.22Å; V122-F141 HydrophobicContact CG1-CD1 4.19Å; V122-F141 HydrophobicContact CG2-CD1 3.95Å; V122-F141 HydrophobicContact CG2-CE1 3.73Å; V125-F141 HydrophobicContact CG2-CB 3.84Å; V125-F141 HydrophobicContact CG2-CD2 4.19Å; V125-F141 HydrophobicContact CG2-CG 4Å; N137-F141 WeakPolarHBondContact O-CD2 3.46Å; L138-F141 PolarHBondContact O-N 3.2Å; L138-F141 VanDerWaalsContact O-N 3.11Å; N139-F141 PolarHBondContact O-N 2.81Å; F141-A143 PolarHBondContact O-N 2.86Å; F141-S144 WeakPolarHBondContact CB-OG 3.47Å; F141-S144 WeakPolarHBondContact O-CB 3.32Å; F141-S144 PolarHBondContact O-N 3.3Å; F141-S144 PolarHBondContact O-OG 3.01Å
142	P	96.3	Very high	96.7	Very high	106 Å²	106	43 Å²	43	69%	0.688	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.8	-173.9	29.4	-36.9	0	0	0	114.1	L140	L140-P142 VanDerWaalsContact O-CD 3.26Å; L140-P142 WeakPolarHBondContact O-CD 3.4Å
143	A	94.1	Very high	96.7	Very high	52 Å²	52	41.5 Å²	41.5	43%	0.43	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.6	178.4	0	0	0	0	0	113	F141 R154	F141-A143 PolarHBondContact O-N 2.86Å; A143-R154 PolarHBondContact O-NE 3.21Å
144	S	97.6	Very high	96.6	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.028	25%	0.246	C	C	.	.	S	Bend	trans	-72.9	152.4	-174.8	-50.5	0	0	0	0	111.6	V122 F141	V122-S144 PolarHBondContact O-OG 3.41Å; F141-S144 WeakPolarHBondContact CB-OG 3.47Å; F141-S144 WeakPolarHBondContact O-CB 3.32Å; F141-S144 PolarHBondContact O-N 3.3Å; F141-S144 PolarHBondContact O-OG 3.01Å
145	R	97.6	Very high	96.2	Very high	63 Å²	63	50.8 Å²	50.8	24%	0.238	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.7	163.6	-176.3	-178.7	-167.3	158.9	13.6	109	H123 Y124 V125 F147 M153 Y161	H123-R145 PolarHBondContact O-N 2.67Å; Y124-R145 CarbonylContact C-O 3.42Å; Y124-R145 VanDerWaalsContact CA-O 3.27Å; Y124-R145 WeakPolarHBondContact CA-O 3.32Å; Y124-R145 HydrophobicContact CD1-CB 3.96Å; Y124-R145 HydrophobicContact CE1-CB 4.25Å; V125-R145 PolarHBondContact N-O 2.83Å; R145-F147 HydrophobicContact CB-CE2 4.46Å; R145-F147 HydrophobicContact CG-CE2 3.86Å; R145-F147 HydrophobicContact CG-CZ 4.03Å; R145-M153 CarbonylContact C-O 3.52Å; R145-M153 WeakPolarHBondContact CA-O 3.14Å; R145-Y161 PolarHBondContact NH1-OH 2.9Å; R145-Y161 PolarHBondContact NH2-OH 3.4Å
146	S	98	Very high	96	Very high	7 Å²	7	57.2 Å²	57.2	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.9	-177.9	-56.2	0	0	0	0	111	V125 L138 G152 M153	V125-S146 CarbonylContact O-C 3.59Å; V125-S146 VanDerWaalsContact O-CA 3.22Å; V125-S146 WeakPolarHBondContact O-CA 3.33Å; L138-S146 WeakPolarHBondContact CD1-OG 3.47Å; S146-G152 CarbonylContact O-C 3.57Å; S146-G152 VanDerWaalsContact O-CA 3.28Å; S146-G152 WeakPolarHBondContact O-CA 3.4Å; S146-M153 PolarHBondContact N-O 3.5Å; S146-M153 PolarHBondContact O-N 3.14Å
147	F	98.1	Very high	95.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.009	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.6	177.3	-65.9	-95.6	0	0	0	110.2	Y124 V125 L127 R145 L151 Y161 V174 L176 I182 L193	Y124-F147 AromaticContact CD1-CE2 3.79Å; Y124-F147 HydrophobicContact CD1-CE2 3.79Å; Y124-F147 HydrophobicContact CE1-CE2 4.44Å; V125-F147 PolarHBondContact O-N 3.18Å; L127-F147 WeakPolarHBondContact CB-O 3.32Å; L127-F147 PolarHBondContact N-O 3.25Å; R145-F147 HydrophobicContact CB-CE2 4.46Å; R145-F147 HydrophobicContact CG-CE2 3.86Å; R145-F147 HydrophobicContact CG-CZ 4.03Å; F147-L151 WeakPolarHBondContact CA-O 3.39Å; F147-Y161 HydrophobicContact CD1-CE2 4.2Å; F147-Y161 HydrophobicContact CE1-CD2 4.33Å; F147-Y161 AromaticContact CE1-CE2 3.61Å; F147-Y161 HydrophobicContact CE1-CE2 3.61Å; F147-Y161 AromaticContact CE1-CZ 3.86Å; F147-V174 HydrophobicContact CE1-CG1 4.05Å; F147-V174 HydrophobicContact CZ-CG1 4.31Å; F147-L176 HydrophobicContact CD2-CD2 4.11Å; F147-L176 HydrophobicContact CE1-CD2 4.24Å; F147-L176 HydrophobicContact CE2-CD2 3.34Å; F147-L176 HydrophobicContact CZ-CD2 3.41Å; F147-L176 VanDerWaalsContact CZ-CD2 3.41Å; F147-I182 HydrophobicContact CB-CD1 3.72Å; F147-I182 HydrophobicContact CD1-CD1 3.73Å; F147-I182 HydrophobicContact CD2-CD1 3.89Å; F147-I182 HydrophobicContact CE1-CD1 4.28Å; F147-I182 HydrophobicContact CE2-CD1 4.43Å; F147-I182 HydrophobicContact CG-CD1 3.5Å; F147-I182 VanDerWaalsContact CG-CD1 3.5Å; F147-L193 HydrophobicContact CB-CD1 4.15Å
148	F	95.7	Very high	95.8	Very high	74 Å²	74	66.3 Å²	66.3	33%	0.325	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	122	176.9	169.1	-106.7	0	0	0	109.1	L127 R150 L151	L127-F148 HydrophobicContact CB-CB 4.41Å; L127-F148 HydrophobicContact CB-CD2 4.46Å; L127-F148 HydrophobicContact CD1-CB 4.41Å; F148-R150 PolarHBondContact O-N 2.87Å; F148-L151 PolarHBondContact N-O 3.3Å; F148-L151 PolarHBondContact O-N 2.87Å
149	G	94.3	Very high	95.6	Very high	5 Å²	5	67.9 Å²	67.9	5%	0.052	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	-128	-169.7	0	0	0	0	0	111.8	L151 L173 S191 L193	G149-L151 VanDerWaalsContact C-N 3.29Å; G149-L151 PolarHBondContact O-N 2.97Å; G149-L173 WeakPolarHBondContact O-CD2 3.15Å; G149-S191 WeakPolarHBondContact CA-O 3.41Å; G149-S191 PolarHBondContact N-O 3.05Å; G149-L193 WeakPolarHBondContact O-CD2 3.39Å
150	R	92.6	Very high	95.4	Very high	130 Å²	130	68.4 Å²	68.4	49%	0.491	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.8	178.5	-68.5	-175.9	177.7	164	0.1	114.3	F148 E160 Y161 E163 L173	F148-R150 PolarHBondContact O-N 2.87Å; R150-E160 HydrophobicContact CB-CG 4.31Å; R150-E160 CarbonylContact O-C 3.56Å; R150-E160 WeakPolarHBondContact O-CA 3.34Å; R150-Y161 PolarHBondContact O-N 3.23Å; R150-E163 IonicContact CZ-OE1 3.61Å; R150-E163 IonicContact NE-OE1 2.74Å; R150-E163 IonicContact NH2-OE1 3.58Å; R150-E163 PolarHBondContact NH2-OE1 2.97Å; R150-L173 HydrophobicContact CG-CD1 4.45Å
151	L	94.3	Very high	95.1	Very high	75 Å²	75	69.2 Å²	69.2	39%	0.393	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.3	-174.6	-64.1	173.5	0	0	0	111.2	F147 F148 G149 E160	F147-L151 WeakPolarHBondContact CA-O 3.39Å; F148-L151 PolarHBondContact N-O 3.3Å; F148-L151 PolarHBondContact O-N 2.87Å; G149-L151 VanDerWaalsContact C-N 3.29Å; G149-L151 PolarHBondContact O-N 2.97Å; L151-E160 HydrophobicContact CD2-CB 4.2Å; L151-E160 HydrophobicContact CD2-CG 4.34Å
152	G	96.1	Very high	94.4	Very high	2 Å²	2	79.1 Å²	79.1	2%	0.021	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.7	160.7	0	0	0	0	0	110.5	S146 F158 I159	S146-G152 CarbonylContact O-C 3.57Å; S146-G152 VanDerWaalsContact O-CA 3.28Å; S146-G152 WeakPolarHBondContact O-CA 3.4Å; G152-F158 CarbonylContact O-C 3.58Å; G152-F158 WeakPolarHBondContact O-CA 3.43Å; G152-I159 PolarHBondContact N-O 2.86Å; G152-I159 PolarHBondContact O-N 3.2Å
153	M	95.7	Very high	93.6	Very high	60 Å²	60	77.3 Å²	77.3	30%	0.296	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.4	-175.7	-178.1	-177.1	71.5	0	0	111.1	R145 S146 T157 F158	R145-M153 CarbonylContact C-O 3.52Å; R145-M153 WeakPolarHBondContact CA-O 3.14Å; S146-M153 PolarHBondContact N-O 3.5Å; S146-M153 PolarHBondContact O-N 3.14Å; M153-T157 CarbonylContact C-O 3.41Å; M153-T157 WeakPolarHBondContact CA-O 3.33Å; M153-F158 HydrophobicContact CB-CD1 3.96Å; M153-F158 HydrophobicContact CB-CE1 3.89Å; M153-F158 HydrophobicContact CG-CD1 3.95Å; M153-F158 HydrophobicContact CG-CE1 3.51Å; M153-F158 HydrophobicContact CG-CZ 3.82Å; M153-F158 HydrophobicContact SD-CD1 4.42Å; M153-F158 HydrophobicContact SD-CE1 3.44Å; M153-F158 WeakPolarHBondContact SD-CE1 3.41Å; M153-F158 HydrophobicContact SD-CZ 3.58Å; M153-F158 VanDerWaalsContact SD-CZ 3.58Å
154	R	94.3	Very high	92.4	Very high	164 Å²	164	77.5 Å²	77.5	62%	0.619	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	113.5	164.3	-171.6	-179.4	-175.4	-161.4	-1	109.2	A143 H156 T157	A143-R154 PolarHBondContact O-NE 3.21Å; R154-H156 PolarHBondContact O-N 2.79Å; R154-T157 PolarHBondContact N-O 3.19Å; R154-T157 PolarHBondContact O-N 3.13Å; R154-T157 VanDerWaalsContact O-N 3.08Å
155	G	91	Very high	90.4	Very high	49 Å²	49	84.5 Å²	84.5	51%	0.505	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-126.8	-169.4	0	0	0	0	0	110.9	T157	G155-T157 VanDerWaalsContact C-N 3.34Å
156	H	93.6	Very high	88.4	Confident	188 Å²	188	83.3 Å²	83.3	87%	0.87	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	3.2	177.7	-62.8	89.2	0	0	0	113.9	R154 F158	R154-H156 PolarHBondContact O-N 2.79Å; H156-F158 WeakPolarHBondContact O-CD2 3.44Å
157	T	95	Very high	85.7	Confident	93 Å²	93	95.3 Å²	95.3	57%	0.571	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.2	-177.8	-57.5	0	0	0	0	110.4	M153 R154 G155	M153-T157 CarbonylContact C-O 3.41Å; M153-T157 WeakPolarHBondContact CA-O 3.33Å; R154-T157 PolarHBondContact N-O 3.19Å; R154-T157 PolarHBondContact O-N 3.13Å; R154-T157 VanDerWaalsContact O-N 3.08Å; G155-T157 VanDerWaalsContact C-N 3.34Å
158	F	95.7	Very high	83.3	Confident	121 Å²	121	103.2 Å²	103.2	53%	0.531	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.4	177.2	-62.4	-96.2	0	0	0	110.1	G152 M153 H156	G152-F158 CarbonylContact O-C 3.58Å; G152-F158 WeakPolarHBondContact O-CA 3.43Å; M153-F158 HydrophobicContact CB-CD1 3.96Å; M153-F158 HydrophobicContact CB-CE1 3.89Å; M153-F158 HydrophobicContact CG-CD1 3.95Å; M153-F158 HydrophobicContact CG-CE1 3.51Å; M153-F158 HydrophobicContact CG-CZ 3.82Å; M153-F158 HydrophobicContact SD-CD1 4.42Å; M153-F158 HydrophobicContact SD-CE1 3.44Å; M153-F158 WeakPolarHBondContact SD-CE1 3.41Å; M153-F158 HydrophobicContact SD-CZ 3.58Å; M153-F158 VanDerWaalsContact SD-CZ 3.58Å; H156-F158 WeakPolarHBondContact O-CD2 3.44Å
159	I	94.2	Very high	81	Confident	79 Å²	79	100.3 Å²	100.3	41%	0.405	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125	173.7	-68.3	167.9	0	0	0	107.3	G152 Y161	G152-I159 PolarHBondContact N-O 2.86Å; G152-I159 PolarHBondContact O-N 3.2Å; I159-Y161 HydrophobicContact CB-CE2 4.28Å; I159-Y161 HydrophobicContact CG2-CD2 4.31Å; I159-Y161 HydrophobicContact CG2-CE2 3.9Å
160	E	92.7	Very high	79.6	Confident	136 Å²	136	105.7 Å²	105.7	64%	0.636	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.3	172.5	-167.1	-179.5	174.5	0	0	110.3	R150 L151	R150-E160 HydrophobicContact CB-CG 4.31Å; R150-E160 CarbonylContact O-C 3.56Å; R150-E160 WeakPolarHBondContact O-CA 3.34Å; L151-E160 HydrophobicContact CD2-CB 4.2Å; L151-E160 HydrophobicContact CD2-CG 4.34Å
161	Y	91.3	Very high	78.5	Confident	40 Å²	40	99.6 Å²	99.6	16%	0.157	50%	0.496	C	S	.	.			trans	-107.5	143.8	179	-71.9	-87.1	0	0	0	110.9	R145 F147 R150 I159 V174	R145-Y161 PolarHBondContact NH1-OH 2.9Å; R145-Y161 PolarHBondContact NH2-OH 3.4Å; F147-Y161 HydrophobicContact CD1-CE2 4.2Å; F147-Y161 HydrophobicContact CE1-CD2 4.33Å; F147-Y161 AromaticContact CE1-CE2 3.61Å; F147-Y161 HydrophobicContact CE1-CE2 3.61Å; F147-Y161 AromaticContact CE1-CZ 3.86Å; R150-Y161 PolarHBondContact O-N 3.23Å; I159-Y161 HydrophobicContact CB-CE2 4.28Å; I159-Y161 HydrophobicContact CG2-CD2 4.31Å; I159-Y161 HydrophobicContact CG2-CE2 3.9Å; Y161-V174 HydrophobicContact CD1-CB 4.4Å; Y161-V174 HydrophobicContact CD1-CG2 3.61Å; Y161-V174 HydrophobicContact CE1-CB 4.36Å; Y161-V174 HydrophobicContact CE1-CG2 3.22Å; Y161-V174 HydrophobicContact CG-CG2 4.46Å
162	R	85.1	Confident	78	Confident	212 Å²	212	98.5 Å²	98.5	80%	0.8	49%	0.488	S	S	*	.			trans	-112.2	139.7	174.6	-59.5	-178	72.1	96.3	-1.7	109	S164	R162-S164 PolarHBondContact O-N 3.39Å
163	E	79.5	Confident	77.5	Confident	68 Å²	68	99.1 Å²	99.1	32%	0.318	49%	0.49	S	S	.	.			trans	-60.4	135.2	175.1	-67.2	167.3	-124.1	0	0	110.2	R150 V165 K172 L173 A184	R150-E163 IonicContact CZ-OE1 3.61Å; R150-E163 IonicContact NE-OE1 2.74Å; R150-E163 IonicContact NH2-OE1 3.58Å; R150-E163 PolarHBondContact NH2-OE1 2.97Å; E163-V165 PolarHBondContact O-N 3.36Å; E163-K172 WeakPolarHBondContact CA-O 3.27Å; E163-L173 HydrophobicContact CG-CD1 4.09Å; E163-A184 HydrophobicContact CG-CB 4.13Å
164	S	67.3	Low	77.3	Confident	56 Å²	56	97.1 Å²	97.1	39%	0.392	48%	0.482	S	S	.	.			trans	-75.1	119	171.4	59.3	0	0	0	0	109.1	R162 G166 K172	R162-S164 PolarHBondContact O-N 3.39Å; S164-G166 PolarHBondContact O-N 3.25Å; S164-K172 PolarHBondContact N-O 2.77Å; S164-K172 PolarHBondContact OG-O 2.91Å
165	V	57.2	Low	77.3	Confident	150 Å²	150	93.6 Å²	93.6	91%	0.909	48%	0.475	S	S	*	.			trans	-80.7	75	173.3	-169.2	0	0	0	0	108.7	E163	E163-V165 PolarHBondContact O-N 3.36Å
166	G	53.9	Low	77.5	Confident	38 Å²	38	92.1 Å²	92.1	39%	0.392	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-88.4	152.2	175	0	0	0	0	0	112	S164 N168 G169	S164-G166 PolarHBondContact O-N 3.25Å; G166-N168 PolarHBondContact O-N 3.34Å; G166-G169 PolarHBondContact O-N 3.29Å
167	R	42.6	Very low	77.7	Confident	260 Å²	260	84.3 Å²	84.3	98%	0.981	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-25.9	178.4	-79.1	-174.8	178.7	-177.7	-0.2	114.2
168	N	46.5	Very low	77.7	Confident	167 Å²	167	87.6 Å²	87.6	89%	0.893	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	9.2	-179.3	-60.8	-5.7	0	0	0	113.3	G166	G166-N168 PolarHBondContact O-N 3.34Å
169	G	48	Very low	77.7	Confident	14 Å²	14	83 Å²	83	14%	0.144	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-138.4	60.6	-160.1	0	0	0	0	0	114	G166	G166-G169 PolarHBondContact O-N 3.29Å
170	Q	64.9	Low	77.9	Confident	117 Å²	117	79.2 Å²	79.2	55%	0.547	39%	0.389	S	S	.	.	S	Bend	trans	-61.3	138.9	161.1	-63.2	179	17.6	0	0	108.4	K172	Q170-K172 PolarHBondContact O-N 2.7Å
171	G	70.5	Confident	78.1	Confident	3 Å²	3	75.4 Å²	75.4	3%	0.031	37%	0.369	C	S	.	.	S	Bend	trans	85.1	-22.1	174.1	0	0	0	0	0	117	L173 Y183 A184	G171-L173 PolarHBondContact O-N 2.65Å; G171-L173 VanDerWaalsContact O-N 3.13Å; G171-Y183 CarbonylContact O-C 3.55Å; G171-Y183 VanDerWaalsContact O-CA 3.28Å; G171-Y183 WeakPolarHBondContact O-CA 3.32Å; G171-A184 PolarHBondContact O-N 3.45Å
172	K	82.4	Confident	78.3	Confident	52 Å²	52	73.5 Å²	73.5	23%	0.226	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	122	-179.5	-179.7	-177	159.8	178.6	0	110.7	E163 S164 Q170 N175 Y183	E163-K172 WeakPolarHBondContact CA-O 3.27Å; S164-K172 PolarHBondContact N-O 2.77Å; S164-K172 PolarHBondContact OG-O 2.91Å; Q170-K172 PolarHBondContact O-N 2.7Å; K172-N175 WeakPolarHBondContact CE-OD1 3.34Å; K172-N175 PolarHBondContact NZ-OD1 2.93Å; K172-Y183 HydrophobicContact CB-CD1 4.19Å; K172-Y183 HydrophobicContact CB-CE1 3.85Å
173	L	86.6	Confident	78.8	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.073	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-51	-171.7	-170	68.5	0	0	0	112.3	G149 R150 E163 G171 I182 L193	G149-L173 WeakPolarHBondContact O-CD2 3.15Å; R150-L173 HydrophobicContact CG-CD1 4.45Å; E163-L173 HydrophobicContact CG-CD1 4.09Å; G171-L173 PolarHBondContact O-N 2.65Å; G171-L173 VanDerWaalsContact O-N 3.13Å; L173-I182 HydrophobicContact CB-CG2 4.32Å; L173-I182 HydrophobicContact CD2-CG2 4.22Å; L173-I182 PolarHBondContact N-O 3.15Å; L173-L193 HydrophobicContact CD2-CD2 3.97Å
174	V	92	Very high	79.6	Confident	19 Å²	19	62.3 Å²	62.3	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143.5	-175.9	104.6	0	0	0	0	111.6	F147 Y161 L176 R181 I182	F147-V174 HydrophobicContact CE1-CG1 4.05Å; F147-V174 HydrophobicContact CZ-CG1 4.31Å; Y161-V174 HydrophobicContact CD1-CB 4.4Å; Y161-V174 HydrophobicContact CD1-CG2 3.61Å; Y161-V174 HydrophobicContact CE1-CB 4.36Å; Y161-V174 HydrophobicContact CE1-CG2 3.22Å; Y161-V174 HydrophobicContact CG-CG2 4.46Å; V174-L176 HydrophobicContact CG1-CD2 3.43Å; V174-L176 VanDerWaalsContact CG1-CD2 3.43Å; V174-L176 HydrophobicContact CG1-CG 3.8Å; V174-R181 CarbonylContact O-C 3.58Å; V174-R181 VanDerWaalsContact O-CA 3.29Å; V174-R181 WeakPolarHBondContact O-CA 3.22Å; V174-I182 HydrophobicContact CG1-CB 4.01Å; V174-I182 HydrophobicContact CG1-CD1 3.7Å; V174-I182 HydrophobicContact CG1-CG1 3.87Å; V174-I182 PolarHBondContact N-O 2.86Å; V174-I182 PolarHBondContact O-N 2.85Å
175	N	93.9	Very high	80.9	Confident	90 Å²	90	59.7 Å²	59.7	48%	0.481	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.3	160.8	-56.6	-52.1	0	0	0	107.2	K172 R181	K172-N175 WeakPolarHBondContact CE-OD1 3.34Å; K172-N175 PolarHBondContact NZ-OD1 2.93Å; N175-R181 VanDerWaalsContact OD1-CD 3.25Å; N175-R181 WeakPolarHBondContact OD1-CD 3.27Å; N175-R181 WeakPolarHBondContact OD1-CG 3.47Å; N175-R181 PolarHBondContact OD1-NE 2.62Å; N175-R181 VanDerWaalsContact OD1-NE 3.08Å
176	L	95.1	Very high	82.7	Confident	18 Å²	18	53.8 Å²	53.8	9%	0.094	27%	0.268	C	S	.	.			trans	-89.5	-50.2	176.3	-67.6	-179.4	0	0	0	110.9	I95 Y124 V126 F147 V174 S180 I182 L195	I95-L176 HydrophobicContact CD1-CB 4.16Å; I95-L176 HydrophobicContact CD1-CD1 3.94Å; I95-L176 HydrophobicContact CG1-CD1 4.17Å; I95-L176 HydrophobicContact CG2-CD1 4.04Å; Y124-L176 HydrophobicContact CD1-CD2 4.05Å; Y124-L176 HydrophobicContact CD2-CB 4.35Å; Y124-L176 HydrophobicContact CE1-CD2 4.28Å; Y124-L176 HydrophobicContact CE2-CB 4.41Å; Y124-L176 HydrophobicContact CG-CD1 4.42Å; Y124-L176 HydrophobicContact CG-CD2 4.2Å; V126-L176 HydrophobicContact CG2-CD1 3.78Å; F147-L176 HydrophobicContact CD2-CD2 4.11Å; F147-L176 HydrophobicContact CE1-CD2 4.24Å; F147-L176 HydrophobicContact CE2-CD2 3.34Å; F147-L176 HydrophobicContact CZ-CD2 3.41Å; F147-L176 VanDerWaalsContact CZ-CD2 3.41Å; V174-L176 HydrophobicContact CG1-CD2 3.43Å; V174-L176 VanDerWaalsContact CG1-CD2 3.43Å; V174-L176 HydrophobicContact CG1-CG 3.8Å; L176-S180 PolarHBondContact N-O 3.16Å; L176-I182 HydrophobicContact CD1-CD1 3.94Å; L176-I182 HydrophobicContact CD1-CG1 3.86Å; L176-I182 HydrophobicContact CD2-CD1 4.04Å; L176-I182 HydrophobicContact CD2-CG1 4.49Å; L176-I182 HydrophobicContact CG-CD1 4.12Å; L176-I182 HydrophobicContact CG-CG1 4.05Å; L176-L195 HydrophobicContact CD1-CD1 3.87Å
177	C	96.6	Very high	84.8	Confident	24 Å²	24	52 Å²	52	16%	0.162	25%	0.249	C	C	.	.	S	Bend	trans	-141.2	-174.7	-174.3	-64.7	0	0	0	0	109.7	D87 C93 Y124 H179 S180	D87-C177 HydrophobicContact CB-CB 3.88Å; D87-C177 WeakPolarHBondContact OD2-CB 3.4Å; C93-C177 HydrophobicContact CB-CB 3.91Å; C93-C177 WeakPolarHBondContact CB-SG 3.39Å; C93-C177 WeakPolarHBondContact SG-CB 3.18Å; C93-C177 CovalentContact SG-SG 2Å; C93-C177 PolarHBondContact SG-SG 2.85Å; Y124-C177 VanDerWaalsContact CE2-SG 3.58Å; C177-H179 VanDerWaalsContact C-N 3.29Å; C177-H179 PolarHBondContact O-N 3.09Å; C177-S180 PolarHBondContact N-O 3.11Å
178	K	95.8	Very high	87.4	Confident	161 Å²	161	40 Å²	40	70%	0.7	20%	0.204	S	C	*	.	S	Bend	trans	-58.3	-43.1	-170.7	-177.6	179	172.1	-168.6	0	112	D87 R181	D87-K178 PolarHBondContact OD2-N 2.91Å; K178-R181 PolarHBondContact O-NH2 3.01Å
179	H	96.6	Very high	89.8	Confident	24 Å²	24	33 Å²	33	11%	0.111	17%	0.168	C	C	.	.	S	Bend	trans	-107.9	-11.7	-175.8	-59.7	-81.3	0	0	0	113.2	P59 D87 C177 V197 N198 D199	P59-H179 HydrophobicContact CB-CB 4.27Å; P59-H179 HydrophobicContact CG-CB 3.73Å; D87-H179 WeakPolarHBondContact OD1-CB 3.4Å; D87-H179 IonicContact OD1-CD2 3.11Å; D87-H179 PolarHBondContact OD1-CD2 2.77Å; D87-H179 IonicContact OD1-CG 3.87Å; D87-H179 PolarHBondContact OD1-N 2.88Å; D87-H179 WeakPolarHBondContact OD2-CA 3.02Å; D87-H179 PolarHBondContact OD2-N 3.03Å; C177-H179 VanDerWaalsContact C-N 3.29Å; C177-H179 PolarHBondContact O-N 3.09Å; H179-V197 HydrophobicContact CB-CG1 4.35Å; H179-V197 WeakPolarHBondContact O-CA 3.47Å; H179-N198 WeakPolarHBondContact CB-O 3.21Å; H179-N198 PolarHBondContact O-N 3.01Å; H179-D199 IonicContact CE1-OD2 3.62Å; H179-D199 PolarHBondContact CE1-OD2 3Å; H179-D199 IonicContact ND1-OD2 3.22Å; H179-D199 PolarHBondContact ND1-OD2 3.49Å
180	S	97.3	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.8	-169.2	-52.7	0	0	0	0	114.5	D87 I95 L176 C177 V196	D87-S180 WeakPolarHBondContact CB-OG 3.45Å; D87-S180 VanDerWaalsContact CG-OG 3.31Å; D87-S180 WeakPolarHBondContact OD2-CB 3.26Å; D87-S180 PolarHBondContact OD2-N 3.4Å; D87-S180 PolarHBondContact OD2-OG 3.21Å; I95-S180 VanDerWaalsContact CD1-CB 3.4Å; I95-S180 WeakPolarHBondContact CD1-OG 3.43Å; L176-S180 PolarHBondContact N-O 3.16Å; C177-S180 PolarHBondContact N-O 3.11Å; S180-V196 WeakPolarHBondContact CA-O 3.32Å
181	R	96.3	Very high	93.6	Very high	57 Å²	57	32.3 Å²	32.3	22%	0.215	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.8	-175.9	-57.6	178	180	80.5	9.9	111.7	V174 N175 K178 Y183 V196 N198	V174-R181 CarbonylContact O-C 3.58Å; V174-R181 VanDerWaalsContact O-CA 3.29Å; V174-R181 WeakPolarHBondContact O-CA 3.22Å; N175-R181 VanDerWaalsContact OD1-CD 3.25Å; N175-R181 WeakPolarHBondContact OD1-CD 3.27Å; N175-R181 WeakPolarHBondContact OD1-CG 3.47Å; N175-R181 PolarHBondContact OD1-NE 2.62Å; N175-R181 VanDerWaalsContact OD1-NE 3.08Å; K178-R181 PolarHBondContact O-NH2 3.01Å; R181-Y183 HydrophobicContact CB-CE2 3.99Å; R181-V196 PolarHBondContact N-O 2.83Å; R181-V196 PolarHBondContact O-N 3.13Å; R181-N198 PolarHBondContact NH1-OD1 2.77Å
182	I	96.6	Very high	94.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.5	173.5	-60	178.9	0	0	0	109.3	V126 F147 L173 V174 L176 L193 S194 L195	V126-I182 HydrophobicContact CG1-CD1 4.26Å; V126-I182 HydrophobicContact CG1-CG1 4.42Å; V126-I182 HydrophobicContact CG2-CD1 3.79Å; V126-I182 HydrophobicContact CG2-CG1 4.13Å; F147-I182 HydrophobicContact CB-CD1 3.72Å; F147-I182 HydrophobicContact CD1-CD1 3.73Å; F147-I182 HydrophobicContact CD2-CD1 3.89Å; F147-I182 HydrophobicContact CE1-CD1 4.28Å; F147-I182 HydrophobicContact CE2-CD1 4.43Å; F147-I182 HydrophobicContact CG-CD1 3.5Å; F147-I182 VanDerWaalsContact CG-CD1 3.5Å; L173-I182 HydrophobicContact CB-CG2 4.32Å; L173-I182 HydrophobicContact CD2-CG2 4.22Å; L173-I182 PolarHBondContact N-O 3.15Å; V174-I182 HydrophobicContact CG1-CB 4.01Å; V174-I182 HydrophobicContact CG1-CD1 3.7Å; V174-I182 HydrophobicContact CG1-CG1 3.87Å; V174-I182 PolarHBondContact N-O 2.86Å; V174-I182 PolarHBondContact O-N 2.85Å; L176-I182 HydrophobicContact CD1-CD1 3.94Å; L176-I182 HydrophobicContact CD1-CG1 3.86Å; L176-I182 HydrophobicContact CD2-CD1 4.04Å; L176-I182 HydrophobicContact CD2-CG1 4.49Å; L176-I182 HydrophobicContact CG-CD1 4.12Å; L176-I182 HydrophobicContact CG-CG1 4.05Å; I182-L193 HydrophobicContact CG2-CB 4.14Å; I182-L193 HydrophobicContact CG2-CD1 4.04Å; I182-L193 HydrophobicContact CG2-CD2 3.73Å; I182-L193 HydrophobicContact CG2-CG 4.19Å; I182-S194 WeakPolarHBondContact CA-O 3.39Å; I182-L195 HydrophobicContact CG1-CD1 4.15Å
183	Y	95.9	Very high	95.6	Very high	31 Å²	31	30 Å²	30	12%	0.122	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	169.5	-73.9	-110	0	0	0	109.5	G171 K172 R181 L193 S194 V196 M241 I245	G171-Y183 CarbonylContact O-C 3.55Å; G171-Y183 VanDerWaalsContact O-CA 3.28Å; G171-Y183 WeakPolarHBondContact O-CA 3.32Å; K172-Y183 HydrophobicContact CB-CD1 4.19Å; K172-Y183 HydrophobicContact CB-CE1 3.85Å; R181-Y183 HydrophobicContact CB-CE2 3.99Å; Y183-L193 CarbonylContact O-C 3.53Å; Y183-L193 VanDerWaalsContact O-CA 3.32Å; Y183-L193 WeakPolarHBondContact O-CA 3.36Å; Y183-S194 PolarHBondContact N-O 2.88Å; Y183-S194 PolarHBondContact O-N 2.94Å; Y183-V196 HydrophobicContact CD2-CB 3.94Å; Y183-V196 HydrophobicContact CD2-CG2 3.52Å; Y183-V196 HydrophobicContact CE2-CB 3.76Å; Y183-V196 HydrophobicContact CE2-CG1 4.43Å; Y183-V196 HydrophobicContact CE2-CG2 3.71Å; Y183-V196 HydrophobicContact CG-CG2 4.27Å; Y183-M241 HydrophobicContact CD1-CE 4.01Å; Y183-M241 HydrophobicContact CD1-SD 4.33Å; Y183-I245 HydrophobicContact CD1-CD1 4.43Å; Y183-I245 HydrophobicContact CE1-CD1 3.95Å
184	A	95	Very high	96.2	Very high	14 Å²	14	29.4 Å²	29.4	12%	0.116	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122	164.7	0	0	0	0	0	108.8	E163 G171	E163-A184 HydrophobicContact CG-CB 4.13Å; G171-A184 PolarHBondContact O-N 3.45Å
185	T	96	Very high	96.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.			trans	-133.1	35.4	-170.8	45	0	0	0	0	112.4	G187 D192 S194 L212 N238 M241 I242	T185-G187 PolarHBondContact O-N 2.78Å; T185-D192 PolarHBondContact N-O 3.41Å; T185-S194 WeakPolarHBondContact CG2-OG 3.48Å; T185-S194 PolarHBondContact OG1-N 3.46Å; T185-S194 PolarHBondContact OG1-OG 3.5Å; T185-L212 HydrophobicContact CG2-CD2 4.13Å; T185-N238 WeakPolarHBondContact CA-ND2 3.27Å; T185-N238 HydrophobicContact CG2-CB 4.28Å; T185-N238 PolarHBondContact O-ND2 2.79Å; T185-M241 HydrophobicContact CG2-CE 3.63Å; T185-I242 HydrophobicContact CG2-CD1 4.13Å; T185-I242 HydrophobicContact CG2-CG1 4.09Å
186	A	95.3	Very high	96.7	Very high	27 Å²	27	24.3 Å²	24.3	22%	0.223	13%	0.132	C	C	.	.			trans	-43	137.5	-179.7	0	0	0	0	0	113.8	T189 H234 N238	A186-T189 CarbonylContact C-O 3.59Å; A186-T189 WeakPolarHBondContact CA-O 3.26Å; A186-H234 CarbonylContact O-C 3.25Å; A186-H234 VanDerWaalsContact O-C 3.27Å; A186-H234 WeakPolarHBondContact O-CB 3.42Å; A186-N238 PolarHBondContact N-ND2 3.45Å; A186-N238 PolarHBondContact O-ND2 3.38Å
187	G	96.4	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	171.4	-65.6	-176.9	0	0	0	0	0	112.3	T185 T189 D192 S229 S230 F231 Q235	T185-G187 PolarHBondContact O-N 2.78Å; G187-T189 VanDerWaalsContact C-N 3.33Å; G187-T189 PolarHBondContact N-O 3.3Å; G187-D192 PolarHBondContact N-OD2 3.37Å; G187-S229 PolarHBondContact O-OG 2.86Å; G187-S230 PolarHBondContact O-N 3.04Å; G187-F231 CarbonylContact O-C 3.54Å; G187-F231 WeakPolarHBondContact O-CA 3.45Å; G187-F231 WeakPolarHBondContact O-CB 3.16Å; G187-F231 PolarHBondContact O-N 2.84Å; G187-Q235 VanDerWaalsContact CA-CB 3.46Å
188	H	97.7	Very high	96.8	Very high	7 Å²	7	24 Å²	24	3%	0.032	13%	0.129	C	C	.	.	S	Bend	trans	-61.2	-47.8	172.2	177.2	66	0	0	0	110.2	H129 H131 D192 D211 F228 S230	H129-H188 AromaticContact CD2-CD2 3.49Å; H129-H188 PolarHBondContact CD2-CD2 3.33Å; H129-H188 VanDerWaalsContact CD2-CD2 3.49Å; H129-H188 AromaticContact CD2-NE2 3.73Å; H129-H188 AromaticContact CE1-CD2 4Å; H129-H188 AromaticContact NE2-CD2 3.45Å; H129-H188 PolarHBondContact NE2-CD2 3.27Å; H129-H188 AromaticContact NE2-NE2 3.29Å; H129-H188 PolarHBondContact NE2-NE2 3.2Å; H131-H188 AromaticContact CE1-CD2 3.84Å; H131-H188 AromaticContact CE1-CE1 3.7Å; H131-H188 AromaticContact CE1-NE2 3.13Å; H131-H188 PolarHBondContact CE1-NE2 3.3Å; H131-H188 AromaticContact ND1-NE2 3.2Å; H131-H188 PolarHBondContact ND1-NE2 3.11Å; H131-H188 VanDerWaalsContact ND1-NE2 3.2Å; H188-D192 WeakPolarHBondContact CA-OD2 3.49Å; H188-D192 VanDerWaalsContact CB-OD2 3.32Å; H188-D192 WeakPolarHBondContact CB-OD2 3.32Å; H188-D192 PolarHBondContact N-OD2 3.43Å; H188-D211 HydrophobicContact CB-CB 4.16Å; H188-D211 WeakPolarHBondContact CD2-CB 3.34Å; H188-D211 IonicContact CD2-OD2 2.77Å; H188-D211 IonicContact CE1-OD2 3.57Å; H188-D211 PolarHBondContact CE1-OD2 3.38Å; H188-D211 VanDerWaalsContact NE2-CB 3.27Å; H188-D211 WeakPolarHBondContact NE2-CB 3.37Å; H188-D211 IonicContact NE2-OD2 3.34Å; H188-D211 PolarHBondContact NE2-OD2 3.34Å; H188-F228 PolarHBondContact ND1-O 3.13Å; H188-S230 WeakPolarHBondContact O-CB 3.35Å; H188-S230 PolarHBondContact O-N 3.23Å; H188-S230 PolarHBondContact O-OG 3.34Å
189	T	98.1	Very high	96.7	Very high	22 Å²	22	21.5 Å²	21.5	14%	0.135	12%	0.123	C	C	.	.	S	Bend	trans	-127.7	173.3	164.6	87.2	0	0	0	0	110.7	H129 A186 G187 S191 D192	H129-T189 HydrophobicContact CB-CG2 4.13Å; A186-T189 CarbonylContact C-O 3.59Å; A186-T189 WeakPolarHBondContact CA-O 3.26Å; G187-T189 VanDerWaalsContact C-N 3.33Å; G187-T189 PolarHBondContact N-O 3.3Å; T189-S191 PolarHBondContact O-N 3.19Å; T189-S191 PolarHBondContact OG1-N 2.99Å; T189-D192 WeakPolarHBondContact CA-OD1 3.33Å; T189-D192 VanDerWaalsContact CB-OD1 3.22Å; T189-D192 WeakPolarHBondContact CB-OD1 3.43Å; T189-D192 VanDerWaalsContact N-CG 3.28Å; T189-D192 PolarHBondContact N-OD1 2.94Å; T189-D192 PolarHBondContact N-OD2 3.29Å; T189-D192 VanDerWaalsContact O-CG 3.31Å; T189-D192 PolarHBondContact OG1-OD1 2.74Å
190	S	95.9	Very high	96.5	Very high	82 Å²	82	20.5 Å²	20.5	57%	0.573	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.7	176.6	58.9	0	0	0	0	113.7
191	S	95.7	Very high	96.1	Very high	34 Å²	34	24.6 Å²	24.6	24%	0.238	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	20.8	-170.8	-60.4	0	0	0	0	112.9	G149 T189	G149-S191 WeakPolarHBondContact CA-O 3.41Å; G149-S191 PolarHBondContact N-O 3.05Å; T189-S191 PolarHBondContact O-N 3.19Å; T189-S191 PolarHBondContact OG1-N 2.99Å
192	D	97.8	Very high	95.5	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.032	16%	0.158	C	C	.	.			trans	-68.9	142.4	-174.7	-53.8	-24.9	0	0	0	112.5	T128 H129 T185 G187 H188 T189	T128-D192 CarbonylContact O-C 3.33Å; T128-D192 WeakPolarHBondContact O-CA 3.39Å; H129-D192 WeakPolarHBondContact CB-OD1 3.39Å; T185-D192 PolarHBondContact N-O 3.41Å; G187-D192 PolarHBondContact N-OD2 3.37Å; H188-D192 WeakPolarHBondContact CA-OD2 3.49Å; H188-D192 VanDerWaalsContact CB-OD2 3.32Å; H188-D192 WeakPolarHBondContact CB-OD2 3.32Å; H188-D192 PolarHBondContact N-OD2 3.43Å; T189-D192 WeakPolarHBondContact CA-OD1 3.33Å; T189-D192 VanDerWaalsContact CB-OD1 3.22Å; T189-D192 WeakPolarHBondContact CB-OD1 3.43Å; T189-D192 VanDerWaalsContact N-CG 3.28Å; T189-D192 PolarHBondContact N-OD1 2.94Å; T189-D192 PolarHBondContact N-OD2 3.29Å; T189-D192 VanDerWaalsContact O-CG 3.31Å; T189-D192 PolarHBondContact OG1-OD1 2.74Å
193	L	97.8	Very high	95.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.9	176	-61.5	-179.1	0	0	0	111	V126 T128 F147 G149 L173 I182 Y183	V126-L193 HydrophobicContact CG1-CB 4.36Å; V126-L193 HydrophobicContact CG1-CD1 4.39Å; T128-L193 WeakPolarHBondContact CB-O 3.19Å; T128-L193 PolarHBondContact O-N 3.36Å; F147-L193 HydrophobicContact CB-CD1 4.15Å; G149-L193 WeakPolarHBondContact O-CD2 3.39Å; L173-L193 HydrophobicContact CD2-CD2 3.97Å; I182-L193 HydrophobicContact CG2-CB 4.14Å; I182-L193 HydrophobicContact CG2-CD1 4.04Å; I182-L193 HydrophobicContact CG2-CD2 3.73Å; I182-L193 HydrophobicContact CG2-CG 4.19Å; Y183-L193 CarbonylContact O-C 3.53Å; Y183-L193 VanDerWaalsContact O-CA 3.32Å; Y183-L193 WeakPolarHBondContact O-CA 3.36Å
194	S	98.2	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.5	165.7	-58.4	0	0	0	0	110.4	I182 Y183 T185 I208	I182-S194 WeakPolarHBondContact CA-O 3.39Å; Y183-S194 PolarHBondContact N-O 2.88Å; Y183-S194 PolarHBondContact O-N 2.94Å; T185-S194 WeakPolarHBondContact CG2-OG 3.48Å; T185-S194 PolarHBondContact OG1-N 3.46Å; T185-S194 PolarHBondContact OG1-OG 3.5Å; S194-I208 CarbonylContact C-O 3.55Å; S194-I208 WeakPolarHBondContact CA-O 3.4Å
195	L	98.4	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.3	169.9	-174.3	71.6	0	0	0	109.1	V85 I95 V97 V126 L176 I182 V197 A207 I208	V85-L195 HydrophobicContact CB-CD2 4.42Å; V85-L195 HydrophobicContact CG2-CD2 3.86Å; I95-L195 HydrophobicContact CB-CD2 4.43Å; I95-L195 HydrophobicContact CD1-CD2 4.31Å; I95-L195 HydrophobicContact CG2-CD2 3.85Å; V97-L195 HydrophobicContact CG2-CB 3.96Å; V97-L195 HydrophobicContact CG2-CD2 3.42Å; V97-L195 VanDerWaalsContact CG2-CD2 3.42Å; V97-L195 HydrophobicContact CG2-CG 4.31Å; V126-L195 HydrophobicContact CG2-CD1 4.47Å; L176-L195 HydrophobicContact CD1-CD1 3.87Å; I182-L195 HydrophobicContact CG1-CD1 4.15Å; L195-V197 HydrophobicContact CD2-CG2 3.99Å; L195-V197 HydrophobicContact CG-CG2 4.05Å; L195-A207 CarbonylContact O-C 3.5Å; L195-A207 WeakPolarHBondContact O-CA 3.32Å; L195-I208 HydrophobicContact CD2-CD1 4.14Å; L195-I208 PolarHBondContact N-O 3.17Å; L195-I208 PolarHBondContact O-N 2.99Å
196	V	97.8	Very high	95.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.9	174.1	-179.8	0	0	0	0	109.1	S180 R181 Y183 T205 V206 A207 I242 I245	S180-V196 WeakPolarHBondContact CA-O 3.32Å; R181-V196 PolarHBondContact N-O 2.83Å; R181-V196 PolarHBondContact O-N 3.13Å; Y183-V196 HydrophobicContact CD2-CB 3.94Å; Y183-V196 HydrophobicContact CD2-CG2 3.52Å; Y183-V196 HydrophobicContact CE2-CB 3.76Å; Y183-V196 HydrophobicContact CE2-CG1 4.43Å; Y183-V196 HydrophobicContact CE2-CG2 3.71Å; Y183-V196 HydrophobicContact CG-CG2 4.27Å; V196-T205 HydrophobicContact CG1-CG2 3.53Å; V196-V206 CarbonylContact C-O 3.58Å; V196-V206 WeakPolarHBondContact CA-O 3.44Å; V196-A207 HydrophobicContact CG2-CB 4.3Å; V196-I242 HydrophobicContact CG2-CD1 4.08Å; V196-I245 HydrophobicContact CG2-CD1 4.11Å
197	V	97.7	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.5	-177.9	-169.9	0	0	0	0	108.8	P59 I61 V85 H179 L195 V200 T205 V206	P59-V197 HydrophobicContact CB-CG1 3.64Å; P59-V197 HydrophobicContact CG-CG1 3.69Å; I61-V197 HydrophobicContact CD1-CB 3.94Å; I61-V197 HydrophobicContact CD1-CG1 4.03Å; I61-V197 HydrophobicContact CD1-CG2 3.85Å; V85-V197 HydrophobicContact CG1-CG1 4.22Å; V85-V197 HydrophobicContact CG1-CG2 3.96Å; V85-V197 HydrophobicContact CG2-CG2 4.27Å; H179-V197 HydrophobicContact CB-CG1 4.35Å; H179-V197 WeakPolarHBondContact O-CA 3.47Å; L195-V197 HydrophobicContact CD2-CG2 3.99Å; L195-V197 HydrophobicContact CG-CG2 4.05Å; V197-V200 HydrophobicContact CB-CG2 4.09Å; V197-V200 HydrophobicContact CG1-CG2 3.75Å; V197-T205 WeakPolarHBondContact O-CA 3.45Å; V197-V206 PolarHBondContact N-O 2.79Å; V197-V206 PolarHBondContact O-N 2.79Å
198	N	95.8	Very high	95.4	Very high	37 Å²	37	24.8 Å²	24.8	20%	0.198	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	166.4	178.9	-59.8	111	0	0	0	111.8	P59 H179 R181 V200 T205	P59-N198 WeakPolarHBondContact CG-O 3.31Å; H179-N198 WeakPolarHBondContact CB-O 3.21Å; H179-N198 PolarHBondContact O-N 3.01Å; R181-N198 PolarHBondContact NH1-OD1 2.77Å; N198-V200 PolarHBondContact O-N 3.23Å; N198-T205 VanDerWaalsContact ND2-CG2 3.33Å; N198-T205 WeakPolarHBondContact ND2-CG2 3.26Å; N198-T205 PolarHBondContact ND2-OG1 3.04Å
199	D	94.6	Very high	95.4	Very high	107 Å²	107	24.5 Å²	24.5	57%	0.572	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	58.5	29.7	171.8	-46.3	-50.8	0	0	0	114.8	H179 Q201 G204	H179-D199 IonicContact CE1-OD2 3.62Å; H179-D199 PolarHBondContact CE1-OD2 3Å; H179-D199 IonicContact ND1-OD2 3.22Å; H179-D199 PolarHBondContact ND1-OD2 3.49Å; D199-Q201 PolarHBondContact O-N 3.47Å; D199-G204 PolarHBondContact N-O 3.47Å
200	V	92.6	Very high	95.4	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.7	177	-176.1	0	0	0	0	109.2	P59 I61 V197 N198 G202 Y203 G204 V206	P59-V200 HydrophobicContact CG-CG2 4.04Å; I61-V200 HydrophobicContact CD1-CG2 4.16Å; I61-V200 HydrophobicContact CG1-CB 4.47Å; I61-V200 HydrophobicContact CG1-CG1 3.74Å; I61-V200 HydrophobicContact CG1-CG2 3.86Å; V197-V200 HydrophobicContact CB-CG2 4.09Å; V197-V200 HydrophobicContact CG1-CG2 3.75Å; N198-V200 PolarHBondContact O-N 3.23Å; V200-G202 PolarHBondContact O-N 3.41Å; V200-Y203 HydrophobicContact CG1-CD2 3.88Å; V200-Y203 HydrophobicContact CG1-CG 4.48Å; V200-Y203 PolarHBondContact O-N 2.82Å; V200-G204 WeakPolarHBondContact CB-O 3.38Å; V200-G204 PolarHBondContact N-O 3.28Å; V200-G204 PolarHBondContact O-N 2.97Å; V200-V206 HydrophobicContact CB-CG2 3.91Å; V200-V206 HydrophobicContact CG1-CG2 4.08Å; V200-V206 HydrophobicContact CG2-CB 4.23Å; V200-V206 HydrophobicContact CG2-CG2 3.79Å
201	Q	87.7	Confident	95.5	Very high	86 Å²	86	20 Å²	20	40%	0.402	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	124.9	-178.2	-169.4	-178.5	-15.1	0	0	111.6	Y55 D199 Y203	Y55-Q201 HydrophobicContact CD1-CB 3.99Å; Y55-Q201 HydrophobicContact CE1-CB 3.59Å; Y55-Q201 PolarHBondContact OH-O 2.76Å; D199-Q201 PolarHBondContact O-N 3.47Å; Q201-Y203 PolarHBondContact O-N 2.81Å
202	G	85.3	Confident	95.6	Very high	63 Å²	63	18.4 Å²	18.4	65%	0.649	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-13.4	-179.7	0	0	0	0	0	115.7	V200 R258	V200-G202 PolarHBondContact O-N 3.41Å; G202-R258 PolarHBondContact O-NH2 3.09Å; G202-R258 VanDerWaalsContact O-NH2 3.13Å
203	Y	89.3	Confident	95.6	Very high	17 Å²	17	18.1 Å²	18.1	7%	0.067	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-31.4	178.4	-68.9	-46	0	0	0	114.3	I45 P50 V200 Q201 V206 D247 V248	I45-Y203 HydrophobicContact CD1-CD1 4.43Å; I45-Y203 HydrophobicContact CD1-CE1 3.79Å; P50-Y203 WeakPolarHBondContact CD-OH 3.5Å; P50-Y203 HydrophobicContact CG-CD2 4.35Å; P50-Y203 HydrophobicContact CG-CE2 3.6Å; V200-Y203 HydrophobicContact CG1-CD2 3.88Å; V200-Y203 HydrophobicContact CG1-CG 4.48Å; V200-Y203 PolarHBondContact O-N 2.82Å; Q201-Y203 PolarHBondContact O-N 2.81Å; Y203-V206 HydrophobicContact CD2-CG2 4.17Å; Y203-V206 HydrophobicContact CG-CG2 4.16Å; Y203-D247 WeakPolarHBondContact O-CB 3.39Å; Y203-V248 HydrophobicContact CD1-CG2 3.63Å; Y203-V248 HydrophobicContact CE1-CG2 4.39Å; Y203-V248 HydrophobicContact CG-CG2 4.06Å
204	G	93.4	Very high	95.5	Very high	29 Å²	29	18.3 Å²	18.3	30%	0.299	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-120.7	-170.7	0	0	0	0	0	110.5	D199 V200	D199-G204 PolarHBondContact N-O 3.47Å; V200-G204 WeakPolarHBondContact CB-O 3.38Å; V200-G204 PolarHBondContact N-O 3.28Å; V200-G204 PolarHBondContact O-N 2.97Å
205	T	95.6	Very high	95.2	Very high	20 Å²	20	18.4 Å²	18.4	12%	0.123	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.8	174.9	-59.3	0	0	0	0	111.2	V196 V197 N198 I245 D247 V248	V196-T205 HydrophobicContact CG1-CG2 3.53Å; V197-T205 WeakPolarHBondContact O-CA 3.45Å; N198-T205 VanDerWaalsContact ND2-CG2 3.33Å; N198-T205 WeakPolarHBondContact ND2-CG2 3.26Å; N198-T205 PolarHBondContact ND2-OG1 3.04Å; T205-I245 VanDerWaalsContact CG2-O 3.26Å; T205-I245 WeakPolarHBondContact CG2-O 3.05Å; T205-D247 PolarHBondContact N-OD2 2.91Å; T205-D247 PolarHBondContact O-N 3.01Å; T205-V248 PolarHBondContact O-N 2.91Å; T205-V248 VanDerWaalsContact O-N 3.13Å
206	V	97.1	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.8	178.1	-178.6	0	0	0	0	109.9	I61 V196 V197 V200 Y203 I208 V248 F250	I61-V206 HydrophobicContact CD1-CB 4.47Å; I61-V206 HydrophobicContact CG1-CB 4.21Å; I61-V206 HydrophobicContact CG1-CG1 4.22Å; I61-V206 HydrophobicContact CG1-CG2 4.12Å; I61-V206 HydrophobicContact CG2-CG1 4.37Å; V196-V206 CarbonylContact C-O 3.58Å; V196-V206 WeakPolarHBondContact CA-O 3.44Å; V197-V206 PolarHBondContact N-O 2.79Å; V197-V206 PolarHBondContact O-N 2.79Å; V200-V206 HydrophobicContact CB-CG2 3.91Å; V200-V206 HydrophobicContact CG1-CG2 4.08Å; V200-V206 HydrophobicContact CG2-CB 4.23Å; V200-V206 HydrophobicContact CG2-CG2 3.79Å; Y203-V206 HydrophobicContact CD2-CG2 4.17Å; Y203-V206 HydrophobicContact CG-CG2 4.16Å; V206-I208 HydrophobicContact CG1-CG1 4.39Å; V206-V248 CarbonylContact C-O 3.52Å; V206-V248 WeakPolarHBondContact CA-O 3.12Å; V206-V248 HydrophobicContact CG2-CB 4.28Å; V206-F250 HydrophobicContact CG1-CD2 3.59Å; V206-F250 HydrophobicContact CG1-CE2 3.72Å
207	A	98.1	Very high	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.6	169.1	0	0	0	0	0	110.3	L195 V196 T209 I242 V248 V249 F250	L195-A207 CarbonylContact O-C 3.5Å; L195-A207 WeakPolarHBondContact O-CA 3.32Å; V196-A207 HydrophobicContact CG2-CB 4.3Å; A207-T209 HydrophobicContact CB-CG2 3.77Å; A207-I242 HydrophobicContact CB-CG2 3.61Å; A207-V248 PolarHBondContact N-O 2.89Å; A207-V249 CarbonylContact O-C 3.53Å; A207-V249 WeakPolarHBondContact O-CA 3.32Å; A207-F250 PolarHBondContact O-N 3.17Å
208	I	98.6	Very high	93.9	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.9	172.5	-54.4	145.5	0	0	0	106.8	I61 V83 V85 V97 S194 L195 V206 F250	I61-I208 HydrophobicContact CD1-CD1 4.43Å; V83-I208 HydrophobicContact CB-CD1 4.1Å; V83-I208 HydrophobicContact CB-CG1 4.43Å; V83-I208 HydrophobicContact CB-CG2 4.24Å; V83-I208 HydrophobicContact CG1-CD1 3.73Å; V83-I208 HydrophobicContact CG1-CG1 4.27Å; V83-I208 HydrophobicContact CG2-CG1 4.33Å; V83-I208 HydrophobicContact CG2-CG2 3.84Å; V85-I208 HydrophobicContact CG2-CD1 3.59Å; V97-I208 HydrophobicContact CB-CG2 3.89Å; V97-I208 HydrophobicContact CG1-CB 4.25Å; V97-I208 HydrophobicContact CG1-CG2 3.55Å; V97-I208 HydrophobicContact CG2-CB 4.47Å; V97-I208 HydrophobicContact CG2-CD1 4Å; V97-I208 HydrophobicContact CG2-CG2 4.31Å; S194-I208 CarbonylContact C-O 3.55Å; S194-I208 WeakPolarHBondContact CA-O 3.4Å; L195-I208 HydrophobicContact CD2-CD1 4.14Å; L195-I208 PolarHBondContact N-O 3.17Å; L195-I208 PolarHBondContact O-N 2.99Å; V206-I208 HydrophobicContact CG1-CG1 4.39Å; I208-F250 HydrophobicContact CB-CB 4.33Å; I208-F250 HydrophobicContact CG1-CB 4.09Å; I208-F250 HydrophobicContact CG1-CG 4.38Å; I208-F250 HydrophobicContact CG2-CB 4.2Å
209	T	98.5	Very high	93.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	13%	0.134	C	C	.	.			trans	-118.2	-7.8	-151.3	61.4	0	0	0	0	115.6	A207 L212 F213 I242 V249 F250	A207-T209 HydrophobicContact CB-CG2 3.77Å; T209-L212 HydrophobicContact CG2-CD2 4.46Å; T209-L212 WeakPolarHBondContact O-CB 3.2Å; T209-L212 PolarHBondContact O-N 3.24Å; T209-F213 HydrophobicContact CG2-CD2 4.19Å; T209-I242 HydrophobicContact CG2-CG2 3.87Å; T209-V249 HydrophobicContact CG2-CG1 3.85Å; T209-F250 PolarHBondContact N-O 3.12Å; T209-F250 PolarHBondContact OG1-O 3.37Å
210	G	98.4	Very high	92.7	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	52.6	-141.8	-167	0	0	0	0	0	109.9	L212 F213 G252	G210-L212 PolarHBondContact O-N 2.74Å; G210-F213 PolarHBondContact O-N 2.75Å; G210-G252 PolarHBondContact O-N 2.91Å
211	D	97.9	Very high	91.9	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-82.1	10.3	-174.5	-72.2	-2.1	0	0	0	114.8	H129 H134 H188 F213 Q235 H253	H129-D211 IonicContact CE1-OD2 3.61Å; H129-D211 PolarHBondContact CE1-OD2 3.4Å; H129-D211 IonicContact NE2-OD2 3.72Å; H129-D211 PolarHBondContact NE2-OD2 3.02Å; H134-D211 IonicContact CE1-OD1 3.55Å; H134-D211 IonicContact NE2-OD1 3.81Å; H134-D211 IonicContact NE2-OD2 2.79Å; H188-D211 HydrophobicContact CB-CB 4.16Å; H188-D211 WeakPolarHBondContact CD2-CB 3.34Å; H188-D211 IonicContact CD2-OD2 2.77Å; H188-D211 IonicContact CE1-OD2 3.57Å; H188-D211 PolarHBondContact CE1-OD2 3.38Å; H188-D211 VanDerWaalsContact NE2-CB 3.27Å; H188-D211 WeakPolarHBondContact NE2-CB 3.37Å; H188-D211 IonicContact NE2-OD2 3.34Å; H188-D211 PolarHBondContact NE2-OD2 3.34Å; D211-F213 PolarHBondContact O-N 3.37Å; D211-Q235 PolarHBondContact O-NE2 3.02Å; D211-H253 IonicContact OD1-CD2 3.09Å; D211-H253 PolarHBondContact OD1-CD2 3.36Å; D211-H253 VanDerWaalsContact OD1-CD2 3.24Å; D211-H253 IonicContact OD1-NE2 3.62Å; D211-H253 PolarHBondContact OD1-NE2 3.31Å; D211-H253 IonicContact OD2-NE2 3.4Å
212	L	97.8	Very high	91.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-54.6	-40.3	163.1	-178	69.1	0	0	0	109.8	T185 T209 G210 Q235 N238 R239 I242	T185-L212 HydrophobicContact CG2-CD2 4.13Å; T209-L212 HydrophobicContact CG2-CD2 4.46Å; T209-L212 WeakPolarHBondContact O-CB 3.2Å; T209-L212 PolarHBondContact O-N 3.24Å; G210-L212 PolarHBondContact O-N 2.74Å; L212-Q235 HydrophobicContact CD1-CG 3.86Å; L212-Q235 PolarHBondContact O-NE2 3.26Å; L212-N238 HydrophobicContact CD1-CB 3.71Å; L212-N238 HydrophobicContact CD2-CB 4.5Å; L212-R239 HydrophobicContact CD1-CG 3.8Å; L212-R239 HydrophobicContact CG-CG 3.87Å; L212-R239 WeakPolarHBondContact O-CD 3.41Å; L212-R239 VanDerWaalsContact O-CG 3.31Å; L212-R239 WeakPolarHBondContact O-CG 3.23Å; L212-R239 PolarHBondContact O-NH1 2.77Å; L212-I242 HydrophobicContact CD2-CB 4.1Å; L212-I242 HydrophobicContact CD2-CG1 3.49Å; L212-I242 VanDerWaalsContact CD2-CG1 3.49Å
213	F	97.1	Very high	91.2	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-120.2	114.5	163.1	-61.5	-89.8	0	0	0	108.6	T209 G210 D211 D218 F219 R239 I242 L243 V249 P251 G252 F257	T209-F213 HydrophobicContact CG2-CD2 4.19Å; G210-F213 PolarHBondContact O-N 2.75Å; D211-F213 PolarHBondContact O-N 3.37Å; F213-D218 WeakPolarHBondContact CA-OD2 3.23Å; F213-F219 HydrophobicContact CD1-CE1 4.24Å; F213-F219 HydrophobicContact CD1-CE2 4.36Å; F213-F219 AromaticContact CD1-CZ 3.58Å; F213-F219 HydrophobicContact CD1-CZ 3.58Å; F213-F219 AromaticContact CE1-CE1 3.89Å; F213-F219 HydrophobicContact CE1-CE1 3.89Å; F213-F219 AromaticContact CE1-CZ 3.55Å; F213-F219 HydrophobicContact CE1-CZ 3.55Å; F213-R239 HydrophobicContact CD1-CG 4.39Å; F213-R239 HydrophobicContact CE1-CB 3.97Å; F213-R239 HydrophobicContact CE1-CG 3.85Å; F213-R239 VanDerWaalsContact CE1-CZ 3.48Å; F213-R239 HydrophobicContact CE2-CB 4.31Å; F213-R239 HydrophobicContact CE2-CG 4.11Å; F213-R239 HydrophobicContact CZ-CB 3.58Å; F213-R239 HydrophobicContact CZ-CG 3.68Å; F213-I242 HydrophobicContact CE2-CB 4.18Å; F213-I242 HydrophobicContact CE2-CG2 3.95Å; F213-L243 HydrophobicContact CE1-CD1 4.2Å; F213-L243 HydrophobicContact CE1-CD2 4.21Å; F213-L243 HydrophobicContact CE1-CG 4.21Å; F213-L243 HydrophobicContact CZ-CD1 4.1Å; F213-L243 HydrophobicContact CZ-CD2 3.99Å; F213-L243 HydrophobicContact CZ-CG 3.74Å; F213-V249 HydrophobicContact CB-CG1 4.34Å; F213-V249 HydrophobicContact CD2-CG1 3.74Å; F213-V249 HydrophobicContact CE2-CG1 4.31Å; F213-V249 HydrophobicContact CG-CG1 4.11Å; F213-P251 HydrophobicContact CB-CB 3.98Å; F213-P251 CarbonylContact O-C 3.27Å; F213-P251 WeakPolarHBondContact O-CA 3.38Å; F213-P251 WeakPolarHBondContact O-CB 3.43Å; F213-G252 PolarHBondContact O-N 3.47Å; F213-F257 HydrophobicContact CB-CE1 4.36Å; F213-F257 HydrophobicContact CB-CZ 4.37Å; F213-F257 AromaticContact CD1-CZ 3.85Å; F213-F257 HydrophobicContact CD1-CZ 3.85Å; F213-F257 HydrophobicContact CE1-CZ 4.34Å; F213-F257 HydrophobicContact CG-CZ 4.03Å
214	A	94.6	Very high	91.1	Very high	6 Å²	6	20.3 Å²	20.3	5%	0.05	14%	0.138	C	C	.	.			trans	-69.2	-39.1	178.9	0	0	0	0	0	111.6	D218 I224 H253	A214-D218 PolarHBondContact N-OD2 3.26Å; A214-I224 HydrophobicContact CB-CD1 4Å; A214-I224 HydrophobicContact CB-CG1 4.02Å; A214-H253 CarbonylContact O-C 3.51Å; A214-H253 VanDerWaalsContact O-C 3.27Å; A214-H253 WeakPolarHBondContact O-CA 3.46Å; A214-H253 WeakPolarHBondContact O-CB 3.33Å; A214-H253 PolarHBondContact O-N 3.2Å
215	S	93.1	Very high	91.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	13%	0.125	C	C	.	.			trans	-158.5	-176.7	177.4	66.4	0	0	0	0	111.9	N217 D218	S215-N217 PolarHBondContact O-N 2.98Å; S215-N217 PolarHBondContact OG-N 3.47Å; S215-N217 VanDerWaalsContact OG-N 3.13Å; S215-D218 WeakPolarHBondContact O-CB 3.02Å
216	E	89.4	Confident	91	Very high	17 Å²	17	22.7 Å²	22.7	8%	0.079	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.2	166.7	69.1	-84.4	-152	0	0	113.2	L39 A44 D218 G254 H255 F257	L39-E216 WeakPolarHBondContact CD1-O 3.2Å; A44-E216 HydrophobicContact CB-CB 4.15Å; A44-E216 HydrophobicContact CB-CG 4.09Å; E216-D218 VanDerWaalsContact C-N 3.32Å; E216-G254 VanDerWaalsContact OE2-CA 3.25Å; E216-G254 WeakPolarHBondContact OE2-CA 3.46Å; E216-H255 IonicContact OE1-CG 3.92Å; E216-H255 IonicContact OE1-ND1 3.36Å; E216-H255 PolarHBondContact OE1-ND1 3.01Å; E216-H255 PolarHBondContact OE2-N 3.08Å; E216-F257 HydrophobicContact CB-CD1 4.24Å
217	N	87.5	Confident	90.6	Very high	75 Å²	75	28 Å²	28	40%	0.401	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	12.5	-177.5	-60.2	-58.8	0	0	0	113.5	S215 F219	S215-N217 PolarHBondContact O-N 2.98Å; S215-N217 PolarHBondContact OG-N 3.47Å; S215-N217 VanDerWaalsContact OG-N 3.13Å; N217-F219 PolarHBondContact O-N 2.72Å
218	D	88.7	Confident	90.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.			trans	-82.6	26.4	-172.3	-121.3	10	0	0	0	113.9	F213 A214 S215 E216 I224 W225 R239	F213-D218 WeakPolarHBondContact CA-OD2 3.23Å; A214-D218 PolarHBondContact N-OD2 3.26Å; S215-D218 WeakPolarHBondContact O-CB 3.02Å; E216-D218 VanDerWaalsContact C-N 3.32Å; D218-I224 WeakPolarHBondContact OD1-CG1 3.26Å; D218-I224 PolarHBondContact OD1-N 3.24Å; D218-W225 PolarHBondContact OD1-N 3.36Å; D218-W225 WeakPolarHBondContact OD2-CB 3.18Å; D218-R239 PolarHBondContact O-NH2 3.35Å; D218-R239 IonicContact OD2-CZ 2.82Å; D218-R239 IonicContact OD2-NH1 3.75Å; D218-R239 PolarHBondContact OD2-NH1 3.05Å; D218-R239 IonicContact OD2-NH2 2.97Å
219	F	85.9	Confident	90.3	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.048	18%	0.18	C	C	.	.	S	Bend	trans	-140.3	157.6	-170.2	-55.5	-78.7	0	0	0	110.3	V37 F42 F213 N217 L243 F257	V37-F219 HydrophobicContact CB-CD1 4.3Å; V37-F219 WeakPolarHBondContact O-CB 3.31Å; F42-F219 AromaticContact CD1-CD2 3.9Å; F42-F219 HydrophobicContact CD1-CD2 3.9Å; F42-F219 AromaticContact CD1-CE2 3.55Å; F42-F219 HydrophobicContact CD1-CE2 3.55Å; F42-F219 AromaticContact CD1-CZ 3.97Å; F42-F219 HydrophobicContact CD1-CZ 3.97Å; F42-F219 HydrophobicContact CD2-CB 3.88Å; F42-F219 HydrophobicContact CD2-CD1 4.29Å; F42-F219 AromaticContact CD2-CD2 3.44Å; F42-F219 HydrophobicContact CD2-CD2 3.44Å; F42-F219 VanDerWaalsContact CD2-CD2 3.44Å; F42-F219 AromaticContact CD2-CE2 3.99Å; F42-F219 HydrophobicContact CD2-CE2 3.99Å; F42-F219 AromaticContact CD2-CG 3.62Å; F42-F219 HydrophobicContact CD2-CG 3.62Å; F42-F219 HydrophobicContact CE1-CD1 4.15Å; F42-F219 AromaticContact CE1-CD2 3.8Å; F42-F219 HydrophobicContact CE1-CD2 3.8Å; F42-F219 AromaticContact CE1-CE1 3.69Å; F42-F219 HydrophobicContact CE1-CE1 3.69Å; F42-F219 AromaticContact CE1-CE2 3.3Å; F42-F219 HydrophobicContact CE1-CE2 3.3Å; F42-F219 HydrophobicContact CE1-CG 4.2Å; F42-F219 AromaticContact CE1-CZ 3.22Å; F42-F219 HydrophobicContact CE1-CZ 3.22Å; F42-F219 HydrophobicContact CE2-CB 3.54Å; F42-F219 AromaticContact CE2-CD1 3.34Å; F42-F219 HydrophobicContact CE2-CD1 3.34Å; F42-F219 AromaticContact CE2-CD2 3.32Å; F42-F219 HydrophobicContact CE2-CD2 3.32Å; F42-F219 AromaticContact CE2-CE1 3.76Å; F42-F219 HydrophobicContact CE2-CE1 3.76Å; F42-F219 AromaticContact CE2-CE2 3.76Å; F42-F219 HydrophobicContact CE2-CE2 3.76Å; F42-F219 AromaticContact CE2-CG 3.08Å; F42-F219 HydrophobicContact CE2-CG 3.08Å; F42-F219 AromaticContact CE2-CZ 3.95Å; F42-F219 HydrophobicContact CE2-CZ 3.95Å; F42-F219 AromaticContact CG-CD2 3.74Å; F42-F219 HydrophobicContact CG-CD2 3.74Å; F42-F219 AromaticContact CG-CE2 3.89Å; F42-F219 HydrophobicContact CG-CE2 3.89Å; F42-F219 HydrophobicContact CG-CG 4.35Å; F42-F219 HydrophobicContact CZ-CB 4.36Å; F42-F219 AromaticContact CZ-CD1 3.26Å; F42-F219 HydrophobicContact CZ-CD1 3.26Å; F42-F219 AromaticContact CZ-CD2 3.54Å; F42-F219 HydrophobicContact CZ-CD2 3.54Å; F42-F219 AromaticContact CZ-CE1 3.14Å; F42-F219 HydrophobicContact CZ-CE1 3.14Å; F42-F219 AromaticContact CZ-CE2 3.44Å; F42-F219 HydrophobicContact CZ-CE2 3.44Å; F42-F219 VanDerWaalsContact CZ-CE2 3.44Å; F42-F219 AromaticContact CZ-CG 3.45Å; F42-F219 HydrophobicContact CZ-CG 3.45Å; F42-F219 VanDerWaalsContact CZ-CG 3.45Å; F42-F219 AromaticContact CZ-CZ 3.23Å; F42-F219 HydrophobicContact CZ-CZ 3.23Å; F213-F219 HydrophobicContact CD1-CE1 4.24Å; F213-F219 HydrophobicContact CD1-CE2 4.36Å; F213-F219 AromaticContact CD1-CZ 3.58Å; F213-F219 HydrophobicContact CD1-CZ 3.58Å; F213-F219 AromaticContact CE1-CE1 3.89Å; F213-F219 HydrophobicContact CE1-CE1 3.89Å; F213-F219 AromaticContact CE1-CZ 3.55Å; F213-F219 HydrophobicContact CE1-CZ 3.55Å; N217-F219 PolarHBondContact O-N 2.72Å; F219-L243 HydrophobicContact CE1-CD1 4.45Å; F219-F257 HydrophobicContact CE2-CE1 4.28Å; F219-F257 HydrophobicContact CE2-CE2 4.13Å; F219-F257 AromaticContact CE2-CZ 3.87Å; F219-F257 HydrophobicContact CE2-CZ 3.87Å; F219-F257 HydrophobicContact CZ-CE2 4.06Å; F219-F257 AromaticContact CZ-CZ 3.85Å; F219-F257 HydrophobicContact CZ-CZ 3.85Å
220	G	80.4	Confident	90.3	Very high	9 Å²	9	35 Å²	35	9%	0.093	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	62.4	-155.5	-174.1	0	0	0	0	0	113.4	Q36 V37 G222 E223	Q36-G220 PolarHBondContact NE2-O 3.31Å; Q36-G220 VanDerWaalsContact OE1-C 3.28Å; Q36-G220 PolarHBondContact OE1-O 2.88Å; V37-G220 PolarHBondContact O-N 2.92Å; G220-G222 PolarHBondContact O-N 2.98Å; G220-E223 PolarHBondContact O-N 3.48Å
221	S	75	Confident	90.2	Very high	130 Å²	130	39 Å²	39	91%	0.909	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-68.1	-14.1	-176	55.5	0	0	0	0	114.6
222	G	73.8	Confident	90.1	Very high	47 Å²	47	41.5 Å²	41.5	49%	0.485	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-94.5	4	-179.7	0	0	0	0	0	114.4	G220 I224	G220-G222 PolarHBondContact O-N 2.98Å; G222-I224 WeakPolarHBondContact O-CG2 3.13Å
223	E	84.9	Confident	89.9	Confident	41 Å²	41	51.9 Å²	51.9	19%	0.192	28%	0.278	C	S	.	.			trans	-60.4	140.3	-174.8	73.3	-179.3	175.1	0	0	112.7	Q36 G220 W225 Q226	Q36-E223 VanDerWaalsContact NE2-CD 3.28Å; Q36-E223 PolarHBondContact NE2-OE1 3.19Å; G220-E223 PolarHBondContact O-N 3.48Å; E223-W225 PolarHBondContact OE2-NE1 3.3Å; E223-Q226 VanDerWaalsContact OE1-CD 3.29Å; E223-Q226 PolarHBondContact OE1-NE2 2.58Å; E223-Q226 VanDerWaalsContact OE1-NE2 3.12Å
224	I	87.6	Confident	89.8	Confident	24 Å²	24	57 Å²	57	12%	0.123	30%	0.302	C	S	.	.			trans	-116.9	-21.7	-175.5	65.7	169.6	0	0	0	112.4	I69 M71 A214 D218 G222 Q226 K227 F228	I69-I224 HydrophobicContact CD1-CD1 3.83Å; I69-I224 HydrophobicContact CG2-CD1 4.05Å; M71-I224 HydrophobicContact CE-CB 3.94Å; M71-I224 HydrophobicContact CE-CD1 4.34Å; M71-I224 HydrophobicContact CE-CG2 3.37Å; A214-I224 HydrophobicContact CB-CD1 4Å; A214-I224 HydrophobicContact CB-CG1 4.02Å; D218-I224 WeakPolarHBondContact OD1-CG1 3.26Å; D218-I224 PolarHBondContact OD1-N 3.24Å; G222-I224 WeakPolarHBondContact O-CG2 3.13Å; I224-Q226 VanDerWaalsContact C-N 3.3Å; I224-Q226 PolarHBondContact O-N 3.01Å; I224-K227 WeakPolarHBondContact O-CB 3.24Å; I224-K227 PolarHBondContact O-N 3.01Å; I224-K227 VanDerWaalsContact O-N 3.08Å; I224-F228 HydrophobicContact CB-CE2 4.35Å; I224-F228 HydrophobicContact CD1-CE2 4.46Å; I224-F228 WeakPolarHBondContact O-CD2 3.47Å
225	W	93.6	Very high	89.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-39.8	-175.2	68.8	-86.9	0	0	0	114.2	D218 E223 K227 F228 S229 P232 Q235 E236	D218-W225 PolarHBondContact OD1-N 3.36Å; D218-W225 WeakPolarHBondContact OD2-CB 3.18Å; E223-W225 PolarHBondContact OE2-NE1 3.3Å; W225-K227 PolarHBondContact O-N 3.32Å; W225-F228 PolarHBondContact O-N 2.96Å; W225-S229 WeakPolarHBondContact O-CB 3.42Å; W225-S229 PolarHBondContact O-N 3.11Å; W225-P232 HydrophobicContact CZ3-CB 4.29Å; W225-Q235 HydrophobicContact CE3-CB 4.15Å; W225-Q235 HydrophobicContact CE3-CG 3.99Å; W225-Q235 HydrophobicContact CZ3-CB 3.83Å; W225-Q235 HydrophobicContact CZ3-CG 4.18Å; W225-E236 HydrophobicContact CH2-CB 4.11Å; W225-E236 WeakPolarHBondContact CH2-OE2 3.21Å; W225-E236 WeakPolarHBondContact CZ2-OE2 3.38Å
226	Q	92.8	Very high	89.9	Confident	96 Å²	96	58.8 Å²	58.8	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-34.9	-178.5	-69.6	-173.7	-6.1	0	0	112.1	E223 I224 F228 S229	E223-Q226 VanDerWaalsContact OE1-CD 3.29Å; E223-Q226 PolarHBondContact OE1-NE2 2.58Å; E223-Q226 VanDerWaalsContact OE1-NE2 3.12Å; I224-Q226 VanDerWaalsContact C-N 3.3Å; I224-Q226 PolarHBondContact O-N 3.01Å; Q226-F228 VanDerWaalsContact C-N 3.29Å; Q226-F228 PolarHBondContact O-N 2.96Å; Q226-S229 PolarHBondContact O-N 2.86Å
227	K	89.9	Confident	90.1	Very high	111 Å²	111	63.1 Å²	63.1	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-32.9	179.4	-177.8	-174.8	169.8	-169.6	0	112.3	Y76 I224 W225	Y76-K227 PolarHBondContact OH-NZ 2.86Å; I224-K227 WeakPolarHBondContact O-CB 3.24Å; I224-K227 PolarHBondContact O-N 3.01Å; I224-K227 VanDerWaalsContact O-N 3.08Å; W225-K227 PolarHBondContact O-N 3.32Å
228	F	92.7	Very high	90.4	Very high	57 Å²	57	60.5 Å²	60.5	25%	0.25	31%	0.311	C	S	.	.	H	α-helix	trans	-97.9	-6.6	-177.1	-62.2	-70.4	0	0	0	113.1	M71 H188 I224 W225 Q226	M71-F228 HydrophobicContact SD-CE2 3.58Å; M71-F228 VanDerWaalsContact SD-CE2 3.58Å; M71-F228 HydrophobicContact SD-CZ 3.54Å; M71-F228 VanDerWaalsContact SD-CZ 3.54Å; H188-F228 PolarHBondContact ND1-O 3.13Å; I224-F228 HydrophobicContact CB-CE2 4.35Å; I224-F228 HydrophobicContact CD1-CE2 4.46Å; I224-F228 WeakPolarHBondContact O-CD2 3.47Å; W225-F228 PolarHBondContact O-N 2.96Å; Q226-F228 VanDerWaalsContact C-N 3.29Å; Q226-F228 PolarHBondContact O-N 2.96Å
229	S	96.8	Very high	90.7	Very high	18 Å²	18	60.7 Å²	60.7	13%	0.126	31%	0.312	C	S	.	.			trans	-73.4	127.3	-178.1	-168.3	0	0	0	0	113.2	G187 W225 Q226 F231 P232 Q235	G187-S229 PolarHBondContact O-OG 2.86Å; W225-S229 WeakPolarHBondContact O-CB 3.42Å; W225-S229 PolarHBondContact O-N 3.11Å; Q226-S229 PolarHBondContact O-N 2.86Å; S229-F231 VanDerWaalsContact OG-C 3.26Å; S229-F231 PolarHBondContact OG-N 2.95Å; S229-P232 VanDerWaalsContact OG-CA 3.24Å; S229-P232 WeakPolarHBondContact OG-CA 3.31Å; S229-P232 VanDerWaalsContact OG-N 3.1Å; S229-Q235 PolarHBondContact OG-OE1 2.97Å
230	S	97.9	Very high	91.2	Very high	76 Å²	76	62.2 Å²	62.2	53%	0.531	32%	0.317	S	S	.	.	S	Bend	trans	-77.9	-27	166.6	-57.5	0	0	0	0	112.4	G187 H188	G187-S230 PolarHBondContact O-N 3.04Å; H188-S230 WeakPolarHBondContact O-CB 3.35Å; H188-S230 PolarHBondContact O-N 3.23Å; H188-S230 PolarHBondContact O-OG 3.34Å
231	F	97.4	Very high	91.8	Very high	86 Å²	86	63.3 Å²	63.3	38%	0.377	32%	0.32	S	S	.	.	S	Bend	trans	-138.5	70.4	-174.4	-57.3	-83.7	0	0	0	111.9	G187 S229 R233 H234 Q235	G187-F231 CarbonylContact O-C 3.54Å; G187-F231 WeakPolarHBondContact O-CA 3.45Å; G187-F231 WeakPolarHBondContact O-CB 3.16Å; G187-F231 PolarHBondContact O-N 2.84Å; S229-F231 VanDerWaalsContact OG-C 3.26Å; S229-F231 PolarHBondContact OG-N 2.95Å; F231-R233 VanDerWaalsContact C-N 3.31Å; F231-R233 PolarHBondContact O-N 3.45Å; F231-R233 VanDerWaalsContact O-N 3.11Å; F231-H234 HydrophobicContact CB-CB 4Å; F231-H234 PolarHBondContact O-N 2.76Å; F231-Q235 PolarHBondContact O-N 3.43Å
232	P	95.2	Very high	92.8	Very high	61 Å²	61	57.1 Å²	57.1	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-54.5	-40.7	-169.8	-27.4	31.2	0	0	0	114.7	W225 S229 H234 Q235 E236	W225-P232 HydrophobicContact CZ3-CB 4.29Å; S229-P232 VanDerWaalsContact OG-CA 3.24Å; S229-P232 WeakPolarHBondContact OG-CA 3.31Å; S229-P232 VanDerWaalsContact OG-N 3.1Å; P232-H234 PolarHBondContact O-N 3.38Å; P232-Q235 PolarHBondContact O-N 2.86Å; P232-E236 WeakPolarHBondContact O-CB 3.35Å; P232-E236 PolarHBondContact O-N 3.24Å
233	R	93.9	Very high	93.8	Very high	218 Å²	218	55 Å²	55	82%	0.823	25%	0.254	S	S	*	.	H	α-helix	trans	-65.7	-37.1	178.7	-65.8	-171	-179.6	-158.7	1	113	F231 R237	F231-R233 VanDerWaalsContact C-N 3.31Å; F231-R233 PolarHBondContact O-N 3.45Å; F231-R233 VanDerWaalsContact O-N 3.11Å; R233-R237 PolarHBondContact O-N 2.94Å
234	H	94.2	Very high	94.2	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.495	25%	0.253	S	S	.	.	H	α-helix	trans	-72.5	-41.3	176.9	-67.9	-80.6	0	0	0	110.3	A186 F231 P232 R237 N238	A186-H234 CarbonylContact O-C 3.25Å; A186-H234 VanDerWaalsContact O-C 3.27Å; A186-H234 WeakPolarHBondContact O-CB 3.42Å; F231-H234 HydrophobicContact CB-CB 4Å; F231-H234 PolarHBondContact O-N 2.76Å; P232-H234 PolarHBondContact O-N 3.38Å; H234-R237 PolarHBondContact O-N 3.4Å; H234-N238 WeakPolarHBondContact O-CB 3.34Å; H234-N238 PolarHBondContact O-N 2.97Å; H234-N238 PolarHBondContact O-ND2 3.34Å
235	Q	96.2	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.1	-156.1	170.1	-13.6	0	0	111.4	G187 D211 L212 W225 S229 F231 P232 R237 N238 R239	G187-Q235 VanDerWaalsContact CA-CB 3.46Å; D211-Q235 PolarHBondContact O-NE2 3.02Å; L212-Q235 HydrophobicContact CD1-CG 3.86Å; L212-Q235 PolarHBondContact O-NE2 3.26Å; W225-Q235 HydrophobicContact CE3-CB 4.15Å; W225-Q235 HydrophobicContact CE3-CG 3.99Å; W225-Q235 HydrophobicContact CZ3-CB 3.83Å; W225-Q235 HydrophobicContact CZ3-CG 4.18Å; S229-Q235 PolarHBondContact OG-OE1 2.97Å; F231-Q235 PolarHBondContact O-N 3.43Å; P232-Q235 PolarHBondContact O-N 2.86Å; Q235-R237 PolarHBondContact O-N 3.05Å; Q235-N238 PolarHBondContact O-N 2.82Å; Q235-R239 HydrophobicContact CG-CG 4.38Å; Q235-R239 WeakPolarHBondContact O-CB 3.35Å; Q235-R239 WeakPolarHBondContact O-CG 3.03Å; Q235-R239 PolarHBondContact O-N 2.87Å
236	E	93.8	Very high	94.6	Very high	46 Å²	46	55.8 Å²	55.8	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-55	-48.8	176.1	-170.1	76.5	-114	0	0	111.9	F32 W225 P232 N238 R239 R240	F32-E236 HydrophobicContact CB-CG 3.63Å; F32-E236 HydrophobicContact CD1-CG 4.48Å; F32-E236 WeakPolarHBondContact CD1-OE1 3.35Å; F32-E236 HydrophobicContact CD2-CG 4.03Å; F32-E236 WeakPolarHBondContact CE1-OE1 3.3Å; F32-E236 HydrophobicContact CG-CG 3.84Å; F32-E236 WeakPolarHBondContact CG-OE1 3.21Å; W225-E236 HydrophobicContact CH2-CB 4.11Å; W225-E236 WeakPolarHBondContact CH2-OE2 3.21Å; W225-E236 WeakPolarHBondContact CZ2-OE2 3.38Å; P232-E236 WeakPolarHBondContact O-CB 3.35Å; P232-E236 PolarHBondContact O-N 3.24Å; E236-N238 VanDerWaalsContact C-N 3.33Å; E236-N238 PolarHBondContact O-N 2.82Å; E236-R239 PolarHBondContact O-N 2.66Å; E236-R240 PolarHBondContact O-N 2.04Å
237	R	93.4	Very high	94.7	Very high	108 Å²	108	53.8 Å²	53.8	41%	0.408	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-43.4	178.2	179.2	-179.6	179.8	158.3	-2.9	111.8	R233 H234 Q235 R240 M241	R233-R237 PolarHBondContact O-N 2.94Å; H234-R237 PolarHBondContact O-N 3.4Å; Q235-R237 PolarHBondContact O-N 3.05Å; R237-R240 WeakPolarHBondContact O-CB 3.05Å; R237-R240 PolarHBondContact O-N 2.96Å; R237-M241 PolarHBondContact O-N 2.75Å
238	N	94.5	Very high	95	Very high	20 Å²	20	48.5 Å²	48.5	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-75.6	-33.2	-178.6	-74.4	-35.6	0	0	0	112.4	T185 A186 L212 H234 Q235 E236 M241 I242	T185-N238 WeakPolarHBondContact CA-ND2 3.27Å; T185-N238 HydrophobicContact CG2-CB 4.28Å; T185-N238 PolarHBondContact O-ND2 2.79Å; A186-N238 PolarHBondContact N-ND2 3.45Å; A186-N238 PolarHBondContact O-ND2 3.38Å; L212-N238 HydrophobicContact CD1-CB 3.71Å; L212-N238 HydrophobicContact CD2-CB 4.5Å; H234-N238 WeakPolarHBondContact O-CB 3.34Å; H234-N238 PolarHBondContact O-N 2.97Å; H234-N238 PolarHBondContact O-ND2 3.34Å; Q235-N238 PolarHBondContact O-N 2.82Å; E236-N238 VanDerWaalsContact C-N 3.33Å; E236-N238 PolarHBondContact O-N 2.82Å; N238-M241 PolarHBondContact O-N 3.18Å; N238-I242 WeakPolarHBondContact O-CG1 3.43Å; N238-I242 PolarHBondContact O-N 3.15Å
239	R	95.8	Very high	95.2	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-49	169	-75.1	170.1	68.5	92.7	-4.6	110	L212 F213 D218 Q235 E236 M241 I242 L243	L212-R239 HydrophobicContact CD1-CG 3.8Å; L212-R239 HydrophobicContact CG-CG 3.87Å; L212-R239 WeakPolarHBondContact O-CD 3.41Å; L212-R239 VanDerWaalsContact O-CG 3.31Å; L212-R239 WeakPolarHBondContact O-CG 3.23Å; L212-R239 PolarHBondContact O-NH1 2.77Å; F213-R239 HydrophobicContact CD1-CG 4.39Å; F213-R239 HydrophobicContact CE1-CB 3.97Å; F213-R239 HydrophobicContact CE1-CG 3.85Å; F213-R239 VanDerWaalsContact CE1-CZ 3.48Å; F213-R239 HydrophobicContact CE2-CB 4.31Å; F213-R239 HydrophobicContact CE2-CG 4.11Å; F213-R239 HydrophobicContact CZ-CB 3.58Å; F213-R239 HydrophobicContact CZ-CG 3.68Å; D218-R239 PolarHBondContact O-NH2 3.35Å; D218-R239 IonicContact OD2-CZ 2.82Å; D218-R239 IonicContact OD2-NH1 3.75Å; D218-R239 PolarHBondContact OD2-NH1 3.05Å; D218-R239 IonicContact OD2-NH2 2.97Å; Q235-R239 HydrophobicContact CG-CG 4.38Å; Q235-R239 WeakPolarHBondContact O-CB 3.35Å; Q235-R239 WeakPolarHBondContact O-CG 3.03Å; Q235-R239 PolarHBondContact O-N 2.87Å; E236-R239 PolarHBondContact O-N 2.66Å; R239-M241 PolarHBondContact O-N 3.43Å; R239-I242 PolarHBondContact O-N 2.97Å; R239-L243 VanDerWaalsContact O-CG 3.3Å; R239-L243 WeakPolarHBondContact O-CG 3.2Å; R239-L243 PolarHBondContact O-N 3.08Å
240	R	94.4	Very high	95.2	Very high	42 Å²	42	44.9 Å²	44.9	16%	0.158	21%	0.213	C	C	.	.	H	α-helix	trans	-54.2	-52	173.5	-166.3	-176.5	165.9	122.9	-10.7	112.5	F32 E236 R237 I242 L243 C244 V267 G268	F32-R240 HydrophobicContact CD2-CB 3.59Å; F32-R240 HydrophobicContact CD2-CG 3.81Å; F32-R240 HydrophobicContact CE2-CB 3.46Å; F32-R240 VanDerWaalsContact CE2-CB 3.46Å; F32-R240 HydrophobicContact CE2-CG 3.74Å; E236-R240 PolarHBondContact O-N 2.04Å; R237-R240 WeakPolarHBondContact O-CB 3.05Å; R237-R240 PolarHBondContact O-N 2.96Å; R240-I242 VanDerWaalsContact C-N 3.32Å; R240-I242 PolarHBondContact O-N 2.81Å; R240-L243 PolarHBondContact O-N 3.21Å; R240-C244 PolarHBondContact O-N 3.34Å; R240-C244 PolarHBondContact O-SG 3.01Å; R240-V267 HydrophobicContact CG-CB 4.35Å; R240-V267 HydrophobicContact CG-CG2 4.4Å; R240-V267 PolarHBondContact NE-O 3.43Å; R240-V267 PolarHBondContact NH1-O 2.88Å; R240-V267 PolarHBondContact NH2-O 2.94Å; R240-G268 VanDerWaalsContact NH2-C 3.34Å; R240-G268 PolarHBondContact NH2-O 2.64Å
241	M	93.8	Very high	95.2	Very high	33 Å²	33	41.3 Å²	41.3	16%	0.163	19%	0.188	C	C	.	.	H	α-helix	trans	-57.1	-49.5	-177	178.2	-167.5	70.2	0	0	110.5	Y183 T185 R237 N238 R239 C244 I245	Y183-M241 HydrophobicContact CD1-CE 4.01Å; Y183-M241 HydrophobicContact CD1-SD 4.33Å; T185-M241 HydrophobicContact CG2-CE 3.63Å; R237-M241 PolarHBondContact O-N 2.75Å; N238-M241 PolarHBondContact O-N 3.18Å; R239-M241 PolarHBondContact O-N 3.43Å; M241-C244 PolarHBondContact O-N 3.42Å; M241-I245 WeakPolarHBondContact O-CG1 3.25Å; M241-I245 PolarHBondContact O-N 3.5Å
242	I	95.6	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-49.7	179.4	-70.3	-59.5	0	0	0	111	T185 V196 A207 T209 L212 F213 N238 R239 R240 C244 I245 S246 V249	T185-I242 HydrophobicContact CG2-CD1 4.13Å; T185-I242 HydrophobicContact CG2-CG1 4.09Å; V196-I242 HydrophobicContact CG2-CD1 4.08Å; A207-I242 HydrophobicContact CB-CG2 3.61Å; T209-I242 HydrophobicContact CG2-CG2 3.87Å; L212-I242 HydrophobicContact CD2-CB 4.1Å; L212-I242 HydrophobicContact CD2-CG1 3.49Å; L212-I242 VanDerWaalsContact CD2-CG1 3.49Å; F213-I242 HydrophobicContact CE2-CB 4.18Å; F213-I242 HydrophobicContact CE2-CG2 3.95Å; N238-I242 WeakPolarHBondContact O-CG1 3.43Å; N238-I242 PolarHBondContact O-N 3.15Å; R239-I242 PolarHBondContact O-N 2.97Å; R240-I242 VanDerWaalsContact C-N 3.32Å; R240-I242 PolarHBondContact O-N 2.81Å; I242-C244 PolarHBondContact O-N 3.17Å; I242-C244 VanDerWaalsContact O-N 3.17Å; I242-I245 HydrophobicContact CD1-CD1 4.2Å; I242-I245 WeakPolarHBondContact O-CG1 3.35Å; I242-I245 PolarHBondContact O-N 3.06Å; I242-S246 WeakPolarHBondContact O-CB 3.35Å; I242-S246 PolarHBondContact O-N 2.76Å; I242-S246 PolarHBondContact O-OG 3.44Å; I242-V249 HydrophobicContact CG2-CG2 4.09Å
243	L	95.4	Very high	95.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-55.8	-36.6	176.9	-68.2	170.4	0	0	0	112.1	F42 F213 F219 R239 R240 I245 V249 F257 V259 I263 V267	F42-L243 HydrophobicContact CE1-CD2 4.43Å; F213-L243 HydrophobicContact CE1-CD1 4.2Å; F213-L243 HydrophobicContact CE1-CD2 4.21Å; F213-L243 HydrophobicContact CE1-CG 4.21Å; F213-L243 HydrophobicContact CZ-CD1 4.1Å; F213-L243 HydrophobicContact CZ-CD2 3.99Å; F213-L243 HydrophobicContact CZ-CG 3.74Å; F219-L243 HydrophobicContact CE1-CD1 4.45Å; R239-L243 VanDerWaalsContact O-CG 3.3Å; R239-L243 WeakPolarHBondContact O-CG 3.2Å; R239-L243 PolarHBondContact O-N 3.08Å; R240-L243 PolarHBondContact O-N 3.21Å; L243-I245 VanDerWaalsContact C-N 3.32Å; L243-I245 PolarHBondContact O-N 3.38Å; L243-V249 HydrophobicContact CD2-CG2 4.44Å; L243-F257 HydrophobicContact CD2-CE2 4.12Å; L243-V259 HydrophobicContact CB-CG1 4.31Å; L243-V259 HydrophobicContact CD2-CG1 4.06Å; L243-V259 HydrophobicContact CD2-CG2 3.76Å; L243-V259 WeakPolarHBondContact O-CG1 3.36Å; L243-I263 HydrophobicContact CD1-CG2 4.21Å; L243-I263 HydrophobicContact CD2-CG2 4.19Å; L243-V267 HydrophobicContact CB-CG2 4.22Å; L243-V267 HydrophobicContact CD1-CG1 3.92Å
244	C	94.4	Very high	95.3	Very high	26 Å²	26	24.2 Å²	24.2	18%	0.176	11%	0.114	C	C	.	.	H	α-helix	trans	-74	-17.4	179.1	-65.8	0	0	0	0	115.1	R240 M241 I242 R264 C269	R240-C244 PolarHBondContact O-N 3.34Å; R240-C244 PolarHBondContact O-SG 3.01Å; M241-C244 PolarHBondContact O-N 3.42Å; I242-C244 PolarHBondContact O-N 3.17Å; I242-C244 VanDerWaalsContact O-N 3.17Å; C244-R264 PolarHBondContact O-NH1 3.3Å; C244-C269 WeakPolarHBondContact CA-SG 3.5Å; C244-C269 HydrophobicContact CB-CB 3.79Å; C244-C269 WeakPolarHBondContact CB-SG 3.47Å; C244-C269 WeakPolarHBondContact SG-CA 3.25Å; C244-C269 WeakPolarHBondContact SG-CB 3.37Å; C244-C269 CovalentContact SG-SG 2.04Å; C244-C269 PolarHBondContact SG-SG 3.13Å
245	I	94	Very high	95.2	Very high	60 Å²	60	21.7 Å²	21.7	31%	0.308	10%	0.103	S	C	.	.	H	α-helix	trans	-112.9	-13.1	-177.9	69.6	174.8	0	0	0	113.7	Y183 V196 T205 M241 I242 L243	Y183-I245 HydrophobicContact CD1-CD1 4.43Å; Y183-I245 HydrophobicContact CE1-CD1 3.95Å; V196-I245 HydrophobicContact CG2-CD1 4.11Å; T205-I245 VanDerWaalsContact CG2-O 3.26Å; T205-I245 WeakPolarHBondContact CG2-O 3.05Å; M241-I245 WeakPolarHBondContact O-CG1 3.25Å; M241-I245 PolarHBondContact O-N 3.5Å; I242-I245 HydrophobicContact CD1-CD1 4.2Å; I242-I245 WeakPolarHBondContact O-CG1 3.35Å; I242-I245 PolarHBondContact O-N 3.06Å; L243-I245 VanDerWaalsContact C-N 3.32Å; L243-I245 PolarHBondContact O-N 3.38Å
246	S	95.2	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.			trans	-110.5	147.3	-178	65.8	0	0	0	0	112.7	I242 V249 V259 R264	I242-S246 WeakPolarHBondContact O-CB 3.35Å; I242-S246 PolarHBondContact O-N 2.76Å; I242-S246 PolarHBondContact O-OG 3.44Å; S246-V249 WeakPolarHBondContact OG-CG2 3.45Å; S246-V259 WeakPolarHBondContact O-CB 3.17Å; S246-R264 PolarHBondContact O-NH2 3.21Å
247	D	95	Very high	95.1	Very high	54 Å²	54	19.6 Å²	19.6	29%	0.289	9%	0.093	S	C	.	.	S	Bend	trans	-95.2	-24.7	171.4	-57	-51.9	0	0	0	111.7	Y203 T205 R258 V259 R264	Y203-D247 WeakPolarHBondContact O-CB 3.39Å; T205-D247 PolarHBondContact N-OD2 2.91Å; T205-D247 PolarHBondContact O-N 3.01Å; D247-R258 WeakPolarHBondContact O-CA 3.48Å; D247-V259 PolarHBondContact O-N 2.82Å; D247-R264 IonicContact OD1-CZ 3.17Å; D247-R264 IonicContact OD1-NH2 3.24Å; D247-R264 PolarHBondContact OD1-NH2 3.22Å
248	V	95.8	Very high	95.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.8	175.1	178.9	0	0	0	0	110.2	I45 Y203 T205 V206 A207 F250 P256 F257 R258	I45-V248 HydrophobicContact CD1-CG1 3.82Å; I45-V248 HydrophobicContact CD1-CG2 4.19Å; Y203-V248 HydrophobicContact CD1-CG2 3.63Å; Y203-V248 HydrophobicContact CE1-CG2 4.39Å; Y203-V248 HydrophobicContact CG-CG2 4.06Å; T205-V248 PolarHBondContact O-N 2.91Å; T205-V248 VanDerWaalsContact O-N 3.13Å; V206-V248 CarbonylContact C-O 3.52Å; V206-V248 WeakPolarHBondContact CA-O 3.12Å; V206-V248 HydrophobicContact CG2-CB 4.28Å; A207-V248 PolarHBondContact N-O 2.89Å; V248-F250 HydrophobicContact CG1-CD2 4.09Å; V248-F250 HydrophobicContact CG1-CE2 3.85Å; V248-P256 HydrophobicContact CG1-CB 4.2Å; V248-F257 WeakPolarHBondContact CA-O 3.48Å; V248-R258 HydrophobicContact CG2-CG 4.29Å
249	V	96.9	Very high	95	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.3	174.6	175.2	0	0	0	0	109.7	A207 T209 F213 I242 L243 S246 P256 F257 V259	A207-V249 CarbonylContact O-C 3.53Å; A207-V249 WeakPolarHBondContact O-CA 3.32Å; T209-V249 HydrophobicContact CG2-CG1 3.85Å; F213-V249 HydrophobicContact CB-CG1 4.34Å; F213-V249 HydrophobicContact CD2-CG1 3.74Å; F213-V249 HydrophobicContact CE2-CG1 4.31Å; F213-V249 HydrophobicContact CG-CG1 4.11Å; I242-V249 HydrophobicContact CG2-CG2 4.09Å; L243-V249 HydrophobicContact CD2-CG2 4.44Å; S246-V249 WeakPolarHBondContact OG-CG2 3.45Å; V249-P256 CarbonylContact O-C 3.14Å; V249-P256 WeakPolarHBondContact O-CA 3.37Å; V249-F257 HydrophobicContact CB-CD1 4.37Å; V249-F257 HydrophobicContact CB-CD2 4.12Å; V249-F257 HydrophobicContact CB-CE1 3.85Å; V249-F257 HydrophobicContact CB-CE2 3.58Å; V249-F257 HydrophobicContact CB-CZ 3.43Å; V249-F257 VanDerWaalsContact CB-CZ 3.43Å; V249-F257 HydrophobicContact CG1-CE1 3.73Å; V249-F257 HydrophobicContact CG1-CE2 4.16Å; V249-F257 HydrophobicContact CG1-CZ 3.48Å; V249-F257 VanDerWaalsContact CG1-CZ 3.48Å; V249-F257 HydrophobicContact CG2-CE2 3.84Å; V249-F257 HydrophobicContact CG2-CZ 3.99Å; V249-F257 PolarHBondContact N-O 2.79Å; V249-F257 PolarHBondContact O-N 3Å; V249-V259 HydrophobicContact CG2-CG2 3.91Å
250	F	97.4	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	109.1	166.8	-79.8	-115.8	0	0	0	108	L49 I61 P63 T81 V83 V206 A207 I208 T209 V248 P256	L49-F250 HydrophobicContact CD2-CZ 4.49Å; I61-F250 HydrophobicContact CG2-CE1 4.21Å; I61-F250 HydrophobicContact CG2-CE2 4.04Å; I61-F250 HydrophobicContact CG2-CZ 3.81Å; P63-F250 HydrophobicContact CB-CE1 4.08Å; P63-F250 HydrophobicContact CG-CE1 4.13Å; T81-F250 HydrophobicContact CG2-CD1 4.34Å; V83-F250 HydrophobicContact CG2-CD1 3.96Å; V206-F250 HydrophobicContact CG1-CD2 3.59Å; V206-F250 HydrophobicContact CG1-CE2 3.72Å; A207-F250 PolarHBondContact O-N 3.17Å; I208-F250 HydrophobicContact CB-CB 4.33Å; I208-F250 HydrophobicContact CG1-CB 4.09Å; I208-F250 HydrophobicContact CG1-CG 4.38Å; I208-F250 HydrophobicContact CG2-CB 4.2Å; T209-F250 PolarHBondContact N-O 3.12Å; T209-F250 PolarHBondContact OG1-O 3.37Å; V248-F250 HydrophobicContact CG1-CD2 4.09Å; V248-F250 HydrophobicContact CG1-CE2 3.85Å; F250-P256 HydrophobicContact CD1-CB 4.18Å; F250-P256 HydrophobicContact CD1-CG 3.55Å; F250-P256 HydrophobicContact CD2-CB 3.84Å; F250-P256 HydrophobicContact CD2-CG 4.12Å; F250-P256 HydrophobicContact CE1-CB 4.1Å; F250-P256 HydrophobicContact CE1-CG 3.33Å; F250-P256 HydrophobicContact CE2-CB 3.74Å; F250-P256 HydrophobicContact CE2-CG 3.93Å; F250-P256 HydrophobicContact CG-CB 4.05Å; F250-P256 HydrophobicContact CG-CG 3.93Å; F250-P256 HydrophobicContact CZ-CB 3.87Å; F250-P256 HydrophobicContact CZ-CG 3.53Å
251	P	97.3	Very high	94.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.119	C	C	.	.			trans	-80.4	168.8	179.2	33.5	-35.1	0	0	0	112.4	T81 F213 H255 F257	T81-P251 VanDerWaalsContact CB-O 3.23Å; T81-P251 WeakPolarHBondContact CB-O 3.35Å; T81-P251 PolarHBondContact OG1-O 3.32Å; F213-P251 HydrophobicContact CB-CB 3.98Å; F213-P251 CarbonylContact O-C 3.27Å; F213-P251 WeakPolarHBondContact O-CA 3.38Å; F213-P251 WeakPolarHBondContact O-CB 3.43Å; P251-H255 VanDerWaalsContact CD-O 3.31Å; P251-H255 WeakPolarHBondContact CD-O 3.17Å; P251-H255 VanDerWaalsContact CG-O 3.26Å; P251-H255 WeakPolarHBondContact CG-O 3.4Å; P251-F257 HydrophobicContact CB-CE1 4.4Å; P251-F257 HydrophobicContact CG-CD1 4.49Å; P251-F257 HydrophobicContact CG-CE1 4.37Å
252	G	97.7	Very high	94.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	-65.6	-37.2	-179.2	0	0	0	0	0	114.3	S80 T81 G210 F213	S80-G252 CarbonylContact C-O 3.27Å; S80-G252 VanDerWaalsContact CA-O 3.23Å; S80-G252 WeakPolarHBondContact CA-O 3.2Å; T81-G252 PolarHBondContact N-O 3.33Å; T81-G252 PolarHBondContact OG1-O 3.05Å; G210-G252 PolarHBondContact O-N 2.91Å; F213-G252 PolarHBondContact O-N 3.47Å
253	H	96.4	Very high	94	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	13%	0.13	C	C	.	.	S	Bend	trans	-140.6	39.6	-171.9	-55.7	-68.2	0	0	0	113.7	G67 N68 I69 M78 L79 D133 H134 D211 A214	G67-H253 VanDerWaalsContact C-C 3.44Å; N68-H253 CarbonylContact C-O 3.57Å; N68-H253 VanDerWaalsContact C-O 3.25Å; N68-H253 WeakPolarHBondContact CA-O 3.43Å; N68-H253 PolarHBondContact N-O 2.75Å; I69-H253 HydrophobicContact CB-CB 3.73Å; I69-H253 HydrophobicContact CG2-CB 4.14Å; I69-H253 PolarHBondContact N-O 3.32Å; I69-H253 VanDerWaalsContact N-O 3.15Å; M78-H253 WeakPolarHBondContact CE-NE2 3.37Å; L79-H253 PolarHBondContact O-ND1 3.37Å; D133-H253 IonicContact OD2-CE1 2.91Å; D133-H253 PolarHBondContact OD2-CE1 3.09Å; D133-H253 IonicContact OD2-NE2 3.98Å; H134-H253 AromaticContact NE2-CE1 3.39Å; H134-H253 PolarHBondContact NE2-CE1 3.41Å; H134-H253 AromaticContact NE2-NE2 3.4Å; H134-H253 PolarHBondContact NE2-NE2 2.53Å; D211-H253 IonicContact OD1-CD2 3.09Å; D211-H253 PolarHBondContact OD1-CD2 3.36Å; D211-H253 VanDerWaalsContact OD1-CD2 3.24Å; D211-H253 IonicContact OD1-NE2 3.62Å; D211-H253 PolarHBondContact OD1-NE2 3.31Å; D211-H253 IonicContact OD2-NE2 3.4Å; A214-H253 CarbonylContact O-C 3.51Å; A214-H253 VanDerWaalsContact O-C 3.27Å; A214-H253 WeakPolarHBondContact O-CA 3.46Å; A214-H253 WeakPolarHBondContact O-CB 3.33Å; A214-H253 PolarHBondContact O-N 3.2Å
254	G	93.2	Very high	93.8	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	-162.2	-170.4	-179.8	0	0	0	0	0	114.1	G67 E216	G67-G254 WeakPolarHBondContact O-CA 3.26Å; G67-G254 PolarHBondContact O-N 2.82Å; E216-G254 VanDerWaalsContact OE2-CA 3.25Å; E216-G254 WeakPolarHBondContact OE2-CA 3.46Å
255	H	92.8	Very high	93.7	Very high	54 Å²	54	33.6 Å²	33.6	25%	0.25	17%	0.167	C	C	.	.			trans	-76.9	148.1	178.4	-65.3	88.7	0	0	0	111.3	A44 Y46 E216 P251	A44-H255 HydrophobicContact CB-CB 4.33Å; Y46-H255 AromaticContact CD1-CD2 3.74Å; Y46-H255 AromaticContact CD1-CE1 3.99Å; Y46-H255 AromaticContact CD1-CG 3.91Å; Y46-H255 AromaticContact CD1-NE2 3.79Å; Y46-H255 HydrophobicContact CE1-CB 4.38Å; Y46-H255 AromaticContact CE1-CD2 3.98Å; Y46-H255 AromaticContact CE1-CE1 3.68Å; Y46-H255 AromaticContact CE1-CG 3.7Å; Y46-H255 AromaticContact CE1-ND1 3.5Å; Y46-H255 WeakPolarHBondContact CE1-ND1 3.45Å; Y46-H255 AromaticContact CE1-NE2 3.96Å; E216-H255 IonicContact OE1-CG 3.92Å; E216-H255 IonicContact OE1-ND1 3.36Å; E216-H255 PolarHBondContact OE1-ND1 3.01Å; E216-H255 PolarHBondContact OE2-N 3.08Å; P251-H255 VanDerWaalsContact CD-O 3.31Å; P251-H255 WeakPolarHBondContact CD-O 3.17Å; P251-H255 VanDerWaalsContact CG-O 3.26Å; P251-H255 WeakPolarHBondContact CG-O 3.4Å
256	P	94.2	Very high	93.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.165	C	C	.	.			trans	-60.9	147.8	170.1	-18.1	31.4	0	0	0	110.7	A44 I45 L66 V248 V249 F250	A44-P256 CarbonylContact C-O 3.47Å; A44-P256 WeakPolarHBondContact CA-O 3.44Å; I45-P256 HydrophobicContact CB-CB 4.39Å; I45-P256 WeakPolarHBondContact CB-O 3.43Å; I45-P256 HydrophobicContact CD1-CB 4.33Å; I45-P256 PolarHBondContact N-O 3.46Å; L66-P256 HydrophobicContact CD2-CG 4.19Å; V248-P256 HydrophobicContact CG1-CB 4.2Å; V249-P256 CarbonylContact O-C 3.14Å; V249-P256 WeakPolarHBondContact O-CA 3.37Å; F250-P256 HydrophobicContact CD1-CB 4.18Å; F250-P256 HydrophobicContact CD1-CG 3.55Å; F250-P256 HydrophobicContact CD2-CB 3.84Å; F250-P256 HydrophobicContact CD2-CG 4.12Å; F250-P256 HydrophobicContact CE1-CB 4.1Å; F250-P256 HydrophobicContact CE1-CG 3.33Å; F250-P256 HydrophobicContact CE2-CB 3.74Å; F250-P256 HydrophobicContact CE2-CG 3.93Å; F250-P256 HydrophobicContact CG-CB 4.05Å; F250-P256 HydrophobicContact CG-CG 3.93Å; F250-P256 HydrophobicContact CZ-CB 3.87Å; F250-P256 HydrophobicContact CZ-CG 3.53Å
257	F	93.3	Very high	93.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.8	178.6	58.4	-95.4	0	0	0	112.1	F42 T43 F213 E216 F219 L243 V248 V249 P251 V259	F42-F257 AromaticContact CD1-CD2 3.47Å; F42-F257 HydrophobicContact CD1-CD2 3.47Å; F42-F257 VanDerWaalsContact CD1-CD2 3.47Å; F42-F257 AromaticContact CD1-CE2 3.75Å; F42-F257 HydrophobicContact CD1-CE2 3.75Å; F42-F257 HydrophobicContact CD1-CG 4.14Å; F42-F257 AromaticContact CE1-CD2 3.91Å; F42-F257 HydrophobicContact CE1-CD2 3.91Å; F42-F257 AromaticContact CE1-CE2 3.71Å; F42-F257 HydrophobicContact CE1-CE2 3.71Å; T43-F257 WeakPolarHBondContact O-CA 2.81Å; F213-F257 HydrophobicContact CB-CE1 4.36Å; F213-F257 HydrophobicContact CB-CZ 4.37Å; F213-F257 AromaticContact CD1-CZ 3.85Å; F213-F257 HydrophobicContact CD1-CZ 3.85Å; F213-F257 HydrophobicContact CE1-CZ 4.34Å; F213-F257 HydrophobicContact CG-CZ 4.03Å; E216-F257 HydrophobicContact CB-CD1 4.24Å; F219-F257 HydrophobicContact CE2-CE1 4.28Å; F219-F257 HydrophobicContact CE2-CE2 4.13Å; F219-F257 AromaticContact CE2-CZ 3.87Å; F219-F257 HydrophobicContact CE2-CZ 3.87Å; F219-F257 HydrophobicContact CZ-CE2 4.06Å; F219-F257 AromaticContact CZ-CZ 3.85Å; F219-F257 HydrophobicContact CZ-CZ 3.85Å; L243-F257 HydrophobicContact CD2-CE2 4.12Å; V248-F257 WeakPolarHBondContact CA-O 3.48Å; V249-F257 HydrophobicContact CB-CD1 4.37Å; V249-F257 HydrophobicContact CB-CD2 4.12Å; V249-F257 HydrophobicContact CB-CE1 3.85Å; V249-F257 HydrophobicContact CB-CE2 3.58Å; V249-F257 HydrophobicContact CB-CZ 3.43Å; V249-F257 VanDerWaalsContact CB-CZ 3.43Å; V249-F257 HydrophobicContact CG1-CE1 3.73Å; V249-F257 HydrophobicContact CG1-CE2 4.16Å; V249-F257 HydrophobicContact CG1-CZ 3.48Å; V249-F257 VanDerWaalsContact CG1-CZ 3.48Å; V249-F257 HydrophobicContact CG2-CE2 3.84Å; V249-F257 HydrophobicContact CG2-CZ 3.99Å; V249-F257 PolarHBondContact N-O 2.79Å; V249-F257 PolarHBondContact O-N 3Å; P251-F257 HydrophobicContact CB-CE1 4.4Å; P251-F257 HydrophobicContact CG-CD1 4.49Å; P251-F257 HydrophobicContact CG-CE1 4.37Å; F257-V259 HydrophobicContact CE2-CG2 4.45Å
258	R	93.2	Very high	92.9	Very high	108 Å²	108	32.2 Å²	32.2	41%	0.408	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	142.8	173.7	-71.3	-170	170.7	-86.1	-0.5	111	T43 I45 G202 D247 V248	T43-R258 PolarHBondContact O-N 3.27Å; I45-R258 HydrophobicContact CD1-CG 3.96Å; I45-R258 HydrophobicContact CG1-CG 4.31Å; G202-R258 PolarHBondContact O-NH2 3.09Å; G202-R258 VanDerWaalsContact O-NH2 3.13Å; D247-R258 WeakPolarHBondContact O-CA 3.48Å; V248-R258 HydrophobicContact CG2-CG 4.29Å
259	V	93.2	Very high	92.7	Very high	10 Å²	10	33.2 Å²	33.2	6%	0.061	18%	0.175	C	C	.	.			trans	-98.2	103.9	170.9	-171	0	0	0	0	108.7	L243 S246 D247 V249 F257 I263 R264	L243-V259 HydrophobicContact CB-CG1 4.31Å; L243-V259 HydrophobicContact CD2-CG1 4.06Å; L243-V259 HydrophobicContact CD2-CG2 3.76Å; L243-V259 WeakPolarHBondContact O-CG1 3.36Å; S246-V259 WeakPolarHBondContact O-CB 3.17Å; D247-V259 PolarHBondContact O-N 2.82Å; V249-V259 HydrophobicContact CG2-CG2 3.91Å; F257-V259 HydrophobicContact CE2-CG2 4.45Å; V259-I263 HydrophobicContact CG1-CB 4.06Å; V259-I263 HydrophobicContact CG1-CG2 3.78Å; V259-R264 HydrophobicContact CG1-CG 4Å
260	S	90.7	Very high	92.1	Very high	29 Å²	29	38.7 Å²	38.7	20%	0.203	21%	0.21	C	C	.	.			trans	-77.9	168.2	-178	83.4	0	0	0	0	112.6	E262 I263 R264	S260-E262 WeakPolarHBondContact CB-OE2 3.49Å; S260-E262 PolarHBondContact O-N 2.9Å; S260-E262 PolarHBondContact OG-N 2.89Å; S260-E262 PolarHBondContact OG-OE2 3.18Å; S260-I263 PolarHBondContact O-N 2.76Å; S260-I263 PolarHBondContact OG-N 3.3Å; S260-R264 WeakPolarHBondContact O-CG 3.39Å; S260-R264 PolarHBondContact O-N 3.41Å
261	S	90.2	Very high	90.9	Very high	81 Å²	81	50.4 Å²	50.4	57%	0.566	25%	0.254	S	S	*	.	H	α-helix	trans	-56.1	-38	170.4	29.3	0	0	0	0	112.2	R264 Q265	S261-R264 PolarHBondContact O-N 2.79Å; S261-Q265 WeakPolarHBondContact O-CB 3.39Å; S261-Q265 PolarHBondContact O-N 3.38Å
262	E	88.5	Confident	89.2	Confident	84 Å²	84	59.4 Å²	59.4	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-43.2	-179.2	-57.8	66.5	-133.7	0	0	110.2	S260 R264 Q265 L266	S260-E262 WeakPolarHBondContact CB-OE2 3.49Å; S260-E262 PolarHBondContact O-N 2.9Å; S260-E262 PolarHBondContact OG-N 2.89Å; S260-E262 PolarHBondContact OG-OE2 3.18Å; E262-R264 VanDerWaalsContact C-N 3.34Å; E262-R264 PolarHBondContact O-N 2.93Å; E262-Q265 PolarHBondContact O-N 2.9Å; E262-L266 WeakPolarHBondContact O-CB 3.49Å; E262-L266 WeakPolarHBondContact O-CG 3.07Å; E262-L266 PolarHBondContact O-N 3.32Å
263	I	89.4	Confident	88.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-48	173.1	-66.2	163.7	0	0	0	109.9	V37 H41 F42 L243 V259 S260 Q265 L266 V267	V37-I263 HydrophobicContact CG1-CG1 4.08Å; H41-I263 HydrophobicContact CB-CG1 4.08Å; H41-I263 VanDerWaalsContact O-CD1 3.26Å; H41-I263 WeakPolarHBondContact O-CD1 3.44Å; F42-I263 HydrophobicContact CD1-CD1 3.42Å; F42-I263 VanDerWaalsContact CD1-CD1 3.42Å; F42-I263 HydrophobicContact CD1-CG1 4.47Å; F42-I263 HydrophobicContact CD2-CD1 4.3Å; F42-I263 HydrophobicContact CE1-CD1 3.28Å; F42-I263 HydrophobicContact CE1-CG1 4Å; F42-I263 HydrophobicContact CE1-CG2 4.16Å; F42-I263 HydrophobicContact CE2-CD1 4.18Å; F42-I263 HydrophobicContact CE2-CG1 4.29Å; F42-I263 HydrophobicContact CG-CD1 3.95Å; F42-I263 HydrophobicContact CZ-CD1 3.67Å; F42-I263 HydrophobicContact CZ-CG1 3.88Å; F42-I263 HydrophobicContact CZ-CG2 4.01Å; L243-I263 HydrophobicContact CD1-CG2 4.21Å; L243-I263 HydrophobicContact CD2-CG2 4.19Å; V259-I263 HydrophobicContact CG1-CB 4.06Å; V259-I263 HydrophobicContact CG1-CG2 3.78Å; S260-I263 PolarHBondContact O-N 2.76Å; S260-I263 PolarHBondContact OG-N 3.3Å; I263-Q265 VanDerWaalsContact C-N 3.27Å; I263-Q265 PolarHBondContact O-N 3.38Å; I263-L266 PolarHBondContact O-N 3.03Å; I263-V267 HydrophobicContact CG2-CG1 4.34Å; I263-V267 WeakPolarHBondContact O-CG1 3.34Å; I263-V267 WeakPolarHBondContact O-CG2 3.39Å; I263-V267 PolarHBondContact O-N 3.31Å
264	R	91.8	Very high	88.4	Confident	60 Å²	60	65.5 Å²	65.5	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-39	178.7	-70.8	170.1	177	-91.2	9.7	111.9	C244 S246 D247 V259 S260 S261 E262 G268 C269	C244-R264 PolarHBondContact O-NH1 3.3Å; S246-R264 PolarHBondContact O-NH2 3.21Å; D247-R264 IonicContact OD1-CZ 3.17Å; D247-R264 IonicContact OD1-NH2 3.24Å; D247-R264 PolarHBondContact OD1-NH2 3.22Å; V259-R264 HydrophobicContact CG1-CG 4Å; S260-R264 WeakPolarHBondContact O-CG 3.39Å; S260-R264 PolarHBondContact O-N 3.41Å; S261-R264 PolarHBondContact O-N 2.79Å; E262-R264 VanDerWaalsContact C-N 3.34Å; E262-R264 PolarHBondContact O-N 2.93Å; R264-G268 PolarHBondContact O-N 3.2Å; R264-C269 HydrophobicContact CB-CB 4.1Å; R264-C269 WeakPolarHBondContact O-CB 3.17Å; R264-C269 PolarHBondContact O-N 3.23Å; R264-C269 PolarHBondContact O-SG 3.11Å; R264-C269 VanDerWaalsContact O-SG 3.34Å
265	Q	90.7	Very high	88.1	Confident	157 Å²	157	69 Å²	69	73%	0.734	37%	0.367	S	S	*	.	H	α-helix	trans	-67.6	-48.5	175.4	-175.9	178.7	12.5	0	0	111.5	S261 E262 I263 V267 G268	S261-Q265 WeakPolarHBondContact O-CB 3.39Å; S261-Q265 PolarHBondContact O-N 3.38Å; E262-Q265 PolarHBondContact O-N 2.9Å; I263-Q265 VanDerWaalsContact C-N 3.27Å; I263-Q265 PolarHBondContact O-N 3.38Å; Q265-V267 VanDerWaalsContact C-N 3.29Å; Q265-V267 PolarHBondContact O-N 2.9Å; Q265-G268 PolarHBondContact O-N 2.82Å
266	L	88.5	Confident	87.8	Confident	52 Å²	52	69.9 Å²	69.9	27%	0.272	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-39	-179.1	-78.2	170.2	0	0	0	111.5	P33 V37 E262 I263 G268	P33-L266 WeakPolarHBondContact CG-O 3.44Å; V37-L266 HydrophobicContact CG1-CD1 3.84Å; V37-L266 HydrophobicContact CG2-CB 4.24Å; E262-L266 WeakPolarHBondContact O-CB 3.49Å; E262-L266 WeakPolarHBondContact O-CG 3.07Å; E262-L266 PolarHBondContact O-N 3.32Å; I263-L266 PolarHBondContact O-N 3.03Å; L266-G268 VanDerWaalsContact C-N 3.27Å; L266-G268 PolarHBondContact O-N 3.24Å
267	V	89.4	Confident	87.4	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.7	177.7	-48.6	0	0	0	0	113.1	F32 V37 R240 L243 I263 Q265 C269	F32-V267 HydrophobicContact CE1-CB 4.38Å; F32-V267 HydrophobicContact CE1-CG1 3.96Å; F32-V267 HydrophobicContact CE2-CB 3.77Å; F32-V267 HydrophobicContact CE2-CG1 3.91Å; F32-V267 HydrophobicContact CZ-CB 3.62Å; F32-V267 HydrophobicContact CZ-CG1 3.25Å; V37-V267 HydrophobicContact CG2-CG1 3.59Å; R240-V267 HydrophobicContact CG-CB 4.35Å; R240-V267 HydrophobicContact CG-CG2 4.4Å; R240-V267 PolarHBondContact NE-O 3.43Å; R240-V267 PolarHBondContact NH1-O 2.88Å; R240-V267 PolarHBondContact NH2-O 2.94Å; L243-V267 HydrophobicContact CB-CG2 4.22Å; L243-V267 HydrophobicContact CD1-CG1 3.92Å; I263-V267 HydrophobicContact CG2-CG1 4.34Å; I263-V267 WeakPolarHBondContact O-CG1 3.34Å; I263-V267 WeakPolarHBondContact O-CG2 3.39Å; I263-V267 PolarHBondContact O-N 3.31Å; Q265-V267 VanDerWaalsContact C-N 3.29Å; Q265-V267 PolarHBondContact O-N 2.9Å; V267-C269 WeakPolarHBondContact CG2-SG 3.32Å
268	G	90.4	Very high	87	Confident	33 Å²	33	79.1 Å²	79.1	34%	0.34	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	35.9	173	0	0	0	0	0	115.2	R240 R264 Q265 L266	R240-G268 VanDerWaalsContact NH2-C 3.34Å; R240-G268 PolarHBondContact NH2-O 2.64Å; R264-G268 PolarHBondContact O-N 3.2Å; Q265-G268 PolarHBondContact O-N 2.82Å; L266-G268 VanDerWaalsContact C-N 3.27Å; L266-G268 PolarHBondContact O-N 3.24Å
269	C	90.9	Very high	86.6	Confident	22 Å²	22	77.1 Å²	77.1	15%	0.149	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-60.5	147.2	177.1	-61	0	0	0	0	112.1	C244 R264 V267 R271	C244-C269 WeakPolarHBondContact CA-SG 3.5Å; C244-C269 HydrophobicContact CB-CB 3.79Å; C244-C269 WeakPolarHBondContact CB-SG 3.47Å; C244-C269 WeakPolarHBondContact SG-CA 3.25Å; C244-C269 WeakPolarHBondContact SG-CB 3.37Å; C244-C269 CovalentContact SG-SG 2.04Å; C244-C269 PolarHBondContact SG-SG 3.13Å; R264-C269 HydrophobicContact CB-CB 4.1Å; R264-C269 WeakPolarHBondContact O-CB 3.17Å; R264-C269 PolarHBondContact O-N 3.23Å; R264-C269 PolarHBondContact O-SG 3.11Å; R264-C269 VanDerWaalsContact O-SG 3.34Å; V267-C269 WeakPolarHBondContact CG2-SG 3.32Å; C269-R271 PolarHBondContact O-N 3.31Å
270	P	84	Confident	86.1	Confident	115 Å²	115	82.2 Å²	82.2	75%	0.747	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-55.6	137.9	170.8	-18.4	29.8	0	0	0	109.7	S272	P270-S272 PolarHBondContact O-N 3.05Å
271	R	72.1	Confident	85.7	Confident	245 Å²	245	86.7 Å²	86.7	93%	0.925	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-65.2	127.1	172.1	-68	-177.3	-179.9	148.8	-0	108.4	C269	C269-R271 PolarHBondContact O-N 3.31Å
272	S	62.3	Low	85.3	Confident	191 Å²	191	87.2 Å²	87.2	100%	1.336	47%	0.466	S	S	*	.			trans	-65.3	0	173.9	56.1	0	0	0	0	111.9	P270	P270-S272 PolarHBondContact O-N 3.05Å

Retrieved 272 of 272 residues in 76.3 ms (Link to these results)

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