A0A077Z547_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z547, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.9	Very low	25.9	Very low	245 Å²	245	163.5 Å²	163.5	100%	1.207	82%	0.818	S	S	*	*				0	114.2	0	-79.8	-179.1	164.8	0	0	110.2
2	R	22.1	Very low	26.5	Very low	239 Å²	239	158.9 Å²	158.9	90%	0.902	81%	0.813	S	S	*	*			trans	176.8	94.4	141	-97.9	173.5	-173.7	-164.4	2.4	107.1	F4	R2-F4 PolarHBondContact O-N 3.28Å
3	S	23.4	Very low	26.7	Very low	110 Å²	110	158.8 Å²	158.8	77%	0.769	81%	0.807	S	S	*	*			trans	-64.7	118.9	170.3	161.3	0	0	0	0	108.2	R5	S3-R5 PolarHBondContact O-N 3Å; S3-R5 VanDerWaalsContact O-N 3.07Å
4	F	24	Very low	26.5	Very low	197 Å²	197	155.4 Å²	155.4	86%	0.864	80%	0.803	S	S	*	*			trans	-71.9	100	169.6	-77	-86.4	0	0	0	107.9	R2 N6	R2-F4 PolarHBondContact O-N 3.28Å; F4-N6 PolarHBondContact O-N 3.36Å
5	R	22.1	Very low	26.4	Very low	222 Å²	222	160.8 Å²	160.8	84%	0.838	81%	0.809	S	S	*	*			trans	-63.5	112.6	167.8	-72	-179	175.4	-177.9	-2	107.3	S3 C7	S3-R5 PolarHBondContact O-N 3Å; S3-R5 VanDerWaalsContact O-N 3.07Å; R5-C7 PolarHBondContact O-N 3.42Å
6	N	25.6	Very low	26.7	Very low	151 Å²	151	159.9 Å²	159.9	81%	0.807	81%	0.808	S	S	*	*			trans	-53.3	101.6	164.2	-80.8	-26.3	0	0	0	108	F4 Y8	F4-N6 PolarHBondContact O-N 3.36Å; N6-Y8 PolarHBondContact O-N 3.38Å
7	C	22.3	Very low	26.9	Very low	116 Å²	116	157.1 Å²	157.1	78%	0.784	81%	0.806	S	S	*	*			trans	-70.6	80.6	171.9	-70.6	0	0	0	0	108.5	R5 V9	R5-C7 PolarHBondContact O-N 3.42Å; C7-V9 PolarHBondContact O-N 3.27Å; C7-V9 VanDerWaalsContact O-N 3.13Å
8	Y	26.6	Very low	26.9	Very low	215 Å²	215	156.7 Å²	156.7	84%	0.843	81%	0.806	S	S	*	*			trans	-66	96.5	158.9	-137.1	-94	0	0	0	105.9	N6 P10	N6-Y8 PolarHBondContact O-N 3.38Å; Y8-P10 VanDerWaalsContact O-CD 3.26Å; Y8-P10 WeakPolarHBondContact O-CD 3.44Å
9	V	27.5	Very low	26.9	Very low	103 Å²	103	158.3 Å²	158.3	62%	0.624	81%	0.809	S	S	*	*			trans	-82.1	114.7	174	-173.9	0	0	0	0	107.4	C7	C7-V9 PolarHBondContact O-N 3.27Å; C7-V9 VanDerWaalsContact O-N 3.13Å
10	P	27.3	Very low	27	Very low	86 Å²	86	155.2 Å²	155.2	56%	0.558	81%	0.808	S	S	*	*			trans	-67	145.9	179.8	-16.8	32	0	0	0	110.9	Y8 S12	Y8-P10 VanDerWaalsContact O-CD 3.26Å; Y8-P10 WeakPolarHBondContact O-CD 3.44Å; P10-S12 PolarHBondContact O-N 2.75Å
11	S	37.7	Very low	27	Very low	114 Å²	114	155.9 Å²	155.9	80%	0.797	81%	0.81	S	S	*	*	G	3₁₀ helix	trans	-56.3	-6	-173.3	43.5	0	0	0	0	116.7	Q13	S11-Q13 VanDerWaalsContact C-N 3.32Å; S11-Q13 PolarHBondContact O-N 3.26Å
12	S	33.8	Very low	26.9	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-78.9	-5.1	-177	55.6	0	0	0	0	115.1	P10	P10-S12 PolarHBondContact O-N 2.75Å
13	Q	28.3	Very low	27.2	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.734	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-102	2.7	176	-71.5	-173	-2.7	0	0	115.2	S11 R15	S11-Q13 VanDerWaalsContact C-N 3.32Å; S11-Q13 PolarHBondContact O-N 3.26Å; Q13-R15 PolarHBondContact O-N 3.19Å
14	C	24.7	Very low	27.4	Very low	112 Å²	112	143.2 Å²	143.2	76%	0.757	78%	0.782	S	S	*	*			trans	-76.3	75.6	168.6	-73.2	0	0	0	0	110.1	N16	C14-N16 PolarHBondContact O-N 3.21Å
15	R	24.8	Very low	27.7	Very low	236 Å²	236	138.1 Å²	138.1	89%	0.891	78%	0.776	S	S	*	*			trans	-63.1	119.7	162.6	-79.2	-176	177.2	-178.7	-0.4	107.5	Q13 S17	Q13-R15 PolarHBondContact O-N 3.19Å; R15-S17 PolarHBondContact O-N 2.88Å
16	N	30.8	Very low	28.1	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	78%	0.782	S	S	*	*			trans	-55.7	105.2	172.4	-76.6	-43.7	0	0	0	108.6	C14 N18	C14-N16 PolarHBondContact O-N 3.21Å; N16-N18 PolarHBondContact O-N 2.95Å
17	S	30.3	Very low	28.3	Very low	111 Å²	111	132 Å²	132	78%	0.776	77%	0.774	S	S	*	*			trans	-72.7	76.1	168.1	45.6	0	0	0	0	109.2	R15 E19	R15-S17 PolarHBondContact O-N 2.88Å; S17-E19 VanDerWaalsContact C-N 3.34Å
18	N	27.3	Very low	28.9	Very low	150 Å²	150	133.2 Å²	133.2	80%	0.802	77%	0.772	S	S	*	*			trans	-100.8	59.3	156	-72.3	-26.8	0	0	0	107.5	N16	N16-N18 PolarHBondContact O-N 2.95Å
19	E	27.1	Very low	29.7	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	78%	0.775	S	S	*	*			trans	-99.8	97.9	169	-75.5	-178.9	176	0	0	107.6	S17	S17-E19 VanDerWaalsContact C-N 3.34Å
20	A	29.1	Very low	30.3	Very low	96 Å²	96	136.4 Å²	136.4	79%	0.793	78%	0.782	S	S	*	*			trans	-82.5	121.7	171.6	0	0	0	0	0	108.8
21	M	26.2	Very low	30.7	Very low	171 Å²	171	136.8 Å²	136.8	84%	0.842	78%	0.783	S	S	*	*			trans	-149	107.5	162.9	-62.7	-168.3	91.5	0	0	107.8
22	S	25.1	Very low	30.7	Very low	104 Å²	104	136 Å²	136	73%	0.727	77%	0.773	S	S	*	*				79.9	132.2	103.4	72.1	0	0	0	0	111.4
23	S	26.9	Very low	30.7	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	78%	0.775	S	S	*	*			cis	-175.1	164.7	24	40.1	0	0	0	0	108.4
24	S	27.6	Very low	31	Very low	118 Å²	118	138.7 Å²	138.7	83%	0.825	78%	0.775	S	S	*	*			trans	103.4	140.6	153.3	81.7	0	0	0	0	118.2
25	A	31	Very low	31.4	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	77%	0.767	S	S	*	*			trans	78.3	80.5	167.9	0	0	0	0	0	118.3
26	L	31.1	Very low	31.7	Very low	185 Å²	185	135.7 Å²	135.7	97%	0.969	76%	0.764	S	S	*	*				14.8	116.6	124.3	-73.4	150.1	0	0	0	116.6
27	G	29.9	Very low	31.7	Very low	61 Å²	61	135.5 Å²	135.5	63%	0.629	76%	0.762	S	S	*	*			trans	155.1	106	158.1	0	0	0	0	0	114.2
28	N	34.6	Very low	31.7	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	76%	0.759	S	S	*	*			trans	91.4	87.7	153.8	-53.1	-21.8	0	0	0	117	L30 T31	N28-L30 PolarHBondContact O-N 3.35Å; N28-T31 PolarHBondContact O-N 3.22Å; N28-T31 PolarHBondContact O-OG1 3.29Å; N28-T31 VanDerWaalsContact O-OG1 3.05Å
29	R	42.9	Very low	32.1	Very low	235 Å²	235	140 Å²	140	89%	0.887	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	5.9	168.8	-91.7	178.8	162.5	-178.5	-5.3	116.9
30	L	39.6	Very low	32.1	Very low	150 Å²	150	140.4 Å²	140.4	79%	0.785	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-18.7	176	-71.2	170.7	0	0	0	113.8	N28	N28-L30 PolarHBondContact O-N 3.35Å
31	T	36.7	Very low	32.1	Very low	94 Å²	94	142.4 Å²	142.4	58%	0.577	75%	0.75	S	S	*	*	H	α-helix	trans	-80.3	-14.1	177.1	34	0	0	0	0	114.2	N28 F33 L34 T35	N28-T31 PolarHBondContact O-N 3.22Å; N28-T31 PolarHBondContact O-OG1 3.29Å; N28-T31 VanDerWaalsContact O-OG1 3.05Å; T31-F33 VanDerWaalsContact C-N 3.28Å; T31-F33 PolarHBondContact O-N 3.46Å; T31-L34 PolarHBondContact O-N 3.12Å; T31-T35 PolarHBondContact O-OG1 3.44Å
32	V	36.6	Very low	32.1	Very low	97 Å²	97	141.5 Å²	141.5	59%	0.588	75%	0.745	S	S	*	*	H	α-helix	trans	-71.8	-23.6	177.1	-174.1	0	0	0	0	111.8	T35	V32-T35 PolarHBondContact O-OG1 3.22Å
33	F	34.4	Very low	32.5	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.803	74%	0.742	S	S	*	*	H	α-helix	trans	-86.1	-24.8	177	-97.6	-86.3	0	0	0	114.3	T31 T35	T31-F33 VanDerWaalsContact C-N 3.28Å; T31-F33 PolarHBondContact O-N 3.46Å; F33-T35 VanDerWaalsContact C-N 3.31Å; F33-T35 PolarHBondContact O-N 3.41Å
34	L	34.8	Very low	32.7	Very low	139 Å²	139	146.5 Å²	146.5	73%	0.728	73%	0.734	S	S	*	*	H	α-helix	trans	-79.7	-11.9	178.8	-97.8	154.2	0	0	0	113.8	T31	T31-L34 PolarHBondContact O-N 3.12Å
35	T	32.6	Very low	32.9	Very low	96 Å²	96	150.4 Å²	150.4	59%	0.589	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-7.6	-179.6	35.6	0	0	0	0	114.8	T31 V32 F33	T31-T35 PolarHBondContact O-OG1 3.44Å; V32-T35 PolarHBondContact O-OG1 3.22Å; F33-T35 VanDerWaalsContact C-N 3.31Å; F33-T35 PolarHBondContact O-N 3.41Å
36	F	32.1	Very low	33.1	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.833	72%	0.718	S	S	*	*	S	Bend	trans	-89.7	-14.1	178.4	-97.6	-88.5	0	0	0	115.8
37	I	28.9	Very low	33.4	Very low	143 Å²	143	147.4 Å²	147.4	73%	0.733	71%	0.708	S	S	*	*			trans	-116.5	21.1	178.4	-40.8	-178.8	0	0	0	112.4	R39	I37-R39 PolarHBondContact O-N 3.32Å
38	L	31.9	Very low	33.8	Very low	139 Å²	139	148.2 Å²	148.2	73%	0.728	70%	0.704	S	S	*	*	S	Bend	trans	-75	79.8	151.7	-68.4	-179.7	0	0	0	107.3	K40	L38-K40 PolarHBondContact O-N 3.32Å
39	R	34.7	Very low	33.8	Very low	216 Å²	216	142.6 Å²	142.6	82%	0.815	68%	0.675	S	S	*	*			trans	-34.6	104.1	164.4	-86.2	176.3	168.4	165	-3.2	107.1	I37 K41	I37-R39 PolarHBondContact O-N 3.32Å; R39-K41 PolarHBondContact O-N 3.17Å
40	K	28	Very low	33.5	Very low	196 Å²	196	135.1 Å²	135.1	85%	0.852	66%	0.656	S	S	*	*			trans	-54.1	98.2	168.1	-77.2	-168.7	176.7	-176.8	0	105.4	L38 M42	L38-K40 PolarHBondContact O-N 3.32Å; K40-M42 PolarHBondContact O-N 3.28Å
41	K	29	Very low	33.2	Very low	138 Å²	138	131.7 Å²	131.7	60%	0.6	64%	0.638	S	S	*	*			trans	-63.5	99.3	170	-74.5	-177.5	179.3	177.7	0	103.8	R39 Y43	R39-K41 PolarHBondContact O-N 3.17Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 HydrophobicContact CB-CE2 4.07Å; K41-Y43 WeakPolarHBondContact O-CD2 3.43Å; K41-Y43 PolarHBondContact O-N 2.89Å
42	M	26.1	Very low	33.2	Very low	152 Å²	152	132.6 Å²	132.6	75%	0.749	63%	0.634	S	S	*	*			trans	-65.4	93.6	176.2	-72.2	-172.8	85.8	0	0	107.1	K40 Y44	K40-M42 PolarHBondContact O-N 3.28Å; M42-Y44 PolarHBondContact O-N 3.41Å
43	Y	32.5	Very low	32.9	Very low	169 Å²	169	135.8 Å²	135.8	66%	0.663	64%	0.637	S	S	*	*			trans	-63.9	121.6	159.9	-63.6	-86.4	0	0	0	106	K41 K45	K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 HydrophobicContact CB-CE2 4.07Å; K41-Y43 WeakPolarHBondContact O-CD2 3.43Å; K41-Y43 PolarHBondContact O-N 2.89Å; Y43-K45 VanDerWaalsContact C-N 3.32Å; Y43-K45 PolarHBondContact O-N 3.37Å
44	Y	32.3	Very low	33.1	Very low	145 Å²	145	130.6 Å²	130.6	57%	0.569	61%	0.612	S	S	*	*			trans	-65	91.8	-178.4	-169.2	-102.4	0	0	0	109	M42 R46	M42-Y44 PolarHBondContact O-N 3.41Å; Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 HydrophobicContact CD1-CB 3.89Å; Y44-R46 HydrophobicContact CE1-CB 3.62Å; Y44-R46 HydrophobicContact CE1-CG 3.9Å; Y44-R46 PolarHBondContact O-N 3.25Å
45	K	32.3	Very low	33	Very low	200 Å²	200	131 Å²	131	87%	0.87	61%	0.61	S	S	*	*			trans	-74.7	83.3	166.7	-93.4	-172.3	174.6	-175.7	0	107.6	Y43	Y43-K45 VanDerWaalsContact C-N 3.32Å; Y43-K45 PolarHBondContact O-N 3.37Å
46	R	33.8	Very low	33.5	Very low	95 Å²	95	126.9 Å²	126.9	36%	0.358	59%	0.586	S	S	.	*			trans	-74.8	132.5	161.4	-156	176.8	155.4	128.2	1	107	Y44 S48 C49	Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 HydrophobicContact CD1-CB 3.89Å; Y44-R46 HydrophobicContact CE1-CB 3.62Å; Y44-R46 HydrophobicContact CE1-CG 3.9Å; Y44-R46 PolarHBondContact O-N 3.25Å; R46-S48 WeakPolarHBondContact CD-OG 3.21Å; R46-S48 PolarHBondContact NE-OG 3.41Å; R46-S48 PolarHBondContact O-N 3.15Å; R46-C49 CarbonylContact O-C 3.54Å; R46-C49 PolarHBondContact O-N 3.35Å
47	P	38.5	Very low	34.1	Very low	117 Å²	117	122.2 Å²	122.2	76%	0.76	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-25.4	178.5	-25.6	33.1	0	0	0	113.6	V50	P47-V50 WeakPolarHBondContact O-CG2 3.33Å
48	S	37.5	Very low	34.8	Very low	78 Å²	78	119.9 Å²	119.9	55%	0.545	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-14	177.2	62.3	0	0	0	0	114.5	R46	R46-S48 WeakPolarHBondContact CD-OG 3.21Å; R46-S48 PolarHBondContact NE-OG 3.41Å; R46-S48 PolarHBondContact O-N 3.15Å
49	C	34.7	Very low	35.8	Very low	22 Å²	22	117.5 Å²	117.5	15%	0.149	54%	0.544	C	S	.	.			trans	-110.7	61.8	175	-49.2	0	0	0	0	107	R46 N51 F120 C124	R46-C49 CarbonylContact O-C 3.54Å; R46-C49 PolarHBondContact O-N 3.35Å; C49-N51 PolarHBondContact O-N 2.81Å; C49-N51 VanDerWaalsContact O-N 3.17Å; C49-F120 HydrophobicContact CB-CE1 4.26Å; C49-F120 HydrophobicContact CB-CZ 4.44Å; C49-C124 HydrophobicContact CB-CB 4.5Å; C49-C124 WeakPolarHBondContact CB-SG 3.32Å; C49-C124 WeakPolarHBondContact SG-CB 3.19Å; C49-C124 CovalentContact SG-SG 2.08Å; C49-C124 PolarHBondContact SG-SG 3.23Å
50	V	36.4	Very low	36.8	Very low	79 Å²	79	111.1 Å²	111.1	48%	0.479	53%	0.526	S	S	.	.			trans	-69.8	108.5	166.3	-172.6	0	0	0	0	106.1	P47 F52	P47-V50 WeakPolarHBondContact O-CG2 3.33Å; V50-F52 HydrophobicContact CB-CD2 4.25Å; V50-F52 HydrophobicContact CB-CE2 3.72Å; V50-F52 HydrophobicContact CB-CZ 4.28Å; V50-F52 HydrophobicContact CG1-CD2 4.01Å; V50-F52 HydrophobicContact CG1-CE1 4.2Å; V50-F52 HydrophobicContact CG1-CE2 3.45Å; V50-F52 VanDerWaalsContact CG1-CE2 3.45Å; V50-F52 HydrophobicContact CG1-CZ 3.56Å; V50-F52 PolarHBondContact O-N 2.59Å
51	N	34.3	Very low	38.2	Very low	77 Å²	77	106.9 Å²	106.9	41%	0.412	51%	0.509	S	S	.	.			trans	-66.9	113.4	172.4	-77.4	-16	0	0	0	108.2	C49 Y53	C49-N51 PolarHBondContact O-N 2.81Å; C49-N51 VanDerWaalsContact O-N 3.17Å; N51-Y53 HydrophobicContact CB-CD2 4.47Å; N51-Y53 HydrophobicContact CB-CE2 3.95Å
52	F	36.2	Very low	39.7	Very low	114 Å²	114	105.3 Å²	105.3	50%	0.5	51%	0.512	S	S	.	.			trans	-101.6	109.2	163.5	-69.5	-79.4	0	0	0	106.8	V50 Y54 Q108	V50-F52 HydrophobicContact CB-CD2 4.25Å; V50-F52 HydrophobicContact CB-CE2 3.72Å; V50-F52 HydrophobicContact CB-CZ 4.28Å; V50-F52 HydrophobicContact CG1-CD2 4.01Å; V50-F52 HydrophobicContact CG1-CE1 4.2Å; V50-F52 HydrophobicContact CG1-CE2 3.45Å; V50-F52 VanDerWaalsContact CG1-CE2 3.45Å; V50-F52 HydrophobicContact CG1-CZ 3.56Å; V50-F52 PolarHBondContact O-N 2.59Å; F52-Y54 HydrophobicContact CB-CD2 4.25Å; F52-Y54 HydrophobicContact CB-CE2 3.58Å; F52-Q108 PolarHBondContact O-NE2 3.03Å; F52-Q108 PolarHBondContact O-OE1 3.33Å
53	Y	30.6	Very low	41.4	Very low	164 Å²	164	98.9 Å²	98.9	64%	0.643	48%	0.482	S	S	*	.			trans	-81	115.6	168.3	-65.5	-78.9	0	0	0	107.1	N51	N51-Y53 HydrophobicContact CB-CD2 4.47Å; N51-Y53 HydrophobicContact CB-CE2 3.95Å
54	Y	38.1	Very low	43.1	Very low	73 Å²	73	98.6 Å²	98.6	29%	0.286	49%	0.486	S	S	.	.			trans	-98.2	123.3	167.1	-66.7	-86.8	0	0	0	107.7	F52 V56 T85 F107 I109	F52-Y54 HydrophobicContact CB-CD2 4.25Å; F52-Y54 HydrophobicContact CB-CE2 3.58Å; Y54-V56 VanDerWaalsContact C-N 3.33Å; Y54-V56 PolarHBondContact O-N 3.12Å; Y54-T85 HydrophobicContact CE1-CG2 4.34Å; Y54-F107 HydrophobicContact CD2-CE2 4.38Å; Y54-F107 HydrophobicContact CD2-CZ 4.25Å; Y54-F107 HydrophobicContact CG-CZ 4.23Å; Y54-I109 HydrophobicContact CD2-CD1 3.77Å; Y54-I109 HydrophobicContact CD2-CG1 4.09Å; Y54-I109 HydrophobicContact CE2-CB 4.38Å; Y54-I109 HydrophobicContact CE2-CD1 3.38Å; Y54-I109 HydrophobicContact CE2-CG1 3.79Å; Y54-I109 HydrophobicContact CG-CD1 4.5Å
55	E	33.9	Very low	45	Very low	147 Å²	147	100.1 Å²	100.1	69%	0.687	50%	0.496	S	S	*	.			trans	-70	96	164	-70.6	-175.4	167.9	0	0	107.9	L57	E55-L57 PolarHBondContact O-N 3.38Å
56	V	41.7	Very low	47.3	Very low	11 Å²	11	92.7 Å²	92.7	7%	0.067	47%	0.467	C	S	.	.			trans	-83	98.9	165.5	170.2	0	0	0	0	107.3	Y54 M58 V80 M82 F94 F107	Y54-V56 VanDerWaalsContact C-N 3.33Å; Y54-V56 PolarHBondContact O-N 3.12Å; V56-M58 HydrophobicContact CG1-CG 3.71Å; V56-M58 PolarHBondContact O-N 3.14Å; V56-V80 HydrophobicContact CG1-CG1 4.47Å; V56-M82 HydrophobicContact CG2-CG 4.17Å; V56-F94 HydrophobicContact CG1-CE1 4.14Å; V56-F94 HydrophobicContact CG1-CZ 4.38Å; V56-F94 HydrophobicContact CG2-CZ 4.12Å; V56-F107 HydrophobicContact CB-CE1 3.95Å; V56-F107 HydrophobicContact CG2-CD1 4.29Å; V56-F107 HydrophobicContact CG2-CE1 3.16Å; V56-F107 HydrophobicContact CG2-CZ 3.42Å; V56-F107 VanDerWaalsContact CG2-CZ 3.42Å
57	L	45.7	Very low	49.9	Very low	91 Å²	91	91.3 Å²	91.3	48%	0.476	47%	0.467	S	S	.	.			trans	-74	109.4	154.5	-70.2	168.5	0	0	0	105.7	E55 D59 K83	E55-L57 PolarHBondContact O-N 3.38Å; L57-D59 PolarHBondContact O-N 3.31Å; L57-K83 HydrophobicContact CD1-CD 4.34Å
58	M	43.1	Very low	52.3	Low	94 Å²	94	85.7 Å²	85.7	46%	0.463	43%	0.431	S	S	.	.			trans	-75.9	77	173	-63.5	-174.6	-165.9	0	0	108.3	V56 L103	V56-M58 HydrophobicContact CG1-CG 3.71Å; V56-M58 PolarHBondContact O-N 3.14Å; M58-L103 WeakPolarHBondContact CE-O 3.3Å
59	D	52.9	Low	54.7	Low	90 Å²	90	84.9 Å²	84.9	48%	0.481	42%	0.419	S	S	.	.			trans	-92.4	107	171.3	-65.3	-24.3	0	0	0	107.6	L57 Q61	L57-D59 PolarHBondContact O-N 3.31Å; D59-Q61 HydrophobicContact CB-CG 4.32Å; D59-Q61 PolarHBondContact O-N 3.28Å
60	L	56	Low	57.2	Low	82 Å²	82	86.9 Å²	86.9	43%	0.429	42%	0.423	S	S	.	.			trans	-68.5	94.8	171.6	-72	169.1	0	0	0	107.8	F78	L60-F78 HydrophobicContact CB-CB 3.94Å; L60-F78 HydrophobicContact CB-CD1 3.78Å; L60-F78 HydrophobicContact CB-CG 4.04Å; L60-F78 HydrophobicContact CD2-CB 3.77Å; L60-F78 HydrophobicContact CG-CB 4.36Å; L60-F78 WeakPolarHBondContact O-CD1 3.47Å
61	Q	57.4	Low	59.7	Low	107 Å²	107	85.4 Å²	85.4	50%	0.5	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.1	176.1	-69.1	-173.7	-24.5	0	0	110.9	D59 V63 A79	D59-Q61 HydrophobicContact CB-CG 4.32Å; D59-Q61 PolarHBondContact O-N 3.28Å; Q61-V63 PolarHBondContact O-N 3.32Å; Q61-A79 PolarHBondContact O-N 3.1Å
62	P	59.4	Low	62.4	Low	104 Å²	104	89.6 Å²	89.6	68%	0.675	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.9	168.1	-16.2	28.4	0	0	0	109.8
63	V	62.3	Low	65	Low	17 Å²	17	90.3 Å²	90.3	10%	0.103	43%	0.431	C	S	.	.			trans	-126.9	136.4	173.1	-73.1	0	0	0	0	109.8	Q61 V66 I75 G77 A79	Q61-V63 PolarHBondContact O-N 3.32Å; V63-V66 HydrophobicContact CB-CG2 4.43Å; V63-I75 HydrophobicContact CG2-CB 4.15Å; V63-I75 HydrophobicContact CG2-CG2 3.94Å; V63-G77 PolarHBondContact N-O 2.92Å; V63-A79 HydrophobicContact CG1-CB 4.34Å; V63-A79 HydrophobicContact CG2-CB 3.58Å
64	E	67.1	Low	67.6	Low	163 Å²	163	87.6 Å²	87.6	76%	0.762	42%	0.424	S	S	*	.	S	Bend	trans	-103.8	129.9	174.5	-65.5	-174.4	172.6	0	0	109.5	V66	E64-V66 PolarHBondContact O-N 2.76Å
65	F	73	Confident	69.4	Low	178 Å²	178	84.2 Å²	84.2	78%	0.781	41%	0.411	S	S	*	.	S	Bend	trans	56.9	41.3	172.2	-48.1	-75.5	0	0	0	116.5
66	V	81.5	Confident	71.4	Confident	43 Å²	43	85 Å²	85	26%	0.261	42%	0.417	S	S	.	.			trans	-114.9	135.3	174.2	-175.2	0	0	0	0	111.2	V63 E64 I75 V88	V63-V66 HydrophobicContact CB-CG2 4.43Å; E64-V66 PolarHBondContact O-N 2.76Å; V66-I75 PolarHBondContact O-N 3.1Å; V66-V88 HydrophobicContact CG1-CB 3.84Å; V66-V88 HydrophobicContact CG1-CG1 4.33Å; V66-V88 HydrophobicContact CG1-CG2 3.89Å
67	N	88.3	Confident	72.8	Confident	66 Å²	66	86.6 Å²	86.6	35%	0.353	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-88.3	141.4	175.3	-67.5	4.1	0	0	0	110.8	Q69 W72 H74	N67-Q69 PolarHBondContact O-N 2.75Å; N67-W72 WeakPolarHBondContact CB-O 3.44Å; N67-W72 PolarHBondContact ND2-O 3.18Å; N67-H74 PolarHBondContact OD1-CE1 3.43Å; N67-H74 PolarHBondContact OD1-ND1 3.17Å; N67-H74 VanDerWaalsContact OD1-ND1 3.14Å; N67-H74 PolarHBondContact OD1-NE2 2.99Å
68	C	88.3	Confident	74.1	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	44%	0.439	C	S	.	.			trans	-65.3	124.7	174.5	175.1	0	0	0	0	110.7	R70 C71 W72 E73 I75 V88 H90 C93	C68-R70 PolarHBondContact O-N 2.94Å; C68-C71 PolarHBondContact O-N 2.88Å; C68-C71 VanDerWaalsContact SG-SG 3.64Å; C68-W72 WeakPolarHBondContact O-CA 3.29Å; C68-W72 PolarHBondContact O-N 3.24Å; C68-E73 WeakPolarHBondContact CB-O 3.14Å; C68-E73 PolarHBondContact N-O 3.12Å; C68-I75 HydrophobicContact CB-CD1 4.03Å; C68-I75 HydrophobicContact CB-CG1 3.85Å; C68-V88 WeakPolarHBondContact CA-O 3.33Å; C68-H90 WeakPolarHBondContact CB-CE1 3.09Å; C68-H90 WeakPolarHBondContact CB-ND1 3.12Å; C68-H90 PolarHBondContact SG-N 2.68Å; C68-H90 VanDerWaalsContact SG-N 3.4Å; C68-H90 PolarHBondContact SG-ND1 3.35Å; C68-C93 VanDerWaalsContact SG-CB 3.53Å
69	Q	87.7	Confident	75.6	Confident	61 Å²	61	84 Å²	84	29%	0.285	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.3	-177.6	-178.2	61.9	70.2	0	0	113.7	N67 K87 V88 F89	N67-Q69 PolarHBondContact O-N 2.75Å; Q69-K87 HydrophobicContact CB-CB 4.36Å; Q69-K87 HydrophobicContact CG-CB 4.15Å; Q69-K87 HydrophobicContact CG-CD 4.13Å; Q69-K87 HydrophobicContact CG-CG 4.05Å; Q69-V88 WeakPolarHBondContact CB-O 3.49Å; Q69-V88 PolarHBondContact N-O 3.01Å; Q69-F89 HydrophobicContact CB-CD1 4.09Å; Q69-F89 HydrophobicContact CB-CE1 3.59Å; Q69-F89 HydrophobicContact CB-CE2 4.44Å; Q69-F89 HydrophobicContact CB-CZ 3.77Å; Q69-F89 HydrophobicContact CG-CE1 3.98Å; Q69-F89 HydrophobicContact CG-CZ 3.94Å
70	R	87.7	Confident	76.9	Confident	63 Å²	63	80 Å²	80	24%	0.238	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-53.8	178.6	-178.5	177.2	-173.4	141.7	2.9	113.6	C68 F89 C93 R95	C68-R70 PolarHBondContact O-N 2.94Å; R70-F89 HydrophobicContact CB-CD1 4.04Å; R70-F89 HydrophobicContact CB-CE1 4.32Å; R70-C93 HydrophobicContact CB-CB 4.09Å; R70-C93 WeakPolarHBondContact CD-O 3.34Å; R70-C93 HydrophobicContact CG-CB 4.5Å; R70-C93 PolarHBondContact NH1-O 2.82Å; R70-R95 VanDerWaalsContact CZ-CG 3.47Å; R70-R95 PolarHBondContact NH1-O 3.39Å
71	C	89.7	Confident	77.8	Confident	49 Å²	49	80.6 Å²	80.6	33%	0.331	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.8	-174	67	0	0	0	0	113.3	C68 E73 H90	C68-C71 PolarHBondContact O-N 2.88Å; C68-C71 VanDerWaalsContact SG-SG 3.64Å; C71-E73 PolarHBondContact O-N 3.41Å; C71-H90 PolarHBondContact SG-CE1 2.72Å; C71-H90 PolarHBondContact SG-ND1 3.05Å
72	W	89.4	Confident	78.7	Confident	165 Å²	165	75.5 Å²	75.5	63%	0.625	37%	0.369	S	S	*	.			trans	62.1	-0.5	-179.6	-64.7	96.1	0	0	0	116.5	N67 C68	N67-W72 WeakPolarHBondContact CB-O 3.44Å; N67-W72 PolarHBondContact ND2-O 3.18Å; C68-W72 WeakPolarHBondContact O-CA 3.29Å; C68-W72 PolarHBondContact O-N 3.24Å
73	E	90.9	Very high	79.1	Confident	129 Å²	129	76.5 Å²	76.5	60%	0.603	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-75.1	152.1	172	-61.2	-55.6	145.7	0	0	112.7	C68 C71	C68-E73 WeakPolarHBondContact CB-O 3.14Å; C68-E73 PolarHBondContact N-O 3.12Å; C71-E73 PolarHBondContact O-N 3.41Å
74	H	84.7	Confident	79.5	Confident	106 Å²	106	79.8 Å²	79.8	49%	0.491	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-58	139.1	175.8	-86.3	-77.4	0	0	0	111.9	N67 H90	N67-H74 PolarHBondContact OD1-CE1 3.43Å; N67-H74 PolarHBondContact OD1-ND1 3.17Å; N67-H74 VanDerWaalsContact OD1-ND1 3.14Å; N67-H74 PolarHBondContact OD1-NE2 2.99Å; H74-H90 PolarHBondContact O-NE2 2.82Å
75	I	76.8	Confident	79.9	Confident	3 Å²	3	74 Å²	74	2%	0.015	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-92.9	116.7	171.4	-55.2	170.3	0	0	0	108.6	V63 V66 C68 A79 V88	V63-I75 HydrophobicContact CG2-CB 4.15Å; V63-I75 HydrophobicContact CG2-CG2 3.94Å; V66-I75 PolarHBondContact O-N 3.1Å; C68-I75 HydrophobicContact CB-CD1 4.03Å; C68-I75 HydrophobicContact CB-CG1 3.85Å; I75-A79 HydrophobicContact CD1-CB 4.01Å; I75-A79 HydrophobicContact CG2-CB 3.79Å; I75-V88 HydrophobicContact CD1-CB 4.19Å; I75-V88 HydrophobicContact CD1-CG1 3.57Å
76	M	75.6	Confident	80.1	Confident	164 Å²	164	70.7 Å²	70.7	81%	0.808	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-100	123.4	172.4	-57.2	-57.7	-71.2	0	0	108.4
77	G	70.7	Confident	80.2	Confident	43 Å²	43	70.4 Å²	70.4	44%	0.443	37%	0.37	S	S	.	.	S	Bend	trans	82.6	-128.8	179	0	0	0	0	0	113.3	V63	V63-G77 PolarHBondContact N-O 2.92Å
78	F	73.5	Confident	79.8	Confident	129 Å²	129	67.4 Å²	67.4	57%	0.566	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	143.3	-173.4	-60.5	-71.5	0	0	0	113	L60	L60-F78 HydrophobicContact CB-CB 3.94Å; L60-F78 HydrophobicContact CB-CD1 3.78Å; L60-F78 HydrophobicContact CB-CG 4.04Å; L60-F78 HydrophobicContact CD2-CB 3.77Å; L60-F78 HydrophobicContact CG-CB 4.36Å; L60-F78 WeakPolarHBondContact O-CD1 3.47Å
79	A	75.8	Confident	79.7	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.008	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.9	178.4	0	0	0	0	0	112.3	Q61 V63 I75 V88	Q61-A79 PolarHBondContact O-N 3.1Å; V63-A79 HydrophobicContact CG1-CB 4.34Å; V63-A79 HydrophobicContact CG2-CB 3.58Å; I75-A79 HydrophobicContact CD1-CB 4.01Å; I75-A79 HydrophobicContact CG2-CB 3.79Å; A79-V88 HydrophobicContact CB-CG1 3.49Å; A79-V88 VanDerWaalsContact CB-CG1 3.49Å
80	V	78.6	Confident	79.5	Confident	6 Å²	6	66.2 Å²	66.2	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.7	165.1	176.7	0	0	0	0	107.9	V56 V88 F89 E91 F94	V56-V80 HydrophobicContact CG1-CG1 4.47Å; V80-V88 WeakPolarHBondContact O-CA 3.43Å; V80-F89 PolarHBondContact N-O 3.5Å; V80-F89 PolarHBondContact O-N 3.4Å; V80-E91 HydrophobicContact CG2-CB 4.42Å; V80-F94 HydrophobicContact CB-CB 4.29Å; V80-F94 HydrophobicContact CB-CG 4.43Å; V80-F94 HydrophobicContact CG1-CB 4.24Å; V80-F94 HydrophobicContact CG1-CD1 3.94Å; V80-F94 HydrophobicContact CG1-CD2 4.2Å; V80-F94 HydrophobicContact CG1-CE1 4.36Å; V80-F94 HydrophobicContact CG1-CG 3.85Å; V80-F94 HydrophobicContact CG2-CB 4.35Å
81	R	76.5	Confident	79.1	Confident	95 Å²	95	69.5 Å²	69.5	36%	0.358	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127	174.3	-174.7	176.7	-66.5	-86.9	3.9	109.7	K83 V88	R81-K83 PolarHBondContact O-N 2.88Å; R81-V88 HydrophobicContact CG-CG2 4.31Å; R81-V88 VanDerWaalsContact NH1-CG2 3.35Å
82	M	75.6	Confident	78.8	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-82.6	120.2	175.7	-66.7	-167.5	-20	0	0	110.8	V56 G84 T85 K87 F89 F94 F107 I109 F114	V56-M82 HydrophobicContact CG2-CG 4.17Å; M82-G84 PolarHBondContact O-N 3.47Å; M82-T85 WeakPolarHBondContact CB-OG1 3.45Å; M82-T85 HydrophobicContact CE-CG2 3.79Å; M82-T85 VanDerWaalsContact CE-OG1 3.27Å; M82-T85 WeakPolarHBondContact CE-OG1 3.49Å; M82-T85 PolarHBondContact O-N 3.13Å; M82-T85 PolarHBondContact O-OG1 3.45Å; M82-K87 HydrophobicContact CE-CB 4.09Å; M82-K87 HydrophobicContact CE-CD 4Å; M82-K87 HydrophobicContact CE-CG 4.48Å; M82-K87 PolarHBondContact N-O 3.3Å; M82-F89 HydrophobicContact CG-CD2 4.39Å; M82-F89 HydrophobicContact CG-CE2 3.93Å; M82-F89 HydrophobicContact SD-CE2 3.82Å; M82-F89 HydrophobicContact SD-CZ 4.44Å; M82-F94 HydrophobicContact CG-CE2 4.03Å; M82-F94 HydrophobicContact CG-CZ 4.43Å; M82-F94 HydrophobicContact SD-CE2 3.8Å; M82-F94 HydrophobicContact SD-CZ 4.32Å; M82-F107 HydrophobicContact SD-CE2 4.07Å; M82-F107 HydrophobicContact SD-CZ 3.99Å; M82-I109 HydrophobicContact CE-CD1 3.91Å; M82-F114 HydrophobicContact CE-CE1 3.73Å; M82-F114 HydrophobicContact CE-CZ 4.09Å; M82-F114 HydrophobicContact SD-CD1 4.14Å; M82-F114 HydrophobicContact SD-CE1 3.34Å; M82-F114 WeakPolarHBondContact SD-CE1 3.49Å; M82-F114 HydrophobicContact SD-CZ 4.02Å
83	K	67.8	Low	78.7	Confident	125 Å²	125	67.2 Å²	67.2	54%	0.543	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.6	177.2	-165.6	177.1	-179.8	-178.1	0	111.1	L57 R81 T85	L57-K83 HydrophobicContact CD1-CD 4.34Å; R81-K83 PolarHBondContact O-N 2.88Å; K83-T85 VanDerWaalsContact C-N 3.26Å; K83-T85 PolarHBondContact O-N 2.95Å
84	G	70.6	Confident	78.6	Confident	85 Å²	85	61.4 Å²	61.4	88%	0.876	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	3.1	-179.9	0	0	0	0	0	115.1	M82	M82-G84 PolarHBondContact O-N 3.47Å
85	T	75.3	Confident	78.8	Confident	43 Å²	43	59.8 Å²	59.8	26%	0.264	32%	0.318	S	S	.	.	S	Bend	trans	-132.5	163.2	174.7	77.7	0	0	0	0	111	Y54 M82 K83 K87	Y54-T85 HydrophobicContact CE1-CG2 4.34Å; M82-T85 WeakPolarHBondContact CB-OG1 3.45Å; M82-T85 HydrophobicContact CE-CG2 3.79Å; M82-T85 VanDerWaalsContact CE-OG1 3.27Å; M82-T85 WeakPolarHBondContact CE-OG1 3.49Å; M82-T85 PolarHBondContact O-N 3.13Å; M82-T85 PolarHBondContact O-OG1 3.45Å; K83-T85 VanDerWaalsContact C-N 3.26Å; K83-T85 PolarHBondContact O-N 2.95Å; T85-K87 VanDerWaalsContact C-N 3.26Å; T85-K87 PolarHBondContact OG1-N 3.11Å
86	S	77.5	Confident	79.4	Confident	108 Å²	108	59.6 Å²	59.6	76%	0.755	32%	0.317	S	S	*	.	S	Bend	trans	-83.2	2.7	171.8	55	0	0	0	0	113.7
87	K	82.8	Confident	79.9	Confident	37 Å²	37	56.2 Å²	56.2	16%	0.161	30%	0.299	C	S	.	.			trans	-82.9	128.6	-173.1	-57.8	-178.6	-172.7	-89.8	0	110.9	Q69 M82 T85 F89 D112 F114	Q69-K87 HydrophobicContact CB-CB 4.36Å; Q69-K87 HydrophobicContact CG-CB 4.15Å; Q69-K87 HydrophobicContact CG-CD 4.13Å; Q69-K87 HydrophobicContact CG-CG 4.05Å; M82-K87 HydrophobicContact CE-CB 4.09Å; M82-K87 HydrophobicContact CE-CD 4Å; M82-K87 HydrophobicContact CE-CG 4.48Å; M82-K87 PolarHBondContact N-O 3.3Å; T85-K87 VanDerWaalsContact C-N 3.26Å; T85-K87 PolarHBondContact OG1-N 3.11Å; K87-F89 HydrophobicContact CB-CE2 3.7Å; K87-F89 HydrophobicContact CB-CZ 3.93Å; K87-F89 HydrophobicContact CD-CZ 4.45Å; K87-D112 IonicContact NZ-OD1 2.74Å; K87-D112 PolarHBondContact NZ-OD1 2.93Å; K87-F114 HydrophobicContact CD-CZ 3.82Å
88	V	80.6	Confident	80.5	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.1	-179.1	-168.6	0	0	0	0	109	V66 C68 Q69 I75 A79 V80 R81	V66-V88 HydrophobicContact CG1-CB 3.84Å; V66-V88 HydrophobicContact CG1-CG1 4.33Å; V66-V88 HydrophobicContact CG1-CG2 3.89Å; C68-V88 WeakPolarHBondContact CA-O 3.33Å; Q69-V88 WeakPolarHBondContact CB-O 3.49Å; Q69-V88 PolarHBondContact N-O 3.01Å; I75-V88 HydrophobicContact CD1-CB 4.19Å; I75-V88 HydrophobicContact CD1-CG1 3.57Å; A79-V88 HydrophobicContact CB-CG1 3.49Å; A79-V88 VanDerWaalsContact CB-CG1 3.49Å; V80-V88 WeakPolarHBondContact O-CA 3.43Å; R81-V88 HydrophobicContact CG-CG2 4.31Å; R81-V88 VanDerWaalsContact NH1-CG2 3.35Å
89	F	85.3	Confident	81.2	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.5	-174.9	-56.4	-94.5	0	0	0	110.6	Q69 R70 V80 M82 K87 F94 F114	Q69-F89 HydrophobicContact CB-CD1 4.09Å; Q69-F89 HydrophobicContact CB-CE1 3.59Å; Q69-F89 HydrophobicContact CB-CE2 4.44Å; Q69-F89 HydrophobicContact CB-CZ 3.77Å; Q69-F89 HydrophobicContact CG-CE1 3.98Å; Q69-F89 HydrophobicContact CG-CZ 3.94Å; R70-F89 HydrophobicContact CB-CD1 4.04Å; R70-F89 HydrophobicContact CB-CE1 4.32Å; V80-F89 PolarHBondContact N-O 3.5Å; V80-F89 PolarHBondContact O-N 3.4Å; M82-F89 HydrophobicContact CG-CD2 4.39Å; M82-F89 HydrophobicContact CG-CE2 3.93Å; M82-F89 HydrophobicContact SD-CE2 3.82Å; M82-F89 HydrophobicContact SD-CZ 4.44Å; K87-F89 HydrophobicContact CB-CE2 3.7Å; K87-F89 HydrophobicContact CB-CZ 3.93Å; K87-F89 HydrophobicContact CD-CZ 4.45Å; F89-F94 HydrophobicContact CB-CB 4.17Å; F89-F94 HydrophobicContact CB-CD2 4.34Å; F89-F94 HydrophobicContact CD1-CD2 4.46Å; F89-F94 AromaticContact CD2-CD2 3.75Å; F89-F94 HydrophobicContact CD2-CD2 3.75Å; F89-F94 HydrophobicContact CD2-CE2 4.24Å; F89-F94 HydrophobicContact CE2-CD2 4.17Å; F89-F94 HydrophobicContact CE2-CE2 4.27Å; F89-F94 AromaticContact CG-CD2 3.93Å; F89-F94 HydrophobicContact CG-CD2 3.93Å; F89-F114 HydrophobicContact CE1-CD2 4.31Å; F89-F114 AromaticContact CE1-CE2 3.84Å; F89-F114 HydrophobicContact CE1-CE2 3.84Å; F89-F114 HydrophobicContact CE1-CZ 4.27Å; F89-F114 HydrophobicContact CE2-CZ 4.25Å; F89-F114 HydrophobicContact CZ-CD2 4.27Å; F89-F114 HydrophobicContact CZ-CE1 4.18Å; F89-F114 AromaticContact CZ-CE2 3.5Å; F89-F114 HydrophobicContact CZ-CE2 3.5Å; F89-F114 AromaticContact CZ-CZ 3.47Å; F89-F114 HydrophobicContact CZ-CZ 3.47Å; F89-F114 VanDerWaalsContact CZ-CZ 3.47Å
90	H	84.1	Confident	81.9	Confident	31 Å²	31	62 Å²	62	14%	0.144	32%	0.323	C	S	.	.			trans	-57.4	145.9	156.4	-55.9	105.4	0	0	0	108.6	C68 C71 H74 K92 C93 F94	C68-H90 WeakPolarHBondContact CB-CE1 3.09Å; C68-H90 WeakPolarHBondContact CB-ND1 3.12Å; C68-H90 PolarHBondContact SG-N 2.68Å; C68-H90 VanDerWaalsContact SG-N 3.4Å; C68-H90 PolarHBondContact SG-ND1 3.35Å; C71-H90 PolarHBondContact SG-CE1 2.72Å; C71-H90 PolarHBondContact SG-ND1 3.05Å; H74-H90 PolarHBondContact O-NE2 2.82Å; H90-K92 VanDerWaalsContact C-N 3.28Å; H90-K92 HydrophobicContact CB-CG 4.08Å; H90-K92 PolarHBondContact O-N 3.07Å; H90-C93 HydrophobicContact CB-CB 3.91Å; H90-C93 WeakPolarHBondContact O-CA 3.17Å; H90-C93 WeakPolarHBondContact O-CB 3.37Å; H90-C93 PolarHBondContact O-N 3.27Å; H90-F94 PolarHBondContact O-N 2.79Å; H90-F94 VanDerWaalsContact O-N 3.14Å
91	E	79.6	Confident	82.4	Confident	132 Å²	132	66.5 Å²	66.5	62%	0.617	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-48.4	-51.6	174	-174.1	-172.6	168.1	0	0	111.5	V80 C93 F94	V80-E91 HydrophobicContact CG2-CB 4.42Å; E91-C93 PolarHBondContact O-N 2.68Å; E91-F94 PolarHBondContact O-N 3.4Å; E91-F94 VanDerWaalsContact O-N 3.17Å
92	K	82.4	Confident	82.8	Confident	160 Å²	160	67.1 Å²	67.1	70%	0.696	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.2	-28.9	176.8	69.1	-177.8	-179.9	-176.6	0	114	H90 R95	H90-K92 VanDerWaalsContact C-N 3.28Å; H90-K92 HydrophobicContact CB-CG 4.08Å; H90-K92 PolarHBondContact O-N 3.07Å; K92-R95 WeakPolarHBondContact O-CD 3.5Å; K92-R95 PolarHBondContact O-NH1 3.07Å
93	C	88.6	Confident	83.2	Confident	7 Å²	7	67.3 Å²	67.3	5%	0.047	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-82	-16.1	-177.8	-76.2	0	0	0	0	112.6	C68 R70 H90 E91 R95	C68-C93 VanDerWaalsContact SG-CB 3.53Å; R70-C93 HydrophobicContact CB-CB 4.09Å; R70-C93 WeakPolarHBondContact CD-O 3.34Å; R70-C93 HydrophobicContact CG-CB 4.5Å; R70-C93 PolarHBondContact NH1-O 2.82Å; H90-C93 HydrophobicContact CB-CB 3.91Å; H90-C93 WeakPolarHBondContact O-CA 3.17Å; H90-C93 WeakPolarHBondContact O-CB 3.37Å; H90-C93 PolarHBondContact O-N 3.27Å; E91-C93 PolarHBondContact O-N 2.68Å; C93-R95 PolarHBondContact O-N 3Å
94	F	88.2	Confident	83.5	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.026	35%	0.349	C	S	.	.			trans	-81.3	67.7	176.9	-163.2	-110.9	0	0	0	111.8	V56 V80 M82 F89 H90 E91 L103 F107 F114	V56-F94 HydrophobicContact CG1-CE1 4.14Å; V56-F94 HydrophobicContact CG1-CZ 4.38Å; V56-F94 HydrophobicContact CG2-CZ 4.12Å; V80-F94 HydrophobicContact CB-CB 4.29Å; V80-F94 HydrophobicContact CB-CG 4.43Å; V80-F94 HydrophobicContact CG1-CB 4.24Å; V80-F94 HydrophobicContact CG1-CD1 3.94Å; V80-F94 HydrophobicContact CG1-CD2 4.2Å; V80-F94 HydrophobicContact CG1-CE1 4.36Å; V80-F94 HydrophobicContact CG1-CG 3.85Å; V80-F94 HydrophobicContact CG2-CB 4.35Å; M82-F94 HydrophobicContact CG-CE2 4.03Å; M82-F94 HydrophobicContact CG-CZ 4.43Å; M82-F94 HydrophobicContact SD-CE2 3.8Å; M82-F94 HydrophobicContact SD-CZ 4.32Å; F89-F94 HydrophobicContact CB-CB 4.17Å; F89-F94 HydrophobicContact CB-CD2 4.34Å; F89-F94 HydrophobicContact CD1-CD2 4.46Å; F89-F94 AromaticContact CD2-CD2 3.75Å; F89-F94 HydrophobicContact CD2-CD2 3.75Å; F89-F94 HydrophobicContact CD2-CE2 4.24Å; F89-F94 HydrophobicContact CE2-CD2 4.17Å; F89-F94 HydrophobicContact CE2-CE2 4.27Å; F89-F94 AromaticContact CG-CD2 3.93Å; F89-F94 HydrophobicContact CG-CD2 3.93Å; H90-F94 PolarHBondContact O-N 2.79Å; H90-F94 VanDerWaalsContact O-N 3.14Å; E91-F94 PolarHBondContact O-N 3.4Å; E91-F94 VanDerWaalsContact O-N 3.17Å; F94-L103 HydrophobicContact CD1-CB 3.76Å; F94-L103 HydrophobicContact CE1-CB 3.5Å; F94-L103 HydrophobicContact CE1-CD1 4.39Å; F94-L103 HydrophobicContact CE2-CD1 4.29Å; F94-L103 HydrophobicContact CZ-CB 4.07Å; F94-L103 HydrophobicContact CZ-CD1 4.21Å; F94-L103 PolarHBondContact O-N 2.97Å; F94-F107 HydrophobicContact CZ-CD1 4.3Å; F94-F107 HydrophobicContact CZ-CD2 4.48Å; F94-F107 HydrophobicContact CZ-CE1 4.11Å; F94-F107 HydrophobicContact CZ-CE2 4.23Å; F94-F107 HydrophobicContact CZ-CZ 4.03Å; F94-F114 HydrophobicContact CE2-CD1 4.4Å
95	R	89	Confident	83.4	Confident	72 Å²	72	67.5 Å²	67.5	27%	0.272	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-131.9	157	-175.3	63.1	-178.7	-174.9	-98.9	3.2	112.6	R70 K92 C93 Q97 E100 R101	R70-R95 VanDerWaalsContact CZ-CG 3.47Å; R70-R95 PolarHBondContact NH1-O 3.39Å; K92-R95 WeakPolarHBondContact O-CD 3.5Å; K92-R95 PolarHBondContact O-NH1 3.07Å; C93-R95 PolarHBondContact O-N 3Å; R95-Q97 PolarHBondContact O-N 2.86Å; R95-E100 VanDerWaalsContact CB-O 3.31Å; R95-E100 WeakPolarHBondContact CB-O 3.35Å; R95-E100 WeakPolarHBondContact CD-O 3.43Å; R95-R101 CarbonylContact C-O 3.5Å; R95-R101 VanDerWaalsContact CA-O 3.31Å; R95-R101 WeakPolarHBondContact CA-O 3.08Å; R95-R101 WeakPolarHBondContact CB-O 3.4Å
96	C	88.3	Confident	83.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.339	C	S	.	.			trans	-58.5	134.5	179.4	-178.2	0	0	0	0	110.7	Q98 C99 E100 R101 L103 C116 C119	C96-Q98 PolarHBondContact O-N 2.8Å; C96-Q98 PolarHBondContact SG-N 3.21Å; C96-C99 VanDerWaalsContact SG-SG 3.68Å; C96-E100 WeakPolarHBondContact O-CA 3.42Å; C96-E100 PolarHBondContact O-N 3.46Å; C96-R101 HydrophobicContact CB-CG 4.26Å; C96-R101 PolarHBondContact N-O 2.8Å; C96-L103 HydrophobicContact CB-CD2 3.85Å; C96-C116 HydrophobicContact CB-CB 4.1Å; C96-C116 PolarHBondContact SG-N 3.03Å; C96-C116 VanDerWaalsContact SG-N 3.37Å; C96-C116 VanDerWaalsContact SG-SG 3.68Å; C96-C119 VanDerWaalsContact SG-SG 3.69Å
97	Q	87.3	Confident	83	Confident	93 Å²	93	63.2 Å²	63.2	44%	0.435	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.4	178	-173.4	64.2	25.3	0	0	112.6	R95 F114 F115	R95-Q97 PolarHBondContact O-N 2.86Å; Q97-F114 PolarHBondContact N-O 2.89Å; Q97-F115 HydrophobicContact CB-CD1 4.24Å; Q97-F115 HydrophobicContact CB-CE1 3.73Å; Q97-F115 HydrophobicContact CB-CZ 4.16Å; Q97-F115 HydrophobicContact CG-CE1 4.33Å
98	Q	84	Confident	82.5	Confident	110 Å²	110	61.7 Å²	61.7	51%	0.514	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-40.9	-173.9	-176.7	61.5	51.3	0	0	113.8	C96 F115 C119	C96-Q98 PolarHBondContact O-N 2.8Å; C96-Q98 PolarHBondContact SG-N 3.21Å; Q98-F115 HydrophobicContact CB-CD1 4.13Å; Q98-F115 HydrophobicContact CB-CE1 4.21Å; Q98-C119 HydrophobicContact CB-CB 3.85Å; Q98-C119 HydrophobicContact CG-CB 4.24Å
99	C	87	Confident	82.2	Confident	59 Å²	59	63 Å²	63	40%	0.399	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	4.1	-174.5	74.7	0	0	0	0	113.1	C96 R101	C96-C99 VanDerWaalsContact SG-SG 3.68Å; C99-R101 PolarHBondContact O-N 2.98Å; C99-R101 VanDerWaalsContact SG-CG 3.5Å
100	E	91	Very high	81.4	Confident	126 Å²	126	65.5 Å²	65.5	59%	0.589	32%	0.317	S	S	*	.			trans	58.1	4.1	175.8	-54	-164.7	-179	0	0	117.1	R95 C96	R95-E100 VanDerWaalsContact CB-O 3.31Å; R95-E100 WeakPolarHBondContact CB-O 3.35Å; R95-E100 WeakPolarHBondContact CD-O 3.43Å; C96-E100 WeakPolarHBondContact O-CA 3.42Å; C96-E100 PolarHBondContact O-N 3.46Å
101	R	89.6	Confident	80.8	Confident	99 Å²	99	70.6 Å²	70.6	37%	0.374	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-65.6	143.5	174	83.1	-176.7	-170.7	-170.3	-0.9	110.9	R95 C96 C99 L103 C116 D118	R95-R101 CarbonylContact C-O 3.5Å; R95-R101 VanDerWaalsContact CA-O 3.31Å; R95-R101 WeakPolarHBondContact CA-O 3.08Å; R95-R101 WeakPolarHBondContact CB-O 3.4Å; C96-R101 HydrophobicContact CB-CG 4.26Å; C96-R101 PolarHBondContact N-O 2.8Å; C99-R101 PolarHBondContact O-N 2.98Å; C99-R101 VanDerWaalsContact SG-CG 3.5Å; R101-L103 PolarHBondContact O-N 2.85Å; R101-C116 HydrophobicContact CG-CB 4.36Å; R101-C116 PolarHBondContact NE-SG 3.28Å; R101-C116 VanDerWaalsContact NH2-CB 3.31Å; R101-C116 PolarHBondContact NH2-SG 3.13Å; R101-C116 VanDerWaalsContact NH2-SG 3.36Å; R101-D118 IonicContact CZ-OD2 3.32Å; R101-D118 IonicContact NH1-OD2 2.74Å; R101-D118 PolarHBondContact NH1-OD2 3.33Å; R101-D118 IonicContact NH2-OD2 2.99Å; R101-D118 PolarHBondContact NH2-OD2 2.8Å
102	P	84.9	Confident	80.5	Confident	109 Å²	109	69.7 Å²	69.7	71%	0.708	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-51.2	138.5	171.7	-26	34.8	0	0	0	111.6
103	L	83	Confident	80.4	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-86.6	134	178.4	-66.3	171.7	0	0	0	109.4	M58 F94 C96 R101 F107 F114 C116	M58-L103 WeakPolarHBondContact CE-O 3.3Å; F94-L103 HydrophobicContact CD1-CB 3.76Å; F94-L103 HydrophobicContact CE1-CB 3.5Å; F94-L103 HydrophobicContact CE1-CD1 4.39Å; F94-L103 HydrophobicContact CE2-CD1 4.29Å; F94-L103 HydrophobicContact CZ-CB 4.07Å; F94-L103 HydrophobicContact CZ-CD1 4.21Å; F94-L103 PolarHBondContact O-N 2.97Å; C96-L103 HydrophobicContact CB-CD2 3.85Å; R101-L103 PolarHBondContact O-N 2.85Å; L103-F107 HydrophobicContact CB-CB 4.28Å; L103-F107 HydrophobicContact CD1-CB 4.36Å; L103-F107 HydrophobicContact CD2-CB 3.9Å; L103-F107 HydrophobicContact CG-CB 4.39Å; L103-F114 HydrophobicContact CD1-CB 3.46Å; L103-F114 VanDerWaalsContact CD1-CB 3.46Å; L103-F114 HydrophobicContact CD1-CG 4.38Å; L103-C116 HydrophobicContact CD2-CB 3.8Å
104	D	74.1	Confident	80	Confident	72 Å²	72	67.4 Å²	67.4	39%	0.385	33%	0.327	S	S	.	.			trans	-94.8	-168	171.7	73.7	-21.3	0	0	0	110.4	N106 F107	D104-N106 PolarHBondContact O-N 3.14Å; D104-N106 WeakPolarHBondContact OD1-CA 3.43Å; D104-N106 WeakPolarHBondContact OD1-CB 3.36Å; D104-N106 PolarHBondContact OD1-N 2.87Å; D104-N106 PolarHBondContact OD2-ND2 2.95Å; D104-F107 VanDerWaalsContact O-CD1 3.24Å; D104-F107 WeakPolarHBondContact O-CD1 3.13Å
105	K	69.5	Low	79.5	Confident	141 Å²	141	67.2 Å²	67.2	61%	0.613	33%	0.326	S	S	*	.	S	Bend	trans	-59.3	-12.8	172	65.4	-174	177.5	-174.6	0	114.6
106	N	68	Low	79	Confident	60 Å²	60	63.8 Å²	63.8	32%	0.321	31%	0.313	S	S	.	.			trans	-111.6	70.9	-176.7	-54.1	-67.8	0	0	0	111	D104 T117	D104-N106 PolarHBondContact O-N 3.14Å; D104-N106 WeakPolarHBondContact OD1-CA 3.43Å; D104-N106 WeakPolarHBondContact OD1-CB 3.36Å; D104-N106 PolarHBondContact OD1-N 2.87Å; D104-N106 PolarHBondContact OD2-ND2 2.95Å; N106-T117 PolarHBondContact O-N 3.28Å; N106-T117 PolarHBondContact O-OG1 2.8Å
107	F	75.6	Confident	78.1	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	168.9	174.6	72.2	-73.4	0	0	0	110.7	Y54 V56 M82 F94 L103 D104 I109 F114 F115	Y54-F107 HydrophobicContact CD2-CE2 4.38Å; Y54-F107 HydrophobicContact CD2-CZ 4.25Å; Y54-F107 HydrophobicContact CG-CZ 4.23Å; V56-F107 HydrophobicContact CB-CE1 3.95Å; V56-F107 HydrophobicContact CG2-CD1 4.29Å; V56-F107 HydrophobicContact CG2-CE1 3.16Å; V56-F107 HydrophobicContact CG2-CZ 3.42Å; V56-F107 VanDerWaalsContact CG2-CZ 3.42Å; M82-F107 HydrophobicContact SD-CE2 4.07Å; M82-F107 HydrophobicContact SD-CZ 3.99Å; F94-F107 HydrophobicContact CZ-CD1 4.3Å; F94-F107 HydrophobicContact CZ-CD2 4.48Å; F94-F107 HydrophobicContact CZ-CE1 4.11Å; F94-F107 HydrophobicContact CZ-CE2 4.23Å; F94-F107 HydrophobicContact CZ-CZ 4.03Å; L103-F107 HydrophobicContact CB-CB 4.28Å; L103-F107 HydrophobicContact CD1-CB 4.36Å; L103-F107 HydrophobicContact CD2-CB 3.9Å; L103-F107 HydrophobicContact CG-CB 4.39Å; D104-F107 VanDerWaalsContact O-CD1 3.24Å; D104-F107 WeakPolarHBondContact O-CD1 3.13Å; F107-I109 HydrophobicContact CD2-CG1 4.16Å; F107-I109 HydrophobicContact CE2-CD1 4Å; F107-I109 HydrophobicContact CE2-CG1 3.69Å; F107-F114 AromaticContact CD2-CD1 3.87Å; F107-F114 HydrophobicContact CD2-CD1 3.87Å; F107-F114 AromaticContact CE2-CD1 3.66Å; F107-F114 HydrophobicContact CE2-CD1 3.66Å; F107-F114 HydrophobicContact CE2-CE1 4.04Å; F107-F115 CarbonylContact C-O 3.56Å; F107-F115 WeakPolarHBondContact CA-O 3.34Å; F107-F115 WeakPolarHBondContact CB-O 3.26Å
108	Q	72.1	Confident	77.4	Confident	5 Å²	5	61.4 Å²	61.4	2%	0.023	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.3	179.9	-60.8	-63.5	-53.6	0	0	108.9	F52 F115 F120	F52-Q108 PolarHBondContact O-NE2 3.03Å; F52-Q108 PolarHBondContact O-OE1 3.33Å; Q108-F115 PolarHBondContact N-O 3.37Å; Q108-F115 PolarHBondContact O-N 2.69Å; Q108-F120 HydrophobicContact CB-CB 3.81Å; Q108-F120 HydrophobicContact CB-CD1 3.84Å; Q108-F120 HydrophobicContact CB-CD2 3.33Å; Q108-F120 HydrophobicContact CB-CE1 4.18Å; Q108-F120 HydrophobicContact CB-CE2 3.73Å; Q108-F120 HydrophobicContact CB-CG 3.37Å; Q108-F120 HydrophobicContact CB-CZ 4.13Å; Q108-F120 HydrophobicContact CG-CB 3.94Å; Q108-F120 HydrophobicContact CG-CD1 3.58Å; Q108-F120 HydrophobicContact CG-CD2 4.07Å; Q108-F120 HydrophobicContact CG-CE1 4.01Å; Q108-F120 HydrophobicContact CG-CE2 4.45Å; Q108-F120 HydrophobicContact CG-CG 3.6Å; Q108-F120 HydrophobicContact CG-CZ 4.42Å
109	I	74.3	Confident	76.9	Confident	32 Å²	32	56.9 Å²	56.9	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.2	176	-50.1	-179.7	0	0	0	107.6	Y54 M82 F107 R113 F114	Y54-I109 HydrophobicContact CD2-CD1 3.77Å; Y54-I109 HydrophobicContact CD2-CG1 4.09Å; Y54-I109 HydrophobicContact CE2-CB 4.38Å; Y54-I109 HydrophobicContact CE2-CD1 3.38Å; Y54-I109 HydrophobicContact CE2-CG1 3.79Å; Y54-I109 HydrophobicContact CG-CD1 4.5Å; M82-I109 HydrophobicContact CE-CD1 3.91Å; F107-I109 HydrophobicContact CD2-CG1 4.16Å; F107-I109 HydrophobicContact CE2-CD1 4Å; F107-I109 HydrophobicContact CE2-CG1 3.69Å; I109-R113 CarbonylContact C-O 3.6Å; I109-R113 WeakPolarHBondContact CA-O 3.02Å; I109-F114 HydrophobicContact CD1-CD1 4.14Å; I109-F114 HydrophobicContact CD1-CE1 3.49Å; I109-F114 VanDerWaalsContact CD1-CE1 3.49Å; I109-F114 HydrophobicContact CD1-CZ 4.27Å; I109-F114 HydrophobicContact CG1-CD1 3.78Å; I109-F114 HydrophobicContact CG1-CE1 3.64Å; I109-F114 HydrophobicContact CG2-CE1 4.34Å
110	N	68.3	Low	76.2	Confident	56 Å²	56	54.4 Å²	54.4	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.2	173.5	-167.3	10	0	0	0	109.2	D112 R113 F115 F120	N110-D112 VanDerWaalsContact C-N 3.3Å; N110-D112 PolarHBondContact O-N 2.56Å; N110-R113 PolarHBondContact N-O 2.89Å; N110-R113 WeakPolarHBondContact O-CA 3.5Å; N110-R113 WeakPolarHBondContact O-CB 3.37Å; N110-R113 PolarHBondContact O-N 3.08Å; N110-F115 HydrophobicContact CB-CD2 4.13Å; N110-F115 HydrophobicContact CB-CE2 3.97Å; N110-F120 HydrophobicContact CB-CD2 4.41Å; N110-F120 HydrophobicContact CB-CE2 3.98Å
111	E	72.6	Confident	74.9	Confident	137 Å²	137	50.5 Å²	50.5	64%	0.64	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	50.8	-179.3	-59.3	171.1	170.6	0	0	112.2	R113	E111-R113 PolarHBondContact O-N 2.8Å; E111-R113 IonicContact OE2-CZ 3.78Å; E111-R113 IonicContact OE2-NH2 2.7Å; E111-R113 PolarHBondContact OE2-NH2 2.92Å
112	D	72.9	Confident	73.7	Confident	113 Å²	113	49.2 Å²	49.2	60%	0.604	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	9	-175.9	-73.5	-59	0	0	0	116.4	K87 N110 F114	K87-D112 IonicContact NZ-OD1 2.74Å; K87-D112 PolarHBondContact NZ-OD1 2.93Å; N110-D112 VanDerWaalsContact C-N 3.3Å; N110-D112 PolarHBondContact O-N 2.56Å; D112-F114 WeakPolarHBondContact O-CE2 3.33Å
113	R	79.5	Confident	72.7	Confident	100 Å²	100	48.4 Å²	48.4	38%	0.377	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.1	175.9	-65.1	-179.4	-81.8	-169.7	-5.4	111.1	I109 N110 E111 F115	I109-R113 CarbonylContact C-O 3.6Å; I109-R113 WeakPolarHBondContact CA-O 3.02Å; N110-R113 PolarHBondContact N-O 2.89Å; N110-R113 WeakPolarHBondContact O-CA 3.5Å; N110-R113 WeakPolarHBondContact O-CB 3.37Å; N110-R113 PolarHBondContact O-N 3.08Å; E111-R113 PolarHBondContact O-N 2.8Å; E111-R113 IonicContact OE2-CZ 3.78Å; E111-R113 IonicContact OE2-NH2 2.7Å; E111-R113 PolarHBondContact OE2-NH2 2.92Å; R113-F115 HydrophobicContact CB-CD2 4.48Å; R113-F115 HydrophobicContact CB-CE2 3.51Å; R113-F115 HydrophobicContact CB-CZ 3.71Å; R113-F115 WeakPolarHBondContact O-CD2 3.5Å
114	F	81.5	Confident	71.7	Confident	20 Å²	20	50 Å²	50	9%	0.088	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.6	-173	-59.5	-92.2	0	0	0	111.2	M82 K87 F89 F94 Q97 L103 F107 I109 D112	M82-F114 HydrophobicContact CE-CE1 3.73Å; M82-F114 HydrophobicContact CE-CZ 4.09Å; M82-F114 HydrophobicContact SD-CD1 4.14Å; M82-F114 HydrophobicContact SD-CE1 3.34Å; M82-F114 WeakPolarHBondContact SD-CE1 3.49Å; M82-F114 HydrophobicContact SD-CZ 4.02Å; K87-F114 HydrophobicContact CD-CZ 3.82Å; F89-F114 HydrophobicContact CE1-CD2 4.31Å; F89-F114 AromaticContact CE1-CE2 3.84Å; F89-F114 HydrophobicContact CE1-CE2 3.84Å; F89-F114 HydrophobicContact CE1-CZ 4.27Å; F89-F114 HydrophobicContact CE2-CZ 4.25Å; F89-F114 HydrophobicContact CZ-CD2 4.27Å; F89-F114 HydrophobicContact CZ-CE1 4.18Å; F89-F114 AromaticContact CZ-CE2 3.5Å; F89-F114 HydrophobicContact CZ-CE2 3.5Å; F89-F114 AromaticContact CZ-CZ 3.47Å; F89-F114 HydrophobicContact CZ-CZ 3.47Å; F89-F114 VanDerWaalsContact CZ-CZ 3.47Å; F94-F114 HydrophobicContact CE2-CD1 4.4Å; Q97-F114 PolarHBondContact N-O 2.89Å; L103-F114 HydrophobicContact CD1-CB 3.46Å; L103-F114 VanDerWaalsContact CD1-CB 3.46Å; L103-F114 HydrophobicContact CD1-CG 4.38Å; F107-F114 AromaticContact CD2-CD1 3.87Å; F107-F114 HydrophobicContact CD2-CD1 3.87Å; F107-F114 AromaticContact CE2-CD1 3.66Å; F107-F114 HydrophobicContact CE2-CD1 3.66Å; F107-F114 HydrophobicContact CE2-CE1 4.04Å; I109-F114 HydrophobicContact CD1-CD1 4.14Å; I109-F114 HydrophobicContact CD1-CE1 3.49Å; I109-F114 VanDerWaalsContact CD1-CE1 3.49Å; I109-F114 HydrophobicContact CD1-CZ 4.27Å; I109-F114 HydrophobicContact CG1-CD1 3.78Å; I109-F114 HydrophobicContact CG1-CE1 3.64Å; I109-F114 HydrophobicContact CG2-CE1 4.34Å; D112-F114 WeakPolarHBondContact O-CE2 3.33Å
115	F	77.3	Confident	71.5	Confident	1 Å²	1	48 Å²	48	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138	-177.3	-60.9	-78.5	0	0	0	110.4	Q97 Q98 F107 Q108 N110 R113 C119 F120	Q97-F115 HydrophobicContact CB-CD1 4.24Å; Q97-F115 HydrophobicContact CB-CE1 3.73Å; Q97-F115 HydrophobicContact CB-CZ 4.16Å; Q97-F115 HydrophobicContact CG-CE1 4.33Å; Q98-F115 HydrophobicContact CB-CD1 4.13Å; Q98-F115 HydrophobicContact CB-CE1 4.21Å; F107-F115 CarbonylContact C-O 3.56Å; F107-F115 WeakPolarHBondContact CA-O 3.34Å; F107-F115 WeakPolarHBondContact CB-O 3.26Å; Q108-F115 PolarHBondContact N-O 3.37Å; Q108-F115 PolarHBondContact O-N 2.69Å; N110-F115 HydrophobicContact CB-CD2 4.13Å; N110-F115 HydrophobicContact CB-CE2 3.97Å; R113-F115 HydrophobicContact CB-CD2 4.48Å; R113-F115 HydrophobicContact CB-CE2 3.51Å; R113-F115 HydrophobicContact CB-CZ 3.71Å; R113-F115 WeakPolarHBondContact O-CD2 3.5Å; F115-C119 HydrophobicContact CB-CB 4.48Å; F115-C119 HydrophobicContact CD1-CB 4.41Å; F115-F120 HydrophobicContact CB-CB 3.89Å; F115-F120 HydrophobicContact CB-CD2 4.45Å; F115-F120 HydrophobicContact CD2-CD2 4.48Å
116	C	78.7	Confident	71.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	156.1	167.1	72	0	0	0	0	109.6	C96 R101 L103 D118 C119 F120	C96-C116 HydrophobicContact CB-CB 4.1Å; C96-C116 PolarHBondContact SG-N 3.03Å; C96-C116 VanDerWaalsContact SG-N 3.37Å; C96-C116 VanDerWaalsContact SG-SG 3.68Å; R101-C116 HydrophobicContact CG-CB 4.36Å; R101-C116 PolarHBondContact NE-SG 3.28Å; R101-C116 VanDerWaalsContact NH2-CB 3.31Å; R101-C116 PolarHBondContact NH2-SG 3.13Å; R101-C116 VanDerWaalsContact NH2-SG 3.36Å; L103-C116 HydrophobicContact CD2-CB 3.8Å; C116-D118 PolarHBondContact O-N 3Å; C116-D118 VanDerWaalsContact O-N 3.08Å; C116-C119 PolarHBondContact O-N 2.81Å; C116-C119 VanDerWaalsContact O-N 3.07Å; C116-C119 PolarHBondContact SG-N 3.36Å; C116-C119 VanDerWaalsContact SG-N 3.39Å; C116-C119 PolarHBondContact SG-SG 2.79Å; C116-F120 PolarHBondContact O-N 2.93Å
117	T	70.2	Confident	72	Confident	30 Å²	30	44.3 Å²	44.3	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-49.3	-40.6	-178.7	-66.6	0	0	0	0	112.8	N106 I121 P210	N106-T117 PolarHBondContact O-N 3.28Å; N106-T117 PolarHBondContact O-OG1 2.8Å; T117-I121 HydrophobicContact CG2-CD1 3.76Å; T117-I121 WeakPolarHBondContact O-CB 3.47Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å; T117-I121 PolarHBondContact O-N 3.19Å; T117-I121 VanDerWaalsContact O-N 3.07Å; T117-P210 HydrophobicContact CG2-CG 4.26Å
118	D	70.8	Confident	72.5	Confident	14 Å²	14	44.3 Å²	44.3	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-50.9	179.4	-65.3	-34.7	0	0	0	112.1	R101 C116 F120 I121 N122 R205	R101-D118 IonicContact CZ-OD2 3.32Å; R101-D118 IonicContact NH1-OD2 2.74Å; R101-D118 PolarHBondContact NH1-OD2 3.33Å; R101-D118 IonicContact NH2-OD2 2.99Å; R101-D118 PolarHBondContact NH2-OD2 2.8Å; C116-D118 PolarHBondContact O-N 3Å; C116-D118 VanDerWaalsContact O-N 3.08Å; D118-F120 VanDerWaalsContact C-N 3.34Å; D118-F120 PolarHBondContact O-N 3.16Å; D118-I121 PolarHBondContact O-N 2.88Å; D118-N122 WeakPolarHBondContact O-CB 3.5Å; D118-N122 PolarHBondContact O-N 2.91Å; D118-N122 PolarHBondContact O-ND2 3.35Å; D118-N122 PolarHBondContact O-OD1 3.27Å; D118-R205 IonicContact OD1-CZ 3.22Å; D118-R205 VanDerWaalsContact OD1-CZ 3.22Å; D118-R205 IonicContact OD1-NE 3.74Å; D118-R205 IonicContact OD1-NH1 3.62Å; D118-R205 IonicContact OD1-NH2 3.02Å; D118-R205 PolarHBondContact OD1-NH2 3.34Å; D118-R205 IonicContact OD2-CZ 3.63Å; D118-R205 IonicContact OD2-NH1 3.42Å; D118-R205 PolarHBondContact OD2-NH1 2.83Å; D118-R205 IonicContact OD2-NH2 3.25Å; D118-R205 PolarHBondContact OD2-NH2 3.06Å
119	C	75.2	Confident	73.2	Confident	14 Å²	14	46.8 Å²	46.8	10%	0.095	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-33.8	-179.5	-71	0	0	0	0	112.5	C96 Q98 F115 C116 R123	C96-C119 VanDerWaalsContact SG-SG 3.69Å; Q98-C119 HydrophobicContact CB-CB 3.85Å; Q98-C119 HydrophobicContact CG-CB 4.24Å; F115-C119 HydrophobicContact CB-CB 4.48Å; F115-C119 HydrophobicContact CD1-CB 4.41Å; C116-C119 PolarHBondContact O-N 2.81Å; C116-C119 VanDerWaalsContact O-N 3.07Å; C116-C119 PolarHBondContact SG-N 3.36Å; C116-C119 VanDerWaalsContact SG-N 3.39Å; C116-C119 PolarHBondContact SG-SG 2.79Å; C119-R123 WeakPolarHBondContact O-CB 3.43Å; C119-R123 WeakPolarHBondContact O-CG 3.31Å; C119-R123 PolarHBondContact O-N 2.77Å
120	F	71.2	Confident	74	Confident	7 Å²	7	51 Å²	51	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-47.7	176.1	-177	-98.1	0	0	0	111.3	C49 Q108 N110 F115 C116 D118 N122 R123 C124	C49-F120 HydrophobicContact CB-CE1 4.26Å; C49-F120 HydrophobicContact CB-CZ 4.44Å; Q108-F120 HydrophobicContact CB-CB 3.81Å; Q108-F120 HydrophobicContact CB-CD1 3.84Å; Q108-F120 HydrophobicContact CB-CD2 3.33Å; Q108-F120 HydrophobicContact CB-CE1 4.18Å; Q108-F120 HydrophobicContact CB-CE2 3.73Å; Q108-F120 HydrophobicContact CB-CG 3.37Å; Q108-F120 HydrophobicContact CB-CZ 4.13Å; Q108-F120 HydrophobicContact CG-CB 3.94Å; Q108-F120 HydrophobicContact CG-CD1 3.58Å; Q108-F120 HydrophobicContact CG-CD2 4.07Å; Q108-F120 HydrophobicContact CG-CE1 4.01Å; Q108-F120 HydrophobicContact CG-CE2 4.45Å; Q108-F120 HydrophobicContact CG-CG 3.6Å; Q108-F120 HydrophobicContact CG-CZ 4.42Å; N110-F120 HydrophobicContact CB-CD2 4.41Å; N110-F120 HydrophobicContact CB-CE2 3.98Å; F115-F120 HydrophobicContact CB-CB 3.89Å; F115-F120 HydrophobicContact CB-CD2 4.45Å; F115-F120 HydrophobicContact CD2-CD2 4.48Å; C116-F120 PolarHBondContact O-N 2.93Å; D118-F120 VanDerWaalsContact C-N 3.34Å; D118-F120 PolarHBondContact O-N 3.16Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.47Å; F120-R123 PolarHBondContact O-N 3.02Å; F120-R123 VanDerWaalsContact O-N 3.15Å; F120-C124 PolarHBondContact O-N 3.07Å
121	I	63.5	Low	75.1	Confident	45 Å²	45	50.2 Å²	50.2	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-39.5	179	-71.6	169.4	0	0	0	110.9	T117 D118 C124 F203 P210	T117-I121 HydrophobicContact CG2-CD1 3.76Å; T117-I121 WeakPolarHBondContact O-CB 3.47Å; T117-I121 WeakPolarHBondContact O-CG1 3.39Å; T117-I121 PolarHBondContact O-N 3.19Å; T117-I121 VanDerWaalsContact O-N 3.07Å; D118-I121 PolarHBondContact O-N 2.88Å; I121-C124 CarbonylContact O-C 3.59Å; I121-C124 PolarHBondContact O-N 2.93Å; I121-C124 VanDerWaalsContact O-N 3.14Å; I121-F203 HydrophobicContact CG2-CE1 4.42Å; I121-P210 HydrophobicContact CD1-CB 3.74Å; I121-P210 HydrophobicContact CD1-CG 3.55Å; I121-P210 HydrophobicContact CG2-CB 4.14Å
122	N	64.5	Low	75.8	Confident	71 Å²	71	49.4 Å²	49.4	38%	0.38	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-44.7	172.1	-66.7	-11.7	0	0	0	110.2	D118 F120 C124 H125	D118-N122 WeakPolarHBondContact O-CB 3.5Å; D118-N122 PolarHBondContact O-N 2.91Å; D118-N122 PolarHBondContact O-ND2 3.35Å; D118-N122 PolarHBondContact O-OD1 3.27Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.47Å; N122-C124 PolarHBondContact O-N 3.46Å; N122-C124 VanDerWaalsContact O-N 3.12Å; N122-H125 WeakPolarHBondContact O-CB 3.5Å; N122-H125 PolarHBondContact O-CD2 3.04Å; N122-H125 PolarHBondContact O-N 3.46Å; N122-H125 PolarHBondContact O-ND1 2.08Å; N122-H125 PolarHBondContact O-NE2 2.95Å; N122-H125 VanDerWaalsContact O-NE2 3.09Å
123	R	65	Low	76.5	Confident	93 Å²	93	52 Å²	52	35%	0.351	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-24.5	174.3	-75.5	179.6	103.2	111.3	-2.1	114.1	C119 F120 H125	C119-R123 WeakPolarHBondContact O-CB 3.43Å; C119-R123 WeakPolarHBondContact O-CG 3.31Å; C119-R123 PolarHBondContact O-N 2.77Å; F120-R123 PolarHBondContact O-N 3.02Å; F120-R123 VanDerWaalsContact O-N 3.15Å; R123-H125 PolarHBondContact O-N 2.91Å
124	C	61.8	Low	76.4	Confident	38 Å²	38	52.4 Å²	52.4	26%	0.257	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	21.6	171.6	-76.2	0	0	0	0	113	C49 F120 I121 N122	C49-C124 HydrophobicContact CB-CB 4.5Å; C49-C124 WeakPolarHBondContact CB-SG 3.32Å; C49-C124 WeakPolarHBondContact SG-CB 3.19Å; C49-C124 CovalentContact SG-SG 2.08Å; C49-C124 PolarHBondContact SG-SG 3.23Å; F120-C124 PolarHBondContact O-N 3.07Å; I121-C124 CarbonylContact O-C 3.59Å; I121-C124 PolarHBondContact O-N 2.93Å; I121-C124 VanDerWaalsContact O-N 3.14Å; N122-C124 PolarHBondContact O-N 3.46Å; N122-C124 VanDerWaalsContact O-N 3.12Å
125	H	68.3	Low	76.2	Confident	30 Å²	30	51.5 Å²	51.5	14%	0.139	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-51.3	130.1	173.2	-77.5	-46.2	0	0	0	110.6	N122 R123 E134 I135 F203	N122-H125 WeakPolarHBondContact O-CB 3.5Å; N122-H125 PolarHBondContact O-CD2 3.04Å; N122-H125 PolarHBondContact O-N 3.46Å; N122-H125 PolarHBondContact O-ND1 2.08Å; N122-H125 PolarHBondContact O-NE2 2.95Å; N122-H125 VanDerWaalsContact O-NE2 3.09Å; R123-H125 PolarHBondContact O-N 2.91Å; H125-E134 HydrophobicContact CB-CB 4.16Å; H125-I135 VanDerWaalsContact CB-O 3.28Å; H125-I135 WeakPolarHBondContact CB-O 3.14Å; H125-I135 PolarHBondContact ND1-O 3.29Å; H125-F203 AromaticContact ND1-CZ 3.86Å
126	P	70.1	Confident	76	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.071	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.2	178.2	25.2	-30	0	0	0	109.7	I135 F140	P126-I135 HydrophobicContact CB-CD1 4.4Å; P126-I135 HydrophobicContact CG-CB 4.22Å; P126-I135 HydrophobicContact CG-CD1 4.08Å; P126-I135 WeakPolarHBondContact O-CB 3.5Å; P126-I135 VanDerWaalsContact O-CG1 3.3Å; P126-I135 WeakPolarHBondContact O-CG1 3.3Å; P126-I135 PolarHBondContact O-N 2.78Å; P126-F140 HydrophobicContact CG-CD2 4.35Å; P126-F140 HydrophobicContact CG-CE1 4.09Å; P126-F140 HydrophobicContact CG-CE2 3.92Å; P126-F140 HydrophobicContact CG-CZ 3.77Å
127	K	79.2	Confident	75.9	Confident	113 Å²	113	58.4 Å²	58.4	49%	0.491	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-77.4	136.7	170.8	-67.5	-171.8	178.2	-172	0	109.6	D129 R133 E134	K127-D129 PolarHBondContact O-N 2.7Å; K127-R133 WeakPolarHBondContact CA-O 3.08Å; K127-E134 HydrophobicContact CG-CG 4.43Å
128	C	86.3	Confident	75.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69.6	124.3	172.2	176.3	0	0	0	0	109.9	R130 Q132 R133 I135 S147 H149 C152	C128-R130 PolarHBondContact O-N 3.07Å; C128-Q132 WeakPolarHBondContact O-CA 3.44Å; C128-Q132 PolarHBondContact O-N 3.43Å; C128-R133 WeakPolarHBondContact CB-O 3.4Å; C128-R133 PolarHBondContact N-O 3.18Å; C128-I135 HydrophobicContact CB-CD1 4Å; C128-I135 HydrophobicContact CB-CG1 3.77Å; C128-S147 CarbonylContact C-O 3.57Å; C128-S147 VanDerWaalsContact CA-O 3.31Å; C128-S147 WeakPolarHBondContact CA-O 3.42Å; C128-H149 WeakPolarHBondContact CB-CE1 3.46Å; C128-H149 WeakPolarHBondContact CB-ND1 3.26Å; C128-H149 PolarHBondContact SG-ND1 2.97Å; C128-C152 WeakPolarHBondContact SG-CB 3.04Å; C128-C152 VanDerWaalsContact SG-SG 3.63Å
129	D	87.1	Confident	76.1	Confident	57 Å²	57	67 Å²	67	31%	0.305	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.9	-178	-171.9	84.5	0	0	0	112.6	K127 Q132 K146 S147 F148	K127-D129 PolarHBondContact O-N 2.7Å; D129-Q132 PolarHBondContact O-NE2 3.31Å; D129-K146 HydrophobicContact CB-CB 4.04Å; D129-K146 HydrophobicContact CB-CD 4.15Å; D129-K146 HydrophobicContact CB-CG 4.26Å; D129-K146 VanDerWaalsContact CG-CD 3.42Å; D129-K146 VanDerWaalsContact CG-CE 3.48Å; D129-K146 VanDerWaalsContact CG-NZ 3.33Å; D129-K146 WeakPolarHBondContact OD1-CD 3.47Å; D129-K146 WeakPolarHBondContact OD1-CE 3.35Å; D129-K146 IonicContact OD1-NZ 3.24Å; D129-K146 PolarHBondContact OD1-NZ 2.9Å; D129-K146 VanDerWaalsContact OD2-CD 3.3Å; D129-K146 WeakPolarHBondContact OD2-CD 3.3Å; D129-K146 WeakPolarHBondContact OD2-CE 3.43Å; D129-K146 IonicContact OD2-NZ 2.72Å; D129-K146 PolarHBondContact OD2-NZ 3.28Å; D129-S147 PolarHBondContact N-O 3.36Å; D129-F148 HydrophobicContact CB-CD1 4.19Å; D129-F148 HydrophobicContact CB-CE1 3.64Å; D129-F148 HydrophobicContact CB-CZ 3.88Å
130	R	89.5	Confident	76.4	Confident	120 Å²	120	66.7 Å²	66.7	45%	0.453	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-53.4	178.1	-168.9	173	-172.4	-145.4	10	113.5	C128 F148 C152	C128-R130 PolarHBondContact O-N 3.07Å; R130-F148 HydrophobicContact CB-CD1 4.2Å; R130-C152 HydrophobicContact CB-CB 4.01Å; R130-C152 WeakPolarHBondContact CD-O 3.35Å
131	C	91.5	Very high	76.9	Confident	41 Å²	41	67 Å²	67	28%	0.277	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.3	-174.3	75.8	0	0	0	0	113.7	R133 H149	C131-R133 PolarHBondContact O-N 3.05Å; C131-H149 PolarHBondContact SG-CE1 3.19Å; C131-H149 PolarHBondContact SG-ND1 3.02Å
132	Q	88	Confident	77.5	Confident	119 Å²	119	65.9 Å²	65.9	56%	0.556	32%	0.315	S	S	*	.			trans	61.6	4.4	-179.5	-58.8	-62.7	-41	0	0	115.5	C128 D129	C128-Q132 WeakPolarHBondContact O-CA 3.44Å; C128-Q132 PolarHBondContact O-N 3.43Å; D129-Q132 PolarHBondContact O-NE2 3.31Å
133	R	87	Confident	78	Confident	168 Å²	168	62.7 Å²	62.7	63%	0.634	30%	0.298	S	S	*	.	S	Bend	trans	-85.9	156.1	173.8	-60.4	-177.5	-68.2	169.3	0.3	111.5	K127 C128 C131	K127-R133 WeakPolarHBondContact CA-O 3.08Å; C128-R133 WeakPolarHBondContact CB-O 3.4Å; C128-R133 PolarHBondContact N-O 3.18Å; C131-R133 PolarHBondContact O-N 3.05Å
134	E	77.9	Confident	78.5	Confident	109 Å²	109	60.7 Å²	60.7	51%	0.509	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-63.8	142.5	175.7	-66.2	173.6	-174	0	0	111.5	H125 K127 S136 H149	H125-E134 HydrophobicContact CB-CB 4.16Å; K127-E134 HydrophobicContact CG-CG 4.43Å; E134-S136 PolarHBondContact O-N 3.46Å; E134-H149 PolarHBondContact O-NE2 3.17Å
135	I	78	Confident	79	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.326	C	S	.	.			trans	-96.2	89.1	176.7	-55	161.5	0	0	0	108.8	H125 P126 C128 D137 F140 H149	H125-I135 VanDerWaalsContact CB-O 3.28Å; H125-I135 WeakPolarHBondContact CB-O 3.14Å; H125-I135 PolarHBondContact ND1-O 3.29Å; P126-I135 HydrophobicContact CB-CD1 4.4Å; P126-I135 HydrophobicContact CG-CB 4.22Å; P126-I135 HydrophobicContact CG-CD1 4.08Å; P126-I135 WeakPolarHBondContact O-CB 3.5Å; P126-I135 VanDerWaalsContact O-CG1 3.3Å; P126-I135 WeakPolarHBondContact O-CG1 3.3Å; P126-I135 PolarHBondContact O-N 2.78Å; C128-I135 HydrophobicContact CB-CD1 4Å; C128-I135 HydrophobicContact CB-CG1 3.77Å; I135-D137 VanDerWaalsContact C-N 3.25Å; I135-D137 HydrophobicContact CG2-CB 4.16Å; I135-F140 HydrophobicContact CD1-CB 4.4Å; I135-F140 HydrophobicContact CD1-CD2 4.37Å; I135-F140 HydrophobicContact CG2-CB 3.47Å; I135-F140 VanDerWaalsContact CG2-CB 3.47Å; I135-F140 HydrophobicContact CG2-CD1 4.41Å; I135-F140 HydrophobicContact CG2-CG 4.08Å; I135-H149 WeakPolarHBondContact CA-NE2 3.2Å
136	S	72.9	Confident	79.6	Confident	83 Å²	83	64.7 Å²	64.7	58%	0.58	33%	0.332	S	S	*	.			trans	-78.4	-8.6	175.7	50.9	0	0	0	0	114	E134	E134-S136 PolarHBondContact O-N 3.46Å
137	D	75.8	Confident	80.1	Confident	63 Å²	63	65.1 Å²	65.1	34%	0.337	34%	0.335	S	S	.	.	S	Bend	trans	-63.4	142.2	-179.7	-61.9	-42	0	0	0	112.1	I135 H139 H149	I135-D137 VanDerWaalsContact C-N 3.25Å; I135-D137 HydrophobicContact CG2-CB 4.16Å; D137-H139 WeakPolarHBondContact CB-O 3.24Å; D137-H139 PolarHBondContact O-N 3.42Å; D137-H139 VanDerWaalsContact O-N 3.16Å; D137-H149 IonicContact OD2-CD2 3.46Å; D137-H149 PolarHBondContact OD2-CD2 2.88Å
138	K	71.3	Confident	80.3	Confident	135 Å²	135	60.1 Å²	60.1	59%	0.587	31%	0.313	S	S	*	.	S	Bend	trans	-58.8	-27.7	173.5	-173.1	179	172.8	-179.7	0	112.4	N202 F203	K138-N202 WeakPolarHBondContact O-CA 3.41Å; K138-F203 PolarHBondContact O-N 3.49Å
139	H	75.1	Confident	80.4	Confident	90 Å²	90	60.6 Å²	60.6	42%	0.417	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.2	-179.4	-43.3	111.5	0	0	0	109.8	D137 I200 I201 N202	D137-H139 WeakPolarHBondContact CB-O 3.24Å; D137-H139 PolarHBondContact O-N 3.42Å; D137-H139 VanDerWaalsContact O-N 3.16Å; H139-I200 HydrophobicContact CB-CG2 4.18Å; H139-I201 VanDerWaalsContact CA-O 3.26Å; H139-I201 WeakPolarHBondContact CA-O 3.47Å; H139-N202 PolarHBondContact CD2-OD1 2.77Å
140	F	79.9	Confident	80.4	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.1	177.7	66.9	-89.7	0	0	0	112	P126 I135 A142 I201 F203 L212	P126-F140 HydrophobicContact CG-CD2 4.35Å; P126-F140 HydrophobicContact CG-CE1 4.09Å; P126-F140 HydrophobicContact CG-CE2 3.92Å; P126-F140 HydrophobicContact CG-CZ 3.77Å; I135-F140 HydrophobicContact CD1-CB 4.4Å; I135-F140 HydrophobicContact CD1-CD2 4.37Å; I135-F140 HydrophobicContact CG2-CB 3.47Å; I135-F140 VanDerWaalsContact CG2-CB 3.47Å; I135-F140 HydrophobicContact CG2-CD1 4.41Å; I135-F140 HydrophobicContact CG2-CG 4.08Å; F140-A142 HydrophobicContact CE2-CB 4.36Å; F140-I201 HydrophobicContact CD1-CB 3.97Å; F140-I201 HydrophobicContact CD1-CG2 4.21Å; F140-I201 HydrophobicContact CD2-CB 4.11Å; F140-I201 HydrophobicContact CD2-CG1 4.21Å; F140-I201 HydrophobicContact CE1-CB 3.56Å; F140-I201 HydrophobicContact CE1-CG1 4.38Å; F140-I201 HydrophobicContact CE1-CG2 3.38Å; F140-I201 HydrophobicContact CE2-CB 3.72Å; F140-I201 HydrophobicContact CE2-CG1 3.64Å; F140-I201 HydrophobicContact CE2-CG2 4.14Å; F140-I201 HydrophobicContact CG-CB 4.23Å; F140-I201 HydrophobicContact CZ-CB 3.44Å; F140-I201 VanDerWaalsContact CZ-CB 3.44Å; F140-I201 HydrophobicContact CZ-CG1 3.75Å; F140-I201 HydrophobicContact CZ-CG2 3.35Å; F140-I201 PolarHBondContact N-O 2.82Å; F140-I201 PolarHBondContact O-N 3.01Å; F140-F203 HydrophobicContact CD1-CD2 4.24Å; F140-F203 AromaticContact CD1-CE2 3.73Å; F140-F203 HydrophobicContact CD1-CE2 3.73Å; F140-F203 HydrophobicContact CE1-CD2 4.07Å; F140-F203 AromaticContact CE1-CE2 3.42Å; F140-F203 HydrophobicContact CE1-CE2 3.42Å; F140-F203 VanDerWaalsContact CE1-CE2 3.42Å; F140-F203 AromaticContact CE1-CZ 3.97Å; F140-F203 HydrophobicContact CE1-CZ 3.97Å; F140-L212 HydrophobicContact CE1-CD2 4.44Å
141	M	81.9	Confident	80.5	Confident	15 Å²	15	62.7 Å²	62.7	7%	0.074	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.2	-178.4	-57.2	-58.6	175.3	0	0	109.1	S147 F148 K150 F153 Y198 I200	M141-S147 CarbonylContact O-C 3.54Å; M141-S147 WeakPolarHBondContact O-CA 3.12Å; M141-F148 HydrophobicContact CB-CB 4.33Å; M141-F148 PolarHBondContact N-O 2.88Å; M141-F148 PolarHBondContact O-N 3.43Å; M141-K150 HydrophobicContact CE-CB 4.28Å; M141-K150 HydrophobicContact CE-CD 4.39Å; M141-K150 HydrophobicContact CE-CG 3.8Å; M141-F153 HydrophobicContact CB-CB 3.89Å; M141-F153 HydrophobicContact CB-CD1 4.22Å; M141-F153 HydrophobicContact CB-CD2 3.98Å; M141-F153 HydrophobicContact CB-CG 3.75Å; M141-F153 HydrophobicContact CG-CB 3.75Å; M141-F153 HydrophobicContact CG-CD1 4.08Å; M141-F153 HydrophobicContact CG-CG 3.9Å; M141-Y198 HydrophobicContact CE-CE2 4.34Å; M141-Y198 HydrophobicContact SD-CD2 3.78Å; M141-Y198 HydrophobicContact SD-CE2 3.47Å; M141-Y198 WeakPolarHBondContact SD-CE2 3.31Å; M141-I200 HydrophobicContact CE-CD1 4.34Å; M141-I200 HydrophobicContact CE-CG1 4.24Å; M141-I200 HydrophobicContact SD-CG1 3.8Å
142	A	75.6	Confident	80.5	Confident	20 Å²	20	61.2 Å²	61.2	17%	0.165	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.8	169.6	0	0	0	0	0	110	F140 K146 Y198 V199 I201	F140-A142 HydrophobicContact CE2-CB 4.36Å; A142-K146 WeakPolarHBondContact CA-O 3.28Å; A142-Y198 WeakPolarHBondContact O-CA 3.39Å; A142-V199 HydrophobicContact CB-CG2 3.92Å; A142-V199 PolarHBondContact N-O 2.79Å; A142-V199 PolarHBondContact O-N 3.34Å; A142-I201 HydrophobicContact CB-CD1 4.09Å; A142-I201 HydrophobicContact CB-CG1 3.58Å
143	A	75.7	Confident	80.7	Confident	4 Å²	4	56 Å²	56	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.2	-178.7	0	0	0	0	0	107.4	G145 K146 F148 F153 Y167	A143-G145 PolarHBondContact O-N 3.5Å; A143-K146 PolarHBondContact N-O 2.84Å; A143-K146 VanDerWaalsContact N-O 3.08Å; A143-K146 CarbonylContact O-C 3.56Å; A143-K146 WeakPolarHBondContact O-CA 3.32Å; A143-K146 PolarHBondContact O-N 2.89Å; A143-F148 HydrophobicContact CB-CE2 4.28Å; A143-F153 HydrophobicContact CB-CE2 3.49Å; A143-F153 VanDerWaalsContact CB-CE2 3.49Å; A143-F153 HydrophobicContact CB-CZ 3.92Å; A143-Y167 HydrophobicContact CB-CE1 4.26Å; A143-Y167 HydrophobicContact CB-CE2 4.34Å; A143-Y167 WeakPolarHBondContact CB-OH 3.48Å
144	I	75.9	Confident	80.9	Confident	51 Å²	51	48.4 Å²	48.4	26%	0.262	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	32.6	169.8	61.7	165.9	0	0	0	115	K146 Y167 Q169 L174	I144-K146 HydrophobicContact CD1-CD 3.81Å; I144-K146 HydrophobicContact CG1-CB 4.29Å; I144-K146 HydrophobicContact CG1-CD 4.06Å; I144-K146 HydrophobicContact CG1-CG 4.46Å; I144-K146 PolarHBondContact O-N 2.71Å; I144-Y167 HydrophobicContact CG2-CE2 4.09Å; I144-Q169 HydrophobicContact CD1-CG 4.25Å; I144-Q169 HydrophobicContact CG2-CB 4.47Å; I144-Q169 HydrophobicContact CG2-CG 4.21Å; I144-Q169 VanDerWaalsContact CG2-OE1 3.31Å; I144-L174 HydrophobicContact CD1-CD2 3.68Å; I144-L174 HydrophobicContact CD1-CG 4.49Å; I144-L174 HydrophobicContact CG1-CD2 4.28Å
145	G	72.3	Confident	81.5	Confident	89 Å²	89	43.2 Å²	43.2	92%	0.918	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	2.9	-176.5	0	0	0	0	0	115.1	A143	A143-G145 PolarHBondContact O-N 3.5Å
146	K	80.6	Confident	82.2	Confident	64 Å²	64	46.2 Å²	46.2	28%	0.278	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	159.3	-180	-68.9	168.4	161.2	-156.5	0	110.7	D129 A142 A143 I144 F148 G172	D129-K146 HydrophobicContact CB-CB 4.04Å; D129-K146 HydrophobicContact CB-CD 4.15Å; D129-K146 HydrophobicContact CB-CG 4.26Å; D129-K146 VanDerWaalsContact CG-CD 3.42Å; D129-K146 VanDerWaalsContact CG-CE 3.48Å; D129-K146 VanDerWaalsContact CG-NZ 3.33Å; D129-K146 WeakPolarHBondContact OD1-CD 3.47Å; D129-K146 WeakPolarHBondContact OD1-CE 3.35Å; D129-K146 IonicContact OD1-NZ 3.24Å; D129-K146 PolarHBondContact OD1-NZ 2.9Å; D129-K146 VanDerWaalsContact OD2-CD 3.3Å; D129-K146 WeakPolarHBondContact OD2-CD 3.3Å; D129-K146 WeakPolarHBondContact OD2-CE 3.43Å; D129-K146 IonicContact OD2-NZ 2.72Å; D129-K146 PolarHBondContact OD2-NZ 3.28Å; A142-K146 WeakPolarHBondContact CA-O 3.28Å; A143-K146 PolarHBondContact N-O 2.84Å; A143-K146 VanDerWaalsContact N-O 3.08Å; A143-K146 CarbonylContact O-C 3.56Å; A143-K146 WeakPolarHBondContact O-CA 3.32Å; A143-K146 PolarHBondContact O-N 2.89Å; I144-K146 HydrophobicContact CD1-CD 3.81Å; I144-K146 HydrophobicContact CG1-CB 4.29Å; I144-K146 HydrophobicContact CG1-CD 4.06Å; I144-K146 HydrophobicContact CG1-CG 4.46Å; I144-K146 PolarHBondContact O-N 2.71Å; K146-F148 HydrophobicContact CB-CD2 4.5Å; K146-F148 HydrophobicContact CB-CE2 3.57Å; K146-F148 HydrophobicContact CB-CZ 3.77Å; K146-F148 HydrophobicContact CD-CZ 4.2Å; K146-G172 PolarHBondContact NZ-O 3.3Å
147	S	80.3	Confident	83	Confident	19 Å²	19	46.1 Å²	46.1	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.9	178.2	-59.1	0	0	0	0	109.6	C128 D129 M141	C128-S147 CarbonylContact C-O 3.57Å; C128-S147 VanDerWaalsContact CA-O 3.31Å; C128-S147 WeakPolarHBondContact CA-O 3.42Å; D129-S147 PolarHBondContact N-O 3.36Å; M141-S147 CarbonylContact O-C 3.54Å; M141-S147 WeakPolarHBondContact O-CA 3.12Å
148	F	84.6	Confident	83.9	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143	-177.8	-55.9	-94.7	0	0	0	109.7	D129 R130 M141 A143 K146 C152 F153 L174	D129-F148 HydrophobicContact CB-CD1 4.19Å; D129-F148 HydrophobicContact CB-CE1 3.64Å; D129-F148 HydrophobicContact CB-CZ 3.88Å; R130-F148 HydrophobicContact CB-CD1 4.2Å; M141-F148 HydrophobicContact CB-CB 4.33Å; M141-F148 PolarHBondContact N-O 2.88Å; M141-F148 PolarHBondContact O-N 3.43Å; A143-F148 HydrophobicContact CB-CE2 4.28Å; K146-F148 HydrophobicContact CB-CD2 4.5Å; K146-F148 HydrophobicContact CB-CE2 3.57Å; K146-F148 HydrophobicContact CB-CZ 3.77Å; K146-F148 HydrophobicContact CD-CZ 4.2Å; F148-C152 HydrophobicContact CB-CB 4.47Å; F148-F153 HydrophobicContact CB-CB 4.06Å; F148-F153 HydrophobicContact CB-CD2 4.09Å; F148-F153 AromaticContact CD2-CD2 3.74Å; F148-F153 HydrophobicContact CD2-CD2 3.74Å; F148-F153 HydrophobicContact CD2-CE2 4.18Å; F148-F153 HydrophobicContact CE2-CD2 4.33Å; F148-F153 HydrophobicContact CE2-CE2 4.42Å; F148-F153 AromaticContact CG-CD2 3.9Å; F148-F153 HydrophobicContact CG-CD2 3.9Å; F148-L174 HydrophobicContact CE1-CD1 4.09Å; F148-L174 HydrophobicContact CE2-CD1 4.11Å; F148-L174 HydrophobicContact CZ-CD1 3.81Å
149	H	88.7	Confident	84.9	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.046	24%	0.238	C	C	.	.			trans	-58.1	154	160.3	-54.5	97.1	0	0	0	110	C128 C131 E134 I135 D137 E151 C152 F153	C128-H149 WeakPolarHBondContact CB-CE1 3.46Å; C128-H149 WeakPolarHBondContact CB-ND1 3.26Å; C128-H149 PolarHBondContact SG-ND1 2.97Å; C131-H149 PolarHBondContact SG-CE1 3.19Å; C131-H149 PolarHBondContact SG-ND1 3.02Å; E134-H149 PolarHBondContact O-NE2 3.17Å; I135-H149 WeakPolarHBondContact CA-NE2 3.2Å; D137-H149 IonicContact OD2-CD2 3.46Å; D137-H149 PolarHBondContact OD2-CD2 2.88Å; H149-E151 VanDerWaalsContact C-N 3.25Å; H149-E151 VanDerWaalsContact CB-CD 3.48Å; H149-E151 HydrophobicContact CB-CG 4.48Å; H149-E151 WeakPolarHBondContact CB-OE1 3.44Å; H149-E151 IonicContact CD2-OE1 3.91Å; H149-E151 IonicContact CG-OE1 3.47Å; H149-E151 PolarHBondContact O-N 2.97Å; H149-C152 HydrophobicContact CB-CB 3.9Å; H149-C152 WeakPolarHBondContact O-CA 3.48Å; H149-C152 WeakPolarHBondContact O-CB 3.48Å; H149-C152 PolarHBondContact O-N 3.41Å; H149-F153 PolarHBondContact O-N 3.16Å
150	K	87.1	Confident	85.6	Confident	132 Å²	132	43.3 Å²	43.3	57%	0.574	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.3	-179.6	179	176.4	179.5	-175	0	111.8	M141	M141-K150 HydrophobicContact CE-CB 4.28Å; M141-K150 HydrophobicContact CE-CD 4.39Å; M141-K150 HydrophobicContact CE-CG 3.8Å
151	E	90.4	Very high	86.1	Confident	89 Å²	89	51 Å²	51	42%	0.416	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.1	177.7	69.2	-73.3	168.4	0	0	113.6	H149 V154	H149-E151 VanDerWaalsContact C-N 3.25Å; H149-E151 VanDerWaalsContact CB-CD 3.48Å; H149-E151 HydrophobicContact CB-CG 4.48Å; H149-E151 WeakPolarHBondContact CB-OE1 3.44Å; H149-E151 IonicContact CD2-OE1 3.91Å; H149-E151 IonicContact CG-OE1 3.47Å; H149-E151 PolarHBondContact O-N 2.97Å; E151-V154 WeakPolarHBondContact O-CG1 3.31Å
152	C	91.9	Very high	86.2	Confident	11 Å²	11	51.1 Å²	51.1	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.6	173.6	-74.3	0	0	0	0	112.7	C128 R130 F148 H149 V154	C128-C152 WeakPolarHBondContact SG-CB 3.04Å; C128-C152 VanDerWaalsContact SG-SG 3.63Å; R130-C152 HydrophobicContact CB-CB 4.01Å; R130-C152 WeakPolarHBondContact CD-O 3.35Å; F148-C152 HydrophobicContact CB-CB 4.47Å; H149-C152 HydrophobicContact CB-CB 3.9Å; H149-C152 WeakPolarHBondContact O-CA 3.48Å; H149-C152 WeakPolarHBondContact O-CB 3.48Å; H149-C152 PolarHBondContact O-N 3.41Å; C152-V154 PolarHBondContact O-N 3.47Å
153	F	91	Very high	86.2	Confident	10 Å²	10	57.5 Å²	57.5	4%	0.044	30%	0.303	C	S	.	.			trans	-83.4	77.6	-179.5	-166.6	-107.6	0	0	0	111.8	M141 A143 F148 H149 F162 Y167 L174 Y198	M141-F153 HydrophobicContact CB-CB 3.89Å; M141-F153 HydrophobicContact CB-CD1 4.22Å; M141-F153 HydrophobicContact CB-CD2 3.98Å; M141-F153 HydrophobicContact CB-CG 3.75Å; M141-F153 HydrophobicContact CG-CB 3.75Å; M141-F153 HydrophobicContact CG-CD1 4.08Å; M141-F153 HydrophobicContact CG-CG 3.9Å; A143-F153 HydrophobicContact CB-CE2 3.49Å; A143-F153 VanDerWaalsContact CB-CE2 3.49Å; A143-F153 HydrophobicContact CB-CZ 3.92Å; F148-F153 HydrophobicContact CB-CB 4.06Å; F148-F153 HydrophobicContact CB-CD2 4.09Å; F148-F153 AromaticContact CD2-CD2 3.74Å; F148-F153 HydrophobicContact CD2-CD2 3.74Å; F148-F153 HydrophobicContact CD2-CE2 4.18Å; F148-F153 HydrophobicContact CE2-CD2 4.33Å; F148-F153 HydrophobicContact CE2-CE2 4.42Å; F148-F153 AromaticContact CG-CD2 3.9Å; F148-F153 HydrophobicContact CG-CD2 3.9Å; H149-F153 PolarHBondContact O-N 3.16Å; F153-F162 AromaticContact CD1-CD2 3.6Å; F153-F162 HydrophobicContact CD1-CD2 3.6Å; F153-F162 HydrophobicContact CD1-CE2 4.07Å; F153-F162 HydrophobicContact CD2-CE2 4.46Å; F153-F162 AromaticContact CE1-CD2 3.42Å; F153-F162 HydrophobicContact CE1-CD2 3.42Å; F153-F162 VanDerWaalsContact CE1-CD2 3.42Å; F153-F162 AromaticContact CE1-CE2 3.95Å; F153-F162 HydrophobicContact CE1-CE2 3.95Å; F153-F162 HydrophobicContact CE1-CG 4.4Å; F153-F162 HydrophobicContact CE2-CE2 4.35Å; F153-F162 HydrophobicContact CG-CD2 4.28Å; F153-F162 HydrophobicContact CG-CE2 4.32Å; F153-F162 AromaticContact CZ-CD2 3.97Å; F153-F162 HydrophobicContact CZ-CD2 3.97Å; F153-F162 HydrophobicContact CZ-CE2 4.09Å; F153-Y167 HydrophobicContact CE1-CD1 4.22Å; F153-Y167 AromaticContact CZ-CD1 3.63Å; F153-Y167 HydrophobicContact CZ-CD1 3.63Å; F153-Y167 AromaticContact CZ-CE1 3.78Å; F153-Y167 HydrophobicContact CZ-CE1 3.78Å; F153-Y167 HydrophobicContact CZ-CG 4.13Å; F153-L174 HydrophobicContact CD2-CD1 3.64Å; F153-L174 HydrophobicContact CE2-CD1 3.36Å; F153-L174 HydrophobicContact CZ-CD1 4.27Å; F153-Y198 HydrophobicContact CD1-CD1 4.46Å; F153-Y198 HydrophobicContact CD1-CE1 4.46Å; F153-Y198 AromaticContact CE1-CD1 3.41Å; F153-Y198 HydrophobicContact CE1-CD1 3.41Å; F153-Y198 VanDerWaalsContact CE1-CD1 3.41Å; F153-Y198 HydrophobicContact CE1-CD2 4.48Å; F153-Y198 AromaticContact CE1-CE1 3.68Å; F153-Y198 HydrophobicContact CE1-CE1 3.68Å; F153-Y198 AromaticContact CE1-CG 3.82Å; F153-Y198 HydrophobicContact CE1-CG 3.82Å; F153-Y198 AromaticContact CZ-CD1 3.77Å; F153-Y198 HydrophobicContact CZ-CD1 3.77Å; F153-Y198 HydrophobicContact CZ-CE1 4.48Å; F153-Y198 AromaticContact CZ-CG 3.96Å; F153-Y198 HydrophobicContact CZ-CG 3.96Å
154	V	91.2	Very high	85.9	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.042	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-142.8	168.4	-175.8	-54.5	0	0	0	0	111.2	E151 C152 T156 G159 K160 R161 F162	E151-V154 WeakPolarHBondContact O-CG1 3.31Å; C152-V154 PolarHBondContact O-N 3.47Å; V154-T156 PolarHBondContact O-N 3.2Å; V154-G159 WeakPolarHBondContact CB-O 3.45Å; V154-G159 WeakPolarHBondContact CG2-O 3.38Å; V154-K160 WeakPolarHBondContact CB-O 3.35Å; V154-R161 HydrophobicContact CG1-CB 4.41Å; V154-R161 HydrophobicContact CG1-CG 3.72Å; V154-F162 VanDerWaalsContact C-CE2 3.42Å; V154-F162 WeakPolarHBondContact O-CZ 3.39Å
155	C	92.2	Very high	85.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.			trans	-58.1	131	175.8	-177.3	0	0	0	0	111.1	K157 C158 G159 K160 F162 L174 C176 D179	C155-K157 PolarHBondContact O-N 2.95Å; C155-K157 PolarHBondContact SG-N 3.15Å; C155-K157 VanDerWaalsContact SG-N 3.45Å; C155-C158 VanDerWaalsContact CB-SG 3.54Å; C155-G159 WeakPolarHBondContact O-CA 3.36Å; C155-G159 PolarHBondContact O-N 3.48Å; C155-K160 PolarHBondContact N-O 3Å; C155-F162 HydrophobicContact CB-CE1 4.12Å; C155-F162 HydrophobicContact CB-CZ 4.48Å; C155-F162 VanDerWaalsContact N-CZ 3.3Å; C155-L174 WeakPolarHBondContact CA-O 3.34Å; C155-C176 HydrophobicContact CB-CB 4.13Å; C155-C176 PolarHBondContact SG-N 3.39Å; C155-C176 VanDerWaalsContact SG-N 3.41Å; C155-D179 PolarHBondContact SG-OD2 3.35Å
156	T	91	Very high	85.5	Confident	63 Å²	63	61.4 Å²	61.4	39%	0.387	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.3	178.6	-57.7	0	0	0	0	112.4	V154 L174	V154-T156 PolarHBondContact O-N 3.2Å; T156-L174 PolarHBondContact N-O 3.48Å; T156-L174 PolarHBondContact OG1-N 2.9Å; T156-L174 PolarHBondContact OG1-O 2.94Å; T156-L174 VanDerWaalsContact OG1-O 3.12Å
157	K	90.6	Very high	85.6	Confident	81 Å²	81	58.5 Å²	58.5	35%	0.352	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-63.9	-176.9	-174	173.5	163.1	-122	0	112.6	C155 Y175 D179 E182 V183	C155-K157 PolarHBondContact O-N 2.95Å; C155-K157 PolarHBondContact SG-N 3.15Å; C155-K157 VanDerWaalsContact SG-N 3.45Å; K157-Y175 HydrophobicContact CB-CD1 4.29Å; K157-Y175 HydrophobicContact CB-CE1 4.38Å; K157-D179 HydrophobicContact CB-CB 4.19Å; K157-D179 HydrophobicContact CD-CB 4Å; K157-D179 IonicContact NZ-OD1 2.81Å; K157-D179 PolarHBondContact NZ-OD1 3.12Å; K157-E182 VanDerWaalsContact CE-CD 3.45Å; K157-E182 WeakPolarHBondContact CE-OE1 3.27Å; K157-E182 WeakPolarHBondContact CE-OE2 3.43Å; K157-E182 IonicContact NZ-OE1 3.23Å; K157-E182 PolarHBondContact NZ-OE1 3.14Å; K157-E182 IonicContact NZ-OE2 2.59Å; K157-E182 PolarHBondContact NZ-OE2 2.85Å; K157-V183 HydrophobicContact CD-CG2 4.1Å
158	C	93.8	Very high	85.6	Confident	53 Å²	53	58.6 Å²	58.6	36%	0.358	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.9	-178.5	66.9	0	0	0	0	115.4	C155 K160 D179	C155-C158 VanDerWaalsContact CB-SG 3.54Å; C158-K160 HydrophobicContact CB-CG 4.32Å; C158-K160 PolarHBondContact O-N 2.63Å; C158-K160 VanDerWaalsContact O-N 3.13Å; C158-K160 VanDerWaalsContact SG-CB 3.54Å; C158-K160 PolarHBondContact SG-N 3.09Å; C158-D179 WeakPolarHBondContact CB-OD2 3.37Å; C158-D179 PolarHBondContact N-OD2 2.97Å; C158-D179 VanDerWaalsContact N-OD2 3.17Å; C158-D179 PolarHBondContact SG-OD2 3.33Å
159	G	92.5	Very high	85.2	Confident	35 Å²	35	60 Å²	60	36%	0.361	29%	0.292	S	S	.	.			trans	71.4	-0.9	-176	0	0	0	0	0	115.3	V154 C155	V154-G159 WeakPolarHBondContact CB-O 3.45Å; V154-G159 WeakPolarHBondContact CG2-O 3.38Å; C155-G159 WeakPolarHBondContact O-CA 3.36Å; C155-G159 PolarHBondContact O-N 3.48Å
160	K	91.5	Very high	84.5	Confident	142 Å²	142	60 Å²	60	62%	0.617	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-68.7	142.2	177.9	-65.9	-178.5	179.4	-179.1	0	111.5	V154 C155 C158	V154-K160 WeakPolarHBondContact CB-O 3.35Å; C155-K160 PolarHBondContact N-O 3Å; C158-K160 HydrophobicContact CB-CG 4.32Å; C158-K160 PolarHBondContact O-N 2.63Å; C158-K160 VanDerWaalsContact O-N 3.13Å; C158-K160 VanDerWaalsContact SG-CB 3.54Å; C158-K160 PolarHBondContact SG-N 3.09Å
161	R	88.7	Confident	83.9	Confident	168 Å²	168	61.4 Å²	61.4	63%	0.634	30%	0.295	S	S	*	.	B	Isolated β-bridge	trans	-62.3	149.1	171	-69.1	178.2	178.5	179.8	2.1	110.3	V154 E163	V154-R161 HydrophobicContact CG1-CB 4.41Å; V154-R161 HydrophobicContact CG1-CG 3.72Å; R161-E163 PolarHBondContact O-N 2.74Å
162	F	84.8	Confident	83.2	Confident	18 Å²	18	58.2 Å²	58.2	8%	0.079	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-73.8	119.8	178	-62.2	-60.5	0	0	0	110.9	F153 V154 C155 Q166 L174 Y175 C176	F153-F162 AromaticContact CD1-CD2 3.6Å; F153-F162 HydrophobicContact CD1-CD2 3.6Å; F153-F162 HydrophobicContact CD1-CE2 4.07Å; F153-F162 HydrophobicContact CD2-CE2 4.46Å; F153-F162 AromaticContact CE1-CD2 3.42Å; F153-F162 HydrophobicContact CE1-CD2 3.42Å; F153-F162 VanDerWaalsContact CE1-CD2 3.42Å; F153-F162 AromaticContact CE1-CE2 3.95Å; F153-F162 HydrophobicContact CE1-CE2 3.95Å; F153-F162 HydrophobicContact CE1-CG 4.4Å; F153-F162 HydrophobicContact CE2-CE2 4.35Å; F153-F162 HydrophobicContact CG-CD2 4.28Å; F153-F162 HydrophobicContact CG-CE2 4.32Å; F153-F162 AromaticContact CZ-CD2 3.97Å; F153-F162 HydrophobicContact CZ-CD2 3.97Å; F153-F162 HydrophobicContact CZ-CE2 4.09Å; V154-F162 VanDerWaalsContact C-CE2 3.42Å; V154-F162 WeakPolarHBondContact O-CZ 3.39Å; C155-F162 HydrophobicContact CB-CE1 4.12Å; C155-F162 HydrophobicContact CB-CZ 4.48Å; C155-F162 VanDerWaalsContact N-CZ 3.3Å; F162-Q166 WeakPolarHBondContact CB-O 3.49Å; F162-L174 HydrophobicContact CE2-CB 4.02Å; F162-L174 HydrophobicContact CE2-CD1 4.14Å; F162-L174 HydrophobicContact CZ-CB 3.52Å; F162-L174 HydrophobicContact CZ-CD1 4.47Å; F162-Y175 WeakPolarHBondContact CE1-O 3.24Å; F162-C176 HydrophobicContact CD1-CB 4.41Å; F162-C176 HydrophobicContact CE1-CB 4.44Å
163	E	75.1	Confident	82.8	Confident	153 Å²	153	62.1 Å²	62.1	72%	0.715	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-75.8	149	173.6	-68.2	175	-166.7	0	0	110.6	R161 N165 Q166	R161-E163 PolarHBondContact O-N 2.74Å; E163-N165 PolarHBondContact O-N 2.88Å; E163-Q166 PolarHBondContact O-N 2.81Å
164	N	69.2	Low	82.5	Confident	113 Å²	113	62 Å²	62	60%	0.604	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	48.3	29.9	178.2	-58.7	-30.6	0	0	0	113.8	Q166 N219	N164-Q166 WeakPolarHBondContact O-CG 3.48Å; N164-Q166 PolarHBondContact O-N 2.83Å; N164-N219 PolarHBondContact O-ND2 3.3Å
165	N	68.4	Low	82.2	Confident	47 Å²	47	62.2 Å²	62.2	25%	0.251	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	57.1	24.4	177.6	-51.2	-34.5	0	0	0	114.7	E163 Y198 S217 N219	E163-N165 PolarHBondContact O-N 2.88Å; N165-Y198 VanDerWaalsContact CA-CE1 3.44Å; N165-Y198 HydrophobicContact CB-CD1 4.26Å; N165-Y198 HydrophobicContact CB-CE1 3.36Å; N165-Y198 PolarHBondContact OD1-OH 3.46Å; N165-S217 PolarHBondContact ND2-OG 2.88Å; N165-N219 PolarHBondContact ND2-ND2 3.15Å
166	Q	72.6	Confident	82	Confident	66 Å²	66	63.2 Å²	63.2	31%	0.308	31%	0.309	S	S	.	.			trans	-107.6	130.8	-177	-74.8	175.9	-2.7	0	0	110.8	F162 E163 N164 W168 L195	F162-Q166 WeakPolarHBondContact CB-O 3.49Å; E163-Q166 PolarHBondContact O-N 2.81Å; N164-Q166 WeakPolarHBondContact O-CG 3.48Å; N164-Q166 PolarHBondContact O-N 2.83Å; Q166-W168 HydrophobicContact CB-CH2 4.31Å; Q166-W168 HydrophobicContact CB-CZ3 4.2Å; Q166-L195 HydrophobicContact CB-CD1 4.06Å; Q166-L195 HydrophobicContact CG-CD1 3.93Å; Q166-L195 HydrophobicContact CG-CD2 4.08Å; Q166-L195 HydrophobicContact CG-CG 4.23Å
167	Y	81.9	Confident	81.6	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.3	174.4	66.1	-85.9	0	0	0	109.6	A143 I144 F153 L174 G196 S197 Y198	A143-Y167 HydrophobicContact CB-CE1 4.26Å; A143-Y167 HydrophobicContact CB-CE2 4.34Å; A143-Y167 WeakPolarHBondContact CB-OH 3.48Å; I144-Y167 HydrophobicContact CG2-CE2 4.09Å; F153-Y167 HydrophobicContact CE1-CD1 4.22Å; F153-Y167 AromaticContact CZ-CD1 3.63Å; F153-Y167 HydrophobicContact CZ-CD1 3.63Å; F153-Y167 AromaticContact CZ-CE1 3.78Å; F153-Y167 HydrophobicContact CZ-CE1 3.78Å; F153-Y167 HydrophobicContact CZ-CG 4.13Å; Y167-L174 HydrophobicContact CD2-CD2 3.52Å; Y167-L174 HydrophobicContact CE2-CD2 3.63Å; Y167-L174 HydrophobicContact CG-CD2 4.45Å; Y167-G196 WeakPolarHBondContact CD1-O 3.48Å; Y167-G196 VanDerWaalsContact CE1-C 3.42Å; Y167-G196 WeakPolarHBondContact CE1-O 3.31Å; Y167-G196 PolarHBondContact O-N 2.83Å; Y167-S197 PolarHBondContact OH-O 3.43Å; Y167-Y198 HydrophobicContact CD1-CD1 4.09Å; Y167-Y198 AromaticContact CE1-CD1 3.99Å; Y167-Y198 HydrophobicContact CE1-CD1 3.99Å; Y167-Y198 HydrophobicContact CE1-CG 4.42Å
168	W	80.7	Confident	81.3	Confident	20 Å²	20	66.2 Å²	66.2	8%	0.076	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.6	175.3	-72.6	-99.9	0	0	0	109.7	Q166 L174 Y175 Q177 L180 L195	Q166-W168 HydrophobicContact CB-CH2 4.31Å; Q166-W168 HydrophobicContact CB-CZ3 4.2Å; W168-L174 CarbonylContact O-C 3.57Å; W168-L174 WeakPolarHBondContact O-CA 3.47Å; W168-Y175 PolarHBondContact N-O 2.87Å; W168-Y175 PolarHBondContact O-N 3.4Å; W168-Q177 HydrophobicContact CE3-CB 4.2Å; W168-Q177 HydrophobicContact CH2-CB 3.54Å; W168-Q177 HydrophobicContact CH2-CG 3.81Å; W168-Q177 HydrophobicContact CZ2-CB 4.2Å; W168-Q177 HydrophobicContact CZ2-CG 4.03Å; W168-Q177 HydrophobicContact CZ3-CB 3.54Å; W168-Q177 HydrophobicContact CZ3-CG 4.29Å; W168-L180 HydrophobicContact CB-CD1 3.52Å; W168-L180 HydrophobicContact CB-CD2 4.18Å; W168-L180 HydrophobicContact CB-CG 4.41Å; W168-L180 HydrophobicContact CD2-CD2 4.03Å; W168-L180 HydrophobicContact CG-CD1 3.92Å; W168-L180 HydrophobicContact CG-CD2 3.6Å; W168-L180 HydrophobicContact CG-CG 4.33Å; W168-L195 HydrophobicContact CH2-CD1 3.67Å; W168-L195 HydrophobicContact CZ2-CD1 3.34Å; W168-L195 HydrophobicContact CZ3-CD1 4.39Å
169	Q	76.4	Confident	81	Confident	39 Å²	39	64.6 Å²	64.6	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.8	-180	-171	-171.7	22.1	0	0	110.6	I144 Q173	I144-Q169 HydrophobicContact CD1-CG 4.25Å; I144-Q169 HydrophobicContact CG2-CB 4.47Å; I144-Q169 HydrophobicContact CG2-CG 4.21Å; I144-Q169 VanDerWaalsContact CG2-OE1 3.31Å; Q169-Q173 WeakPolarHBondContact CA-O 3.36Å
170	C	73.7	Confident	80.3	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.061	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.2	167.2	-171.9	0	0	0	0	109	G172 Q173 Y175 V183	C170-G172 PolarHBondContact O-N 2.83Å; C170-G172 VanDerWaalsContact O-N 3.1Å; C170-Q173 PolarHBondContact N-O 3.37Å; C170-Q173 VanDerWaalsContact N-O 3.12Å; C170-Q173 PolarHBondContact O-N 3.07Å; C170-Y175 HydrophobicContact CB-CD2 4.04Å; C170-Y175 HydrophobicContact CB-CE2 3.75Å; C170-V183 HydrophobicContact CB-CG1 4.43Å
171	R	74.7	Confident	79.7	Confident	162 Å²	162	58.3 Å²	58.3	61%	0.611	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	39.4	-179.2	-62.4	-175.4	173.9	-164	-0.5	114.8	Q173 L190	R171-Q173 PolarHBondContact O-N 2.85Å; R171-L190 VanDerWaalsContact NH2-CD1 3.3Å
172	G	74.8	Confident	79.3	Confident	22 Å²	22	56 Å²	56	23%	0.227	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	1.8	179.1	0	0	0	0	0	115.5	K146 C170	K146-G172 PolarHBondContact NZ-O 3.3Å; C170-G172 PolarHBondContact O-N 2.83Å; C170-G172 VanDerWaalsContact O-N 3.1Å
173	Q	83.1	Confident	78.9	Confident	93 Å²	93	55.8 Å²	55.8	44%	0.435	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	161.9	175.6	-60.4	-173	4.4	0	0	110.9	Q169 C170 R171 Y175	Q169-Q173 WeakPolarHBondContact CA-O 3.36Å; C170-Q173 PolarHBondContact N-O 3.37Å; C170-Q173 VanDerWaalsContact N-O 3.12Å; C170-Q173 PolarHBondContact O-N 3.07Å; R171-Q173 PolarHBondContact O-N 2.85Å; Q173-Y175 HydrophobicContact CB-CE2 3.72Å; Q173-Y175 PolarHBondContact OE1-OH 3.45Å
174	L	85.9	Confident	78.8	Confident	6 Å²	6	50 Å²	50	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132	-170.6	-53.1	174	0	0	0	110.6	I144 F148 F153 C155 T156 F162 Y167 W168	I144-L174 HydrophobicContact CD1-CD2 3.68Å; I144-L174 HydrophobicContact CD1-CG 4.49Å; I144-L174 HydrophobicContact CG1-CD2 4.28Å; F148-L174 HydrophobicContact CE1-CD1 4.09Å; F148-L174 HydrophobicContact CE2-CD1 4.11Å; F148-L174 HydrophobicContact CZ-CD1 3.81Å; F153-L174 HydrophobicContact CD2-CD1 3.64Å; F153-L174 HydrophobicContact CE2-CD1 3.36Å; F153-L174 HydrophobicContact CZ-CD1 4.27Å; C155-L174 WeakPolarHBondContact CA-O 3.34Å; T156-L174 PolarHBondContact N-O 3.48Å; T156-L174 PolarHBondContact OG1-N 2.9Å; T156-L174 PolarHBondContact OG1-O 2.94Å; T156-L174 VanDerWaalsContact OG1-O 3.12Å; F162-L174 HydrophobicContact CE2-CB 4.02Å; F162-L174 HydrophobicContact CE2-CD1 4.14Å; F162-L174 HydrophobicContact CZ-CB 3.52Å; F162-L174 HydrophobicContact CZ-CD1 4.47Å; Y167-L174 HydrophobicContact CD2-CD2 3.52Å; Y167-L174 HydrophobicContact CE2-CD2 3.63Å; Y167-L174 HydrophobicContact CG-CD2 4.45Å; W168-L174 CarbonylContact O-C 3.57Å; W168-L174 WeakPolarHBondContact O-CA 3.47Å
175	Y	85.6	Confident	79.1	Confident	13 Å²	13	50.4 Å²	50.4	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.9	-176.8	-56.9	-81.7	0	0	0	112.1	K157 F162 W168 C170 Q173 V183	K157-Y175 HydrophobicContact CB-CD1 4.29Å; K157-Y175 HydrophobicContact CB-CE1 4.38Å; F162-Y175 WeakPolarHBondContact CE1-O 3.24Å; W168-Y175 PolarHBondContact N-O 2.87Å; W168-Y175 PolarHBondContact O-N 3.4Å; C170-Y175 HydrophobicContact CB-CD2 4.04Å; C170-Y175 HydrophobicContact CB-CE2 3.75Å; Q173-Y175 HydrophobicContact CB-CE2 3.72Å; Q173-Y175 PolarHBondContact OE1-OH 3.45Å; Y175-V183 HydrophobicContact CD1-CG2 3.8Å; Y175-V183 HydrophobicContact CD2-CG1 4.39Å; Y175-V183 HydrophobicContact CE1-CG1 4.18Å; Y175-V183 HydrophobicContact CE1-CG2 3.74Å; Y175-V183 HydrophobicContact CE2-CG1 4.01Å; Y175-V183 HydrophobicContact CG-CG2 4.4Å
176	C	86.9	Confident	79.4	Confident	20 Å²	20	58.1 Å²	58.1	14%	0.135	29%	0.29	C	S	.	.			trans	-80.8	164.9	170.9	69.2	0	0	0	0	110	C155 F162 A178 D179 L180	C155-C176 HydrophobicContact CB-CB 4.13Å; C155-C176 PolarHBondContact SG-N 3.39Å; C155-C176 VanDerWaalsContact SG-N 3.41Å; F162-C176 HydrophobicContact CD1-CB 4.41Å; F162-C176 HydrophobicContact CE1-CB 4.44Å; C176-A178 VanDerWaalsContact C-N 3.26Å; C176-A178 PolarHBondContact O-N 3.07Å; C176-D179 PolarHBondContact O-N 3.43Å; C176-D179 PolarHBondContact SG-OD2 2.99Å; C176-L180 PolarHBondContact O-N 3.01Å; C176-L180 VanDerWaalsContact O-N 3.14Å
177	Q	82.4	Confident	79.2	Confident	120 Å²	120	57.3 Å²	57.3	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-56.9	-40.3	-179.3	-166.5	176.4	-10.8	0	0	112.8	W168 L180	W168-Q177 HydrophobicContact CE3-CB 4.2Å; W168-Q177 HydrophobicContact CH2-CB 3.54Å; W168-Q177 HydrophobicContact CH2-CG 3.81Å; W168-Q177 HydrophobicContact CZ2-CB 4.2Å; W168-Q177 HydrophobicContact CZ2-CG 4.03Å; W168-Q177 HydrophobicContact CZ3-CB 3.54Å; W168-Q177 HydrophobicContact CZ3-CG 4.29Å; Q177-L180 VanDerWaalsContact O-CB 3.29Å; Q177-L180 WeakPolarHBondContact O-CB 3.34Å; Q177-L180 PolarHBondContact O-N 2.92Å
178	A	85.1	Confident	78.5	Confident	88 Å²	88	64.3 Å²	64.3	73%	0.727	32%	0.323	S	S	*	.	H	α-helix	trans	-65.4	-40.6	-176.6	0	0	0	0	0	112.4	C176 L180	C176-A178 VanDerWaalsContact C-N 3.26Å; C176-A178 PolarHBondContact O-N 3.07Å; A178-L180 VanDerWaalsContact C-N 3.35Å
179	D	87	Confident	77.3	Confident	19 Å²	19	66.8 Å²	66.8	10%	0.102	36%	0.355	C	S	.	.	H	α-helix	trans	-81.4	-17.7	-179.4	-78.7	-38.2	0	0	0	113.4	C155 K157 C158 C176 A181 E182 V183	C155-D179 PolarHBondContact SG-OD2 3.35Å; K157-D179 HydrophobicContact CB-CB 4.19Å; K157-D179 HydrophobicContact CD-CB 4Å; K157-D179 IonicContact NZ-OD1 2.81Å; K157-D179 PolarHBondContact NZ-OD1 3.12Å; C158-D179 WeakPolarHBondContact CB-OD2 3.37Å; C158-D179 PolarHBondContact N-OD2 2.97Å; C158-D179 VanDerWaalsContact N-OD2 3.17Å; C158-D179 PolarHBondContact SG-OD2 3.33Å; C176-D179 PolarHBondContact O-N 3.43Å; C176-D179 PolarHBondContact SG-OD2 2.99Å; D179-A181 VanDerWaalsContact C-N 3.35Å; D179-A181 PolarHBondContact O-N 3.4Å; D179-E182 PolarHBondContact O-N 2.74Å; D179-V183 WeakPolarHBondContact O-CG2 3.34Å; D179-V183 PolarHBondContact O-N 2.99Å; D179-V183 VanDerWaalsContact O-N 3.15Å
180	L	78.6	Confident	76.2	Confident	9 Å²	9	70 Å²	70	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-56.3	-46.5	-174.7	-172.6	65.3	0	0	0	112.8	W168 C176 Q177 A178 E182 V183 M184 M192	W168-L180 HydrophobicContact CB-CD1 3.52Å; W168-L180 HydrophobicContact CB-CD2 4.18Å; W168-L180 HydrophobicContact CB-CG 4.41Å; W168-L180 HydrophobicContact CD2-CD2 4.03Å; W168-L180 HydrophobicContact CG-CD1 3.92Å; W168-L180 HydrophobicContact CG-CD2 3.6Å; W168-L180 HydrophobicContact CG-CG 4.33Å; C176-L180 PolarHBondContact O-N 3.01Å; C176-L180 VanDerWaalsContact O-N 3.14Å; Q177-L180 VanDerWaalsContact O-CB 3.29Å; Q177-L180 WeakPolarHBondContact O-CB 3.34Å; Q177-L180 PolarHBondContact O-N 2.92Å; A178-L180 VanDerWaalsContact C-N 3.35Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3Å; L180-V183 PolarHBondContact O-N 2.72Å; L180-M184 HydrophobicContact CD1-CE 4.13Å; L180-M184 HydrophobicContact CD2-CE 3.8Å; L180-M184 HydrophobicContact CG-CE 3.75Å; L180-M184 HydrophobicContact CG-CG 4.42Å; L180-M184 HydrophobicContact CG-SD 4.26Å; L180-M184 VanDerWaalsContact O-CG 3.32Å; L180-M184 WeakPolarHBondContact O-CG 3.47Å; L180-M184 PolarHBondContact O-N 3.25Å; L180-M192 HydrophobicContact CD1-CE 4.1Å; L180-M192 HydrophobicContact CD1-SD 3.49Å; L180-M192 WeakPolarHBondContact CD1-SD 2.92Å; L180-M192 HydrophobicContact CD2-CE 4.12Å; L180-M192 HydrophobicContact CG-SD 4.3Å
181	A	78.7	Confident	75.3	Confident	36 Å²	36	74.7 Å²	74.7	30%	0.298	41%	0.406	S	S	.	.	H	α-helix	trans	-58.1	-46.4	-177.1	0	0	0	0	0	111.7	D179 M184 L185 F230	D179-A181 VanDerWaalsContact C-N 3.35Å; D179-A181 PolarHBondContact O-N 3.4Å; A181-M184 PolarHBondContact O-N 3.42Å; A181-L185 WeakPolarHBondContact O-CG 3.16Å; A181-L185 PolarHBondContact O-N 3.2Å; A181-F230 HydrophobicContact CB-CE2 4.36Å; A181-F230 HydrophobicContact CB-CZ 3.68Å
182	E	79.2	Confident	74.2	Confident	119 Å²	119	69.2 Å²	69.2	56%	0.556	39%	0.388	S	S	*	.	H	α-helix	trans	-67.9	-39.3	179.9	-165.9	-175.3	128.5	0	0	111.8	K157 D179 L180 L185 R186	K157-E182 VanDerWaalsContact CE-CD 3.45Å; K157-E182 WeakPolarHBondContact CE-OE1 3.27Å; K157-E182 WeakPolarHBondContact CE-OE2 3.43Å; K157-E182 IonicContact NZ-OE1 3.23Å; K157-E182 PolarHBondContact NZ-OE1 3.14Å; K157-E182 IonicContact NZ-OE2 2.59Å; K157-E182 PolarHBondContact NZ-OE2 2.85Å; D179-E182 PolarHBondContact O-N 2.74Å; L180-E182 VanDerWaalsContact C-N 3.34Å; L180-E182 PolarHBondContact O-N 3Å; E182-L185 PolarHBondContact O-N 3.48Å; E182-R186 PolarHBondContact O-N 3.21Å
183	V	77.3	Confident	73.2	Confident	13 Å²	13	75.6 Å²	75.6	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-66.8	-38.6	178	175.5	0	0	0	0	111.3	K157 C170 Y175 D179 L180 R186 F187	K157-V183 HydrophobicContact CD-CG2 4.1Å; C170-V183 HydrophobicContact CB-CG1 4.43Å; Y175-V183 HydrophobicContact CD1-CG2 3.8Å; Y175-V183 HydrophobicContact CD2-CG1 4.39Å; Y175-V183 HydrophobicContact CE1-CG1 4.18Å; Y175-V183 HydrophobicContact CE1-CG2 3.74Å; Y175-V183 HydrophobicContact CE2-CG1 4.01Å; Y175-V183 HydrophobicContact CG-CG2 4.4Å; D179-V183 WeakPolarHBondContact O-CG2 3.34Å; D179-V183 PolarHBondContact O-N 2.99Å; D179-V183 VanDerWaalsContact O-N 3.15Å; L180-V183 PolarHBondContact O-N 2.72Å; V183-R186 PolarHBondContact O-N 3.08Å; V183-F187 HydrophobicContact CG1-CD2 3.74Å; V183-F187 HydrophobicContact CG1-CE2 3.64Å; V183-F187 WeakPolarHBondContact O-CD2 3.15Å; V183-F187 PolarHBondContact O-N 3.37Å
184	M	72.2	Confident	71.8	Confident	33 Å²	33	73.5 Å²	73.5	16%	0.163	41%	0.413	C	S	.	.	H	α-helix	trans	-61.4	-45.9	176.2	-77	178.5	171.1	0	0	112.3	L180 A181 R186 F187 M192 F230	L180-M184 HydrophobicContact CD1-CE 4.13Å; L180-M184 HydrophobicContact CD2-CE 3.8Å; L180-M184 HydrophobicContact CG-CE 3.75Å; L180-M184 HydrophobicContact CG-CG 4.42Å; L180-M184 HydrophobicContact CG-SD 4.26Å; L180-M184 VanDerWaalsContact O-CG 3.32Å; L180-M184 WeakPolarHBondContact O-CG 3.47Å; L180-M184 PolarHBondContact O-N 3.25Å; A181-M184 PolarHBondContact O-N 3.42Å; M184-R186 PolarHBondContact O-N 3.02Å; M184-F187 PolarHBondContact O-N 3.38Å; M184-F187 VanDerWaalsContact O-N 3.12Å; M184-M192 HydrophobicContact CE-CE 3.16Å; M184-M192 HydrophobicContact CE-CG 3.91Å; M184-M192 HydrophobicContact CE-SD 3.21Å; M184-M192 WeakPolarHBondContact CE-SD 2.97Å; M184-M192 HydrophobicContact CG-SD 4.29Å; M184-F230 HydrophobicContact SD-CD1 3.98Å; M184-F230 HydrophobicContact SD-CE1 3.65Å
185	L	76.7	Confident	70.5	Confident	121 Å²	121	77.7 Å²	77.7	63%	0.634	43%	0.434	S	S	*	.	H	α-helix	trans	-59.4	-35.5	178.8	-70	172.8	0	0	0	111.6	A181 E182 F187	A181-L185 WeakPolarHBondContact O-CG 3.16Å; A181-L185 PolarHBondContact O-N 3.2Å; E182-L185 PolarHBondContact O-N 3.48Å; L185-F187 VanDerWaalsContact C-N 3.31Å; L185-F187 PolarHBondContact O-N 3.36Å
186	R	73.9	Confident	69.3	Low	208 Å²	208	77.8 Å²	77.8	79%	0.785	44%	0.44	S	S	*	.	H	α-helix	trans	-71.1	-22.5	179.4	-167.1	173.1	-178.1	176.9	2	114.1	E182 V183 M184	E182-R186 PolarHBondContact O-N 3.21Å; V183-R186 PolarHBondContact O-N 3.08Å; M184-R186 PolarHBondContact O-N 3.02Å
187	F	69.7	Low	68.2	Low	49 Å²	49	81.3 Å²	81.3	22%	0.215	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	19.5	-172.5	-68.8	-56.3	0	0	0	114.7	V183 M184 L185 G189 L190	V183-F187 HydrophobicContact CG1-CD2 3.74Å; V183-F187 HydrophobicContact CG1-CE2 3.64Å; V183-F187 WeakPolarHBondContact O-CD2 3.15Å; V183-F187 PolarHBondContact O-N 3.37Å; M184-F187 PolarHBondContact O-N 3.38Å; M184-F187 VanDerWaalsContact O-N 3.12Å; L185-F187 VanDerWaalsContact C-N 3.31Å; L185-F187 PolarHBondContact O-N 3.36Å; F187-G189 PolarHBondContact O-N 3.29Å; F187-L190 PolarHBondContact O-N 3.22Å
188	N	66.7	Low	67.4	Low	151 Å²	151	76.6 Å²	76.6	81%	0.807	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	51	171.1	-70.3	-6.4	0	0	0	114.1	L190	N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.5Å
189	G	54.7	Low	66.5	Low	72 Å²	72	73.3 Å²	73.3	74%	0.742	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	11.1	168.6	0	0	0	0	0	116.5	F187	F187-G189 PolarHBondContact O-N 3.29Å
190	L	53.1	Low	65.6	Low	108 Å²	108	74.6 Å²	74.6	57%	0.565	42%	0.419	S	S	*	.			trans	-67	138.1	178.1	-81.1	160.2	0	0	0	113.2	R171 F187 N188 M192	R171-L190 VanDerWaalsContact NH2-CD1 3.3Å; F187-L190 PolarHBondContact O-N 3.22Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.5Å; L190-M192 PolarHBondContact O-N 3.27Å; L190-M192 VanDerWaalsContact O-N 3.17Å
191	S	56.1	Low	65	Low	107 Å²	107	74.6 Å²	74.6	75%	0.748	42%	0.419	S	S	*	.			trans	-36.8	106.8	-176.7	166.4	0	0	0	0	114.8
192	M	51.8	Low	64.2	Low	47 Å²	47	73.7 Å²	73.7	23%	0.232	41%	0.409	C	S	.	.			trans	-77	140.1	161.7	-72.5	-134.8	-40.3	0	0	111.7	L180 M184 L190	L180-M192 HydrophobicContact CD1-CE 4.1Å; L180-M192 HydrophobicContact CD1-SD 3.49Å; L180-M192 WeakPolarHBondContact CD1-SD 2.92Å; L180-M192 HydrophobicContact CD2-CE 4.12Å; L180-M192 HydrophobicContact CG-SD 4.3Å; M184-M192 HydrophobicContact CE-CE 3.16Å; M184-M192 HydrophobicContact CE-CG 3.91Å; M184-M192 HydrophobicContact CE-SD 3.21Å; M184-M192 WeakPolarHBondContact CE-SD 2.97Å; M184-M192 HydrophobicContact CG-SD 4.29Å; L190-M192 PolarHBondContact O-N 3.27Å; L190-M192 VanDerWaalsContact O-N 3.17Å
193	K	53.4	Low	63.3	Low	155 Å²	155	69.7 Å²	69.7	67%	0.674	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.7	154.6	-66.5	-172.6	178.4	-176.9	0	106.1
194	G	53.4	Low	62.4	Low	50 Å²	50	72.7 Å²	72.7	52%	0.515	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-172.5	-172.7	0	0	0	0	0	114.4	G196	G194-G196 PolarHBondContact O-N 2.71Å
195	L	58.8	Low	61.5	Low	93 Å²	93	77.8 Å²	77.8	49%	0.487	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-31	106.6	-177.9	-161.6	102.5	0	0	0	112.4	Q166 W168	Q166-L195 HydrophobicContact CB-CD1 4.06Å; Q166-L195 HydrophobicContact CG-CD1 3.93Å; Q166-L195 HydrophobicContact CG-CD2 4.08Å; Q166-L195 HydrophobicContact CG-CG 4.23Å; W168-L195 HydrophobicContact CH2-CD1 3.67Å; W168-L195 HydrophobicContact CZ2-CD1 3.34Å; W168-L195 HydrophobicContact CZ3-CD1 4.39Å
196	G	59.8	Low	60.3	Low	16 Å²	16	78.1 Å²	78.1	17%	0.165	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.9	179.8	0	0	0	0	0	110.3	Y167 G194	Y167-G196 WeakPolarHBondContact CD1-O 3.48Å; Y167-G196 VanDerWaalsContact CE1-C 3.42Å; Y167-G196 WeakPolarHBondContact CE1-O 3.31Å; Y167-G196 PolarHBondContact O-N 2.83Å; G194-G196 PolarHBondContact O-N 2.71Å
197	S	64.2	Low	59.4	Low	94 Å²	94	75.1 Å²	75.1	66%	0.657	42%	0.416	S	S	*	.			trans	-90.1	147.6	161.8	58.3	0	0	0	0	109.4	Y167	Y167-S197 PolarHBondContact OH-O 3.43Å
198	Y	65.8	Low	58.3	Low	21 Å²	21	79.1 Å²	79.1	8%	0.082	44%	0.44	C	S	.	.			trans	-115.7	160.5	169	69.1	-97	0	0	0	109.4	M141 A142 F153 N165 Y167 I200	M141-Y198 HydrophobicContact CE-CE2 4.34Å; M141-Y198 HydrophobicContact SD-CD2 3.78Å; M141-Y198 HydrophobicContact SD-CE2 3.47Å; M141-Y198 WeakPolarHBondContact SD-CE2 3.31Å; A142-Y198 WeakPolarHBondContact O-CA 3.39Å; F153-Y198 HydrophobicContact CD1-CD1 4.46Å; F153-Y198 HydrophobicContact CD1-CE1 4.46Å; F153-Y198 AromaticContact CE1-CD1 3.41Å; F153-Y198 HydrophobicContact CE1-CD1 3.41Å; F153-Y198 VanDerWaalsContact CE1-CD1 3.41Å; F153-Y198 HydrophobicContact CE1-CD2 4.48Å; F153-Y198 AromaticContact CE1-CE1 3.68Å; F153-Y198 HydrophobicContact CE1-CE1 3.68Å; F153-Y198 AromaticContact CE1-CG 3.82Å; F153-Y198 HydrophobicContact CE1-CG 3.82Å; F153-Y198 AromaticContact CZ-CD1 3.77Å; F153-Y198 HydrophobicContact CZ-CD1 3.77Å; F153-Y198 HydrophobicContact CZ-CE1 4.48Å; F153-Y198 AromaticContact CZ-CG 3.96Å; F153-Y198 HydrophobicContact CZ-CG 3.96Å; N165-Y198 VanDerWaalsContact CA-CE1 3.44Å; N165-Y198 HydrophobicContact CB-CD1 4.26Å; N165-Y198 HydrophobicContact CB-CE1 3.36Å; N165-Y198 PolarHBondContact OD1-OH 3.46Å; Y167-Y198 HydrophobicContact CD1-CD1 4.09Å; Y167-Y198 AromaticContact CE1-CD1 3.99Å; Y167-Y198 HydrophobicContact CE1-CD1 3.99Å; Y167-Y198 HydrophobicContact CE1-CG 4.42Å; Y198-I200 HydrophobicContact CD2-CG1 4.39Å; Y198-I200 HydrophobicContact CE2-CD1 4.48Å; Y198-I200 HydrophobicContact CE2-CG1 3.87Å
199	V	65	Low	57.4	Low	18 Å²	18	79.2 Å²	79.2	11%	0.109	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.2	172	-64.4	0	0	0	0	109	A142 I201 R214 F216	A142-V199 HydrophobicContact CB-CG2 3.92Å; A142-V199 PolarHBondContact N-O 2.79Å; A142-V199 PolarHBondContact O-N 3.34Å; V199-I201 HydrophobicContact CB-CD1 4.43Å; V199-I201 HydrophobicContact CG2-CD1 3.56Å; V199-I201 HydrophobicContact CG2-CG1 4.32Å; V199-R214 HydrophobicContact CG2-CG 4.39Å; V199-F216 HydrophobicContact CG1-CD1 3.45Å; V199-F216 VanDerWaalsContact CG1-CD1 3.45Å; V199-F216 HydrophobicContact CG1-CE1 3.5Å; V199-F216 HydrophobicContact CG1-CG 4.14Å; V199-F216 HydrophobicContact CG1-CZ 4.24Å
200	I	68.8	Low	57.1	Low	47 Å²	47	77.1 Å²	77.1	24%	0.241	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.4	166.3	-55.4	178.6	0	0	0	106	H139 M141 Y198 T215	H139-I200 HydrophobicContact CB-CG2 4.18Å; M141-I200 HydrophobicContact CE-CD1 4.34Å; M141-I200 HydrophobicContact CE-CG1 4.24Å; M141-I200 HydrophobicContact SD-CG1 3.8Å; Y198-I200 HydrophobicContact CD2-CG1 4.39Å; Y198-I200 HydrophobicContact CE2-CD1 4.48Å; Y198-I200 HydrophobicContact CE2-CG1 3.87Å; I200-T215 PolarHBondContact N-O 3.3Å; I200-T215 PolarHBondContact O-N 2.83Å; I200-T215 PolarHBondContact O-OG1 3.35Å
201	I	65.1	Low	57.2	Low	9 Å²	9	75.3 Å²	75.3	5%	0.046	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.9	174.3	-54.4	-57.9	0	0	0	108.1	H139 F140 A142 V199 L212 S213 R214	H139-I201 VanDerWaalsContact CA-O 3.26Å; H139-I201 WeakPolarHBondContact CA-O 3.47Å; F140-I201 HydrophobicContact CD1-CB 3.97Å; F140-I201 HydrophobicContact CD1-CG2 4.21Å; F140-I201 HydrophobicContact CD2-CB 4.11Å; F140-I201 HydrophobicContact CD2-CG1 4.21Å; F140-I201 HydrophobicContact CE1-CB 3.56Å; F140-I201 HydrophobicContact CE1-CG1 4.38Å; F140-I201 HydrophobicContact CE1-CG2 3.38Å; F140-I201 HydrophobicContact CE2-CB 3.72Å; F140-I201 HydrophobicContact CE2-CG1 3.64Å; F140-I201 HydrophobicContact CE2-CG2 4.14Å; F140-I201 HydrophobicContact CG-CB 4.23Å; F140-I201 HydrophobicContact CZ-CB 3.44Å; F140-I201 VanDerWaalsContact CZ-CB 3.44Å; F140-I201 HydrophobicContact CZ-CG1 3.75Å; F140-I201 HydrophobicContact CZ-CG2 3.35Å; F140-I201 PolarHBondContact N-O 2.82Å; F140-I201 PolarHBondContact O-N 3.01Å; A142-I201 HydrophobicContact CB-CD1 4.09Å; A142-I201 HydrophobicContact CB-CG1 3.58Å; V199-I201 HydrophobicContact CB-CD1 4.43Å; V199-I201 HydrophobicContact CG2-CD1 3.56Å; V199-I201 HydrophobicContact CG2-CG1 4.32Å; I201-L212 HydrophobicContact CG2-CB 3.95Å; I201-L212 HydrophobicContact CG2-CD1 4.09Å; I201-L212 HydrophobicContact CG2-CD2 3.75Å; I201-L212 HydrophobicContact CG2-CG 4.14Å; I201-S213 WeakPolarHBondContact CA-O 3.38Å; I201-R214 HydrophobicContact CD1-CB 4.49Å; I201-R214 HydrophobicContact CD1-CG 3.47Å; I201-R214 VanDerWaalsContact CD1-CG 3.47Å
202	N	62.3	Low	57.3	Low	17 Å²	17	73.5 Å²	73.5	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.1	176.6	-40.5	-67.1	0	0	0	109.8	K138 H139 Q204 S213 T215	K138-N202 WeakPolarHBondContact O-CA 3.41Å; H139-N202 PolarHBondContact CD2-OD1 2.77Å; N202-Q204 HydrophobicContact CB-CG 4.2Å; N202-Q204 PolarHBondContact O-N 2.98Å; N202-S213 WeakPolarHBondContact CB-OG 3.46Å; N202-S213 PolarHBondContact N-O 2.99Å; N202-S213 PolarHBondContact ND2-OG 2.93Å; N202-S213 PolarHBondContact O-N 2.88Å; N202-S213 PolarHBondContact O-OG 3.46Å; N202-T215 WeakPolarHBondContact ND2-CG2 3.47Å; N202-T215 PolarHBondContact ND2-OG1 2.69Å
203	F	59.9	Low	57.8	Low	35 Å²	35	72.2 Å²	72.2	15%	0.154	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	119	164.8	-75.4	-84.9	0	0	0	109.4	I121 H125 K138 F140 L212	I121-F203 HydrophobicContact CG2-CE1 4.42Å; H125-F203 AromaticContact ND1-CZ 3.86Å; K138-F203 PolarHBondContact O-N 3.49Å; F140-F203 HydrophobicContact CD1-CD2 4.24Å; F140-F203 AromaticContact CD1-CE2 3.73Å; F140-F203 HydrophobicContact CD1-CE2 3.73Å; F140-F203 HydrophobicContact CE1-CD2 4.07Å; F140-F203 AromaticContact CE1-CE2 3.42Å; F140-F203 HydrophobicContact CE1-CE2 3.42Å; F140-F203 VanDerWaalsContact CE1-CE2 3.42Å; F140-F203 AromaticContact CE1-CZ 3.97Å; F140-F203 HydrophobicContact CE1-CZ 3.97Å; F203-L212 HydrophobicContact CB-CD2 4.45Å; F203-L212 HydrophobicContact CD1-CD2 3.3Å; F203-L212 HydrophobicContact CD2-CD2 4.11Å; F203-L212 HydrophobicContact CE1-CD2 3.39Å; F203-L212 HydrophobicContact CE1-CG 4.44Å; F203-L212 HydrophobicContact CE2-CD2 4.2Å; F203-L212 HydrophobicContact CG-CD2 3.68Å; F203-L212 HydrophobicContact CZ-CD2 3.85Å
204	Q	59.9	Low	58	Low	75 Å²	75	72 Å²	72	35%	0.35	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.8	-178.4	-67.1	-169	-18.8	0	0	111.1	N202 P210 Y211 S213	N202-Q204 HydrophobicContact CB-CG 4.2Å; N202-Q204 PolarHBondContact O-N 2.98Å; Q204-P210 CarbonylContact O-C 3.54Å; Q204-P210 VanDerWaalsContact O-CA 3.31Å; Q204-P210 WeakPolarHBondContact O-CA 3.42Å; Q204-Y211 HydrophobicContact CB-CD1 4.04Å; Q204-Y211 HydrophobicContact CB-CE1 3.53Å; Q204-Y211 HydrophobicContact CB-CE2 4.29Å; Q204-Y211 PolarHBondContact N-O 2.89Å; Q204-Y211 PolarHBondContact O-N 3.06Å; Q204-Y211 VanDerWaalsContact O-O 3.09Å; Q204-Y211 VanDerWaalsContact OE1-CZ 3.25Å; Q204-Y211 PolarHBondContact OE1-OH 3.47Å; Q204-S213 PolarHBondContact NE2-OG 2.81Å; Q204-S213 PolarHBondContact OE1-OG 3.4Å
205	R	53.4	Low	58.2	Low	140 Å²	140	72.8 Å²	72.8	53%	0.528	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.6	173.3	-66.9	-175.9	179.8	-163.4	-1.1	109.5	D118 K209	D118-R205 IonicContact OD1-CZ 3.22Å; D118-R205 VanDerWaalsContact OD1-CZ 3.22Å; D118-R205 IonicContact OD1-NE 3.74Å; D118-R205 IonicContact OD1-NH1 3.62Å; D118-R205 IonicContact OD1-NH2 3.02Å; D118-R205 PolarHBondContact OD1-NH2 3.34Å; D118-R205 IonicContact OD2-CZ 3.63Å; D118-R205 IonicContact OD2-NH1 3.42Å; D118-R205 PolarHBondContact OD2-NH1 2.83Å; D118-R205 IonicContact OD2-NH2 3.25Å; D118-R205 PolarHBondContact OD2-NH2 3.06Å; R205-K209 WeakPolarHBondContact CA-O 3.41Å
206	K	51.4	Low	57.9	Low	129 Å²	129	73.8 Å²	73.8	56%	0.561	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.2	167.5	-174.7	172.9	-176.4	175.5	0	107.6	N208 K209 Y211	K206-N208 VanDerWaalsContact C-N 3.28Å; K206-N208 PolarHBondContact O-N 2.97Å; K206-K209 PolarHBondContact N-O 3.03Å; K206-K209 PolarHBondContact O-N 3.3Å; K206-Y211 HydrophobicContact CB-CD1 4.09Å; K206-Y211 HydrophobicContact CB-CE1 3.65Å
207	N	53.1	Low	57.3	Low	144 Å²	144	75 Å²	75	77%	0.77	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	47.2	-175.4	-55.2	-8.1	0	0	0	112	K209	N207-K209 PolarHBondContact O-N 3.41Å
208	N	47	Very low	56	Low	133 Å²	133	79.1 Å²	79.1	71%	0.711	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	4.1	-174.3	-71.5	-12.8	0	0	0	116.8	K206	K206-N208 VanDerWaalsContact C-N 3.28Å; K206-N208 PolarHBondContact O-N 2.97Å
209	K	47.5	Very low	54.6	Low	154 Å²	154	82 Å²	82	67%	0.67	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.8	173	-65.4	-175.9	-179.8	-177	0	109.5	R205 K206 N207	R205-K209 WeakPolarHBondContact CA-O 3.41Å; K206-K209 PolarHBondContact N-O 3.03Å; K206-K209 PolarHBondContact O-N 3.3Å; N207-K209 PolarHBondContact O-N 3.41Å
210	P	49.7	Very low	53	Low	28 Å²	28	86.6 Å²	86.6	18%	0.182	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.6	177.5	-15.7	31.4	0	0	0	110.8	T117 I121 Q204	T117-P210 HydrophobicContact CG2-CG 4.26Å; I121-P210 HydrophobicContact CD1-CB 3.74Å; I121-P210 HydrophobicContact CD1-CG 3.55Å; I121-P210 HydrophobicContact CG2-CB 4.14Å; Q204-P210 CarbonylContact O-C 3.54Å; Q204-P210 VanDerWaalsContact O-CA 3.31Å; Q204-P210 WeakPolarHBondContact O-CA 3.42Å
211	Y	55.6	Low	51.1	Low	70 Å²	70	92.5 Å²	92.5	28%	0.275	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.8	173.7	75	-76.1	0	0	0	110.6	Q204 K206	Q204-Y211 HydrophobicContact CB-CD1 4.04Å; Q204-Y211 HydrophobicContact CB-CE1 3.53Å; Q204-Y211 HydrophobicContact CB-CE2 4.29Å; Q204-Y211 PolarHBondContact N-O 2.89Å; Q204-Y211 PolarHBondContact O-N 3.06Å; Q204-Y211 VanDerWaalsContact O-O 3.09Å; Q204-Y211 VanDerWaalsContact OE1-CZ 3.25Å; Q204-Y211 PolarHBondContact OE1-OH 3.47Å; K206-Y211 HydrophobicContact CB-CD1 4.09Å; K206-Y211 HydrophobicContact CB-CE1 3.65Å
212	L	57.9	Low	49.5	Very low	69 Å²	69	99.8 Å²	99.8	36%	0.361	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.6	173	-64.7	-179.9	0	0	0	109.4	F140 I201 F203	F140-L212 HydrophobicContact CE1-CD2 4.44Å; I201-L212 HydrophobicContact CG2-CB 3.95Å; I201-L212 HydrophobicContact CG2-CD1 4.09Å; I201-L212 HydrophobicContact CG2-CD2 3.75Å; I201-L212 HydrophobicContact CG2-CG 4.14Å; F203-L212 HydrophobicContact CB-CD2 4.45Å; F203-L212 HydrophobicContact CD1-CD2 3.3Å; F203-L212 HydrophobicContact CD2-CD2 4.11Å; F203-L212 HydrophobicContact CE1-CD2 3.39Å; F203-L212 HydrophobicContact CE1-CG 4.44Å; F203-L212 HydrophobicContact CE2-CD2 4.2Å; F203-L212 HydrophobicContact CG-CD2 3.68Å; F203-L212 HydrophobicContact CZ-CD2 3.85Å
213	S	61.4	Low	48	Very low	20 Å²	20	106.4 Å²	106.4	14%	0.14	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.7	168.7	70.1	0	0	0	0	109.8	I201 N202 Q204	I201-S213 WeakPolarHBondContact CA-O 3.38Å; N202-S213 WeakPolarHBondContact CB-OG 3.46Å; N202-S213 PolarHBondContact N-O 2.99Å; N202-S213 PolarHBondContact ND2-OG 2.93Å; N202-S213 PolarHBondContact O-N 2.88Å; N202-S213 PolarHBondContact O-OG 3.46Å; Q204-S213 PolarHBondContact NE2-OG 2.81Å; Q204-S213 PolarHBondContact OE1-OG 3.4Å
214	R	57.7	Low	46.6	Very low	150 Å²	150	114 Å²	114	57%	0.566	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.2	174.3	-73.6	178.6	-176.3	-172.2	5.5	108.3	V199 I201	V199-R214 HydrophobicContact CG2-CG 4.39Å; I201-R214 HydrophobicContact CD1-CB 4.49Å; I201-R214 HydrophobicContact CD1-CG 3.47Å; I201-R214 VanDerWaalsContact CD1-CG 3.47Å
215	T	57.6	Low	45.1	Very low	67 Å²	67	117.8 Å²	117.8	41%	0.411	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.7	109.8	161.7	38.6	0	0	0	0	107.3	I200 N202 S217	I200-T215 PolarHBondContact N-O 3.3Å; I200-T215 PolarHBondContact O-N 2.83Å; I200-T215 PolarHBondContact O-OG1 3.35Å; N202-T215 WeakPolarHBondContact ND2-CG2 3.47Å; N202-T215 PolarHBondContact ND2-OG1 2.69Å; T215-S217 PolarHBondContact O-N 3.14Å
216	F	52.2	Low	44.1	Very low	113 Å²	113	115.1 Å²	115.1	50%	0.496	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.2	129.4	167.4	-67.9	-88.5	0	0	0	107.2	V199 F218	V199-F216 HydrophobicContact CG1-CD1 3.45Å; V199-F216 VanDerWaalsContact CG1-CD1 3.45Å; V199-F216 HydrophobicContact CG1-CE1 3.5Å; V199-F216 HydrophobicContact CG1-CG 4.14Å; V199-F216 HydrophobicContact CG1-CZ 4.24Å; F216-F218 VanDerWaalsContact C-N 3.28Å; F216-F218 HydrophobicContact CB-CD2 3.92Å; F216-F218 HydrophobicContact CB-CE2 3.9Å; F216-F218 PolarHBondContact O-N 3.48Å
217	S	47	Very low	43.1	Very low	43 Å²	43	112.2 Å²	112.2	30%	0.301	55%	0.554	S	S	.	*			trans	-74.2	96.9	157.4	-173.2	0	0	0	0	106.7	N165 T215 N219	N165-S217 PolarHBondContact ND2-OG 2.88Å; T215-S217 PolarHBondContact O-N 3.14Å; S217-N219 PolarHBondContact O-N 2.87Å; S217-N219 VanDerWaalsContact O-N 3.14Å
218	F	37.6	Very low	42.4	Very low	180 Å²	180	110.1 Å²	110.1	79%	0.789	55%	0.551	S	S	*	*			trans	-69.1	102.4	166.6	-81.6	-89.9	0	0	0	106.9	F216	F216-F218 VanDerWaalsContact C-N 3.28Å; F216-F218 HydrophobicContact CB-CD2 3.92Å; F216-F218 HydrophobicContact CB-CE2 3.9Å; F216-F218 PolarHBondContact O-N 3.48Å
219	N	36	Very low	42.1	Very low	80 Å²	80	108.3 Å²	108.3	43%	0.428	55%	0.549	S	S	.	.			trans	-96.9	122.5	157.6	-83.4	-13.9	0	0	0	107.7	N164 N165 S217 F221	N164-N219 PolarHBondContact O-ND2 3.3Å; N165-N219 PolarHBondContact ND2-ND2 3.15Å; S217-N219 PolarHBondContact O-N 2.87Å; S217-N219 VanDerWaalsContact O-N 3.14Å; N219-F221 PolarHBondContact O-N 3.14Å
220	S	31.9	Very low	41.6	Very low	115 Å²	115	104.2 Å²	104.2	80%	0.804	53%	0.531	S	S	*	.			trans	-47.4	125.6	177.9	-53.5	0	0	0	0	110	H222	S220-H222 PolarHBondContact O-N 3.38Å; S220-H222 VanDerWaalsContact O-N 3.11Å
221	F	28	Very low	40.9	Very low	171 Å²	171	106.7 Å²	106.7	75%	0.75	55%	0.549	S	S	*	.			trans	-50.9	113.9	178.9	-92.6	-107.4	0	0	0	111.1	N219 H223	N219-F221 PolarHBondContact O-N 3.14Å; F221-H223 AromaticContact CD1-CD2 3.65Å; F221-H223 AromaticContact CD1-NE2 3.43Å; F221-H223 WeakPolarHBondContact CD1-NE2 3.22Å; F221-H223 AromaticContact CE1-NE2 3.47Å; F221-H223 WeakPolarHBondContact CE1-NE2 3.33Å
222	H	32.5	Very low	39.9	Very low	163 Å²	163	114.5 Å²	114.5	76%	0.755	58%	0.578	S	S	*	*			trans	-120.1	108.2	142.2	-79.2	-78.4	0	0	0	106.3	S220 K224	S220-H222 PolarHBondContact O-N 3.38Å; S220-H222 VanDerWaalsContact O-N 3.11Å; H222-K224 PolarHBondContact O-N 2.86Å
223	H	31.2	Very low	38.7	Very low	155 Å²	155	118.7 Å²	118.7	72%	0.718	60%	0.596	S	S	*	*			trans	-58.7	83.3	161.9	-79	-88.6	0	0	0	107.9	F221 I225	F221-H223 AromaticContact CD1-CD2 3.65Å; F221-H223 AromaticContact CD1-NE2 3.43Å; F221-H223 WeakPolarHBondContact CD1-NE2 3.22Å; F221-H223 AromaticContact CE1-NE2 3.47Å; F221-H223 WeakPolarHBondContact CE1-NE2 3.33Å; H223-I225 PolarHBondContact O-N 2.97Å
224	K	30.1	Very low	37.1	Very low	195 Å²	195	124.6 Å²	124.6	85%	0.848	62%	0.619	S	S	*	*			trans	-75.2	92.1	160	-77.8	-173.5	177.8	-179.3	0	105.8	H222 L226	H222-K224 PolarHBondContact O-N 2.86Å; K224-L226 PolarHBondContact O-N 3.31Å
225	I	28.8	Very low	35.8	Very low	154 Å²	154	123.5 Å²	123.5	79%	0.79	63%	0.629	S	S	*	*			trans	-44.3	128.7	160.5	-61.6	169.8	0	0	0	106.1	H223	H223-I225 PolarHBondContact O-N 2.97Å
226	L	31.7	Very low	34.4	Very low	84 Å²	84	128.2 Å²	128.2	44%	0.44	65%	0.651	S	S	.	*			trans	-46.5	136.1	176.8	-78.8	158.7	0	0	0	109	K224 S228	K224-L226 PolarHBondContact O-N 3.31Å; L226-S228 PolarHBondContact O-N 3.39Å
227	P	30.5	Very low	33.3	Very low	68 Å²	68	129.4 Å²	129.4	44%	0.442	67%	0.667	S	S	.	*			trans	-52.7	134.8	-179.7	18.7	-28.9	0	0	0	109.7	S229 F230	P227-S229 PolarHBondContact O-N 3.25Å; P227-F230 PolarHBondContact O-N 2.99Å
228	S	37.4	Very low	32.3	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-52.5	-19.2	-172.1	49	0	0	0	0	114.2	L226 F230 S231	L226-S228 PolarHBondContact O-N 3.39Å; S228-F230 PolarHBondContact O-N 2.95Å; S228-S231 PolarHBondContact O-N 3.46Å; S228-S231 PolarHBondContact O-OG 3.32Å
229	S	41.7	Very low	32.1	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-61.1	-19.3	172.4	49.1	0	0	0	0	114.5	P227	P227-S229 PolarHBondContact O-N 3.25Å
230	F	36.9	Very low	31.9	Very low	68 Å²	68	134.5 Å²	134.5	30%	0.298	73%	0.734	S	S	.	*	G	3₁₀ helix	trans	-94.8	-9	176.5	-88.2	-89.6	0	0	0	114.7	A181 M184 P227 S228 R232 F234	A181-F230 HydrophobicContact CB-CE2 4.36Å; A181-F230 HydrophobicContact CB-CZ 3.68Å; M184-F230 HydrophobicContact SD-CD1 3.98Å; M184-F230 HydrophobicContact SD-CE1 3.65Å; P227-F230 PolarHBondContact O-N 2.99Å; S228-F230 PolarHBondContact O-N 2.95Å; F230-R232 PolarHBondContact O-N 2.86Å; F230-F234 WeakPolarHBondContact O-CE2 3.33Å
231	S	35.1	Very low	31.9	Very low	80 Å²	80	135.6 Å²	135.6	56%	0.559	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-69.7	-16.9	-176.7	64.2	0	0	0	0	114.2	S228 Q233	S228-S231 PolarHBondContact O-N 3.46Å; S228-S231 PolarHBondContact O-OG 3.32Å; S231-Q233 PolarHBondContact O-N 3.17Å
232	R	34.8	Very low	32.1	Very low	234 Å²	234	133.5 Å²	133.5	88%	0.883	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-83.6	2.3	-172.8	-74.5	-168.3	174.7	-160.9	-0.5	116.2	F230	F230-R232 PolarHBondContact O-N 2.86Å
233	Q	32.6	Very low	32.1	Very low	157 Å²	157	131.7 Å²	131.7	73%	0.734	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-120.7	13.2	-179.2	-76.6	-175.2	-10.4	0	0	115.4	S231 V235	S231-Q233 PolarHBondContact O-N 3.17Å; Q233-V235 PolarHBondContact O-N 3.2Å
234	F	28.3	Very low	32.1	Very low	144 Å²	144	130.1 Å²	130.1	63%	0.632	73%	0.728	S	S	*	*			trans	-96.3	85.3	170.4	-63.4	-79.5	0	0	0	109.5	F230 L236	F230-F234 WeakPolarHBondContact O-CE2 3.33Å; F234-L236 PolarHBondContact O-N 3.32Å
235	V	30.2	Very low	32.3	Very low	127 Å²	127	125.5 Å²	125.5	77%	0.77	72%	0.72	S	S	*	*			trans	-73.9	113.4	157.6	-177.8	0	0	0	0	105.8	Q233 V237	Q233-V235 PolarHBondContact O-N 3.2Å; V235-V237 PolarHBondContact O-N 3.28Å
236	L	27.7	Very low	32.5	Very low	166 Å²	166	123.3 Å²	123.3	87%	0.869	71%	0.714	S	S	*	*			trans	-61.2	103.1	165.9	-69.5	167.4	0	0	0	106.8	F234 G238	F234-L236 PolarHBondContact O-N 3.32Å; L236-G238 PolarHBondContact O-N 2.92Å
237	V	29.5	Very low	32.6	Very low	139 Å²	139	126.6 Å²	126.6	84%	0.842	74%	0.737	S	S	*	*			trans	-77	106.7	164.3	-171.1	0	0	0	0	105.2	V235	V235-V237 PolarHBondContact O-N 3.28Å
238	G	26.4	Very low	32.8	Very low	141 Å²	141	131.9 Å²	131.9	100%	1.454	76%	0.764	S	S	*	*			trans	-68	0	175.8	0	0	0	0	0	113.2	L236	L236-G238 PolarHBondContact O-N 2.92Å

Retrieved 238 of 238 residues in 60.3 ms (Link to these results)

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