G4VTM0_SCHMA Loading...

HSac2 domain-containing protein

AlphaFold DB , UniProt , Accession G4VTM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 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	45.2	Very low	45.8	Very low	235 Å²	235	143.8 Å²	143.8	100%	1.158	73%	0.727	S	S	*	*				0	118.3	0	-76	-176.6	-122	0	0	107.7
2	N	43.6	Very low	45.5	Very low	105 Å²	105	142.5 Å²	142.5	56%	0.561	73%	0.732	S	S	*	*			trans	-87.8	128.4	-171.7	-162.2	-2.6	0	0	0	109.7	S4 E5	N2-S4 VanDerWaalsContact CG-OG 3.23Å; N2-S4 PolarHBondContact ND2-OG 3.48Å; N2-S4 PolarHBondContact O-N 3.04Å; N2-S4 PolarHBondContact OD1-OG 3.4Å; N2-E5 PolarHBondContact O-N 3.03Å
3	F	46.3	Very low	44.6	Very low	184 Å²	184	139.8 Å²	139.8	81%	0.807	73%	0.729	S	S	*	*	H	α-helix	trans	-58.2	-22.5	-175	-107.9	-96.3	0	0	0	113.4	E5	F3-E5 VanDerWaalsContact C-N 3.34Å; F3-E5 PolarHBondContact O-N 3.3Å
4	S	50.3	Low	43.9	Very low	70 Å²	70	143.7 Å²	143.7	49%	0.49	74%	0.742	S	S	.	*	H	α-helix	trans	-74.8	-14.2	177.5	32.8	0	0	0	0	114.8	N2	N2-S4 VanDerWaalsContact CG-OG 3.23Å; N2-S4 PolarHBondContact ND2-OG 3.48Å; N2-S4 PolarHBondContact O-N 3.04Å; N2-S4 PolarHBondContact OD1-OG 3.4Å
5	E	45.4	Very low	43.7	Very low	139 Å²	139	142.6 Å²	142.6	65%	0.65	74%	0.744	S	S	*	*	H	α-helix	trans	-89.8	-20	175.4	-67.5	-172.6	142.6	0	0	113.2	N2 F3	N2-E5 PolarHBondContact O-N 3.03Å; F3-E5 VanDerWaalsContact C-N 3.34Å; F3-E5 PolarHBondContact O-N 3.3Å
6	V	50.8	Low	43.2	Very low	101 Å²	101	140.4 Å²	140.4	61%	0.612	75%	0.745	S	S	*	*	H	α-helix	trans	-76.7	-29.2	179.8	-178.9	0	0	0	0	111.7	K8	V6-K8 VanDerWaalsContact C-N 3.33Å; V6-K8 PolarHBondContact O-N 3.19Å
7	L	45.8	Very low	42.9	Very low	138 Å²	138	141.7 Å²	141.7	72%	0.723	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-11.9	-179.8	-81.3	160.6	0	0	0	114.8
8	K	48.3	Very low	42.8	Very low	188 Å²	188	140.2 Å²	140.2	82%	0.817	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-2	178.7	-73.4	-175.4	177.6	179.3	0	114.5	V6	V6-K8 VanDerWaalsContact C-N 3.33Å; V6-K8 PolarHBondContact O-N 3.19Å
9	K	47.3	Very low	42.5	Very low	180 Å²	180	142.9 Å²	142.9	78%	0.783	76%	0.755	S	S	*	*	S	Bend	trans	-108.7	7.9	-174.6	-75.1	-170.2	177.1	-177.3	0	115.3	P11	K9-P11 WeakPolarHBondContact O-CD 3.32Å
10	I	42.2	Very low	42.8	Very low	127 Å²	127	143.5 Å²	143.5	65%	0.651	76%	0.757	S	S	*	*			trans	-93.9	109.7	175.6	-54.5	177.3	0	0	0	108.2	T12	I10-T12 PolarHBondContact O-N 3.04Å
11	P	38.4	Very low	42.4	Very low	115 Å²	115	141.5 Å²	141.5	75%	0.747	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-66	122.6	173.2	-11	27	0	0	0	108.4	K9	K9-P11 WeakPolarHBondContact O-CD 3.32Å
12	T	42.4	Very low	41.8	Very low	128 Å²	128	139.8 Å²	139.8	79%	0.785	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64	125.6	171.5	-25.5	0	0	0	0	108.2	I10 Q14	I10-T12 PolarHBondContact O-N 3.04Å; T12-Q14 PolarHBondContact O-N 3.06Å
13	P	34.4	Very low	41.8	Very low	107 Å²	107	142 Å²	142	70%	0.695	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-62.2	123	176	22.7	-30.2	0	0	0	109.3	V15	P13-V15 PolarHBondContact O-N 3.24Å
14	Q	34.9	Very low	41	Very low	195 Å²	195	136.8 Å²	136.8	91%	0.911	74%	0.739	S	S	*	*			trans	-70.9	99.2	169.4	-70.3	-153.2	-20.6	0	0	108.3	T12 S16	T12-Q14 PolarHBondContact O-N 3.06Å; Q14-S16 PolarHBondContact O-N 3.18Å
15	V	40.3	Very low	40.2	Very low	127 Å²	127	142.8 Å²	142.8	77%	0.77	76%	0.756	S	S	*	*			trans	-71.1	100.6	167.8	-178.8	0	0	0	0	107	P13 M17	P13-V15 PolarHBondContact O-N 3.24Å; V15-M17 PolarHBondContact O-N 3.34Å
16	S	36.1	Very low	39.5	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	77%	0.765	S	S	*	*			trans	-61.8	115	166.2	179.4	0	0	0	0	108	Q14	Q14-S16 PolarHBondContact O-N 3.18Å
17	M	38.4	Very low	38.5	Very low	162 Å²	162	144.1 Å²	144.1	80%	0.798	77%	0.774	S	S	*	*			trans	-70.8	133.5	168.6	-82.2	-166.4	-76.3	0	0	108.7	V15 Q19	V15-M17 PolarHBondContact O-N 3.34Å; M17-Q19 PolarHBondContact O-N 3.35Å
18	P	39.7	Very low	38.1	Very low	114 Å²	114	142.9 Å²	142.9	74%	0.74	77%	0.766	S	S	*	*			trans	-59.3	132.3	172.6	20.4	-25.9	0	0	0	109.5	I20	P18-I20 PolarHBondContact O-N 3.37Å; P18-I20 VanDerWaalsContact O-N 3.07Å
19	Q	37.6	Very low	37.3	Very low	193 Å²	193	141.1 Å²	141.1	90%	0.902	77%	0.766	S	S	*	*			trans	-61.3	112.2	173.4	-74.3	-177.3	-28.1	0	0	108.5	M17	M17-Q19 PolarHBondContact O-N 3.35Å
20	I	47.9	Very low	36.4	Very low	153 Å²	153	140 Å²	140	79%	0.785	77%	0.769	S	S	*	*			trans	-60.8	127.2	171.1	-60.1	170.4	0	0	0	106.9	P18 Q22	P18-I20 PolarHBondContact O-N 3.37Å; P18-I20 VanDerWaalsContact O-N 3.07Å; I20-Q22 PolarHBondContact O-N 3.42Å
21	P	34.4	Very low	35.9	Very low	102 Å²	102	141.6 Å²	141.6	66%	0.662	78%	0.778	S	S	*	*			trans	-54.7	128.5	177.8	-22.2	31.2	0	0	0	109.9	I23	P21-I23 VanDerWaalsContact C-N 3.28Å; P21-I23 PolarHBondContact O-N 3.2Å
22	Q	34.2	Very low	36	Very low	200 Å²	200	144.8 Å²	144.8	94%	0.935	78%	0.781	S	S	*	*			trans	-65.8	95.1	166	-76.7	-163.9	-38.4	0	0	107.7	I20 S24	I20-Q22 PolarHBondContact O-N 3.42Å; Q22-S24 PolarHBondContact O-N 2.85Å; Q22-S24 VanDerWaalsContact O-N 3.15Å
23	I	42.4	Very low	36.3	Very low	150 Å²	150	147.3 Å²	147.3	77%	0.769	78%	0.784	S	S	*	*			trans	-66	117	170.5	-60.7	173.8	0	0	0	106.4	P21 K25	P21-I23 VanDerWaalsContact C-N 3.28Å; P21-I23 PolarHBondContact O-N 3.2Å; I23-K25 PolarHBondContact O-N 3.3Å
24	S	29	Very low	37.3	Very low	76 Å²	76	147.9 Å²	147.9	53%	0.531	78%	0.781	S	S	.	*			trans	-46	122.1	173.4	37.8	0	0	0	0	110.4	Q22 F26	Q22-S24 PolarHBondContact O-N 2.85Å; Q22-S24 VanDerWaalsContact O-N 3.15Å; S24-F26 VanDerWaalsContact C-N 3.3Å; S24-F26 PolarHBondContact O-N 2.67Å
25	K	35.2	Very low	39	Very low	195 Å²	195	143.5 Å²	143.5	85%	0.848	76%	0.763	S	S	*	*			trans	-59.1	90.9	170.9	-68.4	-177.6	177.1	-176.5	0	109.2	I23 G27	I23-K25 PolarHBondContact O-N 3.3Å; K25-G27 PolarHBondContact O-N 3.03Å
26	F	29	Very low	41.1	Very low	191 Å²	191	137.7 Å²	137.7	84%	0.838	73%	0.728	S	S	*	*			trans	-79.1	107.4	167.7	-92.6	-89.6	0	0	0	108.3	S24	S24-F26 VanDerWaalsContact C-N 3.3Å; S24-F26 PolarHBondContact O-N 2.67Å
27	G	30.5	Very low	43.8	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	71%	0.71	S	S	*	*	S	Bend	trans	96.1	35.2	153.5	0	0	0	0	0	119.1	K25	K25-G27 PolarHBondContact O-N 3.03Å
28	I	37.4	Very low	46.4	Very low	111 Å²	111	128.9 Å²	128.9	57%	0.569	67%	0.672	S	S	*	*			trans	-118.1	119.4	172.7	-55.7	178.7	0	0	0	110.7	N30	I28-N30 PolarHBondContact O-N 3.18Å
29	N	31.1	Very low	49	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	64%	0.637	S	S	*	*			trans	-45.9	127.4	179.8	-75.1	-42	0	0	0	113.1	N31	N29-N31 VanDerWaalsContact C-N 3.28Å; N29-N31 PolarHBondContact O-N 2.75Å
30	N	30.1	Very low	51.5	Low	156 Å²	156	115.9 Å²	115.9	83%	0.834	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	55.5	-179.2	-74.4	-35.5	0	0	0	114.9	I28	I28-N30 PolarHBondContact O-N 3.18Å
31	N	31.8	Very low	53.6	Low	160 Å²	160	112.3 Å²	112.3	86%	0.856	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152	16.4	177	-95.8	-28.9	0	0	0	119.8	N29	N29-N31 VanDerWaalsContact C-N 3.28Å; N29-N31 PolarHBondContact O-N 2.75Å
32	K	40.1	Very low	56.3	Low	183 Å²	183	108 Å²	108	80%	0.796	56%	0.556	S	S	*	*			trans	-161	126.4	158.2	-105.4	162.5	-173.4	178.5	0	105.9	D34	K32-D34 PolarHBondContact O-N 3.06Å
33	E	47.9	Very low	59	Low	181 Å²	181	100.5 Å²	100.5	85%	0.846	52%	0.524	S	S	*	.			trans	-54.1	117.7	159.4	-73.1	-177.2	148.9	0	0	105.8	I35	E33-I35 WeakPolarHBondContact O-CG1 3.49Å; E33-I35 PolarHBondContact O-N 3.07Å
34	D	54.9	Low	61.2	Low	118 Å²	118	95.5 Å²	95.5	63%	0.631	50%	0.498	S	S	*	.			trans	-63.4	90.5	176.1	-78.4	-42.3	0	0	0	107.7	K32 G36	K32-D34 PolarHBondContact O-N 3.06Å; D34-G36 PolarHBondContact O-N 3.25Å; D34-G36 VanDerWaalsContact O-N 3.09Å
35	I	71.3	Confident	64.2	Low	104 Å²	104	96.8 Å²	96.8	53%	0.533	50%	0.495	S	S	.	.			trans	-66.5	110.5	179.1	-69	160.1	0	0	0	105.9	E33 K251	E33-I35 WeakPolarHBondContact O-CG1 3.49Å; E33-I35 PolarHBondContact O-N 3.07Å; I35-K251 HydrophobicContact CG2-CD 4.25Å; I35-K251 VanDerWaalsContact CG2-NZ 3.31Å
36	G	84.7	Confident	66.9	Low	5 Å²	5	88.9 Å²	88.9	5%	0.052	46%	0.462	C	S	.	.			trans	-54.9	148.5	174.4	0	0	0	0	0	112	D34 F100 L101 C103	D34-G36 PolarHBondContact O-N 3.25Å; D34-G36 VanDerWaalsContact O-N 3.09Å; G36-F100 CarbonylContact C-O 3.54Å; G36-F100 WeakPolarHBondContact CA-O 3.11Å; G36-L101 WeakPolarHBondContact CA-O 3.4Å; G36-L101 PolarHBondContact N-O 3.42Å; G36-C103 WeakPolarHBondContact CA-SG 3.31Å
37	K	91.8	Very high	69.9	Low	83 Å²	83	79.8 Å²	79.8	36%	0.361	42%	0.422	S	S	.	.			trans	-118.2	135.4	-172	-63.2	168.9	-175.9	164.3	0	109.7	N41 M42 D46 F100	K37-N41 HydrophobicContact CB-CB 4.41Å; K37-M42 HydrophobicContact CB-CG 3.96Å; K37-D46 WeakPolarHBondContact CD-OD2 3.39Å; K37-D46 IonicContact NZ-OD1 2.74Å; K37-D46 PolarHBondContact NZ-OD1 3.15Å; K37-D46 IonicContact NZ-OD2 2.68Å; K37-D46 PolarHBondContact NZ-OD2 3.24Å; K37-F100 PolarHBondContact N-O 3.22Å; K37-F100 VanDerWaalsContact N-O 3.13Å; K37-F100 WeakPolarHBondContact O-CB 3.46Å
38	A	93.5	Very high	72.9	Confident	2 Å²	2	80.1 Å²	80.1	2%	0.017	40%	0.403	C	S	.	.			trans	-60.4	151.3	168.7	0	0	0	0	0	110.3	I40 N41 M42 A248	A38-I40 HydrophobicContact CB-CG2 4.48Å; A38-I40 PolarHBondContact O-N 2.88Å; A38-I40 VanDerWaalsContact O-N 3.07Å; A38-N41 PolarHBondContact O-N 3.15Å; A38-M42 PolarHBondContact O-N 2.9Å; A38-A248 HydrophobicContact CB-CB 3.85Å; A38-A248 WeakPolarHBondContact CB-O 3.33Å
39	P	93.4	Very high	75.6	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.006	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-52.6	-36.1	-175.8	-34.4	41.3	0	0	0	114.9	N41 M42 I71 E83 F100 L173 Q184 Y202	P39-N41 PolarHBondContact O-N 3.39Å; P39-M42 PolarHBondContact O-N 3.15Å; P39-I71 HydrophobicContact CB-CD1 3.91Å; P39-I71 HydrophobicContact CB-CG2 4.48Å; P39-I71 HydrophobicContact CG-CD1 4.04Å; P39-I71 HydrophobicContact CG-CG2 4.12Å; P39-E83 VanDerWaalsContact CG-OE1 3.31Å; P39-E83 WeakPolarHBondContact CG-OE1 3.44Å; P39-F100 HydrophobicContact CG-CD1 3.87Å; P39-F100 HydrophobicContact CG-CD2 3.99Å; P39-F100 HydrophobicContact CG-CE1 3.64Å; P39-F100 HydrophobicContact CG-CE2 3.76Å; P39-F100 HydrophobicContact CG-CG 4.04Å; P39-F100 HydrophobicContact CG-CZ 3.57Å; P39-L173 HydrophobicContact CB-CD1 3.69Å; P39-Q184 PolarHBondContact O-NE2 2.63Å; P39-Y202 HydrophobicContact CB-CE1 4.21Å; P39-Y202 PolarHBondContact O-OH 3.16Å
40	I	91.7	Very high	78.6	Confident	33 Å²	33	73.7 Å²	73.7	17%	0.169	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-63	-16.4	177.7	-161.3	170.4	0	0	0	113.9	A38 L173 P181 P250	A38-I40 HydrophobicContact CB-CG2 4.48Å; A38-I40 PolarHBondContact O-N 2.88Å; A38-I40 VanDerWaalsContact O-N 3.07Å; I40-L173 HydrophobicContact CB-CD1 3.98Å; I40-L173 HydrophobicContact CB-CD2 3.82Å; I40-L173 HydrophobicContact CD1-CD2 3.72Å; I40-L173 HydrophobicContact CG1-CD2 3.77Å; I40-P181 WeakPolarHBondContact O-CD 3.23Å; I40-P250 HydrophobicContact CG2-CB 4.31Å; I40-P250 HydrophobicContact CG2-CG 4.32Å
41	N	91	Very high	81.7	Confident	77 Å²	77	67.3 Å²	67.3	41%	0.412	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-113.5	0.7	-178.4	-68.5	-16	0	0	0	113	K37 A38 P39 P250	K37-N41 HydrophobicContact CB-CB 4.41Å; A38-N41 PolarHBondContact O-N 3.15Å; P39-N41 PolarHBondContact O-N 3.39Å; N41-P250 VanDerWaalsContact ND2-CB 3.33Å; N41-P250 WeakPolarHBondContact ND2-CB 3.38Å
42	M	91.1	Very high	84.8	Confident	11 Å²	11	65.8 Å²	65.8	5%	0.054	32%	0.319	C	S	.	.			trans	-76.8	135.1	-179.7	-73.7	175.2	69.4	0	0	110.2	K37 A38 P39 D46 M47 L50 F100 P181 Q184	K37-M42 HydrophobicContact CB-CG 3.96Å; A38-M42 PolarHBondContact O-N 2.9Å; P39-M42 PolarHBondContact O-N 3.15Å; M42-D46 WeakPolarHBondContact CA-OD2 3.16Å; M42-D46 HydrophobicContact CB-CB 3.89Å; M42-D46 HydrophobicContact CE-CB 3.97Å; M42-D46 HydrophobicContact CG-CB 4.09Å; M42-M47 HydrophobicContact CB-CG 4.46Å; M42-M47 HydrophobicContact CE-CG 4.02Å; M42-M47 HydrophobicContact CE-SD 3.41Å; M42-M47 WeakPolarHBondContact CE-SD 3.47Å; M42-M47 HydrophobicContact SD-SD 4.15Å; M42-L50 HydrophobicContact CE-CB 4.19Å; M42-L50 HydrophobicContact CE-CD2 3.95Å; M42-F100 HydrophobicContact SD-CD1 3.63Å; M42-F100 HydrophobicContact SD-CE1 3.69Å; M42-P181 WeakPolarHBondContact O-CG 3.47Å; M42-Q184 WeakPolarHBondContact O-CB 3.43Å; M42-Q184 WeakPolarHBondContact O-CG 3.1Å; M42-Q184 PolarHBondContact O-NE2 2.94Å; M42-Q184 PolarHBondContact O-OE1 2.83Å
43	T	90.4	Very high	87.5	Confident	44 Å²	44	60.8 Å²	60.8	27%	0.27	30%	0.296	S	S	.	.			trans	-86.6	-178.9	173.1	71.7	0	0	0	0	111.3	E45 D46 M47	T43-E45 VanDerWaalsContact C-N 3.29Å; T43-E45 VanDerWaalsContact CB-OE2 3.26Å; T43-E45 WeakPolarHBondContact CB-OE2 3.47Å; T43-E45 PolarHBondContact O-N 3.03Å; T43-E45 PolarHBondContact OG1-N 3.01Å; T43-E45 PolarHBondContact OG1-OE2 3.21Å; T43-D46 PolarHBondContact N-OD2 3.32Å; T43-D46 PolarHBondContact O-N 3.36Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.45Å; T43-M47 PolarHBondContact O-N 3.5Å; T43-M47 VanDerWaalsContact O-N 3.13Å
44	Q	89.7	Confident	89.8	Confident	45 Å²	45	52.2 Å²	52.2	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-42.7	174.1	-169.4	-179	-7.4	0	0	110.9	M47 Q48 K183 N186 V187	Q44-M47 PolarHBondContact O-N 2.86Å; Q44-Q48 WeakPolarHBondContact O-CG 3.43Å; Q44-Q48 PolarHBondContact O-N 3.37Å; Q44-K183 HydrophobicContact CB-CB 4.48Å; Q44-K183 WeakPolarHBondContact CB-O 3.32Å; Q44-K183 WeakPolarHBondContact CG-O 3.3Å; Q44-N186 PolarHBondContact NE2-O 3.49Å; Q44-N186 VanDerWaalsContact NE2-O 3.14Å; Q44-V187 HydrophobicContact CB-CG2 4.24Å; Q44-V187 HydrophobicContact CG-CG2 3.4Å; Q44-V187 WeakPolarHBondContact O-CG2 3.43Å
45	E	91.1	Very high	91.8	Very high	103 Å²	103	47.9 Å²	47.9	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-41.7	179.2	-59.1	75	-162.4	0	0	111.4	T43 M47 Q48 Q49	T43-E45 VanDerWaalsContact C-N 3.29Å; T43-E45 VanDerWaalsContact CB-OE2 3.26Å; T43-E45 WeakPolarHBondContact CB-OE2 3.47Å; T43-E45 PolarHBondContact O-N 3.03Å; T43-E45 PolarHBondContact OG1-N 3.01Å; T43-E45 PolarHBondContact OG1-OE2 3.21Å; E45-M47 VanDerWaalsContact C-N 3.3Å; E45-M47 PolarHBondContact O-N 3.39Å; E45-Q48 PolarHBondContact O-N 2.96Å; E45-Q49 WeakPolarHBondContact O-CB 3.49Å; E45-Q49 VanDerWaalsContact O-CG 3.3Å; E45-Q49 WeakPolarHBondContact O-CG 3.28Å; E45-Q49 PolarHBondContact O-N 3.4Å
46	D	92.3	Very high	92.9	Very high	28 Å²	28	50.1 Å²	50.1	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-40.9	177	-61.6	-45.7	0	0	0	111.2	K37 M42 T43 L50	K37-D46 WeakPolarHBondContact CD-OD2 3.39Å; K37-D46 IonicContact NZ-OD1 2.74Å; K37-D46 PolarHBondContact NZ-OD1 3.15Å; K37-D46 IonicContact NZ-OD2 2.68Å; K37-D46 PolarHBondContact NZ-OD2 3.24Å; M42-D46 WeakPolarHBondContact CA-OD2 3.16Å; M42-D46 HydrophobicContact CB-CB 3.89Å; M42-D46 HydrophobicContact CE-CB 3.97Å; M42-D46 HydrophobicContact CG-CB 4.09Å; T43-D46 PolarHBondContact N-OD2 3.32Å; T43-D46 PolarHBondContact O-N 3.36Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.45Å; D46-L50 WeakPolarHBondContact O-CB 3.42Å; D46-L50 PolarHBondContact O-N 2.96Å
47	M	92.3	Very high	93.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-39	176.8	-77.5	-61.3	-58.9	0	0	112.4	M42 T43 Q44 E45 L50 I51 L69 I71 Q184 V187 A190 V201	M42-M47 HydrophobicContact CB-CG 4.46Å; M42-M47 HydrophobicContact CE-CG 4.02Å; M42-M47 HydrophobicContact CE-SD 3.41Å; M42-M47 WeakPolarHBondContact CE-SD 3.47Å; M42-M47 HydrophobicContact SD-SD 4.15Å; T43-M47 PolarHBondContact O-N 3.5Å; T43-M47 VanDerWaalsContact O-N 3.13Å; Q44-M47 PolarHBondContact O-N 2.86Å; E45-M47 VanDerWaalsContact C-N 3.3Å; E45-M47 PolarHBondContact O-N 3.39Å; M47-L50 WeakPolarHBondContact O-CB 3.11Å; M47-L50 PolarHBondContact O-N 2.82Å; M47-L50 HydrophobicContact SD-CD2 4.36Å; M47-I51 PolarHBondContact O-N 3.4Å; M47-L69 HydrophobicContact CE-CD2 4.3Å; M47-I71 HydrophobicContact CE-CD1 4.29Å; M47-I71 HydrophobicContact SD-CD1 3.99Å; M47-Q184 HydrophobicContact CG-CG 3.78Å; M47-Q184 WeakPolarHBondContact CG-O 3.45Å; M47-V187 HydrophobicContact CB-CB 4.39Å; M47-V187 HydrophobicContact CB-CG2 3.79Å; M47-A190 HydrophobicContact CE-CB 3.98Å; M47-V201 HydrophobicContact CE-CG2 3.93Å
48	Q	92.8	Very high	93.7	Very high	86 Å²	86	50.1 Å²	50.1	40%	0.402	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-45.4	173.5	-76.4	172.9	-15.6	0	0	111.7	Q44 E45 L50 I51 H52 V187	Q44-Q48 WeakPolarHBondContact O-CG 3.43Å; Q44-Q48 PolarHBondContact O-N 3.37Å; E45-Q48 PolarHBondContact O-N 2.96Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.02Å; Q48-I51 PolarHBondContact O-N 2.82Å; Q48-H52 WeakPolarHBondContact O-CB 3.47Å; Q48-H52 PolarHBondContact O-N 3.12Å; Q48-V187 HydrophobicContact CB-CG1 4.42Å; Q48-V187 HydrophobicContact CG-CB 4.39Å; Q48-V187 HydrophobicContact CG-CG1 3.51Å; Q48-V187 HydrophobicContact CG-CG2 3.99Å
49	Q	93.8	Very high	93.8	Very high	124 Å²	124	51.4 Å²	51.4	58%	0.579	26%	0.262	S	S	*	.	H	α-helix	trans	-61.9	-40.1	175.6	-72.5	175.6	8.4	0	0	111.5	E45 H52 Y53	E45-Q49 WeakPolarHBondContact O-CB 3.49Å; E45-Q49 VanDerWaalsContact O-CG 3.3Å; E45-Q49 WeakPolarHBondContact O-CG 3.28Å; E45-Q49 PolarHBondContact O-N 3.4Å; Q49-H52 PolarHBondContact O-N 3.09Å; Q49-Y53 VanDerWaalsContact O-CB 3.29Å; Q49-Y53 WeakPolarHBondContact O-CB 3.48Å; Q49-Y53 PolarHBondContact O-N 2.73Å
50	L	95.3	Very high	94	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-51.3	174.9	176.2	60.4	0	0	0	111.3	M42 D46 M47 Q48 H52 Y53 I54 L85 Y98 F100	M42-L50 HydrophobicContact CE-CB 4.19Å; M42-L50 HydrophobicContact CE-CD2 3.95Å; D46-L50 WeakPolarHBondContact O-CB 3.42Å; D46-L50 PolarHBondContact O-N 2.96Å; M47-L50 WeakPolarHBondContact O-CB 3.11Å; M47-L50 PolarHBondContact O-N 2.82Å; M47-L50 HydrophobicContact SD-CD2 4.36Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.02Å; L50-H52 VanDerWaalsContact C-N 3.32Å; L50-H52 PolarHBondContact O-N 3.34Å; L50-Y53 HydrophobicContact CD1-CD1 4.49Å; L50-Y53 PolarHBondContact O-N 2.91Å; L50-I54 HydrophobicContact CD1-CD1 4.35Å; L50-I54 HydrophobicContact CD1-CG1 3.98Å; L50-I54 HydrophobicContact CG-CG1 4.44Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.29Å; L50-I54 PolarHBondContact O-N 3.49Å; L50-L85 HydrophobicContact CD1-CD1 3.91Å; L50-L85 HydrophobicContact CD2-CD1 4.1Å; L50-L85 HydrophobicContact CD2-CD2 4.06Å; L50-L85 HydrophobicContact CG-CD1 4.38Å; L50-Y98 HydrophobicContact CD1-CD1 4.24Å; L50-Y98 HydrophobicContact CD1-CD2 4.35Å; L50-Y98 HydrophobicContact CD1-CE1 3.69Å; L50-Y98 HydrophobicContact CD1-CE2 3.84Å; L50-Y98 VanDerWaalsContact CD1-CZ 3.46Å; L50-F100 HydrophobicContact CD2-CE1 4.08Å
51	I	95.1	Very high	94.2	Very high	22 Å²	22	58.6 Å²	58.6	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-44.6	179.2	-74.2	165	0	0	0	110.8	M47 Q48 I54 G55 F66 L69 V187 A190	M47-I51 PolarHBondContact O-N 3.4Å; Q48-I51 PolarHBondContact O-N 2.82Å; I51-I54 PolarHBondContact O-N 3.09Å; I51-G55 PolarHBondContact O-N 3.49Å; I51-F66 HydrophobicContact CG1-CZ 4.27Å; I51-F66 HydrophobicContact CG2-CE1 3.9Å; I51-F66 HydrophobicContact CG2-CE2 4.44Å; I51-F66 HydrophobicContact CG2-CZ 3.81Å; I51-L69 HydrophobicContact CG1-CB 4.31Å; I51-L69 HydrophobicContact CG1-CD1 4.17Å; I51-V187 HydrophobicContact CD1-CG1 3.7Å; I51-A190 HydrophobicContact CD1-CB 4Å
52	H	96.2	Very high	94.5	Very high	128 Å²	128	60.4 Å²	60.4	59%	0.593	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-47.7	176.8	-178.1	61.7	0	0	0	111.8	Q48 Q49 L50 I54 G55 E56	Q48-H52 WeakPolarHBondContact O-CB 3.47Å; Q48-H52 PolarHBondContact O-N 3.12Å; Q49-H52 PolarHBondContact O-N 3.09Å; L50-H52 VanDerWaalsContact C-N 3.32Å; L50-H52 PolarHBondContact O-N 3.34Å; H52-I54 VanDerWaalsContact C-N 3.34Å; H52-I54 PolarHBondContact O-N 2.9Å; H52-G55 PolarHBondContact O-N 3.16Å; H52-E56 WeakPolarHBondContact O-CG 3.26Å; H52-E56 PolarHBondContact O-N 2.87Å
53	Y	96.4	Very high	94.8	Very high	78 Å²	78	59.9 Å²	59.9	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-44.7	176.2	165.7	-101.5	0	0	0	112.1	Q49 L50 E56 S57 Y98 V105	Q49-Y53 VanDerWaalsContact O-CB 3.29Å; Q49-Y53 WeakPolarHBondContact O-CB 3.48Å; Q49-Y53 PolarHBondContact O-N 2.73Å; L50-Y53 HydrophobicContact CD1-CD1 4.49Å; L50-Y53 PolarHBondContact O-N 2.91Å; Y53-E56 PolarHBondContact O-N 2.94Å; Y53-S57 VanDerWaalsContact CE2-OG 3.29Å; Y53-S57 WeakPolarHBondContact CE2-OG 3.33Å; Y53-S57 VanDerWaalsContact CZ-OG 3.31Å; Y53-S57 VanDerWaalsContact O-CB 3.29Å; Y53-S57 WeakPolarHBondContact O-CB 3.32Å; Y53-S57 PolarHBondContact O-N 2.92Å; Y53-S57 PolarHBondContact O-OG 2.89Å; Y53-Y98 HydrophobicContact CD1-CE2 4.12Å; Y53-Y98 HydrophobicContact CE1-CD2 4.41Å; Y53-Y98 AromaticContact CE1-CE2 3.72Å; Y53-Y98 HydrophobicContact CE1-CE2 3.72Å; Y53-V105 HydrophobicContact CE1-CG2 4.01Å; Y53-V105 PolarHBondContact OH-N 2.86Å
54	I	97.3	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-43.6	177.9	-66.6	-57.1	0	0	0	110.8	L50 I51 H52 E56 V58 L59 L69 L85 V87 L96 V105	L50-I54 HydrophobicContact CD1-CD1 4.35Å; L50-I54 HydrophobicContact CD1-CG1 3.98Å; L50-I54 HydrophobicContact CG-CG1 4.44Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.29Å; L50-I54 PolarHBondContact O-N 3.49Å; I51-I54 PolarHBondContact O-N 3.09Å; H52-I54 VanDerWaalsContact C-N 3.34Å; H52-I54 PolarHBondContact O-N 2.9Å; I54-E56 VanDerWaalsContact C-N 3.34Å; I54-E56 PolarHBondContact O-N 3.28Å; I54-V58 HydrophobicContact CD1-CG2 3.86Å; I54-V58 HydrophobicContact CG2-CB 4.25Å; I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 VanDerWaalsContact O-CB 3.31Å; I54-V58 WeakPolarHBondContact O-CB 3.26Å; I54-V58 PolarHBondContact O-N 3.37Å; I54-L59 PolarHBondContact O-N 2.75Å; I54-L69 HydrophobicContact CG1-CD1 4.12Å; I54-L85 HydrophobicContact CD1-CD1 4.09Å; I54-L85 HydrophobicContact CG1-CD1 4.31Å; I54-V87 HydrophobicContact CG2-CG2 3.87Å; I54-L96 HydrophobicContact CD1-CD1 3.76Å; I54-L96 HydrophobicContact CG2-CD1 4.22Å; I54-V105 HydrophobicContact CD1-CG2 3.93Å
55	G	96.4	Very high	95.3	Very high	27 Å²	27	59 Å²	59	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-56.5	-45.8	176.9	0	0	0	0	0	112.9	I51 H52	I51-G55 PolarHBondContact O-N 3.49Å; H52-G55 PolarHBondContact O-N 3.16Å
56	E	95.5	Very high	95.6	Very high	151 Å²	151	57.2 Å²	57.2	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-81.1	-32.4	-176.3	-66.8	-64.8	132.6	0	0	114.1	H52 Y53 I54	H52-E56 WeakPolarHBondContact O-CG 3.26Å; H52-E56 PolarHBondContact O-N 2.87Å; Y53-E56 PolarHBondContact O-N 2.94Å; I54-E56 VanDerWaalsContact C-N 3.34Å; I54-E56 PolarHBondContact O-N 3.28Å
57	S	94.9	Very high	95.8	Very high	65 Å²	65	58.2 Å²	58.2	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-106.4	-15.9	-169.7	70.8	0	0	0	0	115.3	Y53	Y53-S57 VanDerWaalsContact CE2-OG 3.29Å; Y53-S57 WeakPolarHBondContact CE2-OG 3.33Å; Y53-S57 VanDerWaalsContact CZ-OG 3.31Å; Y53-S57 VanDerWaalsContact O-CB 3.29Å; Y53-S57 WeakPolarHBondContact O-CB 3.32Å; Y53-S57 PolarHBondContact O-N 2.92Å; Y53-S57 PolarHBondContact O-OG 2.89Å
58	V	96.8	Very high	96	Very high	23 Å²	23	58.2 Å²	58.2	14%	0.139	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-44.4	-174.8	-175.1	0	0	0	0	112.1	I54 Y94 L96 V105	I54-V58 HydrophobicContact CD1-CG2 3.86Å; I54-V58 HydrophobicContact CG2-CB 4.25Å; I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 VanDerWaalsContact O-CB 3.31Å; I54-V58 WeakPolarHBondContact O-CB 3.26Å; I54-V58 PolarHBondContact O-N 3.37Å; V58-Y94 HydrophobicContact CG1-CD1 4.06Å; V58-Y94 HydrophobicContact CG1-CE1 4.03Å; V58-L96 HydrophobicContact CG1-CD1 4.17Å; V58-L96 HydrophobicContact CG1-CD2 3.9Å; V58-L96 HydrophobicContact CG2-CD1 4.43Å; V58-V105 HydrophobicContact CG2-CG2 3.73Å
59	L	97.1	Very high	96.1	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.157	29%	0.293	C	S	.	.			trans	-78.1	149.5	-175.2	-53.5	-174.8	0	0	0	111.1	I54 D63 F66 V87 T89 Y94	I54-L59 PolarHBondContact O-N 2.75Å; L59-D63 WeakPolarHBondContact CA-OD2 3.22Å; L59-F66 HydrophobicContact CD1-CB 4.13Å; L59-F66 HydrophobicContact CD1-CD2 3.92Å; L59-F66 HydrophobicContact CD1-CG 4.5Å; L59-V87 HydrophobicContact CD2-CG1 4.2Å; L59-T89 HydrophobicContact CD1-CG2 4.12Å; L59-T89 HydrophobicContact CD2-CG2 4.02Å; L59-Y94 HydrophobicContact CD2-CD2 3.88Å; L59-Y94 HydrophobicContact CD2-CE2 3.51Å
60	I	96.9	Very high	96.3	Very high	71 Å²	71	48.2 Å²	48.2	36%	0.364	27%	0.266	S	S	.	.			trans	-119.8	156.6	175.5	63.8	174.4	0	0	0	110.3	E62 D63	I60-E62 HydrophobicContact CD1-CB 4.23Å; I60-E62 WeakPolarHBondContact CD1-OE2 3.31Å; I60-E62 HydrophobicContact CG1-CB 4.32Å; I60-E62 WeakPolarHBondContact CG1-OE2 3.13Å; I60-E62 PolarHBondContact O-N 3.14Å; I60-D63 WeakPolarHBondContact CG1-OD2 3.34Å; I60-D63 PolarHBondContact N-OD2 3.09Å; I60-D63 VanDerWaalsContact O-CB 3.22Å; I60-D63 WeakPolarHBondContact O-CB 3.46Å; I60-D63 PolarHBondContact O-N 3Å
61	P	96.4	Very high	96.4	Very high	113 Å²	113	48 Å²	48	73%	0.734	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-54	-32.8	-177.7	-28.1	36.5	0	0	0	114.2	D63 G64 R91	P61-D63 PolarHBondContact O-N 3.15Å; P61-G64 PolarHBondContact O-N 3.12Å; P61-R91 PolarHBondContact O-NH2 2.92Å
62	E	96.4	Very high	96.5	Very high	115 Å²	115	47 Å²	47	54%	0.537	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-67.5	-12.7	178.4	-62.5	72.6	-159.4	0	0	113.1	I60 G64 R91	I60-E62 HydrophobicContact CD1-CB 4.23Å; I60-E62 WeakPolarHBondContact CD1-OE2 3.31Å; I60-E62 HydrophobicContact CG1-CB 4.32Å; I60-E62 WeakPolarHBondContact CG1-OE2 3.13Å; I60-E62 PolarHBondContact O-N 3.14Å; E62-G64 VanDerWaalsContact C-N 3.31Å; E62-R91 VanDerWaalsContact C-NH2 3.3Å; E62-R91 VanDerWaalsContact O-CZ 3.29Å; E62-R91 PolarHBondContact O-NE 3.2Å; E62-R91 PolarHBondContact O-NH2 2.85Å
63	D	97	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-72.4	-23.3	176.2	-70.3	-37.6	0	0	0	114.3	L59 I60 P61 T89 R91 N92 Y94 R110	L59-D63 WeakPolarHBondContact CA-OD2 3.22Å; I60-D63 WeakPolarHBondContact CG1-OD2 3.34Å; I60-D63 PolarHBondContact N-OD2 3.09Å; I60-D63 VanDerWaalsContact O-CB 3.22Å; I60-D63 WeakPolarHBondContact O-CB 3.46Å; I60-D63 PolarHBondContact O-N 3Å; P61-D63 PolarHBondContact O-N 3.15Å; D63-T89 HydrophobicContact CB-CG2 4Å; D63-T89 WeakPolarHBondContact O-CB 3.46Å; D63-T89 PolarHBondContact O-OG1 2.99Å; D63-R91 WeakPolarHBondContact O-CB 3.35Å; D63-R91 PolarHBondContact O-N 2.97Å; D63-R91 VanDerWaalsContact O-N 3.1Å; D63-N92 PolarHBondContact OD1-ND2 2.79Å; D63-Y94 PolarHBondContact OD1-OH 3.49Å; D63-Y94 VanDerWaalsContact OD1-OH 3.12Å; D63-Y94 PolarHBondContact OD2-OH 3.33Å; D63-R110 IonicContact OD1-CZ 3.1Å; D63-R110 IonicContact OD1-NE 2.75Å; D63-R110 PolarHBondContact OD1-NE 2.92Å; D63-R110 IonicContact OD1-NH2 2.67Å; D63-R110 PolarHBondContact OD1-NH2 2.78Å
64	G	96.5	Very high	96.6	Very high	22 Å²	22	38 Å²	38	23%	0.227	22%	0.221	C	C	.	.			trans	79.8	-169	-171	0	0	0	0	0	111.7	P61 E62 E90 R91	P61-G64 PolarHBondContact O-N 3.12Å; E62-G64 VanDerWaalsContact C-N 3.31Å; G64-E90 VanDerWaalsContact CA-OE2 3.32Å; G64-E90 WeakPolarHBondContact CA-OE2 3.32Å; G64-R91 VanDerWaalsContact CA-CZ 3.46Å; G64-R91 VanDerWaalsContact CA-NH2 3.28Å
65	A	95.5	Very high	96.4	Very high	50 Å²	50	38.3 Å²	38.3	41%	0.413	22%	0.222	S	C	.	.	S	Bend	trans	-61.6	140.1	-178.4	0	0	0	0	0	111.6	I67 T89 E90	A65-I67 PolarHBondContact O-N 3.46Å; A65-T89 CarbonylContact O-C 3.56Å; A65-T89 WeakPolarHBondContact O-CA 3.36Å; A65-T89 WeakPolarHBondContact O-CB 3.39Å; A65-E90 HydrophobicContact CB-CG 3.89Å; A65-E90 VanDerWaalsContact N-CD 3.3Å; A65-E90 PolarHBondContact N-OE2 3.29Å; A65-E90 PolarHBondContact O-N 3.47Å
66	F	96.8	Very high	96.1	Very high	65 Å²	65	37.7 Å²	37.7	29%	0.285	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	129.2	166.4	171.1	-92.5	0	0	0	109.1	I51 L59 L69 V87	I51-F66 HydrophobicContact CG1-CZ 4.27Å; I51-F66 HydrophobicContact CG2-CE1 3.9Å; I51-F66 HydrophobicContact CG2-CE2 4.44Å; I51-F66 HydrophobicContact CG2-CZ 3.81Å; L59-F66 HydrophobicContact CD1-CB 4.13Å; L59-F66 HydrophobicContact CD1-CD2 3.92Å; L59-F66 HydrophobicContact CD1-CG 4.5Å; F66-L69 HydrophobicContact CE2-CB 4.02Å; F66-L69 HydrophobicContact CZ-CB 3.81Å; F66-V87 HydrophobicContact CD2-CG1 3.79Å; F66-V87 HydrophobicContact CE2-CG1 3.65Å
67	I	96.1	Very high	95.6	Very high	49 Å²	49	31.5 Å²	31.5	25%	0.251	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-60.9	179.1	-64.2	177.3	0	0	0	109.4	A65 L88 Y192 A214	A65-I67 PolarHBondContact O-N 3.46Å; I67-L88 HydrophobicContact CB-CB 4.48Å; I67-L88 HydrophobicContact CB-CG 4.4Å; I67-L88 WeakPolarHBondContact CB-O 3.44Å; I67-L88 HydrophobicContact CD1-CD2 4.37Å; I67-L88 HydrophobicContact CD1-CG 4.21Å; I67-L88 HydrophobicContact CG2-CD2 4.32Å; I67-L88 PolarHBondContact N-O 2.89Å; I67-Y192 HydrophobicContact CG2-CD2 3.7Å; I67-Y192 HydrophobicContact CG2-CE2 3.66Å; I67-A214 HydrophobicContact CD1-CB 4.2Å
68	A	96.2	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	162.2	-174.8	0	0	0	0	0	112.9	W70 L88 G189 G191	A68-W70 HydrophobicContact CB-CE3 4.39Å; A68-W70 HydrophobicContact CB-CH2 3.37Å; A68-W70 HydrophobicContact CB-CZ2 3.77Å; A68-W70 HydrophobicContact CB-CZ3 3.69Å; A68-W70 WeakPolarHBondContact O-CZ3 3.4Å; A68-L88 PolarHBondContact N-O 3.01Å; A68-L88 PolarHBondContact O-N 2.9Å; A68-G189 CarbonylContact C-O 3.48Å; A68-G189 WeakPolarHBondContact CA-O 3.34Å; A68-G191 WeakPolarHBondContact CB-O 3.19Å
69	L	96.7	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.2	175.9	179.2	157.1	0	0	0	110.4	M47 I51 I54 F66 I71 L85 I86 V87 G189 G191	M47-L69 HydrophobicContact CE-CD2 4.3Å; I51-L69 HydrophobicContact CG1-CB 4.31Å; I51-L69 HydrophobicContact CG1-CD1 4.17Å; I54-L69 HydrophobicContact CG1-CD1 4.12Å; F66-L69 HydrophobicContact CE2-CB 4.02Å; F66-L69 HydrophobicContact CZ-CB 3.81Å; L69-I71 HydrophobicContact CD2-CG1 4.41Å; L69-L85 HydrophobicContact CD1-CD1 4.46Å; L69-L85 HydrophobicContact CD2-CD2 4.04Å; L69-I86 CarbonylContact C-O 3.52Å; L69-I86 VanDerWaalsContact CA-O 3.31Å; L69-I86 WeakPolarHBondContact CA-O 3.29Å; L69-V87 HydrophobicContact CD1-CG2 4.01Å; L69-V87 HydrophobicContact CG-CG2 4.18Å; L69-G189 PolarHBondContact N-O 3.1Å; L69-G191 PolarHBondContact O-N 2.96Å
70	W	97.3	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.2	174.7	-59.6	-101.2	0	0	0	110.8	A68 L72 L85 I86 L88 S200 V201 N206 F207 A210	A68-W70 HydrophobicContact CB-CE3 4.39Å; A68-W70 HydrophobicContact CB-CH2 3.37Å; A68-W70 HydrophobicContact CB-CZ2 3.77Å; A68-W70 HydrophobicContact CB-CZ3 3.69Å; A68-W70 WeakPolarHBondContact O-CZ3 3.4Å; W70-L72 HydrophobicContact CB-CD1 3.99Å; W70-L72 HydrophobicContact CB-CD2 4.12Å; W70-L72 HydrophobicContact CB-CG 3.68Å; W70-L72 HydrophobicContact CG-CD1 4.46Å; W70-L85 CarbonylContact O-C 3.51Å; W70-L85 VanDerWaalsContact O-CA 3.29Å; W70-L85 WeakPolarHBondContact O-CA 3.48Å; W70-I86 HydrophobicContact CB-CB 4.42Å; W70-I86 HydrophobicContact CE3-CG2 4.48Å; W70-I86 PolarHBondContact N-O 3.11Å; W70-I86 PolarHBondContact O-N 3.04Å; W70-L88 HydrophobicContact CH2-CB 3.93Å; W70-L88 HydrophobicContact CH2-CD2 4.09Å; W70-L88 HydrophobicContact CZ3-CB 3.57Å; W70-S200 VanDerWaalsContact CD1-O 3.27Å; W70-V201 CarbonylContact C-O 3.09Å; W70-V201 VanDerWaalsContact CA-O 3.25Å; W70-V201 WeakPolarHBondContact CA-O 3.31Å; W70-V201 VanDerWaalsContact CB-O 3.31Å; W70-V201 WeakPolarHBondContact CB-O 3.29Å; W70-N206 PolarHBondContact NE1-OD1 2.55Å; W70-F207 HydrophobicContact CD2-CB 3.88Å; W70-F207 HydrophobicContact CD2-CD2 4.12Å; W70-F207 HydrophobicContact CD2-CG 4.46Å; W70-F207 VanDerWaalsContact CE2-CA 3.47Å; W70-F207 HydrophobicContact CE3-CB 4.43Å; W70-F207 AromaticContact CE3-CD2 3.81Å; W70-F207 HydrophobicContact CE3-CD2 3.81Å; W70-F207 HydrophobicContact CG-CB 4.1Å; W70-F207 AromaticContact CH2-CD2 3.96Å; W70-F207 HydrophobicContact CH2-CD2 3.96Å; W70-F207 VanDerWaalsContact CZ2-CA 3.47Å; W70-F207 HydrophobicContact CZ2-CB 4.09Å; W70-F207 HydrophobicContact CZ2-CD2 4.26Å; W70-F207 AromaticContact CZ3-CD2 3.75Å; W70-F207 HydrophobicContact CZ3-CD2 3.75Å; W70-F207 HydrophobicContact CZ3-CE2 4.45Å; W70-A210 HydrophobicContact CH2-CB 3.56Å; W70-A210 HydrophobicContact CZ2-CB 3.61Å
71	I	97	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	104.5	167.3	-52.8	177.2	0	0	0	105.5	P39 M47 L69 E83 R84 L85 F100 H171 V201 Y202	P39-I71 HydrophobicContact CB-CD1 3.91Å; P39-I71 HydrophobicContact CB-CG2 4.48Å; P39-I71 HydrophobicContact CG-CD1 4.04Å; P39-I71 HydrophobicContact CG-CG2 4.12Å; M47-I71 HydrophobicContact CE-CD1 4.29Å; M47-I71 HydrophobicContact SD-CD1 3.99Å; L69-I71 HydrophobicContact CD2-CG1 4.41Å; I71-E83 HydrophobicContact CG2-CG 3.93Å; I71-R84 WeakPolarHBondContact CA-O 3.29Å; I71-L85 HydrophobicContact CB-CD2 4.44Å; I71-L85 HydrophobicContact CD1-CD2 4.45Å; I71-L85 HydrophobicContact CG1-CD2 3.66Å; I71-F100 HydrophobicContact CD1-CE1 4.03Å; I71-F100 HydrophobicContact CD1-CZ 3.91Å; I71-F100 HydrophobicContact CG1-CZ 4.19Å; I71-F100 HydrophobicContact CG2-CE2 4.41Å; I71-F100 HydrophobicContact CG2-CZ 4Å; I71-H171 WeakPolarHBondContact O-CB 3.4Å; I71-V201 HydrophobicContact CG1-CG2 4.25Å; I71-V201 PolarHBondContact N-O 3.12Å; I71-Y202 HydrophobicContact CB-CD1 3.96Å; I71-Y202 HydrophobicContact CB-CE1 3.82Å; I71-Y202 HydrophobicContact CD1-CE1 3.94Å; I71-Y202 HydrophobicContact CG1-CE1 4.33Å; I71-Y202 HydrophobicContact CG2-CD1 4.46Å; I71-Y202 HydrophobicContact CG2-CE1 4.21Å
72	L	97.9	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	174	-173.7	-62	-176.7	0	0	0	111.9	W70 R84 I86 L168 Y202 V204 F207	W70-L72 HydrophobicContact CB-CD1 3.99Å; W70-L72 HydrophobicContact CB-CD2 4.12Å; W70-L72 HydrophobicContact CB-CG 3.68Å; W70-L72 HydrophobicContact CG-CD1 4.46Å; L72-R84 PolarHBondContact N-O 2.84Å; L72-R84 PolarHBondContact O-N 3.36Å; L72-I86 HydrophobicContact CB-CG1 4.07Å; L72-I86 HydrophobicContact CD1-CB 4.44Å; L72-I86 HydrophobicContact CD1-CG1 3.93Å; L72-I86 HydrophobicContact CG-CG1 4.21Å; L72-L168 HydrophobicContact CD1-CD1 4.48Å; L72-Y202 WeakPolarHBondContact CD2-O 3.14Å; L72-V204 HydrophobicContact CD1-CB 4.33Å; L72-V204 HydrophobicContact CD1-CG2 4.16Å; L72-V204 HydrophobicContact CD2-CB 4.43Å; L72-F207 HydrophobicContact CD1-CB 3.97Å; L72-F207 HydrophobicContact CD1-CD1 4.37Å; L72-F207 HydrophobicContact CD1-CG 4.21Å
73	T	97.8	Very high	94.4	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119	173.6	-55.2	0	0	0	0	109.7	E81 H82 L168 T169 H170 H171 F247	T73-E81 HydrophobicContact CG2-CB 3.63Å; T73-E81 HydrophobicContact CG2-CG 3.75Å; T73-H82 WeakPolarHBondContact CA-O 3.21Å; T73-L168 CarbonylContact O-C 3.59Å; T73-L168 VanDerWaalsContact O-CA 3.28Å; T73-L168 WeakPolarHBondContact O-CA 3.04Å; T73-T169 HydrophobicContact CG2-CG2 3.88Å; T73-T169 PolarHBondContact N-O 2.84Å; T73-T169 VanDerWaalsContact N-O 3.14Å; T73-T169 PolarHBondContact O-N 2.87Å; T73-H170 WeakPolarHBondContact CB-O 3.22Å; T73-H170 PolarHBondContact OG1-O 2.83Å; T73-H171 WeakPolarHBondContact OG1-CA 3.41Å; T73-F247 HydrophobicContact CG2-CE1 4.38Å; T73-F247 HydrophobicContact CG2-CZ 3.86Å
74	L	96.6	Very high	94.5	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.084	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.8	166	179.1	82.5	0	0	0	109.6	H82 R84 I95 A166 L168	L74-H82 PolarHBondContact N-O 2.69Å; L74-H82 PolarHBondContact O-N 3.07Å; L74-R84 HydrophobicContact CB-CB 4.39Å; L74-R84 HydrophobicContact CB-CG 3.6Å; L74-R84 HydrophobicContact CD2-CG 4.15Å; L74-R84 HydrophobicContact CG-CG 4.48Å; L74-I95 HydrophobicContact CD2-CG2 4.48Å; L74-A166 HydrophobicContact CD1-CB 3.76Å; L74-L168 HydrophobicContact CB-CD2 4.12Å; L74-L168 HydrophobicContact CD1-CD2 3.76Å
75	I	93.8	Very high	94.6	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.036	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.5	171.9	-58.1	162.4	0	0	0	107.8	N80 E81 L124 T167 T169 I229	I75-N80 WeakPolarHBondContact CA-O 3.34Å; I75-E81 HydrophobicContact CG1-CG 4.14Å; I75-L124 HydrophobicContact CD1-CD1 3.26Å; I75-L124 HydrophobicContact CD1-CD2 4.01Å; I75-L124 HydrophobicContact CD1-CG 4.26Å; I75-T167 HydrophobicContact CB-CG2 4.41Å; I75-T167 HydrophobicContact CD1-CG2 4.23Å; I75-T167 PolarHBondContact N-O 3.46Å; I75-T169 HydrophobicContact CD1-CG2 3.86Å; I75-T169 HydrophobicContact CG1-CG2 4.25Å; I75-I229 HydrophobicContact CD1-CD1 4.43Å; I75-I229 HydrophobicContact CG2-CD1 3.94Å; I75-I229 HydrophobicContact CG2-CG1 4.48Å
76	D	90	Very high	94.7	Very high	13 Å²	13	17.2 Å²	17.2	7%	0.07	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-77.7	169.1	174	71.8	25.4	0	0	0	112.1	W78 N79 N80 H82	D76-W78 PolarHBondContact O-N 2.94Å; D76-W78 VanDerWaalsContact O-N 3.08Å; D76-W78 VanDerWaalsContact OD1-C 3.3Å; D76-W78 VanDerWaalsContact OD1-CA 3.29Å; D76-W78 WeakPolarHBondContact OD1-CA 3.23Å; D76-W78 WeakPolarHBondContact OD1-CB 3.3Å; D76-W78 PolarHBondContact OD1-N 3.27Å; D76-N79 WeakPolarHBondContact O-CA 3.39Å; D76-N79 PolarHBondContact O-N 3.18Å; D76-N79 PolarHBondContact OD1-N 2.88Å; D76-N79 VanDerWaalsContact OD1-N 3.16Å; D76-N80 PolarHBondContact N-O 3.31Å; D76-N80 PolarHBondContact OD1-N 2.93Å; D76-N80 PolarHBondContact OD1-ND2 3.2Å; D76-N80 WeakPolarHBondContact OD2-CB 3.18Å; D76-N80 PolarHBondContact OD2-ND2 3.2Å; D76-N80 VanDerWaalsContact OD2-ND2 3.09Å; D76-H82 IonicContact OD2-CD2 2.67Å; D76-H82 IonicContact OD2-CE1 3.37Å; D76-H82 IonicContact OD2-NE2 3.38Å; D76-H82 PolarHBondContact OD2-NE2 3.33Å
77	H	83.9	Confident	94.8	Very high	22 Å²	22	14.1 Å²	14.1	10%	0.102	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.6	179.3	64.6	-66.5	0	0	0	114.1	N79 Q154 K155 N157 L163	H77-N79 VanDerWaalsContact C-N 3.34Å; H77-Q154 PolarHBondContact NE2-O 2.73Å; H77-K155 PolarHBondContact CD2-O 2.91Å; H77-K155 PolarHBondContact NE2-O 3.21Å; H77-N157 PolarHBondContact CE1-O 3.18Å; H77-N157 PolarHBondContact NE2-O 3Å; H77-L163 HydrophobicContact CB-CD1 3.59Å
78	W	86	Confident	94.9	Very high	79 Å²	79	11.8 Å²	11.8	30%	0.299	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9.3	172.5	-81.1	50.9	0	0	0	112.4	D76 N80 K155 W156 P158 N234 S237	D76-W78 PolarHBondContact O-N 2.94Å; D76-W78 VanDerWaalsContact O-N 3.08Å; D76-W78 VanDerWaalsContact OD1-C 3.3Å; D76-W78 VanDerWaalsContact OD1-CA 3.29Å; D76-W78 WeakPolarHBondContact OD1-CA 3.23Å; D76-W78 WeakPolarHBondContact OD1-CB 3.3Å; D76-W78 PolarHBondContact OD1-N 3.27Å; W78-N80 PolarHBondContact O-N 3.34Å; W78-K155 PolarHBondContact NE1-O 3.16Å; W78-W156 WeakPolarHBondContact CZ2-O 3.46Å; W78-P158 HydrophobicContact CD2-CB 3.73Å; W78-P158 HydrophobicContact CE3-CB 3.98Å; W78-P158 HydrophobicContact CG-CB 4.1Å; W78-P158 HydrophobicContact CH2-CB 4.47Å; W78-P158 HydrophobicContact CH2-CG 4.4Å; W78-P158 HydrophobicContact CZ2-CB 4.25Å; W78-P158 HydrophobicContact CZ2-CG 4.34Å; W78-P158 HydrophobicContact CZ3-CB 4.34Å; W78-N234 PolarHBondContact O-ND2 3.31Å; W78-S237 WeakPolarHBondContact O-CB 3.19Å
79	N	89.6	Confident	95	Very high	5 Å²	5	11.8 Å²	11.8	3%	0.027	5%	0.053	C	C	.	.			trans	67.4	15.4	-176.5	-173.5	66.2	0	0	0	114.2	D76 H77 F126 M132 R135 I229 S237 N241	D76-N79 WeakPolarHBondContact O-CA 3.39Å; D76-N79 PolarHBondContact O-N 3.18Å; D76-N79 PolarHBondContact OD1-N 2.88Å; D76-N79 VanDerWaalsContact OD1-N 3.16Å; H77-N79 VanDerWaalsContact C-N 3.34Å; N79-F126 HydrophobicContact CB-CE1 4.23Å; N79-F126 WeakPolarHBondContact OD1-CE1 3.37Å; N79-F126 WeakPolarHBondContact OD1-CZ 3.41Å; N79-M132 VanDerWaalsContact ND2-CE 3.33Å; N79-M132 WeakPolarHBondContact ND2-CE 3.5Å; N79-R135 PolarHBondContact OD1-NH1 2.84Å; N79-I229 HydrophobicContact CB-CG2 3.8Å; N79-I229 WeakPolarHBondContact OD1-CD1 3.38Å; N79-S237 PolarHBondContact ND2-OG 2.68Å; N79-N241 PolarHBondContact O-ND2 2.82Å
80	N	91.3	Very high	95	Very high	19 Å²	19	16.4 Å²	16.4	10%	0.102	7%	0.074	C	C	.	.			trans	-80.2	136.8	173.4	-48.1	-59.7	0	0	0	110.2	I75 D76 W78 H82 S237 F240 N241	I75-N80 WeakPolarHBondContact CA-O 3.34Å; D76-N80 PolarHBondContact N-O 3.31Å; D76-N80 PolarHBondContact OD1-N 2.93Å; D76-N80 PolarHBondContact OD1-ND2 3.2Å; D76-N80 WeakPolarHBondContact OD2-CB 3.18Å; D76-N80 PolarHBondContact OD2-ND2 3.2Å; D76-N80 VanDerWaalsContact OD2-ND2 3.09Å; W78-N80 PolarHBondContact O-N 3.34Å; N80-H82 WeakPolarHBondContact CB-NE2 3.43Å; N80-H82 PolarHBondContact O-CD2 2.68Å; N80-H82 VanDerWaalsContact O-CD2 3.26Å; N80-S237 WeakPolarHBondContact OD1-CA 3.11Å; N80-S237 WeakPolarHBondContact OD1-CB 3.11Å; N80-F240 HydrophobicContact CB-CD1 3.78Å; N80-F240 HydrophobicContact CB-CE1 3.87Å; N80-F240 HydrophobicContact CB-CG 4.42Å; N80-N241 WeakPolarHBondContact CA-OD1 3.48Å
81	E	94.6	Very high	95	Very high	37 Å²	37	22 Å²	22	17%	0.173	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.6	178.8	-74.4	175.7	-170.5	0	0	111.1	T73 I75 R135 F240 N241 G246 F247	T73-E81 HydrophobicContact CG2-CB 3.63Å; T73-E81 HydrophobicContact CG2-CG 3.75Å; I75-E81 HydrophobicContact CG1-CG 4.14Å; E81-R135 IonicContact OE1-CZ 3.15Å; E81-R135 IonicContact OE1-NH1 2.74Å; E81-R135 PolarHBondContact OE1-NH1 2.79Å; E81-R135 IonicContact OE1-NH2 2.97Å; E81-R135 PolarHBondContact OE1-NH2 3.15Å; E81-F240 WeakPolarHBondContact O-CE1 3.13Å; E81-N241 PolarHBondContact N-OD1 2.93Å; E81-G246 WeakPolarHBondContact O-CA 3.21Å; E81-F247 HydrophobicContact CB-CE2 4.04Å; E81-F247 HydrophobicContact CB-CZ 4.09Å
82	H	95.5	Very high	95	Very high	22 Å²	22	22.7 Å²	22.7	10%	0.102	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.6	-179	-54.9	-99.1	0	0	0	111.6	T73 L74 D76 N80 R84	T73-H82 WeakPolarHBondContact CA-O 3.21Å; L74-H82 PolarHBondContact N-O 2.69Å; L74-H82 PolarHBondContact O-N 3.07Å; D76-H82 IonicContact OD2-CD2 2.67Å; D76-H82 IonicContact OD2-CE1 3.37Å; D76-H82 IonicContact OD2-NE2 3.38Å; D76-H82 PolarHBondContact OD2-NE2 3.33Å; N80-H82 WeakPolarHBondContact CB-NE2 3.43Å; N80-H82 PolarHBondContact O-CD2 2.68Å; N80-H82 VanDerWaalsContact O-CD2 3.26Å; H82-R84 VanDerWaalsContact CB-NH1 3.33Å; H82-R84 PolarHBondContact O-N 3.38Å
83	E	97.4	Very high	95	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.056	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.7	170.4	-167.1	174.1	-116.2	0	0	110.2	P39 I71 F100 H171 G246 F247 A248	P39-E83 VanDerWaalsContact CG-OE1 3.31Å; P39-E83 WeakPolarHBondContact CG-OE1 3.44Å; I71-E83 HydrophobicContact CG2-CG 3.93Å; E83-F100 HydrophobicContact CG-CE2 3.9Å; E83-F100 VanDerWaalsContact OE2-CD2 3.25Å; E83-F100 WeakPolarHBondContact OE2-CD2 3.43Å; E83-F100 WeakPolarHBondContact OE2-CE2 3.29Å; E83-H171 IonicContact OE1-CE1 3.41Å; E83-H171 PolarHBondContact OE1-CE1 3.01Å; E83-H171 IonicContact OE1-NE2 2.78Å; E83-H171 PolarHBondContact OE1-NE2 3.45Å; E83-G246 WeakPolarHBondContact CB-O 3.1Å; E83-G246 PolarHBondContact N-O 3.15Å; E83-F247 HydrophobicContact CB-CD1 3.66Å; E83-F247 HydrophobicContact CB-CE1 4.21Å; E83-F247 HydrophobicContact CB-CG 4.35Å; E83-F247 HydrophobicContact CG-CD1 4.14Å; E83-A248 VanDerWaalsContact OE2-CB 3.22Å; E83-A248 WeakPolarHBondContact OE2-CB 3.41Å; E83-A248 PolarHBondContact OE2-N 2.9Å
84	R	97.7	Very high	95	Very high	14 Å²	14	23 Å²	23	5%	0.053	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.5	179.8	-69.6	-65.4	178.3	-85.5	-8.2	110.7	I71 L72 L74 H82 I86 I95 L96	I71-R84 WeakPolarHBondContact CA-O 3.29Å; L72-R84 PolarHBondContact N-O 2.84Å; L72-R84 PolarHBondContact O-N 3.36Å; L74-R84 HydrophobicContact CB-CB 4.39Å; L74-R84 HydrophobicContact CB-CG 3.6Å; L74-R84 HydrophobicContact CD2-CG 4.15Å; L74-R84 HydrophobicContact CG-CG 4.48Å; H82-R84 VanDerWaalsContact CB-NH1 3.33Å; H82-R84 PolarHBondContact O-N 3.38Å; R84-I86 HydrophobicContact CB-CD1 4.23Å; R84-I95 HydrophobicContact CB-CG2 4.29Å; R84-I95 HydrophobicContact CG-CG2 4.07Å; R84-L96 WeakPolarHBondContact CA-O 3.35Å; R84-L96 WeakPolarHBondContact CD-O 3.33Å
85	L	98.2	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.7	160.8	-55.3	177.4	0	0	0	108.2	L50 I54 L69 W70 I71 L96 Y98 F100	L50-L85 HydrophobicContact CD1-CD1 3.91Å; L50-L85 HydrophobicContact CD2-CD1 4.1Å; L50-L85 HydrophobicContact CD2-CD2 4.06Å; L50-L85 HydrophobicContact CG-CD1 4.38Å; I54-L85 HydrophobicContact CD1-CD1 4.09Å; I54-L85 HydrophobicContact CG1-CD1 4.31Å; L69-L85 HydrophobicContact CD1-CD1 4.46Å; L69-L85 HydrophobicContact CD2-CD2 4.04Å; W70-L85 CarbonylContact O-C 3.51Å; W70-L85 VanDerWaalsContact O-CA 3.29Å; W70-L85 WeakPolarHBondContact O-CA 3.48Å; I71-L85 HydrophobicContact CB-CD2 4.44Å; I71-L85 HydrophobicContact CD1-CD2 4.45Å; I71-L85 HydrophobicContact CG1-CD2 3.66Å; L85-L96 HydrophobicContact CB-CB 4.11Å; L85-L96 HydrophobicContact CB-CD1 4.34Å; L85-L96 PolarHBondContact N-O 3.06Å; L85-L96 PolarHBondContact O-N 2.93Å; L85-Y98 VanDerWaalsContact CD1-CB 3.48Å; L85-Y98 HydrophobicContact CD1-CD1 4.05Å; L85-Y98 HydrophobicContact CD1-CD2 4.1Å; L85-Y98 HydrophobicContact CD1-CG 3.63Å; L85-Y98 HydrophobicContact CG-CG 4.33Å; L85-F100 HydrophobicContact CD2-CE1 4.26Å; L85-F100 HydrophobicContact CD2-CE2 4.45Å; L85-F100 HydrophobicContact CD2-CZ 3.59Å; L85-F100 HydrophobicContact CG-CZ 4.34Å
86	I	98.4	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.3	168.3	-51.6	-57	0	0	0	106.7	L69 W70 L72 R84 Y94 I95 L168 F207	L69-I86 CarbonylContact C-O 3.52Å; L69-I86 VanDerWaalsContact CA-O 3.31Å; L69-I86 WeakPolarHBondContact CA-O 3.29Å; W70-I86 HydrophobicContact CB-CB 4.42Å; W70-I86 HydrophobicContact CE3-CG2 4.48Å; W70-I86 PolarHBondContact N-O 3.11Å; W70-I86 PolarHBondContact O-N 3.04Å; L72-I86 HydrophobicContact CB-CG1 4.07Å; L72-I86 HydrophobicContact CD1-CB 4.44Å; L72-I86 HydrophobicContact CD1-CG1 3.93Å; L72-I86 HydrophobicContact CG-CG1 4.21Å; R84-I86 HydrophobicContact CB-CD1 4.23Å; I86-Y94 VanDerWaalsContact CA-O 3.3Å; I86-Y94 WeakPolarHBondContact CA-O 3.45Å; I86-I95 HydrophobicContact CD1-CB 4.21Å; I86-I95 HydrophobicContact CD1-CG1 3.94Å; I86-I95 HydrophobicContact CD1-CG2 4.01Å; I86-L168 HydrophobicContact CD1-CD1 4.05Å; I86-L168 HydrophobicContact CD1-CD2 3.81Å; I86-L168 HydrophobicContact CG1-CD1 4.1Å; I86-L168 HydrophobicContact CG1-CD2 4.31Å; I86-F207 HydrophobicContact CG2-CD2 3.88Å; I86-F207 HydrophobicContact CG2-CE2 3.58Å; I86-F207 HydrophobicContact CG2-CZ 4.05Å
87	V	98.3	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.4	178.4	-175.4	0	0	0	0	107.9	I54 L59 F66 L69 F93 Y94 L96	I54-V87 HydrophobicContact CG2-CG2 3.87Å; L59-V87 HydrophobicContact CD2-CG1 4.2Å; F66-V87 HydrophobicContact CD2-CG1 3.79Å; F66-V87 HydrophobicContact CE2-CG1 3.65Å; L69-V87 HydrophobicContact CD1-CG2 4.01Å; L69-V87 HydrophobicContact CG-CG2 4.18Å; V87-F93 CarbonylContact O-C 3.53Å; V87-F93 WeakPolarHBondContact O-CA 3.46Å; V87-Y94 PolarHBondContact N-O 2.78Å; V87-Y94 VanDerWaalsContact N-O 3.09Å; V87-Y94 PolarHBondContact O-N 3.13Å; V87-L96 HydrophobicContact CG2-CD1 3.88Å
88	L	98.4	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.1	174.5	-174.3	65.5	0	0	0	109.2	I67 A68 W70 F93 L113 A210 L211 A214	I67-L88 HydrophobicContact CB-CB 4.48Å; I67-L88 HydrophobicContact CB-CG 4.4Å; I67-L88 WeakPolarHBondContact CB-O 3.44Å; I67-L88 HydrophobicContact CD1-CD2 4.37Å; I67-L88 HydrophobicContact CD1-CG 4.21Å; I67-L88 HydrophobicContact CG2-CD2 4.32Å; I67-L88 PolarHBondContact N-O 2.89Å; A68-L88 PolarHBondContact N-O 3.01Å; A68-L88 PolarHBondContact O-N 2.9Å; W70-L88 HydrophobicContact CH2-CB 3.93Å; W70-L88 HydrophobicContact CH2-CD2 4.09Å; W70-L88 HydrophobicContact CZ3-CB 3.57Å; L88-F93 HydrophobicContact CD1-CB 4.01Å; L88-L113 HydrophobicContact CD1-CD1 4.35Å; L88-L113 HydrophobicContact CD1-CD2 3.95Å; L88-A210 HydrophobicContact CD2-CB 3.72Å; L88-L211 HydrophobicContact CD1-CD1 4.05Å; L88-A214 HydrophobicContact CD1-CB 4.43Å; L88-A214 HydrophobicContact CD2-CB 4.06Å; L88-A214 HydrophobicContact CG-CB 4.49Å
89	T	98	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	174.4	169.5	77	0	0	0	0	108.9	L59 D63 A65 R91 N92	L59-T89 HydrophobicContact CD1-CG2 4.12Å; L59-T89 HydrophobicContact CD2-CG2 4.02Å; D63-T89 HydrophobicContact CB-CG2 4Å; D63-T89 WeakPolarHBondContact O-CB 3.46Å; D63-T89 PolarHBondContact O-OG1 2.99Å; A65-T89 CarbonylContact O-C 3.56Å; A65-T89 WeakPolarHBondContact O-CA 3.36Å; A65-T89 WeakPolarHBondContact O-CB 3.39Å; T89-R91 PolarHBondContact O-N 3.24Å; T89-R91 VanDerWaalsContact O-N 3.12Å; T89-R91 PolarHBondContact OG1-N 3.29Å; T89-N92 PolarHBondContact N-O 2.85Å; T89-N92 PolarHBondContact OG1-N 2.82Å; T89-N92 VanDerWaalsContact OG1-N 3.09Å; T89-N92 PolarHBondContact OG1-O 3.09Å; T89-N92 VanDerWaalsContact OG1-O 3.13Å
90	E	96.9	Very high	96.8	Very high	97 Å²	97	25.8 Å²	25.8	45%	0.453	11%	0.111	S	C	.	.	S	Bend	trans	-56.3	-28	178.4	-67.2	176.2	149.3	0	0	114.2	G64 A65	G64-E90 VanDerWaalsContact CA-OE2 3.32Å; G64-E90 WeakPolarHBondContact CA-OE2 3.32Å; A65-E90 HydrophobicContact CB-CG 3.89Å; A65-E90 VanDerWaalsContact N-CD 3.3Å; A65-E90 PolarHBondContact N-OE2 3.29Å; A65-E90 PolarHBondContact O-N 3.47Å
91	R	97.3	Very high	96.8	Very high	119 Å²	119	28.2 Å²	28.2	45%	0.449	12%	0.123	S	C	.	.	S	Bend	trans	-124.2	-14.9	-172.8	-63.1	-171.5	-73.3	-85.5	8	114.8	P61 E62 D63 G64 T89 L113	P61-R91 PolarHBondContact O-NH2 2.92Å; E62-R91 VanDerWaalsContact C-NH2 3.3Å; E62-R91 VanDerWaalsContact O-CZ 3.29Å; E62-R91 PolarHBondContact O-NE 3.2Å; E62-R91 PolarHBondContact O-NH2 2.85Å; D63-R91 WeakPolarHBondContact O-CB 3.35Å; D63-R91 PolarHBondContact O-N 2.97Å; D63-R91 VanDerWaalsContact O-N 3.1Å; G64-R91 VanDerWaalsContact CA-CZ 3.46Å; G64-R91 VanDerWaalsContact CA-NH2 3.28Å; T89-R91 PolarHBondContact O-N 3.24Å; T89-R91 VanDerWaalsContact O-N 3.12Å; T89-R91 PolarHBondContact OG1-N 3.29Å; R91-L113 PolarHBondContact O-N 2.83Å
92	N	97.7	Very high	96.6	Very high	13 Å²	13	31.3 Å²	31.3	7%	0.07	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.5	-175.5	-62.6	-93.6	0	0	0	111	D63 T89 Y94 R110 V111 G112	D63-N92 PolarHBondContact OD1-ND2 2.79Å; T89-N92 PolarHBondContact N-O 2.85Å; T89-N92 PolarHBondContact OG1-N 2.82Å; T89-N92 VanDerWaalsContact OG1-N 3.09Å; T89-N92 PolarHBondContact OG1-O 3.09Å; T89-N92 VanDerWaalsContact OG1-O 3.13Å; N92-Y94 HydrophobicContact CB-CE2 4.23Å; N92-R110 HydrophobicContact CB-CG 4.19Å; N92-R110 PolarHBondContact ND2-NH2 2.87Å; N92-R110 VanDerWaalsContact ND2-NH2 3.15Å; N92-R110 PolarHBondContact OD1-NE 3.09Å; N92-V111 CarbonylContact C-O 3.58Å; N92-V111 VanDerWaalsContact CA-O 3.31Å; N92-V111 WeakPolarHBondContact CA-O 3.5Å; N92-G112 VanDerWaalsContact OD1-CA 3.26Å; N92-G112 WeakPolarHBondContact OD1-CA 3.44Å; N92-G112 PolarHBondContact OD1-N 2.88Å
93	F	97.7	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153	158.5	76.3	-85.1	0	0	0	110.4	V87 L88 I95 V111 L113 L116 L142 W144	V87-F93 CarbonylContact O-C 3.53Å; V87-F93 WeakPolarHBondContact O-CA 3.46Å; L88-F93 HydrophobicContact CD1-CB 4.01Å; F93-I95 HydrophobicContact CD2-CG1 4.26Å; F93-I95 HydrophobicContact CE2-CD1 4.01Å; F93-I95 HydrophobicContact CE2-CG1 3.96Å; F93-V111 HydrophobicContact CD1-CB 3.93Å; F93-V111 HydrophobicContact CD1-CG1 4.27Å; F93-V111 HydrophobicContact CE1-CB 3.37Å; F93-V111 HydrophobicContact CE1-CG1 3.41Å; F93-V111 VanDerWaalsContact CE1-CG1 3.41Å; F93-V111 HydrophobicContact CE1-CG2 4.18Å; F93-V111 HydrophobicContact CE2-CB 4.2Å; F93-V111 HydrophobicContact CE2-CG2 4.26Å; F93-V111 HydrophobicContact CZ-CB 3.51Å; F93-V111 HydrophobicContact CZ-CG1 3.77Å; F93-V111 HydrophobicContact CZ-CG2 3.79Å; F93-V111 PolarHBondContact N-O 3.16Å; F93-V111 PolarHBondContact O-N 2.84Å; F93-L113 HydrophobicContact CB-CD2 4.49Å; F93-L113 HydrophobicContact CD1-CD2 4.02Å; F93-L116 HydrophobicContact CD1-CD1 4.25Å; F93-L116 HydrophobicContact CE1-CD1 3.91Å; F93-L116 HydrophobicContact CE1-CD2 3.78Å; F93-L116 HydrophobicContact CE1-CG 3.93Å; F93-L116 HydrophobicContact CZ-CD2 4.22Å; F93-L142 HydrophobicContact CD2-CD1 4.3Å; F93-L142 HydrophobicContact CE2-CD1 3.71Å; F93-L142 HydrophobicContact CZ-CB 4.47Å; F93-L142 HydrophobicContact CZ-CD1 3.85Å; F93-W144 HydrophobicContact CE2-CZ3 4.31Å; F93-W144 AromaticContact CZ-CE3 3.82Å; F93-W144 HydrophobicContact CZ-CE3 3.82Å; F93-W144 AromaticContact CZ-CZ3 3.72Å; F93-W144 HydrophobicContact CZ-CZ3 3.72Å
94	Y	98	Very high	96.4	Very high	8 Å²	8	37.8 Å²	37.8	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.1	177.8	-69.4	-101.8	0	0	0	111.2	V58 L59 D63 I86 V87 N92 L96 R109 R110	V58-Y94 HydrophobicContact CG1-CD1 4.06Å; V58-Y94 HydrophobicContact CG1-CE1 4.03Å; L59-Y94 HydrophobicContact CD2-CD2 3.88Å; L59-Y94 HydrophobicContact CD2-CE2 3.51Å; D63-Y94 PolarHBondContact OD1-OH 3.49Å; D63-Y94 VanDerWaalsContact OD1-OH 3.12Å; D63-Y94 PolarHBondContact OD2-OH 3.33Å; I86-Y94 VanDerWaalsContact CA-O 3.3Å; I86-Y94 WeakPolarHBondContact CA-O 3.45Å; V87-Y94 PolarHBondContact N-O 2.78Å; V87-Y94 VanDerWaalsContact N-O 3.09Å; V87-Y94 PolarHBondContact O-N 3.13Å; N92-Y94 HydrophobicContact CB-CE2 4.23Å; Y94-L96 HydrophobicContact CD1-CD2 3.99Å; Y94-L96 HydrophobicContact CG-CD2 4.33Å; Y94-R109 CarbonylContact C-O 3.49Å; Y94-R109 VanDerWaalsContact CA-O 3.23Å; Y94-R109 WeakPolarHBondContact CA-O 3.21Å; Y94-R110 HydrophobicContact CD1-CB 3.85Å; Y94-R110 HydrophobicContact CD1-CG 4.19Å; Y94-R110 HydrophobicContact CE1-CB 3.5Å; Y94-R110 VanDerWaalsContact CE1-CB 3.5Å; Y94-R110 HydrophobicContact CE1-CG 3.58Å; Y94-R110 HydrophobicContact CE2-CG 4.05Å; Y94-R110 WeakPolarHBondContact OH-CD 3.29Å; Y94-R110 PolarHBondContact OH-NE 3.32Å; Y94-R110 VanDerWaalsContact OH-NE 3.14Å
95	I	97.7	Very high	96.3	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.6	164.2	-54.7	171.1	0	0	0	106.7	L74 R84 I86 F93 R109 W144 A166	L74-I95 HydrophobicContact CD2-CG2 4.48Å; R84-I95 HydrophobicContact CB-CG2 4.29Å; R84-I95 HydrophobicContact CG-CG2 4.07Å; I86-I95 HydrophobicContact CD1-CB 4.21Å; I86-I95 HydrophobicContact CD1-CG1 3.94Å; I86-I95 HydrophobicContact CD1-CG2 4.01Å; F93-I95 HydrophobicContact CD2-CG1 4.26Å; F93-I95 HydrophobicContact CE2-CD1 4.01Å; F93-I95 HydrophobicContact CE2-CG1 3.96Å; I95-R109 HydrophobicContact CB-CB 4.38Å; I95-R109 PolarHBondContact N-O 2.8Å; I95-R109 PolarHBondContact O-N 2.87Å; I95-W144 HydrophobicContact CD1-CH2 4.25Å; I95-A166 HydrophobicContact CD1-CB 3.42Å; I95-A166 VanDerWaalsContact CD1-CB 3.42Å
96	L	97.2	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130	-176.5	-45.4	176.9	0	0	0	110.6	I54 V58 R84 L85 V87 Y94 Y98	I54-L96 HydrophobicContact CD1-CD1 3.76Å; I54-L96 HydrophobicContact CG2-CD1 4.22Å; V58-L96 HydrophobicContact CG1-CD1 4.17Å; V58-L96 HydrophobicContact CG1-CD2 3.9Å; V58-L96 HydrophobicContact CG2-CD1 4.43Å; R84-L96 WeakPolarHBondContact CA-O 3.35Å; R84-L96 WeakPolarHBondContact CD-O 3.33Å; L85-L96 HydrophobicContact CB-CB 4.11Å; L85-L96 HydrophobicContact CB-CD1 4.34Å; L85-L96 PolarHBondContact N-O 3.06Å; L85-L96 PolarHBondContact O-N 2.93Å; V87-L96 HydrophobicContact CG2-CD1 3.88Å; Y94-L96 HydrophobicContact CD1-CD2 3.99Å; Y94-L96 HydrophobicContact CG-CD2 4.33Å; L96-Y98 PolarHBondContact O-N 3.47Å
97	R	96.3	Very high	95.9	Very high	125 Å²	125	47.8 Å²	47.8	47%	0.472	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	94.7	162.4	-176.1	-177.1	178.4	-173.1	0.7	107.8	R106 D107	R97-R106 HydrophobicContact CB-CB 4.36Å; R97-R106 HydrophobicContact CG-CB 4.04Å; R97-R106 WeakPolarHBondContact O-CB 3.38Å; R97-R106 PolarHBondContact O-N 3.44Å; R97-D107 HydrophobicContact CB-CB 3.96Å; R97-D107 PolarHBondContact N-O 2.74Å
98	Y	96.8	Very high	95.7	Very high	26 Å²	26	50.8 Å²	50.8	10%	0.102	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.2	175.5	-172.8	-109	0	0	0	110.8	L50 Y53 L85 L96 F100 C103 R104 V105	L50-Y98 HydrophobicContact CD1-CD1 4.24Å; L50-Y98 HydrophobicContact CD1-CD2 4.35Å; L50-Y98 HydrophobicContact CD1-CE1 3.69Å; L50-Y98 HydrophobicContact CD1-CE2 3.84Å; L50-Y98 VanDerWaalsContact CD1-CZ 3.46Å; Y53-Y98 HydrophobicContact CD1-CE2 4.12Å; Y53-Y98 HydrophobicContact CE1-CD2 4.41Å; Y53-Y98 AromaticContact CE1-CE2 3.72Å; Y53-Y98 HydrophobicContact CE1-CE2 3.72Å; L85-Y98 VanDerWaalsContact CD1-CB 3.48Å; L85-Y98 HydrophobicContact CD1-CD1 4.05Å; L85-Y98 HydrophobicContact CD1-CD2 4.1Å; L85-Y98 HydrophobicContact CD1-CG 3.63Å; L85-Y98 HydrophobicContact CG-CG 4.33Å; L96-Y98 PolarHBondContact O-N 3.47Å; Y98-F100 HydrophobicContact CD1-CB 4.38Å; Y98-F100 AromaticContact CD1-CD1 3.62Å; Y98-F100 HydrophobicContact CD1-CD1 3.62Å; Y98-F100 AromaticContact CD1-CD2 3.92Å; Y98-F100 HydrophobicContact CD1-CD2 3.92Å; Y98-F100 AromaticContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE2 4.05Å; Y98-F100 AromaticContact CD1-CG 3.71Å; Y98-F100 HydrophobicContact CD1-CG 3.71Å; Y98-F100 AromaticContact CD1-CZ 3.99Å; Y98-F100 HydrophobicContact CD1-CZ 3.99Å; Y98-F100 HydrophobicContact CE1-CB 4.41Å; Y98-F100 AromaticContact CE1-CD1 3.65Å; Y98-F100 HydrophobicContact CE1-CD1 3.65Å; Y98-F100 HydrophobicContact CE1-CE1 4.02Å; Y98-F100 HydrophobicContact CE1-CG 4Å; Y98-C103 WeakPolarHBondContact OH-CA 3.41Å; Y98-R104 VanDerWaalsContact CD2-C 3.47Å; Y98-R104 WeakPolarHBondContact CD2-O 3.19Å; Y98-V105 HydrophobicContact CD2-CG2 4.14Å
99	D	94.9	Very high	95.5	Very high	34 Å²	34	53.8 Å²	53.8	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	96.3	171.4	-173	-26	0	0	0	108.4	L101 Q102 C103 R104 R106	D99-L101 PolarHBondContact O-N 3.4Å; D99-L101 PolarHBondContact OD1-N 2.9Å; D99-Q102 HydrophobicContact CB-CB 4.21Å; D99-Q102 CarbonylContact O-C 3.47Å; D99-Q102 PolarHBondContact O-N 2.9Å; D99-Q102 PolarHBondContact OD1-N 3.32Å; D99-Q102 WeakPolarHBondContact OD2-CG 3.29Å; D99-Q102 PolarHBondContact OD2-OE1 3.4Å; D99-C103 WeakPolarHBondContact O-CA 3.14Å; D99-C103 PolarHBondContact O-N 2.64Å; D99-R104 HydrophobicContact CB-CG 4.38Å; D99-R104 PolarHBondContact N-O 3.06Å; D99-R104 PolarHBondContact O-N 3.46Å; D99-R106 HydrophobicContact CB-CG 3.83Å; D99-R106 IonicContact OD2-CZ 3.91Å; D99-R106 IonicContact OD2-NE 3.34Å; D99-R106 PolarHBondContact OD2-NE 3.08Å; D99-R106 IonicContact OD2-NH2 2.68Å; D99-R106 PolarHBondContact OD2-NH2 3.23Å
100	F	94.7	Very high	95.4	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.022	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.3	-178.5	-76.1	-82.4	0	0	0	113.9	G36 K37 P39 M42 L50 I71 E83 L85 Y98 A248	G36-F100 CarbonylContact C-O 3.54Å; G36-F100 WeakPolarHBondContact CA-O 3.11Å; K37-F100 PolarHBondContact N-O 3.22Å; K37-F100 VanDerWaalsContact N-O 3.13Å; K37-F100 WeakPolarHBondContact O-CB 3.46Å; P39-F100 HydrophobicContact CG-CD1 3.87Å; P39-F100 HydrophobicContact CG-CD2 3.99Å; P39-F100 HydrophobicContact CG-CE1 3.64Å; P39-F100 HydrophobicContact CG-CE2 3.76Å; P39-F100 HydrophobicContact CG-CG 4.04Å; P39-F100 HydrophobicContact CG-CZ 3.57Å; M42-F100 HydrophobicContact SD-CD1 3.63Å; M42-F100 HydrophobicContact SD-CE1 3.69Å; L50-F100 HydrophobicContact CD2-CE1 4.08Å; I71-F100 HydrophobicContact CD1-CE1 4.03Å; I71-F100 HydrophobicContact CD1-CZ 3.91Å; I71-F100 HydrophobicContact CG1-CZ 4.19Å; I71-F100 HydrophobicContact CG2-CE2 4.41Å; I71-F100 HydrophobicContact CG2-CZ 4Å; E83-F100 HydrophobicContact CG-CE2 3.9Å; E83-F100 VanDerWaalsContact OE2-CD2 3.25Å; E83-F100 WeakPolarHBondContact OE2-CD2 3.43Å; E83-F100 WeakPolarHBondContact OE2-CE2 3.29Å; L85-F100 HydrophobicContact CD2-CE1 4.26Å; L85-F100 HydrophobicContact CD2-CE2 4.45Å; L85-F100 HydrophobicContact CD2-CZ 3.59Å; L85-F100 HydrophobicContact CG-CZ 4.34Å; Y98-F100 HydrophobicContact CD1-CB 4.38Å; Y98-F100 AromaticContact CD1-CD1 3.62Å; Y98-F100 HydrophobicContact CD1-CD1 3.62Å; Y98-F100 AromaticContact CD1-CD2 3.92Å; Y98-F100 HydrophobicContact CD1-CD2 3.92Å; Y98-F100 AromaticContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE2 4.05Å; Y98-F100 AromaticContact CD1-CG 3.71Å; Y98-F100 HydrophobicContact CD1-CG 3.71Å; Y98-F100 AromaticContact CD1-CZ 3.99Å; Y98-F100 HydrophobicContact CD1-CZ 3.99Å; Y98-F100 HydrophobicContact CE1-CB 4.41Å; Y98-F100 AromaticContact CE1-CD1 3.65Å; Y98-F100 HydrophobicContact CE1-CD1 3.65Å; Y98-F100 HydrophobicContact CE1-CE1 4.02Å; Y98-F100 HydrophobicContact CE1-CG 4Å; F100-A248 HydrophobicContact CB-CB 3.95Å; F100-A248 HydrophobicContact CD2-CB 4.17Å; F100-A248 HydrophobicContact CG-CB 4.39Å
101	L	90.5	Very high	95.3	Very high	69 Å²	69	54.2 Å²	54.2	36%	0.361	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-28.3	-178.8	-58.7	-177.2	0	0	0	112	G36 D99	G36-L101 WeakPolarHBondContact CA-O 3.4Å; G36-L101 PolarHBondContact N-O 3.42Å; D99-L101 PolarHBondContact O-N 3.4Å; D99-L101 PolarHBondContact OD1-N 2.9Å
102	Q	91.4	Very high	95.2	Very high	102 Å²	102	49 Å²	49	48%	0.477	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	1.6	178.1	-58.7	-167.9	-8.7	0	0	113.9	D99 R104 R106	D99-Q102 HydrophobicContact CB-CB 4.21Å; D99-Q102 CarbonylContact O-C 3.47Å; D99-Q102 PolarHBondContact O-N 2.9Å; D99-Q102 PolarHBondContact OD1-N 3.32Å; D99-Q102 WeakPolarHBondContact OD2-CG 3.29Å; D99-Q102 PolarHBondContact OD2-OE1 3.4Å; Q102-R104 HydrophobicContact CB-CG 4.12Å; Q102-R104 PolarHBondContact O-N 3.03Å; Q102-R104 VanDerWaalsContact OE1-CZ 3.22Å; Q102-R106 VanDerWaalsContact CD-NH2 3.31Å; Q102-R106 VanDerWaalsContact OE1-CZ 3.3Å
103	C	93.3	Very high	95.2	Very high	58 Å²	58	48.5 Å²	48.5	39%	0.392	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	50.2	-179.2	-60.3	0	0	0	0	114	G36 Y98 D99	G36-C103 WeakPolarHBondContact CA-SG 3.31Å; Y98-C103 WeakPolarHBondContact OH-CA 3.41Å; D99-C103 WeakPolarHBondContact O-CA 3.14Å; D99-C103 PolarHBondContact O-N 2.64Å
104	R	94.1	Very high	95	Very high	113 Å²	113	51.8 Å²	51.8	43%	0.426	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.8	179.2	62.5	173	173.2	176.9	-7.7	114.1	Y98 D99 Q102 R106	Y98-R104 VanDerWaalsContact CD2-C 3.47Å; Y98-R104 WeakPolarHBondContact CD2-O 3.19Å; D99-R104 HydrophobicContact CB-CG 4.38Å; D99-R104 PolarHBondContact N-O 3.06Å; D99-R104 PolarHBondContact O-N 3.46Å; Q102-R104 HydrophobicContact CB-CG 4.12Å; Q102-R104 PolarHBondContact O-N 3.03Å; Q102-R104 VanDerWaalsContact OE1-CZ 3.22Å; R104-R106 VanDerWaalsContact CZ-NH1 3.28Å; R104-R106 VanDerWaalsContact NE-CZ 3.34Å; R104-R106 VanDerWaalsContact NH2-CZ 3.27Å; R104-R106 PolarHBondContact O-N 2.9Å
105	V	96.1	Very high	94.8	Very high	36 Å²	36	57 Å²	57	22%	0.218	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.1	166.2	-177.3	0	0	0	0	109.4	Y53 I54 V58 Y98 D107	Y53-V105 HydrophobicContact CE1-CG2 4.01Å; Y53-V105 PolarHBondContact OH-N 2.86Å; I54-V105 HydrophobicContact CD1-CG2 3.93Å; V58-V105 HydrophobicContact CG2-CG2 3.73Å; Y98-V105 HydrophobicContact CD2-CG2 4.14Å; V105-D107 WeakPolarHBondContact CG1-O 3.4Å
106	R	95.1	Very high	94.7	Very high	110 Å²	110	56.8 Å²	56.8	42%	0.415	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-35.1	177.1	-62.2	-58.2	-155.3	134.1	11.6	112.8	R97 D99 Q102 R104	R97-R106 HydrophobicContact CB-CB 4.36Å; R97-R106 HydrophobicContact CG-CB 4.04Å; R97-R106 WeakPolarHBondContact O-CB 3.38Å; R97-R106 PolarHBondContact O-N 3.44Å; D99-R106 HydrophobicContact CB-CG 3.83Å; D99-R106 IonicContact OD2-CZ 3.91Å; D99-R106 IonicContact OD2-NE 3.34Å; D99-R106 PolarHBondContact OD2-NE 3.08Å; D99-R106 IonicContact OD2-NH2 2.68Å; D99-R106 PolarHBondContact OD2-NH2 3.23Å; Q102-R106 VanDerWaalsContact CD-NH2 3.31Å; Q102-R106 VanDerWaalsContact OE1-CZ 3.3Å; R104-R106 VanDerWaalsContact CZ-NH1 3.28Å; R104-R106 VanDerWaalsContact NE-CZ 3.34Å; R104-R106 VanDerWaalsContact NH2-CZ 3.27Å; R104-R106 PolarHBondContact O-N 2.9Å
107	D	93.3	Very high	94.6	Very high	77 Å²	77	61.3 Å²	61.3	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	147.3	-177.3	-175.7	35.1	0	0	0	108.1	R97 V105	R97-D107 HydrophobicContact CB-CB 3.96Å; R97-D107 PolarHBondContact N-O 2.74Å; V105-D107 WeakPolarHBondContact CG1-O 3.4Å
108	S	93.6	Very high	94.6	Very high	64 Å²	64	55.9 Å²	55.9	45%	0.448	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.1	-179.4	64.4	0	0	0	0	110.8
109	R	94.3	Very high	94.7	Very high	62 Å²	62	54.7 Å²	54.7	23%	0.234	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.6	170.2	166.8	178.3	-80.5	-158.8	-36.1	108	Y94 I95 V111 W144 R161 S162 L163	Y94-R109 CarbonylContact C-O 3.49Å; Y94-R109 VanDerWaalsContact CA-O 3.23Å; Y94-R109 WeakPolarHBondContact CA-O 3.21Å; I95-R109 HydrophobicContact CB-CB 4.38Å; I95-R109 PolarHBondContact N-O 2.8Å; I95-R109 PolarHBondContact O-N 2.87Å; R109-V111 HydrophobicContact CG-CG2 3.96Å; R109-W144 VanDerWaalsContact NH1-CZ2 3.29Å; R109-R161 PolarHBondContact NE-O 2.98Å; R109-R161 PolarHBondContact NH1-O 3.41Å; R109-R161 VanDerWaalsContact NH1-O 3.09Å; R109-R161 PolarHBondContact NH2-O 2.74Å; R109-S162 VanDerWaalsContact NH2-C 3.3Å; R109-S162 VanDerWaalsContact NH2-CA 3.34Å; R109-L163 VanDerWaalsContact CZ-O 3.31Å; R109-L163 PolarHBondContact NH1-O 2.86Å; R109-L163 PolarHBondContact NH2-O 2.89Å
110	R	95.7	Very high	94.8	Very high	103 Å²	103	54.4 Å²	54.4	39%	0.389	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.5	172.7	-174.8	-177	-177.6	-133.9	1.4	109	D63 N92 Y94	D63-R110 IonicContact OD1-CZ 3.1Å; D63-R110 IonicContact OD1-NE 2.75Å; D63-R110 PolarHBondContact OD1-NE 2.92Å; D63-R110 IonicContact OD1-NH2 2.67Å; D63-R110 PolarHBondContact OD1-NH2 2.78Å; N92-R110 HydrophobicContact CB-CG 4.19Å; N92-R110 PolarHBondContact ND2-NH2 2.87Å; N92-R110 VanDerWaalsContact ND2-NH2 3.15Å; N92-R110 PolarHBondContact OD1-NE 3.09Å; Y94-R110 HydrophobicContact CD1-CB 3.85Å; Y94-R110 HydrophobicContact CD1-CG 4.19Å; Y94-R110 HydrophobicContact CE1-CB 3.5Å; Y94-R110 VanDerWaalsContact CE1-CB 3.5Å; Y94-R110 HydrophobicContact CE1-CG 3.58Å; Y94-R110 HydrophobicContact CE2-CG 4.05Å; Y94-R110 WeakPolarHBondContact OH-CD 3.29Å; Y94-R110 PolarHBondContact OH-NE 3.32Å; Y94-R110 VanDerWaalsContact OH-NE 3.14Å
111	V	95.6	Very high	94.9	Very high	3 Å²	3	55 Å²	55	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.1	175.5	-179.7	0	0	0	0	108	N92 F93 R109 Q115 W144	N92-V111 CarbonylContact C-O 3.58Å; N92-V111 VanDerWaalsContact CA-O 3.31Å; N92-V111 WeakPolarHBondContact CA-O 3.5Å; F93-V111 HydrophobicContact CD1-CB 3.93Å; F93-V111 HydrophobicContact CD1-CG1 4.27Å; F93-V111 HydrophobicContact CE1-CB 3.37Å; F93-V111 HydrophobicContact CE1-CG1 3.41Å; F93-V111 VanDerWaalsContact CE1-CG1 3.41Å; F93-V111 HydrophobicContact CE1-CG2 4.18Å; F93-V111 HydrophobicContact CE2-CB 4.2Å; F93-V111 HydrophobicContact CE2-CG2 4.26Å; F93-V111 HydrophobicContact CZ-CB 3.51Å; F93-V111 HydrophobicContact CZ-CG1 3.77Å; F93-V111 HydrophobicContact CZ-CG2 3.79Å; F93-V111 PolarHBondContact N-O 3.16Å; F93-V111 PolarHBondContact O-N 2.84Å; R109-V111 HydrophobicContact CG-CG2 3.96Å; V111-Q115 HydrophobicContact CG1-CB 4.35Å; V111-W144 HydrophobicContact CG1-CB 3.87Å; V111-W144 HydrophobicContact CG1-CD2 3.88Å; V111-W144 HydrophobicContact CG1-CE3 4.15Å; V111-W144 HydrophobicContact CG1-CG 3.75Å; V111-W144 HydrophobicContact CG2-CD2 3.94Å; V111-W144 HydrophobicContact CG2-CE3 4.24Å; V111-W144 HydrophobicContact CG2-CG 4.41Å; V111-W144 HydrophobicContact CG2-CH2 4.36Å; V111-W144 HydrophobicContact CG2-CZ2 4.09Å; V111-W144 HydrophobicContact CG2-CZ3 4.43Å
112	G	96.1	Very high	95.2	Very high	11 Å²	11	52.3 Å²	52.3	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.2	175.2	0	0	0	0	0	110.4	N92 G114 Q115	N92-G112 VanDerWaalsContact OD1-CA 3.26Å; N92-G112 WeakPolarHBondContact OD1-CA 3.44Å; N92-G112 PolarHBondContact OD1-N 2.88Å; G112-G114 PolarHBondContact O-N 2.97Å; G112-Q115 WeakPolarHBondContact O-CB 3.43Å; G112-Q115 PolarHBondContact O-N 2.86Å
113	L	97	Very high	95.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.1	-37.1	176.9	-64.7	-178	0	0	0	111.1	L88 R91 F93 Q115 L116 L211 A214 M218	L88-L113 HydrophobicContact CD1-CD1 4.35Å; L88-L113 HydrophobicContact CD1-CD2 3.95Å; R91-L113 PolarHBondContact O-N 2.83Å; F93-L113 HydrophobicContact CB-CD2 4.49Å; F93-L113 HydrophobicContact CD1-CD2 4.02Å; L113-Q115 PolarHBondContact O-N 2.94Å; L113-Q115 VanDerWaalsContact O-N 3.16Å; L113-L116 HydrophobicContact CD2-CD1 4.09Å; L113-L116 WeakPolarHBondContact O-CB 3.42Å; L113-L116 PolarHBondContact O-N 3.25Å; L113-L116 VanDerWaalsContact O-N 3.12Å; L113-L211 HydrophobicContact CD2-CD1 3.7Å; L113-A214 HydrophobicContact CD1-CB 3.85Å; L113-M218 HydrophobicContact CB-CE 3.93Å; L113-M218 HydrophobicContact CB-SD 3.76Å; L113-M218 HydrophobicContact CD1-CE 4.32Å
114	G	94.3	Very high	95.3	Very high	70 Å²	70	47 Å²	47	72%	0.722	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-67.7	-8	173.7	0	0	0	0	0	115.6	G112	G112-G114 PolarHBondContact O-N 2.97Å
115	Q	93.9	Very high	95.3	Very high	117 Å²	117	42.7 Å²	42.7	55%	0.547	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-92.4	-14.8	173.4	-59.1	180	-50.9	0	0	112.5	V111 G112 L113 I117 W144	V111-Q115 HydrophobicContact CG1-CB 4.35Å; G112-Q115 WeakPolarHBondContact O-CB 3.43Å; G112-Q115 PolarHBondContact O-N 2.86Å; L113-Q115 PolarHBondContact O-N 2.94Å; L113-Q115 VanDerWaalsContact O-N 3.16Å; Q115-I117 PolarHBondContact O-N 3.4Å; Q115-W144 HydrophobicContact CB-CB 4.36Å; Q115-W144 VanDerWaalsContact O-CA 3.26Å; Q115-W144 WeakPolarHBondContact O-CA 3.42Å; Q115-W144 VanDerWaalsContact O-CB 3.29Å; Q115-W144 WeakPolarHBondContact O-CB 3.41Å
116	L	95.7	Very high	95	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	23%	0.232	C	C	.	.			trans	-63.2	133.1	175.9	-76.5	168	0	0	0	109.4	F93 L113 L142 W144 L211 I220	F93-L116 HydrophobicContact CD1-CD1 4.25Å; F93-L116 HydrophobicContact CE1-CD1 3.91Å; F93-L116 HydrophobicContact CE1-CD2 3.78Å; F93-L116 HydrophobicContact CE1-CG 3.93Å; F93-L116 HydrophobicContact CZ-CD2 4.22Å; L113-L116 HydrophobicContact CD2-CD1 4.09Å; L113-L116 WeakPolarHBondContact O-CB 3.42Å; L113-L116 PolarHBondContact O-N 3.25Å; L113-L116 VanDerWaalsContact O-N 3.12Å; L116-L142 HydrophobicContact CD2-CB 4.09Å; L116-W144 HydrophobicContact CD2-CB 4.44Å; L116-W144 HydrophobicContact CD2-CE3 4.23Å; L116-L211 HydrophobicContact CD1-CD1 4.11Å; L116-I220 HydrophobicContact CB-CD1 3.8Å; L116-I220 HydrophobicContact CB-CG1 4.08Å; L116-I220 HydrophobicContact CB-CG2 4.16Å; L116-I220 HydrophobicContact CD1-CD1 4.39Å
117	I	95.1	Very high	94.6	Very high	94 Å²	94	38.2 Å²	38.2	48%	0.482	22%	0.219	S	C	.	.			trans	-100.4	-48	177.6	-61	172.8	0	0	0	108.7	Q115 K143 Q221	Q115-I117 PolarHBondContact O-N 3.4Å; I117-K143 PolarHBondContact N-O 3.4Å; I117-Q221 PolarHBondContact O-N 2.9Å
118	S	95.9	Very high	94.2	Very high	12 Å²	12	40 Å²	40	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.9	-177.3	67	0	0	0	0	112.2	K143 Q221	S118-K143 PolarHBondContact N-O 3.46Å; S118-K143 PolarHBondContact O-N 3.17Å; S118-Q221 CarbonylContact C-O 3.43Å; S118-Q221 WeakPolarHBondContact CA-O 3.47Å
119	V	97.4	Very high	93.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.5	169	179.5	0	0	0	0	108.2	T121 V140 Q141 L142 L208 L211 I220 Q221 F222 T223	V119-T121 HydrophobicContact CG1-CG2 4.38Å; V119-V140 HydrophobicContact CG1-CG1 3.77Å; V119-Q141 CarbonylContact C-O 3.53Å; V119-Q141 WeakPolarHBondContact CA-O 3.26Å; V119-L142 HydrophobicContact CB-CD2 4.37Å; V119-L142 HydrophobicContact CG1-CD2 3.91Å; V119-L142 HydrophobicContact CG2-CD2 3.71Å; V119-L208 HydrophobicContact CG1-CD1 3.89Å; V119-L211 HydrophobicContact CG2-CD2 4.09Å; V119-I220 HydrophobicContact CG2-CG2 4.14Å; V119-Q221 PolarHBondContact N-O 2.88Å; V119-F222 HydrophobicContact CB-CD1 3.58Å; V119-F222 HydrophobicContact CB-CE1 3.59Å; V119-F222 HydrophobicContact CB-CG 4.31Å; V119-F222 HydrophobicContact CB-CZ 4.32Å; V119-F222 HydrophobicContact CG1-CD1 3.88Å; V119-F222 HydrophobicContact CG1-CE1 3.83Å; V119-F222 HydrophobicContact CG2-CD1 4.17Å; V119-F222 HydrophobicContact CG2-CE1 3.68Å; V119-F222 HydrophobicContact CG2-CZ 3.99Å; V119-F222 WeakPolarHBondContact O-CA 3.31Å; V119-T223 PolarHBondContact O-N 3.25Å
120	I	97.1	Very high	93.2	Very high	28 Å²	28	44.1 Å²	44.1	14%	0.144	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.8	177.5	-53.7	171.3	0	0	0	107.8	V140 Q141 T223 I227	I120-V140 CarbonylContact O-C 3.58Å; I120-V140 WeakPolarHBondContact O-CA 3.49Å; I120-Q141 HydrophobicContact CB-CB 4.35Å; I120-Q141 PolarHBondContact N-O 3.39Å; I120-Q141 PolarHBondContact O-N 3.13Å; I120-T223 WeakPolarHBondContact CA-O 3.37Å; I120-I227 HydrophobicContact CB-CG1 4.44Å; I120-I227 HydrophobicContact CG2-CG1 3.93Å
121	T	97.7	Very high	92.7	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.1	175.8	64.4	0	0	0	0	108.9	V119 G139 V140 L208 T223 N224 G225	V119-T121 HydrophobicContact CG1-CG2 4.38Å; T121-G139 WeakPolarHBondContact CA-O 3.44Å; T121-V140 HydrophobicContact CG2-CG2 4.3Å; T121-L208 HydrophobicContact CG2-CD1 3.75Å; T121-L208 HydrophobicContact CG2-CD2 3.56Å; T121-L208 HydrophobicContact CG2-CG 4.31Å; T121-T223 PolarHBondContact N-O 3.32Å; T121-T223 PolarHBondContact OG1-O 3.41Å; T121-N224 CarbonylContact O-C 3.2Å; T121-N224 WeakPolarHBondContact O-CA 3.23Å; T121-N224 PolarHBondContact O-OD1 3Å; T121-G225 PolarHBondContact O-N 2.91Å
122	G	95.8	Very high	92.2	Very high	13 Å²	13	47.4 Å²	47.4	13%	0.134	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-168.8	175.2	0	0	0	0	0	112.8	G139 G225	G122-G139 PolarHBondContact N-O 3.31Å; G122-G139 VanDerWaalsContact N-O 3.12Å; G122-G139 PolarHBondContact O-N 2.83Å; G122-G225 WeakPolarHBondContact CA-O 3.47Å
123	P	94.6	Very high	91.5	Very high	49 Å²	49	50.5 Å²	50.5	32%	0.318	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.7	-180	29.9	-34	0	0	0	110.6	V125 E226 I227	P123-V125 HydrophobicContact CB-CG1 4.31Å; P123-V125 HydrophobicContact CG-CG1 4.38Å; P123-E226 HydrophobicContact CG-CG 4.22Å; P123-I227 PolarHBondContact O-N 3.47Å
124	L	93.3	Very high	90.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119	169.3	-65.6	162.1	0	0	0	108.5	I75 R135 S137 T167 I227 I229	I75-L124 HydrophobicContact CD1-CD1 3.26Å; I75-L124 HydrophobicContact CD1-CD2 4.01Å; I75-L124 HydrophobicContact CD1-CG 4.26Å; L124-R135 HydrophobicContact CB-CG 4.12Å; L124-R135 CarbonylContact O-C 3.53Å; L124-R135 WeakPolarHBondContact O-CB 3.26Å; L124-R135 WeakPolarHBondContact O-CG 3.35Å; L124-S137 WeakPolarHBondContact CB-O 3.48Å; L124-S137 WeakPolarHBondContact CD1-O 3.21Å; L124-S137 VanDerWaalsContact CD1-OG 3.23Å; L124-S137 WeakPolarHBondContact CD1-OG 3.46Å; L124-S137 WeakPolarHBondContact CG-O 3.48Å; L124-S137 PolarHBondContact N-O 3.38Å; L124-T167 HydrophobicContact CD2-CG2 3.39Å; L124-I227 WeakPolarHBondContact CA-O 3.04Å; L124-I227 HydrophobicContact CD2-CB 3.89Å; L124-I227 HydrophobicContact CD2-CD1 4.39Å; L124-I227 HydrophobicContact CD2-CG2 3.7Å; L124-I229 HydrophobicContact CB-CD1 4.08Å; L124-I229 HydrophobicContact CD2-CD1 4.08Å; L124-I229 HydrophobicContact CD2-CG1 4.32Å
125	V	93.1	Very high	90.1	Very high	21 Å²	21	56.9 Å²	56.9	13%	0.127	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160	-176.4	-56.3	0	0	0	0	111.4	P123 E226 I227 V228 I229	P123-V125 HydrophobicContact CB-CG1 4.31Å; P123-V125 HydrophobicContact CG-CG1 4.38Å; V125-E226 HydrophobicContact CG1-CB 4.31Å; V125-E226 HydrophobicContact CG1-CG 4.18Å; V125-E226 HydrophobicContact CG2-CB 3.78Å; V125-E226 HydrophobicContact CG2-CG 4.35Å; V125-I227 PolarHBondContact N-O 3.44Å; V125-V228 HydrophobicContact CG2-CB 4.47Å; V125-V228 HydrophobicContact CG2-CG2 3.92Å; V125-V228 WeakPolarHBondContact O-CA 3.31Å; V125-I229 PolarHBondContact O-N 3.23Å
126	F	89.9	Confident	89.5	Confident	32 Å²	32	55.7 Å²	55.7	14%	0.14	32%	0.319	C	S	.	.			trans	-102.4	155	169.4	-63.8	-62	0	0	0	110.7	N79 M132 P133 R135 I229	N79-F126 HydrophobicContact CB-CE1 4.23Å; N79-F126 WeakPolarHBondContact OD1-CE1 3.37Å; N79-F126 WeakPolarHBondContact OD1-CZ 3.41Å; F126-M132 HydrophobicContact CB-CB 4.37Å; F126-M132 HydrophobicContact CD1-CB 4.08Å; F126-M132 HydrophobicContact CD1-CG 4.14Å; F126-M132 HydrophobicContact CD2-CB 3.36Å; F126-M132 HydrophobicContact CD2-CG 4.29Å; F126-M132 HydrophobicContact CE1-CB 4.22Å; F126-M132 HydrophobicContact CE1-CE 4.2Å; F126-M132 HydrophobicContact CE1-CG 4.17Å; F126-M132 HydrophobicContact CE2-CB 3.49Å; F126-M132 VanDerWaalsContact CE2-CB 3.49Å; F126-M132 HydrophobicContact CE2-CE 4.27Å; F126-M132 HydrophobicContact CE2-CG 4.29Å; F126-M132 HydrophobicContact CG-CB 3.67Å; F126-M132 HydrophobicContact CG-CG 4.21Å; F126-M132 HydrophobicContact CZ-CB 3.94Å; F126-M132 HydrophobicContact CZ-CE 3.77Å; F126-M132 HydrophobicContact CZ-CG 4.24Å; F126-P133 WeakPolarHBondContact CD2-O 3.37Å; F126-P133 WeakPolarHBondContact CE2-O 3.46Å; F126-R135 HydrophobicContact CD2-CB 4.01Å; F126-R135 HydrophobicContact CE2-CB 3.58Å; F126-R135 HydrophobicContact CE2-CG 4.48Å; F126-R135 HydrophobicContact CZ-CB 4.25Å; F126-I229 HydrophobicContact CD1-CB 4.12Å; F126-I229 HydrophobicContact CE1-CB 3.98Å; F126-I229 HydrophobicContact CE1-CD1 4.32Å; F126-I229 HydrophobicContact CE1-CG2 4.11Å
127	P	87.3	Confident	89.1	Confident	21 Å²	21	57 Å²	57	14%	0.136	33%	0.329	C	S	.	.			trans	-54.1	147.5	174.3	-26.1	33.1	0	0	0	112.1	K129 S130 V228 I229 Y232	P127-K129 PolarHBondContact O-N 2.92Å; P127-S130 WeakPolarHBondContact O-CB 3.21Å; P127-S130 PolarHBondContact O-N 3.16Å; P127-V228 HydrophobicContact CG-CG1 3.9Å; P127-I229 VanDerWaalsContact CD-O 3.23Å; P127-I229 WeakPolarHBondContact CD-O 3.14Å; P127-Y232 HydrophobicContact CB-CD1 4.22Å; P127-Y232 HydrophobicContact CB-CE1 3.53Å; P127-Y232 HydrophobicContact CG-CD1 4.4Å; P127-Y232 HydrophobicContact CG-CE1 3.8Å; P127-Y232 HydrophobicContact CG-CE2 4.09Å
128	A	84	Confident	89.1	Confident	113 Å²	113	55.5 Å²	55.5	93%	0.934	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.5	-174	0	0	0	0	0	115.3
129	K	84	Confident	89.1	Confident	189 Å²	189	55 Å²	55	82%	0.822	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	15.8	177.4	-62.7	-175.3	-179.8	178.6	0	113.5	P127	P127-K129 PolarHBondContact O-N 2.92Å
130	S	84.8	Confident	89.1	Confident	24 Å²	24	55.1 Å²	55.1	17%	0.168	32%	0.322	C	S	.	.			trans	-78	142.1	178.7	-173.9	0	0	0	0	111.5	P127 M132 S231 Y232	P127-S130 WeakPolarHBondContact O-CB 3.21Å; P127-S130 PolarHBondContact O-N 3.16Å; S130-M132 VanDerWaalsContact C-N 3.25Å; S130-M132 VanDerWaalsContact OG-CB 3.28Å; S130-M132 WeakPolarHBondContact OG-CB 3.43Å; S130-M132 WeakPolarHBondContact OG-CG 3.39Å; S130-M132 PolarHBondContact OG-N 2.81Å; S130-M132 VanDerWaalsContact OG-N 3.11Å; S130-S231 WeakPolarHBondContact CB-O 3.4Å; S130-S231 PolarHBondContact OG-O 3.46Å; S130-Y232 WeakPolarHBondContact OG-CA 3.37Å
131	L	84.8	Confident	89.1	Confident	155 Å²	155	54.4 Å²	54.4	81%	0.812	32%	0.318	S	S	*	.			trans	-87.1	4	169.8	-58.9	177.6	0	0	0	112.4	Y232	L131-Y232 PolarHBondContact N-O 2.88Å
132	M	84.7	Confident	89	Confident	20 Å²	20	53.5 Å²	53.5	10%	0.099	31%	0.313	C	S	.	.	S	Bend	trans	-70.8	149.8	179.2	-66.1	-65.4	-66.5	0	0	111.1	N79 F126 S130 S231 N234 S237 V238	N79-M132 VanDerWaalsContact ND2-CE 3.33Å; N79-M132 WeakPolarHBondContact ND2-CE 3.5Å; F126-M132 HydrophobicContact CB-CB 4.37Å; F126-M132 HydrophobicContact CD1-CB 4.08Å; F126-M132 HydrophobicContact CD1-CG 4.14Å; F126-M132 HydrophobicContact CD2-CB 3.36Å; F126-M132 HydrophobicContact CD2-CG 4.29Å; F126-M132 HydrophobicContact CE1-CB 4.22Å; F126-M132 HydrophobicContact CE1-CE 4.2Å; F126-M132 HydrophobicContact CE1-CG 4.17Å; F126-M132 HydrophobicContact CE2-CB 3.49Å; F126-M132 VanDerWaalsContact CE2-CB 3.49Å; F126-M132 HydrophobicContact CE2-CE 4.27Å; F126-M132 HydrophobicContact CE2-CG 4.29Å; F126-M132 HydrophobicContact CG-CB 3.67Å; F126-M132 HydrophobicContact CG-CG 4.21Å; F126-M132 HydrophobicContact CZ-CB 3.94Å; F126-M132 HydrophobicContact CZ-CE 3.77Å; F126-M132 HydrophobicContact CZ-CG 4.24Å; S130-M132 VanDerWaalsContact C-N 3.25Å; S130-M132 VanDerWaalsContact OG-CB 3.28Å; S130-M132 WeakPolarHBondContact OG-CB 3.43Å; S130-M132 WeakPolarHBondContact OG-CG 3.39Å; S130-M132 PolarHBondContact OG-N 2.81Å; S130-M132 VanDerWaalsContact OG-N 3.11Å; M132-S231 WeakPolarHBondContact CG-O 3.26Å; M132-N234 HydrophobicContact SD-CB 4.44Å; M132-N234 PolarHBondContact SD-N 3.4Å; M132-N234 VanDerWaalsContact SD-N 3.37Å; M132-S237 WeakPolarHBondContact CE-OG 3.2Å; M132-V238 HydrophobicContact CE-CG2 3.58Å; M132-V238 HydrophobicContact SD-CG2 4.09Å
133	P	81	Confident	89	Confident	77 Å²	77	54.9 Å²	54.9	50%	0.5	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-55.7	150.6	171.3	-23	33	0	0	0	111.7	F126 R135 V238	F126-P133 WeakPolarHBondContact CD2-O 3.37Å; F126-P133 WeakPolarHBondContact CE2-O 3.46Å; P133-R135 PolarHBondContact O-N 2.88Å; P133-V238 HydrophobicContact CG-CG2 4.36Å
134	I	80	Confident	89	Confident	170 Å²	170	54.5 Å²	54.5	87%	0.872	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-57.2	127.8	175.7	-62.5	172.4	0	0	0	109
135	R	82.1	Confident	88.7	Confident	35 Å²	35	55.6 Å²	55.6	13%	0.132	32%	0.319	C	S	.	.			trans	-117.5	135.4	173.2	-168.4	175.9	-175.8	144.7	15.4	107.8	N79 E81 L124 F126 P133 S137	N79-R135 PolarHBondContact OD1-NH1 2.84Å; E81-R135 IonicContact OE1-CZ 3.15Å; E81-R135 IonicContact OE1-NH1 2.74Å; E81-R135 PolarHBondContact OE1-NH1 2.79Å; E81-R135 IonicContact OE1-NH2 2.97Å; E81-R135 PolarHBondContact OE1-NH2 3.15Å; L124-R135 HydrophobicContact CB-CG 4.12Å; L124-R135 CarbonylContact O-C 3.53Å; L124-R135 WeakPolarHBondContact O-CB 3.26Å; L124-R135 WeakPolarHBondContact O-CG 3.35Å; F126-R135 HydrophobicContact CD2-CB 4.01Å; F126-R135 HydrophobicContact CE2-CB 3.58Å; F126-R135 HydrophobicContact CE2-CG 4.48Å; F126-R135 HydrophobicContact CZ-CB 4.25Å; P133-R135 PolarHBondContact O-N 2.88Å; R135-S137 PolarHBondContact NE-OG 3.05Å; R135-S137 VanDerWaalsContact NE-OG 3.07Å
136	S	82	Confident	88	Confident	92 Å²	92	58.2 Å²	58.2	64%	0.643	33%	0.332	S	S	*	.			trans	-144.6	15.8	175.9	59.6	0	0	0	0	112
137	S	87.4	Confident	87.3	Confident	35 Å²	35	59.7 Å²	59.7	25%	0.245	34%	0.339	C	S	.	.			trans	-61.3	137.7	175.9	52.7	0	0	0	0	109.7	L124 R135	L124-S137 WeakPolarHBondContact CB-O 3.48Å; L124-S137 WeakPolarHBondContact CD1-O 3.21Å; L124-S137 VanDerWaalsContact CD1-OG 3.23Å; L124-S137 WeakPolarHBondContact CD1-OG 3.46Å; L124-S137 WeakPolarHBondContact CG-O 3.48Å; L124-S137 PolarHBondContact N-O 3.38Å; R135-S137 PolarHBondContact NE-OG 3.05Å; R135-S137 VanDerWaalsContact NE-OG 3.07Å
138	P	93.3	Very high	86.7	Confident	61 Å²	61	65.3 Å²	65.3	40%	0.396	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	147.1	175.8	28.1	-34.8	0	0	0	110.6	T169 H170	P138-T169 WeakPolarHBondContact O-CB 3.25Å; P138-T169 PolarHBondContact O-OG1 2.78Å; P138-H170 WeakPolarHBondContact CG-NE2 3.43Å
139	G	96	Very high	86.5	Confident	3 Å²	3	66 Å²	66	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	166.2	177.3	0	0	0	0	0	112.8	T121 G122 L168 I227	T121-G139 WeakPolarHBondContact CA-O 3.44Å; G122-G139 PolarHBondContact N-O 3.31Å; G122-G139 VanDerWaalsContact N-O 3.12Å; G122-G139 PolarHBondContact O-N 2.83Å; G139-L168 CarbonylContact C-O 3.58Å; G139-L168 WeakPolarHBondContact CA-O 3.4Å; G139-I227 VanDerWaalsContact C-CD1 3.42Å; G139-I227 VanDerWaalsContact O-CD1 3.26Å; G139-I227 WeakPolarHBondContact O-CD1 3.4Å
140	V	97.8	Very high	86.1	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.3	174.2	178.8	0	0	0	0	107.7	V119 I120 T121 L142 T167 L168 V204 L208	V119-V140 HydrophobicContact CG1-CG1 3.77Å; I120-V140 CarbonylContact O-C 3.58Å; I120-V140 WeakPolarHBondContact O-CA 3.49Å; T121-V140 HydrophobicContact CG2-CG2 4.3Å; V140-L142 HydrophobicContact CG1-CD2 3.97Å; V140-L142 HydrophobicContact CG1-CG 4.43Å; V140-T167 CarbonylContact O-C 3.53Å; V140-T167 WeakPolarHBondContact O-CA 3.25Å; V140-L168 PolarHBondContact N-O 2.8Å; V140-L168 PolarHBondContact O-N 3.26Å; V140-V204 HydrophobicContact CB-CG2 3.98Å; V140-V204 HydrophobicContact CG2-CG1 4.46Å; V140-V204 HydrophobicContact CG2-CG2 3.65Å; V140-L208 HydrophobicContact CG1-CD1 4.18Å; V140-L208 HydrophobicContact CG2-CB 4.33Å; V140-L208 HydrophobicContact CG2-CD1 4.43Å; V140-L208 HydrophobicContact CG2-CD2 4.43Å
141	Q	96.8	Very high	85.8	Confident	13 Å²	13	63.6 Å²	63.6	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.3	173.4	-174.9	175.9	73.4	0	0	109.9	V119 I120 K143 A166 T167 I227	V119-Q141 CarbonylContact C-O 3.53Å; V119-Q141 WeakPolarHBondContact CA-O 3.26Å; I120-Q141 HydrophobicContact CB-CB 4.35Å; I120-Q141 PolarHBondContact N-O 3.39Å; I120-Q141 PolarHBondContact O-N 3.13Å; Q141-K143 HydrophobicContact CG-CG 4.32Å; Q141-A166 CarbonylContact C-O 3.45Å; Q141-A166 WeakPolarHBondContact CA-O 3.22Å; Q141-T167 PolarHBondContact NE2-OG1 3.23Å; Q141-I227 HydrophobicContact CB-CD1 4.09Å; Q141-I227 HydrophobicContact CB-CG1 4.19Å; Q141-I227 HydrophobicContact CB-CG2 3.97Å
142	L	96.8	Very high	85.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126	175.9	-54.7	174.1	0	0	0	108.2	F93 L116 V119 V140 W144 Y165 A166 L168 F207 L211	F93-L142 HydrophobicContact CD2-CD1 4.3Å; F93-L142 HydrophobicContact CE2-CD1 3.71Å; F93-L142 HydrophobicContact CZ-CB 4.47Å; F93-L142 HydrophobicContact CZ-CD1 3.85Å; L116-L142 HydrophobicContact CD2-CB 4.09Å; V119-L142 HydrophobicContact CB-CD2 4.37Å; V119-L142 HydrophobicContact CG1-CD2 3.91Å; V119-L142 HydrophobicContact CG2-CD2 3.71Å; V140-L142 HydrophobicContact CG1-CD2 3.97Å; V140-L142 HydrophobicContact CG1-CG 4.43Å; L142-W144 HydrophobicContact CB-CE3 4.29Å; L142-W144 HydrophobicContact CB-CZ3 3.99Å; L142-Y165 CarbonylContact O-C 3.56Å; L142-Y165 WeakPolarHBondContact O-CA 3.21Å; L142-Y165 WeakPolarHBondContact O-CB 3.31Å; L142-A166 PolarHBondContact N-O 3.38Å; L142-A166 PolarHBondContact O-N 2.87Å; L142-L168 HydrophobicContact CD1-CD1 4.07Å; L142-F207 HydrophobicContact CD1-CE1 4.04Å; L142-F207 HydrophobicContact CD1-CZ 3.95Å; L142-F207 HydrophobicContact CD2-CE1 4.4Å; L142-L211 HydrophobicContact CD2-CD2 3.41Å; L142-L211 VanDerWaalsContact CD2-CD2 3.41Å
143	K	95.4	Very high	84.7	Confident	41 Å²	41	66.2 Å²	66.2	18%	0.178	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.9	175.2	-53	-166.4	-177.3	-166.8	0	110.8	I117 S118 Q141 E147	I117-K143 PolarHBondContact N-O 3.4Å; S118-K143 PolarHBondContact N-O 3.46Å; S118-K143 PolarHBondContact O-N 3.17Å; Q141-K143 HydrophobicContact CG-CG 4.32Å; K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 IonicContact NZ-OE1 3.71Å; K143-E147 PolarHBondContact NZ-OE1 3.37Å; K143-E147 IonicContact NZ-OE2 3.64Å
144	W	94.2	Very high	84.5	Confident	41 Å²	41	65 Å²	65	16%	0.155	35%	0.35	C	S	.	.			trans	-136.6	15.5	178.9	58.5	81.8	0	0	0	113.2	F93 I95 R109 V111 Q115 L116 L142 L163 P164 A166	F93-W144 HydrophobicContact CE2-CZ3 4.31Å; F93-W144 AromaticContact CZ-CE3 3.82Å; F93-W144 HydrophobicContact CZ-CE3 3.82Å; F93-W144 AromaticContact CZ-CZ3 3.72Å; F93-W144 HydrophobicContact CZ-CZ3 3.72Å; I95-W144 HydrophobicContact CD1-CH2 4.25Å; R109-W144 VanDerWaalsContact NH1-CZ2 3.29Å; V111-W144 HydrophobicContact CG1-CB 3.87Å; V111-W144 HydrophobicContact CG1-CD2 3.88Å; V111-W144 HydrophobicContact CG1-CE3 4.15Å; V111-W144 HydrophobicContact CG1-CG 3.75Å; V111-W144 HydrophobicContact CG2-CD2 3.94Å; V111-W144 HydrophobicContact CG2-CE3 4.24Å; V111-W144 HydrophobicContact CG2-CG 4.41Å; V111-W144 HydrophobicContact CG2-CH2 4.36Å; V111-W144 HydrophobicContact CG2-CZ2 4.09Å; V111-W144 HydrophobicContact CG2-CZ3 4.43Å; Q115-W144 HydrophobicContact CB-CB 4.36Å; Q115-W144 VanDerWaalsContact O-CA 3.26Å; Q115-W144 WeakPolarHBondContact O-CA 3.42Å; Q115-W144 VanDerWaalsContact O-CB 3.29Å; Q115-W144 WeakPolarHBondContact O-CB 3.41Å; L116-W144 HydrophobicContact CD2-CB 4.44Å; L116-W144 HydrophobicContact CD2-CE3 4.23Å; L142-W144 HydrophobicContact CB-CE3 4.29Å; L142-W144 HydrophobicContact CB-CZ3 3.99Å; W144-L163 WeakPolarHBondContact CZ2-O 3.48Å; W144-P164 PolarHBondContact N-O 3.32Å; W144-A166 HydrophobicContact CH2-CB 3.69Å; W144-A166 HydrophobicContact CZ3-CB 3.92Å
145	G	87.4	Confident	84.2	Confident	23 Å²	23	60.2 Å²	60.2	24%	0.237	32%	0.323	C	S	.	.	S	Bend	trans	-165.8	178.3	172.8	0	0	0	0	0	110.7	P164	G145-P164 PolarHBondContact N-O 3.34Å
146	D	78.8	Confident	83.7	Confident	76 Å²	76	67.7 Å²	67.7	41%	0.406	35%	0.351	S	S	.	.			trans	-83.5	128.5	-177.3	-164	-18.5	0	0	0	111.4	N148 D149 P164	D146-N148 PolarHBondContact O-N 3.23Å; D146-N148 WeakPolarHBondContact OD1-CB 3.21Å; D146-N148 PolarHBondContact OD1-N 3.41Å; D146-N148 PolarHBondContact OD1-ND2 3.45Å; D146-N148 PolarHBondContact OD2-ND2 2.93Å; D146-D149 WeakPolarHBondContact O-CB 3.37Å; D146-D149 PolarHBondContact O-N 3.33Å; D146-P164 WeakPolarHBondContact O-CG 3.47Å
147	E	74.4	Confident	83.3	Confident	63 Å²	63	66.8 Å²	66.8	29%	0.294	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-65.6	-24.7	173.3	-73.8	176.8	-163.3	0	0	112.4	K143 D149 V150 Y165	K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 IonicContact NZ-OE1 3.71Å; K143-E147 PolarHBondContact NZ-OE1 3.37Å; K143-E147 IonicContact NZ-OE2 3.64Å; E147-D149 PolarHBondContact O-N 2.97Å; E147-V150 VanDerWaalsContact O-CB 3.3Å; E147-V150 WeakPolarHBondContact O-CB 3.5Å; E147-V150 WeakPolarHBondContact O-CG2 3.44Å; E147-V150 PolarHBondContact O-N 2.82Å; E147-V150 VanDerWaalsContact O-N 3.15Å; E147-Y165 HydrophobicContact CG-CD1 3.86Å; E147-Y165 HydrophobicContact CG-CE1 4.01Å
148	N	75.1	Confident	82.3	Confident	139 Å²	139	67.4 Å²	67.4	74%	0.743	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.3	175.7	-60.6	-51.3	0	0	0	112.4	D146 V150	D146-N148 PolarHBondContact O-N 3.23Å; D146-N148 WeakPolarHBondContact OD1-CB 3.21Å; D146-N148 PolarHBondContact OD1-N 3.41Å; D146-N148 PolarHBondContact OD1-ND2 3.45Å; D146-N148 PolarHBondContact OD2-ND2 2.93Å; N148-V150 PolarHBondContact O-N 3.26Å
149	D	78.9	Confident	81.1	Confident	128 Å²	128	70.9 Å²	70.9	68%	0.684	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-78.6	-8.1	175.9	-68.5	-23.8	0	0	0	112.5	D146 E147 K151	D146-D149 WeakPolarHBondContact O-CB 3.37Å; D146-D149 PolarHBondContact O-N 3.33Å; E147-D149 PolarHBondContact O-N 2.97Å; D149-K151 PolarHBondContact O-N 3.46Å
150	V	77.4	Confident	80	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	36%	0.359	C	S	.	.	S	Bend	trans	-75.9	115.6	178.9	-177.6	0	0	0	0	109.9	E147 N148 Q154 K155 L163 P164	E147-V150 VanDerWaalsContact O-CB 3.3Å; E147-V150 WeakPolarHBondContact O-CB 3.5Å; E147-V150 WeakPolarHBondContact O-CG2 3.44Å; E147-V150 PolarHBondContact O-N 2.82Å; E147-V150 VanDerWaalsContact O-N 3.15Å; N148-V150 PolarHBondContact O-N 3.26Å; V150-Q154 HydrophobicContact CG1-CB 3.9Å; V150-K155 HydrophobicContact CG1-CG 3.81Å; V150-L163 HydrophobicContact CB-CD2 4.43Å; V150-L163 HydrophobicContact CG1-CD2 3.45Å; V150-L163 VanDerWaalsContact CG1-CD2 3.45Å; V150-L163 HydrophobicContact CG2-CD2 4.04Å; V150-P164 HydrophobicContact CG2-CG 3.72Å
151	K	77.9	Confident	78.8	Confident	146 Å²	146	74.3 Å²	74.3	64%	0.635	37%	0.37	S	S	*	.			trans	-63.1	143.8	175.3	-62.6	-178.4	-178.9	179.8	0	110.2	D149 T153 Q154 K155	D149-K151 PolarHBondContact O-N 3.46Å; K151-T153 PolarHBondContact O-N 2.97Å; K151-T153 VanDerWaalsContact O-N 3.15Å; K151-Q154 HydrophobicContact CB-CG 4.27Å; K151-Q154 WeakPolarHBondContact O-CA 3.28Å; K151-Q154 VanDerWaalsContact O-CB 3.28Å; K151-Q154 WeakPolarHBondContact O-CB 3.45Å; K151-Q154 PolarHBondContact O-N 2.68Å; K151-K155 PolarHBondContact O-N 3.44Å
152	I	73.9	Confident	77.9	Confident	125 Å²	125	76.9 Å²	76.9	64%	0.641	39%	0.39	S	S	*	.	H	α-helix	trans	-52.8	-40.4	173.6	-65	170.2	0	0	0	110.6	Q154 K155 W156	I152-Q154 PolarHBondContact O-N 3.33Å; I152-K155 WeakPolarHBondContact O-CB 3.39Å; I152-K155 PolarHBondContact O-N 2.94Å; I152-W156 VanDerWaalsContact CG2-CD1 3.45Å; I152-W156 VanDerWaalsContact O-CD1 3.25Å; I152-W156 PolarHBondContact O-N 2.86Å
153	T	73.1	Confident	77.4	Confident	105 Å²	105	77.4 Å²	77.4	64%	0.644	39%	0.392	S	S	*	.	H	α-helix	trans	-60.2	-29.8	176.7	53.9	0	0	0	0	113.8	K151 N157	K151-T153 PolarHBondContact O-N 2.97Å; K151-T153 VanDerWaalsContact O-N 3.15Å; T153-N157 WeakPolarHBondContact O-CB 3.4Å; T153-N157 PolarHBondContact O-N 3.37Å
154	Q	76.2	Confident	77.3	Confident	51 Å²	51	76.4 Å²	76.4	24%	0.238	39%	0.39	C	S	.	.	H	α-helix	trans	-72.6	-40	173.4	-70.5	171.6	-60.7	0	0	111.1	H77 V150 K151 I152 W156 N157 C160 S162	H77-Q154 PolarHBondContact NE2-O 2.73Å; V150-Q154 HydrophobicContact CG1-CB 3.9Å; K151-Q154 HydrophobicContact CB-CG 4.27Å; K151-Q154 WeakPolarHBondContact O-CA 3.28Å; K151-Q154 VanDerWaalsContact O-CB 3.28Å; K151-Q154 WeakPolarHBondContact O-CB 3.45Å; K151-Q154 PolarHBondContact O-N 2.68Å; I152-Q154 PolarHBondContact O-N 3.33Å; Q154-W156 VanDerWaalsContact C-N 3.31Å; Q154-W156 PolarHBondContact O-N 2.9Å; Q154-N157 PolarHBondContact O-N 3.49Å; Q154-C160 WeakPolarHBondContact O-CB 3.5Å; Q154-S162 PolarHBondContact NE2-OG 2.91Å
155	K	74.4	Confident	77.2	Confident	71 Å²	71	76 Å²	76	31%	0.309	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-33.4	176	-65.1	-164.2	171.6	-157	0	113	H77 W78 V150 K151 I152 E230	H77-K155 PolarHBondContact CD2-O 2.91Å; H77-K155 PolarHBondContact NE2-O 3.21Å; W78-K155 PolarHBondContact NE1-O 3.16Å; V150-K155 HydrophobicContact CG1-CG 3.81Å; K151-K155 PolarHBondContact O-N 3.44Å; I152-K155 WeakPolarHBondContact O-CB 3.39Å; I152-K155 PolarHBondContact O-N 2.94Å; K155-E230 IonicContact NZ-OE1 2.84Å; K155-E230 IonicContact NZ-OE2 3.82Å; K155-E230 PolarHBondContact NZ-OE2 3.23Å
156	W	69.8	Low	77.6	Confident	192 Å²	192	75.1 Å²	75.1	73%	0.727	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-5	179.4	-77.1	90.8	0	0	0	114.1	W78 I152 Q154 P158	W78-W156 WeakPolarHBondContact CZ2-O 3.46Å; I152-W156 VanDerWaalsContact CG2-CD1 3.45Å; I152-W156 VanDerWaalsContact O-CD1 3.25Å; I152-W156 PolarHBondContact O-N 2.86Å; Q154-W156 VanDerWaalsContact C-N 3.31Å; Q154-W156 PolarHBondContact O-N 2.9Å; W156-P158 WeakPolarHBondContact O-CD 3.48Å
157	N	74.6	Confident	78.4	Confident	72 Å²	72	71.8 Å²	71.8	39%	0.385	36%	0.362	S	S	.	.			trans	-98	108	178.3	175.6	9	0	0	0	110.2	H77 T153 Q154 L159 C160	H77-N157 PolarHBondContact CE1-O 3.18Å; H77-N157 PolarHBondContact NE2-O 3Å; T153-N157 WeakPolarHBondContact O-CB 3.4Å; T153-N157 PolarHBondContact O-N 3.37Å; Q154-N157 PolarHBondContact O-N 3.49Å; N157-L159 PolarHBondContact O-N 3.28Å; N157-L159 WeakPolarHBondContact OD1-CB 3.46Å; N157-L159 PolarHBondContact OD1-N 2.7Å; N157-C160 HydrophobicContact CB-CB 4.02Å; N157-C160 WeakPolarHBondContact O-CB 3.41Å; N157-C160 PolarHBondContact O-N 2.92Å
158	P	65.6	Low	79.5	Confident	49 Å²	49	68.8 Å²	68.8	32%	0.318	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.4	-179.1	25.5	-34.2	0	0	0	113.4	W78 W156	W78-P158 HydrophobicContact CD2-CB 3.73Å; W78-P158 HydrophobicContact CE3-CB 3.98Å; W78-P158 HydrophobicContact CG-CB 4.1Å; W78-P158 HydrophobicContact CH2-CB 4.47Å; W78-P158 HydrophobicContact CH2-CG 4.4Å; W78-P158 HydrophobicContact CZ2-CB 4.25Å; W78-P158 HydrophobicContact CZ2-CG 4.34Å; W78-P158 HydrophobicContact CZ3-CB 4.34Å; W156-P158 WeakPolarHBondContact O-CD 3.48Å
159	L	69.9	Low	80.6	Confident	134 Å²	134	62.7 Å²	62.7	70%	0.702	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.7	176.1	-56.2	180	0	0	0	112.7	N157 R161	N157-L159 PolarHBondContact O-N 3.28Å; N157-L159 WeakPolarHBondContact OD1-CB 3.46Å; N157-L159 PolarHBondContact OD1-N 2.7Å; L159-R161 PolarHBondContact O-N 3.38Å; L159-R161 VanDerWaalsContact O-N 3.09Å
160	C	72.8	Confident	81.4	Confident	11 Å²	11	58 Å²	58	7%	0.074	29%	0.289	C	S	.	.			trans	-63.3	114.2	176	-174.9	0	0	0	0	109.7	Q154 N157 S162	Q154-C160 WeakPolarHBondContact O-CB 3.5Å; N157-C160 HydrophobicContact CB-CB 4.02Å; N157-C160 WeakPolarHBondContact O-CB 3.41Å; N157-C160 PolarHBondContact O-N 2.92Å; C160-S162 PolarHBondContact SG-OG 2.97Å; C160-S162 VanDerWaalsContact SG-OG 3.4Å
161	R	72.3	Confident	82.3	Confident	65 Å²	65	57.5 Å²	57.5	25%	0.245	29%	0.286	C	S	.	.			trans	-104.3	-2.7	173.8	-61.7	-64.2	-179.1	-164	-5.8	112.5	R109 L159 L163	R109-R161 PolarHBondContact NE-O 2.98Å; R109-R161 PolarHBondContact NH1-O 3.41Å; R109-R161 VanDerWaalsContact NH1-O 3.09Å; R109-R161 PolarHBondContact NH2-O 2.74Å; L159-R161 PolarHBondContact O-N 3.38Å; L159-R161 VanDerWaalsContact O-N 3.09Å; R161-L163 VanDerWaalsContact C-N 3.29Å; R161-L163 PolarHBondContact O-N 3.12Å
162	S	77.3	Confident	83.1	Confident	67 Å²	67	52.8 Å²	52.8	47%	0.469	27%	0.27	S	S	.	.			trans	-89.1	18	-172.1	67.5	0	0	0	0	114.3	R109 Q154 C160	R109-S162 VanDerWaalsContact NH2-C 3.3Å; R109-S162 VanDerWaalsContact NH2-CA 3.34Å; Q154-S162 PolarHBondContact NE2-OG 2.91Å; C160-S162 PolarHBondContact SG-OG 2.97Å; C160-S162 VanDerWaalsContact SG-OG 3.4Å
163	L	86.9	Confident	84	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.052	24%	0.242	C	C	.	.			trans	-67.5	142.4	178.6	-63.3	175.3	0	0	0	110.3	H77 R109 W144 V150 R161 Y165	H77-L163 HydrophobicContact CB-CD1 3.59Å; R109-L163 VanDerWaalsContact CZ-O 3.31Å; R109-L163 PolarHBondContact NH1-O 2.86Å; R109-L163 PolarHBondContact NH2-O 2.89Å; W144-L163 WeakPolarHBondContact CZ2-O 3.48Å; V150-L163 HydrophobicContact CB-CD2 4.43Å; V150-L163 HydrophobicContact CG1-CD2 3.45Å; V150-L163 VanDerWaalsContact CG1-CD2 3.45Å; V150-L163 HydrophobicContact CG2-CD2 4.04Å; R161-L163 VanDerWaalsContact C-N 3.29Å; R161-L163 PolarHBondContact O-N 3.12Å; L163-Y165 HydrophobicContact CB-CD1 4.22Å; L163-Y165 HydrophobicContact CB-CE1 4.04Å; L163-Y165 HydrophobicContact CD1-CE1 4.27Å; L163-Y165 HydrophobicContact CD1-CE2 4.43Å; L163-Y165 PolarHBondContact O-N 2.79Å
164	P	91.7	Very high	84.9	Confident	20 Å²	20	45.7 Å²	45.7	13%	0.13	23%	0.225	C	C	.	.	S	Bend	trans	-78.4	21.4	-177.5	33.4	-35.5	0	0	0	113	W144 G145 D146 V150	W144-P164 PolarHBondContact N-O 3.32Å; G145-P164 PolarHBondContact N-O 3.34Å; D146-P164 WeakPolarHBondContact O-CG 3.47Å; V150-P164 HydrophobicContact CG2-CG 3.72Å
165	Y	93.3	Very high	85.6	Confident	33 Å²	33	48.5 Å²	48.5	13%	0.129	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	164.4	176.5	64.6	-91.6	0	0	0	110.9	L142 E147 L163	L142-Y165 CarbonylContact O-C 3.56Å; L142-Y165 WeakPolarHBondContact O-CA 3.21Å; L142-Y165 WeakPolarHBondContact O-CB 3.31Å; E147-Y165 HydrophobicContact CG-CD1 3.86Å; E147-Y165 HydrophobicContact CG-CE1 4.01Å; L163-Y165 HydrophobicContact CB-CD1 4.22Å; L163-Y165 HydrophobicContact CB-CE1 4.04Å; L163-Y165 HydrophobicContact CD1-CE1 4.27Å; L163-Y165 HydrophobicContact CD1-CE2 4.43Å; L163-Y165 PolarHBondContact O-N 2.79Å
166	A	95	Very high	86.1	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.033	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.5	168	0	0	0	0	0	110	L74 I95 Q141 L142 W144	L74-A166 HydrophobicContact CD1-CB 3.76Å; I95-A166 HydrophobicContact CD1-CB 3.42Å; I95-A166 VanDerWaalsContact CD1-CB 3.42Å; Q141-A166 CarbonylContact C-O 3.45Å; Q141-A166 WeakPolarHBondContact CA-O 3.22Å; L142-A166 PolarHBondContact N-O 3.38Å; L142-A166 PolarHBondContact O-N 2.87Å; W144-A166 HydrophobicContact CH2-CB 3.69Å; W144-A166 HydrophobicContact CZ3-CB 3.92Å
167	T	96.1	Very high	86.8	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122	173.8	-60	0	0	0	0	109.1	I75 L124 V140 Q141 I227	I75-T167 HydrophobicContact CB-CG2 4.41Å; I75-T167 HydrophobicContact CD1-CG2 4.23Å; I75-T167 PolarHBondContact N-O 3.46Å; L124-T167 HydrophobicContact CD2-CG2 3.39Å; V140-T167 CarbonylContact O-C 3.53Å; V140-T167 WeakPolarHBondContact O-CA 3.25Å; Q141-T167 PolarHBondContact NE2-OG1 3.23Å; T167-I227 HydrophobicContact CG2-CG2 3.88Å
168	L	97.8	Very high	87.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	150.2	-179.1	-60.1	174	0	0	0	110.4	L72 T73 L74 I86 G139 V140 L142 V204 F207	L72-L168 HydrophobicContact CD1-CD1 4.48Å; T73-L168 CarbonylContact O-C 3.59Å; T73-L168 VanDerWaalsContact O-CA 3.28Å; T73-L168 WeakPolarHBondContact O-CA 3.04Å; L74-L168 HydrophobicContact CB-CD2 4.12Å; L74-L168 HydrophobicContact CD1-CD2 3.76Å; I86-L168 HydrophobicContact CD1-CD1 4.05Å; I86-L168 HydrophobicContact CD1-CD2 3.81Å; I86-L168 HydrophobicContact CG1-CD1 4.1Å; I86-L168 HydrophobicContact CG1-CD2 4.31Å; G139-L168 CarbonylContact C-O 3.58Å; G139-L168 WeakPolarHBondContact CA-O 3.4Å; V140-L168 PolarHBondContact N-O 2.8Å; V140-L168 PolarHBondContact O-N 3.26Å; L142-L168 HydrophobicContact CD1-CD1 4.07Å; L168-V204 HydrophobicContact CB-CG2 3.91Å; L168-F207 HydrophobicContact CD1-CD1 4.23Å; L168-F207 HydrophobicContact CD1-CE1 3.81Å; L168-F207 HydrophobicContact CD1-CZ 4.38Å
169	T	97.6	Very high	88.2	Confident	10 Å²	10	54 Å²	54	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	175.6	168	-171.9	0	0	0	0	109.7	T73 I75 P138	T73-T169 HydrophobicContact CG2-CG2 3.88Å; T73-T169 PolarHBondContact N-O 2.84Å; T73-T169 VanDerWaalsContact N-O 3.14Å; T73-T169 PolarHBondContact O-N 2.87Å; I75-T169 HydrophobicContact CD1-CG2 3.86Å; I75-T169 HydrophobicContact CG1-CG2 4.25Å; P138-T169 WeakPolarHBondContact O-CB 3.25Å; P138-T169 PolarHBondContact O-OG1 2.78Å
170	H	96.4	Very high	89	Confident	29 Å²	29	48.5 Å²	48.5	13%	0.134	25%	0.246	C	C	.	.			trans	-54.5	149	176.2	-57.3	-89.8	0	0	0	111.1	T73 P138 Y174 D203 N205	T73-H170 WeakPolarHBondContact CB-O 3.22Å; T73-H170 PolarHBondContact OG1-O 2.83Å; P138-H170 WeakPolarHBondContact CG-NE2 3.43Å; H170-Y174 HydrophobicContact CB-CD1 4.08Å; H170-Y174 HydrophobicContact CB-CG 4.12Å; H170-Y174 AromaticContact CE1-CE1 3.73Å; H170-Y174 AromaticContact CE1-CZ 3.96Å; H170-Y174 AromaticContact CG-CD1 3.85Å; H170-Y174 AromaticContact ND1-CD1 3.48Å; H170-Y174 WeakPolarHBondContact ND1-CD1 3.16Å; H170-Y174 AromaticContact ND1-CE1 3.54Å; H170-Y174 AromaticContact ND1-CG 3.71Å; H170-Y174 AromaticContact ND1-CZ 3.85Å; H170-D203 IonicContact CE1-OD1 2.97Å; H170-D203 PolarHBondContact CE1-OD1 3.39Å; H170-D203 IonicContact ND1-OD1 3.06Å; H170-D203 PolarHBondContact ND1-OD1 2.82Å; H170-D203 VanDerWaalsContact ND1-OD1 3.15Å; H170-N205 PolarHBondContact CE1-ND2 3.49Å; H170-N205 VanDerWaalsContact CE1-ND2 3.32Å
171	H	96	Very high	89.6	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.032	25%	0.253	C	S	.	.			trans	-73.8	148.1	168.1	-167.4	-108.3	0	0	0	110.4	I71 T73 E83 L173 Y174 Y202 F247	I71-H171 WeakPolarHBondContact O-CB 3.4Å; T73-H171 WeakPolarHBondContact OG1-CA 3.41Å; E83-H171 IonicContact OE1-CE1 3.41Å; E83-H171 PolarHBondContact OE1-CE1 3.01Å; E83-H171 IonicContact OE1-NE2 2.78Å; E83-H171 PolarHBondContact OE1-NE2 3.45Å; H171-L173 VanDerWaalsContact CE1-CG 3.47Å; H171-L173 WeakPolarHBondContact CE1-CG 3.44Å; H171-L173 VanDerWaalsContact ND1-CB 3.35Å; H171-L173 WeakPolarHBondContact ND1-CB 3.45Å; H171-L173 VanDerWaalsContact ND1-CG 3.31Å; H171-L173 WeakPolarHBondContact ND1-CG 3.41Å; H171-L173 PolarHBondContact ND1-N 3.23Å; H171-L173 PolarHBondContact O-N 3.35Å; H171-Y174 WeakPolarHBondContact O-CB 3.08Å; H171-Y174 PolarHBondContact O-N 2.91Å; H171-Y202 HydrophobicContact CB-CD1 3.78Å; H171-Y202 HydrophobicContact CB-CG 4.29Å; H171-Y202 AromaticContact CG-CD1 3.82Å; H171-Y202 PolarHBondContact N-O 2.89Å; H171-Y202 AromaticContact ND1-CD1 3.52Å; H171-Y202 AromaticContact ND1-CE1 3.83Å; H171-F247 AromaticContact CD2-CD1 3.93Å; H171-F247 AromaticContact CD2-CE1 3.71Å; H171-F247 AromaticContact NE2-CD1 3.35Å; H171-F247 WeakPolarHBondContact NE2-CD1 3.37Å; H171-F247 AromaticContact NE2-CE1 3.63Å
172	P	93.8	Very high	89.8	Confident	47 Å²	47	52 Å²	52	31%	0.305	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.4	175.6	-28	36.3	0	0	0	114.3	Y174 F247	P172-Y174 VanDerWaalsContact C-N 3.3Å; P172-F247 HydrophobicContact CG-CD1 4.22Å; P172-F247 HydrophobicContact CG-CE1 3.67Å; P172-F247 HydrophobicContact CG-CE2 4.22Å; P172-F247 HydrophobicContact CG-CZ 3.65Å
173	L	92.9	Very high	89.7	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.052	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.2	174.3	-61.7	-178.9	0	0	0	114.2	P39 I40 H171 S175 K176 L180 Y202	P39-L173 HydrophobicContact CB-CD1 3.69Å; I40-L173 HydrophobicContact CB-CD1 3.98Å; I40-L173 HydrophobicContact CB-CD2 3.82Å; I40-L173 HydrophobicContact CD1-CD2 3.72Å; I40-L173 HydrophobicContact CG1-CD2 3.77Å; H171-L173 VanDerWaalsContact CE1-CG 3.47Å; H171-L173 WeakPolarHBondContact CE1-CG 3.44Å; H171-L173 VanDerWaalsContact ND1-CB 3.35Å; H171-L173 WeakPolarHBondContact ND1-CB 3.45Å; H171-L173 VanDerWaalsContact ND1-CG 3.31Å; H171-L173 WeakPolarHBondContact ND1-CG 3.41Å; H171-L173 PolarHBondContact ND1-N 3.23Å; H171-L173 PolarHBondContact O-N 3.35Å; L173-S175 PolarHBondContact O-N 3.23Å; L173-K176 HydrophobicContact CD2-CB 4.4Å; L173-K176 HydrophobicContact CD2-CD 4Å; L173-K176 PolarHBondContact O-N 3.35Å; L173-L180 HydrophobicContact CB-CD2 4.3Å; L173-L180 HydrophobicContact CD1-CD2 4.19Å; L173-Y202 HydrophobicContact CB-CD1 3.95Å; L173-Y202 HydrophobicContact CB-CD2 4.08Å; L173-Y202 HydrophobicContact CB-CE1 4Å; L173-Y202 HydrophobicContact CB-CE2 4.16Å; L173-Y202 HydrophobicContact CB-CG 3.98Å; L173-Y202 HydrophobicContact CD1-CD1 4.43Å; L173-Y202 HydrophobicContact CD1-CE1 3.7Å; L173-Y202 HydrophobicContact CD1-CE2 4.45Å; L173-Y202 HydrophobicContact CG-CE1 4.41Å
174	Y	92.8	Very high	89.3	Confident	71 Å²	71	54.7 Å²	54.7	28%	0.278	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-54.9	-40.5	174.9	-178.8	-112.3	0	0	0	111.8	H170 H171 P172 K176 V199 D203	H170-Y174 HydrophobicContact CB-CD1 4.08Å; H170-Y174 HydrophobicContact CB-CG 4.12Å; H170-Y174 AromaticContact CE1-CE1 3.73Å; H170-Y174 AromaticContact CE1-CZ 3.96Å; H170-Y174 AromaticContact CG-CD1 3.85Å; H170-Y174 AromaticContact ND1-CD1 3.48Å; H170-Y174 WeakPolarHBondContact ND1-CD1 3.16Å; H170-Y174 AromaticContact ND1-CE1 3.54Å; H170-Y174 AromaticContact ND1-CG 3.71Å; H170-Y174 AromaticContact ND1-CZ 3.85Å; H171-Y174 WeakPolarHBondContact O-CB 3.08Å; H171-Y174 PolarHBondContact O-N 2.91Å; P172-Y174 VanDerWaalsContact C-N 3.3Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 2.95Å; Y174-V199 HydrophobicContact CD2-CB 3.87Å; Y174-V199 HydrophobicContact CD2-CG2 3.87Å; Y174-V199 HydrophobicContact CE2-CB 4.25Å; Y174-V199 HydrophobicContact CE2-CG2 3.74Å; Y174-D203 HydrophobicContact CD2-CB 3.65Å; Y174-D203 HydrophobicContact CE2-CB 3.33Å; Y174-D203 WeakPolarHBondContact CE2-OD2 3.23Å; Y174-D203 VanDerWaalsContact CZ-OD2 3.31Å; Y174-D203 PolarHBondContact OH-OD2 3.38Å
175	S	89.8	Confident	88.2	Confident	109 Å²	109	53.9 Å²	53.9	76%	0.762	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-84.1	1.3	177.1	-52	0	0	0	0	114	L173	L173-S175 PolarHBondContact O-N 3.23Å
176	K	86.5	Confident	87.6	Confident	86 Å²	86	55.1 Å²	55.1	37%	0.374	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-117.7	35.3	-174.2	-62.5	-176.9	176.5	-174.8	0	112.9	L173 Y174 D178 Q179	L173-K176 HydrophobicContact CD2-CB 4.4Å; L173-K176 HydrophobicContact CD2-CD 4Å; L173-K176 PolarHBondContact O-N 3.35Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 2.95Å; K176-D178 PolarHBondContact O-N 3.37Å; K176-D178 VanDerWaalsContact O-N 3.1Å; K176-Q179 HydrophobicContact CB-CB 4.34Å; K176-Q179 HydrophobicContact CB-CG 4.45Å; K176-Q179 PolarHBondContact O-N 3.44Å
177	R	83	Confident	87.1	Confident	155 Å²	155	55 Å²	55	59%	0.585	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-50.1	-39	-178.4	79.8	-174.7	-179.2	-178.5	-4.7	113.5	Q179 L180 V199	R177-Q179 PolarHBondContact O-N 2.88Å; R177-L180 PolarHBondContact O-N 2.88Å; R177-V199 HydrophobicContact CB-CG1 3.37Å
178	D	84.2	Confident	86.7	Confident	141 Å²	141	58.9 Å²	58.9	75%	0.754	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-76.8	-8	-174.8	-51.7	-42.2	0	0	0	112.6	K176	K176-D178 PolarHBondContact O-N 3.37Å; K176-D178 VanDerWaalsContact O-N 3.1Å
179	Q	86.9	Confident	86.2	Confident	117 Å²	117	59.8 Å²	59.8	55%	0.547	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-102.1	-7.1	177.9	-58.7	179	14.6	0	0	112.6	K176 R177	K176-Q179 HydrophobicContact CB-CB 4.34Å; K176-Q179 HydrophobicContact CB-CG 4.45Å; K176-Q179 PolarHBondContact O-N 3.44Å; R177-Q179 PolarHBondContact O-N 2.88Å
180	L	86.5	Confident	85.9	Confident	19 Å²	19	59.3 Å²	59.3	10%	0.099	32%	0.316	C	S	.	.	S	Bend	trans	-75	141.9	-179	-61.8	175.2	0	0	0	110.5	L173 R177 S182 V185 P198 V199 Y202	L173-L180 HydrophobicContact CB-CD2 4.3Å; L173-L180 HydrophobicContact CD1-CD2 4.19Å; R177-L180 PolarHBondContact O-N 2.88Å; L180-S182 PolarHBondContact O-N 2.89Å; L180-V185 HydrophobicContact CD1-CG1 4.2Å; L180-P198 WeakPolarHBondContact CD1-O 3.43Å; L180-V199 HydrophobicContact CD1-CG1 3.96Å; L180-Y202 HydrophobicContact CD1-CD2 4.06Å; L180-Y202 HydrophobicContact CD1-CE2 3.64Å; L180-Y202 HydrophobicContact CD2-CE2 3.77Å; L180-Y202 HydrophobicContact CG-CE2 4.38Å
181	P	85.1	Confident	85.6	Confident	36 Å²	36	58.1 Å²	58.1	23%	0.234	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-53	139	170.2	-27.3	35.7	0	0	0	110.8	I40 M42 K183 Q184	I40-P181 WeakPolarHBondContact O-CD 3.23Å; M42-P181 WeakPolarHBondContact O-CG 3.47Å; P181-K183 PolarHBondContact O-N 3.22Å; P181-Q184 HydrophobicContact CB-CB 4.42Å; P181-Q184 WeakPolarHBondContact O-CB 3.38Å; P181-Q184 PolarHBondContact O-N 2.84Å; P181-Q184 VanDerWaalsContact O-N 3.15Å
182	S	76.8	Confident	85.3	Confident	113 Å²	113	59 Å²	59	79%	0.79	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	131.4	-177.5	-50.6	0	0	0	0	110.6	L180 Q184	L180-S182 PolarHBondContact O-N 2.89Å; S182-Q184 PolarHBondContact O-N 3.21Å; S182-Q184 VanDerWaalsContact O-N 3.11Å
183	K	73.6	Confident	84.5	Confident	135 Å²	135	63.9 Å²	63.9	59%	0.587	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	5.4	177.6	-50.8	178.3	179.8	178.6	0	116.7	Q44 P181 V185 N186	Q44-K183 HydrophobicContact CB-CB 4.48Å; Q44-K183 WeakPolarHBondContact CB-O 3.32Å; Q44-K183 WeakPolarHBondContact CG-O 3.3Å; P181-K183 PolarHBondContact O-N 3.22Å; K183-V185 PolarHBondContact O-N 2.82Å; K183-N186 HydrophobicContact CB-CB 4.44Å; K183-N186 PolarHBondContact O-N 3.13Å
184	Q	79.1	Confident	83.4	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-36.7	177	172.5	-178.1	17.6	0	0	113.5	P39 M42 M47 P181 S182 V187 Y202	P39-Q184 PolarHBondContact O-NE2 2.63Å; M42-Q184 WeakPolarHBondContact O-CB 3.43Å; M42-Q184 WeakPolarHBondContact O-CG 3.1Å; M42-Q184 PolarHBondContact O-NE2 2.94Å; M42-Q184 PolarHBondContact O-OE1 2.83Å; M47-Q184 HydrophobicContact CG-CG 3.78Å; M47-Q184 WeakPolarHBondContact CG-O 3.45Å; P181-Q184 HydrophobicContact CB-CB 4.42Å; P181-Q184 WeakPolarHBondContact O-CB 3.38Å; P181-Q184 PolarHBondContact O-N 2.84Å; P181-Q184 VanDerWaalsContact O-N 3.15Å; S182-Q184 PolarHBondContact O-N 3.21Å; S182-Q184 VanDerWaalsContact O-N 3.11Å; Q184-V187 VanDerWaalsContact O-CG2 3.31Å; Q184-V187 WeakPolarHBondContact O-CG2 3.3Å; Q184-Y202 PolarHBondContact NE2-OH 2.86Å
185	V	69.9	Low	82.3	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-4.1	-162.2	-73.2	0	0	0	0	111.8	L180 K183 V187 P198 V201 Y202	L180-V185 HydrophobicContact CD1-CG1 4.2Å; K183-V185 PolarHBondContact O-N 2.82Å; V185-V187 PolarHBondContact O-N 3.11Å; V185-P198 HydrophobicContact CB-CB 4.32Å; V185-P198 WeakPolarHBondContact CB-O 3.46Å; V185-P198 WeakPolarHBondContact CG1-O 3.33Å; V185-P198 HydrophobicContact CG2-CB 3.23Å; V185-P198 WeakPolarHBondContact CG2-O 3.34Å; V185-V201 HydrophobicContact CB-CG1 4.45Å; V185-V201 HydrophobicContact CG1-CG1 3.6Å; V185-Y202 HydrophobicContact CG1-CE2 3.98Å
186	N	79.7	Confident	81.4	Confident	59 Å²	59	66.3 Å²	66.3	32%	0.316	35%	0.35	S	S	.	.			trans	-91.6	46.7	171.3	-58.9	8.4	0	0	0	109	Q44 K183 L195	Q44-N186 PolarHBondContact NE2-O 3.49Å; Q44-N186 VanDerWaalsContact NE2-O 3.14Å; K183-N186 HydrophobicContact CB-CB 4.44Å; K183-N186 PolarHBondContact O-N 3.13Å; N186-L195 PolarHBondContact OD1-O 2.88Å; N186-L195 VanDerWaalsContact OD1-O 3.04Å
187	V	84.9	Confident	81.2	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.012	35%	0.345	C	S	.	.	S	Bend	trans	-104.8	125.2	178.6	173.7	0	0	0	0	108.3	Q44 M47 Q48 I51 Q184 V185 G189 A190 L195	Q44-V187 HydrophobicContact CB-CG2 4.24Å; Q44-V187 HydrophobicContact CG-CG2 3.4Å; Q44-V187 WeakPolarHBondContact O-CG2 3.43Å; M47-V187 HydrophobicContact CB-CB 4.39Å; M47-V187 HydrophobicContact CB-CG2 3.79Å; Q48-V187 HydrophobicContact CB-CG1 4.42Å; Q48-V187 HydrophobicContact CG-CB 4.39Å; Q48-V187 HydrophobicContact CG-CG1 3.51Å; Q48-V187 HydrophobicContact CG-CG2 3.99Å; I51-V187 HydrophobicContact CD1-CG1 3.7Å; Q184-V187 VanDerWaalsContact O-CG2 3.31Å; Q184-V187 WeakPolarHBondContact O-CG2 3.3Å; V185-V187 PolarHBondContact O-N 3.11Å; V187-G189 PolarHBondContact O-N 3.3Å; V187-G189 VanDerWaalsContact O-N 3.11Å; V187-A190 HydrophobicContact CB-CB 3.81Å; V187-A190 HydrophobicContact CG1-CB 4.28Å; V187-A190 WeakPolarHBondContact O-CB 3.28Å; V187-A190 PolarHBondContact O-N 3.09Å; V187-L195 VanDerWaalsContact O-CD2 3.23Å; V187-L195 WeakPolarHBondContact O-CD2 3.17Å
188	P	87.2	Confident	80.9	Confident	89 Å²	89	59.4 Å²	59.4	58%	0.578	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	120	173.1	-29.8	37	0	0	0	111.7	A190	P188-A190 VanDerWaalsContact C-N 3.34Å; P188-A190 PolarHBondContact O-N 2.9Å
189	G	88.3	Confident	81.2	Confident	18 Å²	18	53.1 Å²	53.1	19%	0.186	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	2.3	-179	0	0	0	0	0	116.1	A68 L69 V187 G191	A68-G189 CarbonylContact C-O 3.48Å; A68-G189 WeakPolarHBondContact CA-O 3.34Å; L69-G189 PolarHBondContact N-O 3.1Å; V187-G189 PolarHBondContact O-N 3.3Å; V187-G189 VanDerWaalsContact O-N 3.11Å; G189-G191 CarbonylContact C-O 3.57Å
190	A	91.1	Very high	81.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-85.1	111.9	162.3	0	0	0	0	0	108.7	M47 I51 V187 P188 V201	M47-A190 HydrophobicContact CE-CB 3.98Å; I51-A190 HydrophobicContact CD1-CB 4Å; V187-A190 HydrophobicContact CB-CB 3.81Å; V187-A190 HydrophobicContact CG1-CB 4.28Å; V187-A190 WeakPolarHBondContact O-CB 3.28Å; V187-A190 PolarHBondContact O-N 3.09Å; P188-A190 VanDerWaalsContact C-N 3.34Å; P188-A190 PolarHBondContact O-N 2.9Å; A190-V201 HydrophobicContact CB-CB 4.43Å; A190-V201 HydrophobicContact CB-CG2 4.19Å
191	G	89	Confident	81.8	Confident	4 Å²	4	46.7 Å²	46.7	4%	0.041	27%	0.268	C	S	.	.	S	Bend	trans	69.7	178.7	-161.6	0	0	0	0	0	112.3	A68 L69 G189	A68-G191 WeakPolarHBondContact CB-O 3.19Å; L69-G191 PolarHBondContact O-N 2.96Å; G189-G191 CarbonylContact C-O 3.57Å
192	Y	90	Very high	82.3	Confident	26 Å²	26	45 Å²	45	10%	0.102	26%	0.257	C	S	.	.	S	Bend	trans	-112.3	129.3	-177.8	-175.9	-109.3	0	0	0	111.9	I67 D194 N206 T209 A210 E213	I67-Y192 HydrophobicContact CG2-CD2 3.7Å; I67-Y192 HydrophobicContact CG2-CE2 3.66Å; Y192-D194 PolarHBondContact O-N 3.28Å; Y192-N206 WeakPolarHBondContact CB-OD1 3.33Å; Y192-N206 PolarHBondContact N-OD1 3.38Å; Y192-N206 PolarHBondContact O-ND2 3.43Å; Y192-T209 HydrophobicContact CD1-CG2 4.42Å; Y192-T209 HydrophobicContact CE1-CG2 4.47Å; Y192-A210 HydrophobicContact CD1-CB 3.69Å; Y192-A210 HydrophobicContact CD2-CB 3.59Å; Y192-A210 HydrophobicContact CE1-CB 4.21Å; Y192-A210 HydrophobicContact CE2-CB 4.12Å; Y192-A210 HydrophobicContact CG-CB 3.35Å; Y192-E213 PolarHBondContact OH-OE1 2.86Å; Y192-E213 PolarHBondContact OH-OE2 3.24Å
193	E	77.7	Confident	83.1	Confident	149 Å²	149	40.2 Å²	40.2	70%	0.696	22%	0.223	S	C	*	.	S	Bend	trans	53.7	-10.3	171	-70	-171.6	150.4	0	0	119
194	D	69.5	Low	84.2	Confident	56 Å²	56	33.9 Å²	33.9	30%	0.299	20%	0.195	S	C	.	.			trans	-120.2	78.5	-176.4	-165.6	-6.4	0	0	0	111.4	Y192 S196 N197 S200	Y192-D194 PolarHBondContact O-N 3.28Å; D194-S196 PolarHBondContact O-N 3.35Å; D194-S196 WeakPolarHBondContact OD1-CA 3.49Å; D194-S196 WeakPolarHBondContact OD1-CB 3.43Å; D194-S196 PolarHBondContact OD1-N 3.42Å; D194-S196 PolarHBondContact OD1-OG 3.38Å; D194-N197 HydrophobicContact CB-CB 4.2Å; D194-N197 PolarHBondContact O-N 3.13Å; D194-N197 PolarHBondContact OD1-N 3.42Å; D194-N197 WeakPolarHBondContact OD2-CB 3.33Å; D194-S200 PolarHBondContact O-OG 3.06Å
195	L	69	Low	85	Confident	84 Å²	84	37.2 Å²	37.2	44%	0.44	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.5	170.5	-61.8	175.4	0	0	0	112.8	N186 V187	N186-L195 PolarHBondContact OD1-O 2.88Å; N186-L195 VanDerWaalsContact OD1-O 3.04Å; V187-L195 VanDerWaalsContact O-CD2 3.23Å; V187-L195 WeakPolarHBondContact O-CD2 3.17Å
196	S	71.6	Confident	86.2	Confident	100 Å²	100	38.1 Å²	38.1	70%	0.699	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-21.5	178.3	80.1	0	0	0	0	112.5	D194 P198	D194-S196 PolarHBondContact O-N 3.35Å; D194-S196 WeakPolarHBondContact OD1-CA 3.49Å; D194-S196 WeakPolarHBondContact OD1-CB 3.43Å; D194-S196 PolarHBondContact OD1-N 3.42Å; D194-S196 PolarHBondContact OD1-OG 3.38Å; S196-P198 VanDerWaalsContact O-CD 3.29Å; S196-P198 WeakPolarHBondContact O-CD 3.48Å
197	N	81.8	Confident	87	Confident	49 Å²	49	35.3 Å²	35.3	26%	0.262	20%	0.203	S	C	.	.			trans	-93	108.8	177.2	-179.2	-3.4	0	0	0	111.3	D194 V199 S200	D194-N197 HydrophobicContact CB-CB 4.2Å; D194-N197 PolarHBondContact O-N 3.13Å; D194-N197 PolarHBondContact OD1-N 3.42Å; D194-N197 WeakPolarHBondContact OD2-CB 3.33Å; N197-V199 PolarHBondContact O-N 2.73Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.36Å; N197-V199 PolarHBondContact OD1-N 3.02Å; N197-V199 VanDerWaalsContact OD1-N 3.09Å; N197-S200 PolarHBondContact O-N 2.93Å; N197-S200 PolarHBondContact O-OG 3.43Å; N197-S200 VanDerWaalsContact O-OG 3.09Å
198	P	77.3	Confident	87.6	Confident	47 Å²	47	35.7 Å²	35.7	31%	0.305	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.4	-173.7	30	-37.1	0	0	0	115	L180 V185 S196	L180-P198 WeakPolarHBondContact CD1-O 3.43Å; V185-P198 HydrophobicContact CB-CB 4.32Å; V185-P198 WeakPolarHBondContact CB-O 3.46Å; V185-P198 WeakPolarHBondContact CG1-O 3.33Å; V185-P198 HydrophobicContact CG2-CB 3.23Å; V185-P198 WeakPolarHBondContact CG2-O 3.34Å; S196-P198 VanDerWaalsContact O-CD 3.29Å; S196-P198 WeakPolarHBondContact O-CD 3.48Å
199	V	90.2	Very high	88	Confident	10 Å²	10	35 Å²	35	6%	0.061	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	6.6	177.5	-66.3	0	0	0	0	113.5	Y174 R177 L180 N197 V201 Y202 D203	Y174-V199 HydrophobicContact CD2-CB 3.87Å; Y174-V199 HydrophobicContact CD2-CG2 3.87Å; Y174-V199 HydrophobicContact CE2-CB 4.25Å; Y174-V199 HydrophobicContact CE2-CG2 3.74Å; R177-V199 HydrophobicContact CB-CG1 3.37Å; L180-V199 HydrophobicContact CD1-CG1 3.96Å; N197-V199 PolarHBondContact O-N 2.73Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.36Å; N197-V199 PolarHBondContact OD1-N 3.02Å; N197-V199 VanDerWaalsContact OD1-N 3.09Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 2.87Å; V199-Y202 CarbonylContact O-C 3.54Å; V199-Y202 WeakPolarHBondContact O-CA 3.27Å; V199-Y202 WeakPolarHBondContact O-CB 3.35Å; V199-Y202 PolarHBondContact O-N 2.83Å; V199-D203 PolarHBondContact O-N 2.84Å; V199-D203 VanDerWaalsContact O-N 3.16Å
200	S	92.2	Very high	88.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-54.6	-42.4	178.7	59.3	0	0	0	0	112.4	W70 D194 N197 Y202 D203	W70-S200 VanDerWaalsContact CD1-O 3.27Å; D194-S200 PolarHBondContact O-OG 3.06Å; N197-S200 PolarHBondContact O-N 2.93Å; N197-S200 PolarHBondContact O-OG 3.43Å; N197-S200 VanDerWaalsContact O-OG 3.09Å; S200-Y202 PolarHBondContact O-N 3.11Å; S200-Y202 VanDerWaalsContact O-N 3.13Å; S200-D203 WeakPolarHBondContact O-CB 3.39Å; S200-D203 PolarHBondContact O-N 3.5Å
201	V	94	Very high	88.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.2	-21.7	175.6	71	0	0	0	0	113.7	M47 W70 I71 V185 A190 V199	M47-V201 HydrophobicContact CE-CG2 3.93Å; W70-V201 CarbonylContact C-O 3.09Å; W70-V201 VanDerWaalsContact CA-O 3.25Å; W70-V201 WeakPolarHBondContact CA-O 3.31Å; W70-V201 VanDerWaalsContact CB-O 3.31Å; W70-V201 WeakPolarHBondContact CB-O 3.29Å; I71-V201 HydrophobicContact CG1-CG2 4.25Å; I71-V201 PolarHBondContact N-O 3.12Å; V185-V201 HydrophobicContact CB-CG1 4.45Å; V185-V201 HydrophobicContact CG1-CG1 3.6Å; A190-V201 HydrophobicContact CB-CB 4.43Å; A190-V201 HydrophobicContact CB-CG2 4.19Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 2.87Å
202	Y	95.4	Very high	89	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-104.2	-1.5	-179.4	-60.7	-61	0	0	0	112.9	P39 I71 L72 H171 L173 L180 Q184 V185 V199 S200	P39-Y202 HydrophobicContact CB-CE1 4.21Å; P39-Y202 PolarHBondContact O-OH 3.16Å; I71-Y202 HydrophobicContact CB-CD1 3.96Å; I71-Y202 HydrophobicContact CB-CE1 3.82Å; I71-Y202 HydrophobicContact CD1-CE1 3.94Å; I71-Y202 HydrophobicContact CG1-CE1 4.33Å; I71-Y202 HydrophobicContact CG2-CD1 4.46Å; I71-Y202 HydrophobicContact CG2-CE1 4.21Å; L72-Y202 WeakPolarHBondContact CD2-O 3.14Å; H171-Y202 HydrophobicContact CB-CD1 3.78Å; H171-Y202 HydrophobicContact CB-CG 4.29Å; H171-Y202 AromaticContact CG-CD1 3.82Å; H171-Y202 PolarHBondContact N-O 2.89Å; H171-Y202 AromaticContact ND1-CD1 3.52Å; H171-Y202 AromaticContact ND1-CE1 3.83Å; L173-Y202 HydrophobicContact CB-CD1 3.95Å; L173-Y202 HydrophobicContact CB-CD2 4.08Å; L173-Y202 HydrophobicContact CB-CE1 4Å; L173-Y202 HydrophobicContact CB-CE2 4.16Å; L173-Y202 HydrophobicContact CB-CG 3.98Å; L173-Y202 HydrophobicContact CD1-CD1 4.43Å; L173-Y202 HydrophobicContact CD1-CE1 3.7Å; L173-Y202 HydrophobicContact CD1-CE2 4.45Å; L173-Y202 HydrophobicContact CG-CE1 4.41Å; L180-Y202 HydrophobicContact CD1-CD2 4.06Å; L180-Y202 HydrophobicContact CD1-CE2 3.64Å; L180-Y202 HydrophobicContact CD2-CE2 3.77Å; L180-Y202 HydrophobicContact CG-CE2 4.38Å; Q184-Y202 PolarHBondContact NE2-OH 2.86Å; V185-Y202 HydrophobicContact CG1-CE2 3.98Å; V199-Y202 CarbonylContact O-C 3.54Å; V199-Y202 WeakPolarHBondContact O-CA 3.27Å; V199-Y202 WeakPolarHBondContact O-CB 3.35Å; V199-Y202 PolarHBondContact O-N 2.83Å; S200-Y202 PolarHBondContact O-N 3.11Å; S200-Y202 VanDerWaalsContact O-N 3.13Å
203	D	94.6	Very high	89.3	Confident	14 Å²	14	43 Å²	43	8%	0.075	23%	0.226	C	C	.	.			trans	-98.2	115	-172.7	-166.2	-16.2	0	0	0	111.6	H170 Y174 V199 S200 N205 N206 F207	H170-D203 IonicContact CE1-OD1 2.97Å; H170-D203 PolarHBondContact CE1-OD1 3.39Å; H170-D203 IonicContact ND1-OD1 3.06Å; H170-D203 PolarHBondContact ND1-OD1 2.82Å; H170-D203 VanDerWaalsContact ND1-OD1 3.15Å; Y174-D203 HydrophobicContact CD2-CB 3.65Å; Y174-D203 HydrophobicContact CE2-CB 3.33Å; Y174-D203 WeakPolarHBondContact CE2-OD2 3.23Å; Y174-D203 VanDerWaalsContact CZ-OD2 3.31Å; Y174-D203 PolarHBondContact OH-OD2 3.38Å; V199-D203 PolarHBondContact O-N 2.84Å; V199-D203 VanDerWaalsContact O-N 3.16Å; S200-D203 WeakPolarHBondContact O-CB 3.39Å; S200-D203 PolarHBondContact O-N 3.5Å; D203-N205 PolarHBondContact O-N 2.88Å; D203-N205 WeakPolarHBondContact OD1-CB 3.48Å; D203-N205 PolarHBondContact OD1-N 2.97Å; D203-N206 HydrophobicContact CB-CB 3.81Å; D203-N206 PolarHBondContact O-N 2.93Å; D203-F207 PolarHBondContact O-N 2.67Å
204	V	96.4	Very high	90.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-26.2	176.1	73.7	0	0	0	0	112.4	L72 V140 L168 F207 L208	L72-V204 HydrophobicContact CD1-CB 4.33Å; L72-V204 HydrophobicContact CD1-CG2 4.16Å; L72-V204 HydrophobicContact CD2-CB 4.43Å; V140-V204 HydrophobicContact CB-CG2 3.98Å; V140-V204 HydrophobicContact CG2-CG1 4.46Å; V140-V204 HydrophobicContact CG2-CG2 3.65Å; L168-V204 HydrophobicContact CB-CG2 3.91Å; V204-F207 HydrophobicContact CG2-CD1 4.48Å; V204-F207 WeakPolarHBondContact O-CB 3.19Å; V204-F207 PolarHBondContact O-N 3.42Å; V204-L208 WeakPolarHBondContact O-CB 3.49Å; V204-L208 PolarHBondContact O-N 2.62Å
205	N	95.1	Very high	91.4	Very high	70 Å²	70	34.5 Å²	34.5	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-73.8	-34.4	176.6	-63.8	-46	0	0	0	111.3	H170 D203 F207 L208 T209	H170-N205 PolarHBondContact CE1-ND2 3.49Å; H170-N205 VanDerWaalsContact CE1-ND2 3.32Å; D203-N205 PolarHBondContact O-N 2.88Å; D203-N205 WeakPolarHBondContact OD1-CB 3.48Å; D203-N205 PolarHBondContact OD1-N 2.97Å; N205-F207 VanDerWaalsContact C-N 3.32Å; N205-L208 WeakPolarHBondContact O-CB 3.38Å; N205-L208 PolarHBondContact O-N 2.77Å; N205-T209 PolarHBondContact O-N 2.99Å; N205-T209 PolarHBondContact O-OG1 3.47Å; N205-T209 VanDerWaalsContact O-OG1 3.13Å
206	N	95.2	Very high	92.6	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.118	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-41.3	172.9	-178.2	-92.3	0	0	0	110.7	W70 Y192 D203 T209 A210	W70-N206 PolarHBondContact NE1-OD1 2.55Å; Y192-N206 WeakPolarHBondContact CB-OD1 3.33Å; Y192-N206 PolarHBondContact N-OD1 3.38Å; Y192-N206 PolarHBondContact O-ND2 3.43Å; D203-N206 HydrophobicContact CB-CB 3.81Å; D203-N206 PolarHBondContact O-N 2.93Å; N206-T209 PolarHBondContact O-N 2.97Å; N206-A210 PolarHBondContact O-N 3.19Å
207	F	96.5	Very high	93.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-47.4	169.1	165.1	-107.2	0	0	0	112.7	W70 L72 I86 L142 L168 D203 V204 N205 T209 A210 L211	W70-F207 HydrophobicContact CD2-CB 3.88Å; W70-F207 HydrophobicContact CD2-CD2 4.12Å; W70-F207 HydrophobicContact CD2-CG 4.46Å; W70-F207 VanDerWaalsContact CE2-CA 3.47Å; W70-F207 HydrophobicContact CE3-CB 4.43Å; W70-F207 AromaticContact CE3-CD2 3.81Å; W70-F207 HydrophobicContact CE3-CD2 3.81Å; W70-F207 HydrophobicContact CG-CB 4.1Å; W70-F207 AromaticContact CH2-CD2 3.96Å; W70-F207 HydrophobicContact CH2-CD2 3.96Å; W70-F207 VanDerWaalsContact CZ2-CA 3.47Å; W70-F207 HydrophobicContact CZ2-CB 4.09Å; W70-F207 HydrophobicContact CZ2-CD2 4.26Å; W70-F207 AromaticContact CZ3-CD2 3.75Å; W70-F207 HydrophobicContact CZ3-CD2 3.75Å; W70-F207 HydrophobicContact CZ3-CE2 4.45Å; L72-F207 HydrophobicContact CD1-CB 3.97Å; L72-F207 HydrophobicContact CD1-CD1 4.37Å; L72-F207 HydrophobicContact CD1-CG 4.21Å; I86-F207 HydrophobicContact CG2-CD2 3.88Å; I86-F207 HydrophobicContact CG2-CE2 3.58Å; I86-F207 HydrophobicContact CG2-CZ 4.05Å; L142-F207 HydrophobicContact CD1-CE1 4.04Å; L142-F207 HydrophobicContact CD1-CZ 3.95Å; L142-F207 HydrophobicContact CD2-CE1 4.4Å; L168-F207 HydrophobicContact CD1-CD1 4.23Å; L168-F207 HydrophobicContact CD1-CE1 3.81Å; L168-F207 HydrophobicContact CD1-CZ 4.38Å; D203-F207 PolarHBondContact O-N 2.67Å; V204-F207 HydrophobicContact CG2-CD1 4.48Å; V204-F207 WeakPolarHBondContact O-CB 3.19Å; V204-F207 PolarHBondContact O-N 3.42Å; N205-F207 VanDerWaalsContact C-N 3.32Å; F207-T209 VanDerWaalsContact C-N 3.29Å; F207-T209 PolarHBondContact O-N 3.3Å; F207-A210 PolarHBondContact O-N 3.07Å; F207-L211 HydrophobicContact CE1-CD2 4.13Å; F207-L211 HydrophobicContact CE2-CB 4.31Å; F207-L211 HydrophobicContact CZ-CB 4.25Å; F207-L211 HydrophobicContact CZ-CD1 4.41Å; F207-L211 HydrophobicContact CZ-CD2 3.89Å; F207-L211 HydrophobicContact CZ-CG 4.42Å; F207-L211 WeakPolarHBondContact O-CB 3.44Å; F207-L211 PolarHBondContact O-N 3.18Å
208	L	96.9	Very high	94.2	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-39.9	179.4	177.3	68.8	0	0	0	112.2	V119 T121 V140 V204 N205 L211 R212 F222	V119-L208 HydrophobicContact CG1-CD1 3.89Å; T121-L208 HydrophobicContact CG2-CD1 3.75Å; T121-L208 HydrophobicContact CG2-CD2 3.56Å; T121-L208 HydrophobicContact CG2-CG 4.31Å; V140-L208 HydrophobicContact CG1-CD1 4.18Å; V140-L208 HydrophobicContact CG2-CB 4.33Å; V140-L208 HydrophobicContact CG2-CD1 4.43Å; V140-L208 HydrophobicContact CG2-CD2 4.43Å; V204-L208 WeakPolarHBondContact O-CB 3.49Å; V204-L208 PolarHBondContact O-N 2.62Å; N205-L208 WeakPolarHBondContact O-CB 3.38Å; N205-L208 PolarHBondContact O-N 2.77Å; L208-L211 PolarHBondContact O-N 2.84Å; L208-R212 HydrophobicContact CD1-CG 4.48Å; L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 WeakPolarHBondContact O-CG 3.31Å; L208-R212 PolarHBondContact O-N 2.82Å; L208-F222 HydrophobicContact CD1-CD1 4.49Å; L208-F222 HydrophobicContact CD1-CE1 4.31Å
209	T	95.9	Very high	95	Very high	73 Å²	73	41.3 Å²	41.3	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-51.8	175.7	-62	0	0	0	0	110.8	Y192 N205 N206 F207 L211 R212 E213	Y192-T209 HydrophobicContact CD1-CG2 4.42Å; Y192-T209 HydrophobicContact CE1-CG2 4.47Å; N205-T209 PolarHBondContact O-N 2.99Å; N205-T209 PolarHBondContact O-OG1 3.47Å; N205-T209 VanDerWaalsContact O-OG1 3.13Å; N206-T209 PolarHBondContact O-N 2.97Å; F207-T209 VanDerWaalsContact C-N 3.29Å; F207-T209 PolarHBondContact O-N 3.3Å; T209-L211 VanDerWaalsContact C-N 3.32Å; T209-L211 PolarHBondContact O-N 3.15Å; T209-R212 PolarHBondContact O-N 3.32Å; T209-E213 PolarHBondContact O-N 2.97Å; T209-E213 VanDerWaalsContact O-N 3.13Å
210	A	96.5	Very high	95.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-42.9	178.3	0	0	0	0	0	112.3	W70 L88 Y192 N206 F207 E213 A214	W70-A210 HydrophobicContact CH2-CB 3.56Å; W70-A210 HydrophobicContact CZ2-CB 3.61Å; L88-A210 HydrophobicContact CD2-CB 3.72Å; Y192-A210 HydrophobicContact CD1-CB 3.69Å; Y192-A210 HydrophobicContact CD2-CB 3.59Å; Y192-A210 HydrophobicContact CE1-CB 4.21Å; Y192-A210 HydrophobicContact CE2-CB 4.12Å; Y192-A210 HydrophobicContact CG-CB 3.35Å; N206-A210 PolarHBondContact O-N 3.19Å; F207-A210 PolarHBondContact O-N 3.07Å; A210-E213 PolarHBondContact O-N 3.13Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 3.42Å
211	L	97.6	Very high	95.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-43.8	178.7	-177.3	69.4	0	0	0	111.5	L88 L113 L116 V119 L142 F207 L208 T209 E213 A214 C215	L88-L211 HydrophobicContact CD1-CD1 4.05Å; L113-L211 HydrophobicContact CD2-CD1 3.7Å; L116-L211 HydrophobicContact CD1-CD1 4.11Å; V119-L211 HydrophobicContact CG2-CD2 4.09Å; L142-L211 HydrophobicContact CD2-CD2 3.41Å; L142-L211 VanDerWaalsContact CD2-CD2 3.41Å; F207-L211 HydrophobicContact CE1-CD2 4.13Å; F207-L211 HydrophobicContact CE2-CB 4.31Å; F207-L211 HydrophobicContact CZ-CB 4.25Å; F207-L211 HydrophobicContact CZ-CD1 4.41Å; F207-L211 HydrophobicContact CZ-CD2 3.89Å; F207-L211 HydrophobicContact CZ-CG 4.42Å; F207-L211 WeakPolarHBondContact O-CB 3.44Å; F207-L211 PolarHBondContact O-N 3.18Å; L208-L211 PolarHBondContact O-N 2.84Å; T209-L211 VanDerWaalsContact C-N 3.32Å; T209-L211 PolarHBondContact O-N 3.15Å; L211-E213 VanDerWaalsContact C-N 3.27Å; L211-E213 PolarHBondContact O-N 3.14Å; L211-A214 PolarHBondContact O-N 3.32Å; L211-C215 WeakPolarHBondContact O-CB 3.44Å; L211-C215 PolarHBondContact O-N 2.97Å; L211-C215 PolarHBondContact O-SG 3.06Å
212	R	96.4	Very high	95.5	Very high	113 Å²	113	50.5 Å²	50.5	43%	0.426	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-41.1	177.1	-82.1	178.6	176.4	161.1	2.5	111.8	L208 T209 S216 F222	L208-R212 HydrophobicContact CD1-CG 4.48Å; L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 WeakPolarHBondContact O-CG 3.31Å; L208-R212 PolarHBondContact O-N 2.82Å; T209-R212 PolarHBondContact O-N 3.32Å; R212-S216 PolarHBondContact O-N 3.16Å; R212-F222 HydrophobicContact CB-CE1 4.45Å; R212-F222 HydrophobicContact CB-CZ 4.49Å; R212-F222 HydrophobicContact CG-CD1 3.72Å; R212-F222 HydrophobicContact CG-CE1 3.35Å; R212-F222 HydrophobicContact CG-CE2 4.48Å; R212-F222 HydrophobicContact CG-CG 4.43Å; R212-F222 HydrophobicContact CG-CZ 3.79Å
213	E	96	Very high	95.5	Very high	103 Å²	103	52.9 Å²	52.9	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-68.8	-48	178.1	-171.2	170.6	162.3	0	0	112	Y192 T209 A210 L211 C215 S216	Y192-E213 PolarHBondContact OH-OE1 2.86Å; Y192-E213 PolarHBondContact OH-OE2 3.24Å; T209-E213 PolarHBondContact O-N 2.97Å; T209-E213 VanDerWaalsContact O-N 3.13Å; A210-E213 PolarHBondContact O-N 3.13Å; L211-E213 VanDerWaalsContact C-N 3.27Å; L211-E213 PolarHBondContact O-N 3.14Å; E213-C215 PolarHBondContact O-N 3.29Å; E213-S216 WeakPolarHBondContact O-CB 3.35Å; E213-S216 PolarHBondContact O-N 3.23Å
214	A	96.1	Very high	95.6	Very high	23 Å²	23	58.6 Å²	58.6	19%	0.19	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-28.2	176.9	0	0	0	0	0	112.9	I67 L88 L113 A210 L211 M218	I67-A214 HydrophobicContact CD1-CB 4.2Å; L88-A214 HydrophobicContact CD1-CB 4.43Å; L88-A214 HydrophobicContact CD2-CB 4.06Å; L88-A214 HydrophobicContact CG-CB 4.49Å; L113-A214 HydrophobicContact CD1-CB 3.85Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 3.42Å; L211-A214 PolarHBondContact O-N 3.32Å; A214-M218 WeakPolarHBondContact O-CE 3.49Å
215	C	95.9	Very high	95.5	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.027	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.1	176.3	-72.3	0	0	0	0	114.1	L211 E213 G217 M218 I220 F222	L211-C215 WeakPolarHBondContact O-CB 3.44Å; L211-C215 PolarHBondContact O-N 2.97Å; L211-C215 PolarHBondContact O-SG 3.06Å; E213-C215 PolarHBondContact O-N 3.29Å; C215-G217 PolarHBondContact O-N 3.07Å; C215-M218 HydrophobicContact CB-SD 4.47Å; C215-M218 WeakPolarHBondContact O-CB 3.49Å; C215-M218 PolarHBondContact O-N 3.13Å; C215-I220 HydrophobicContact CB-CD1 3.7Å; C215-I220 WeakPolarHBondContact SG-CD1 3.49Å; C215-F222 HydrophobicContact CB-CE2 4.3Å; C215-F222 HydrophobicContact CB-CZ 4.2Å
216	S	94	Very high	95.5	Very high	99 Å²	99	62.9 Å²	62.9	69%	0.692	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.7	-179.7	-173.4	0	0	0	0	111	R212 E213 M218	R212-S216 PolarHBondContact O-N 3.16Å; E213-S216 WeakPolarHBondContact O-CB 3.35Å; E213-S216 PolarHBondContact O-N 3.23Å; S216-M218 VanDerWaalsContact C-N 3.31Å; S216-M218 PolarHBondContact O-N 3.29Å
217	G	92.5	Very high	95.4	Very high	85 Å²	85	61.9 Å²	61.9	88%	0.876	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-3.1	-176.4	0	0	0	0	0	115.5	C215	C215-G217 PolarHBondContact O-N 3.07Å
218	M	94.7	Very high	95.2	Very high	73 Å²	73	65.3 Å²	65.3	36%	0.36	37%	0.37	S	S	.	.	S	Bend	trans	-86.3	152.4	171.7	-55.8	-175.1	-168.3	0	0	111.1	L113 A214 C215 S216 I220	L113-M218 HydrophobicContact CB-CE 3.93Å; L113-M218 HydrophobicContact CB-SD 3.76Å; L113-M218 HydrophobicContact CD1-CE 4.32Å; A214-M218 WeakPolarHBondContact O-CE 3.49Å; C215-M218 HydrophobicContact CB-SD 4.47Å; C215-M218 WeakPolarHBondContact O-CB 3.49Å; C215-M218 PolarHBondContact O-N 3.13Å; S216-M218 VanDerWaalsContact C-N 3.31Å; S216-M218 PolarHBondContact O-N 3.29Å; M218-I220 VanDerWaalsContact C-N 3.28Å; M218-I220 HydrophobicContact CB-CD1 3.77Å; M218-I220 HydrophobicContact CB-CG1 4Å; M218-I220 PolarHBondContact O-N 2.9Å; M218-I220 HydrophobicContact SD-CD1 4.07Å
219	N	93.1	Very high	94.8	Very high	167 Å²	167	65.3 Å²	65.3	89%	0.893	37%	0.37	S	S	*	.			trans	-83.3	70.3	177.3	-170	21.6	0	0	0	111.2
220	I	94.3	Very high	94.2	Very high	18 Å²	18	66.5 Å²	66.5	9%	0.092	37%	0.37	C	S	.	.			trans	-118.5	128.8	-179	-58.4	166.9	0	0	0	109	L116 V119 C215 M218 F222	L116-I220 HydrophobicContact CB-CD1 3.8Å; L116-I220 HydrophobicContact CB-CG1 4.08Å; L116-I220 HydrophobicContact CB-CG2 4.16Å; L116-I220 HydrophobicContact CD1-CD1 4.39Å; V119-I220 HydrophobicContact CG2-CG2 4.14Å; C215-I220 HydrophobicContact CB-CD1 3.7Å; C215-I220 WeakPolarHBondContact SG-CD1 3.49Å; M218-I220 VanDerWaalsContact C-N 3.28Å; M218-I220 HydrophobicContact CB-CD1 3.77Å; M218-I220 HydrophobicContact CB-CG1 4Å; M218-I220 PolarHBondContact O-N 2.9Å; M218-I220 HydrophobicContact SD-CD1 4.07Å; I220-F222 HydrophobicContact CB-CE2 4.03Å; I220-F222 HydrophobicContact CG2-CD2 4.27Å; I220-F222 HydrophobicContact CG2-CE2 3.82Å; I220-F222 HydrophobicContact CG2-CZ 4.3Å; I220-F222 PolarHBondContact O-N 2.78Å
221	Q	95.2	Very high	93.4	Very high	120 Å²	120	66.8 Å²	66.8	56%	0.561	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.2	-179.8	-172.5	-177.6	20.6	0	0	111.2	I117 S118 V119 T223	I117-Q221 PolarHBondContact O-N 2.9Å; S118-Q221 CarbonylContact C-O 3.43Å; S118-Q221 WeakPolarHBondContact CA-O 3.47Å; V119-Q221 PolarHBondContact N-O 2.88Å; Q221-T223 HydrophobicContact CG-CG2 3.79Å
222	F	96.5	Very high	92.3	Very high	65 Å²	65	72.9 Å²	72.9	29%	0.285	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.8	169.2	-71.6	-95.1	0	0	0	110.2	V119 L208 R212 C215 I220	V119-F222 HydrophobicContact CB-CD1 3.58Å; V119-F222 HydrophobicContact CB-CE1 3.59Å; V119-F222 HydrophobicContact CB-CG 4.31Å; V119-F222 HydrophobicContact CB-CZ 4.32Å; V119-F222 HydrophobicContact CG1-CD1 3.88Å; V119-F222 HydrophobicContact CG1-CE1 3.83Å; V119-F222 HydrophobicContact CG2-CD1 4.17Å; V119-F222 HydrophobicContact CG2-CE1 3.68Å; V119-F222 HydrophobicContact CG2-CZ 3.99Å; V119-F222 WeakPolarHBondContact O-CA 3.31Å; L208-F222 HydrophobicContact CD1-CD1 4.49Å; L208-F222 HydrophobicContact CD1-CE1 4.31Å; R212-F222 HydrophobicContact CB-CE1 4.45Å; R212-F222 HydrophobicContact CB-CZ 4.49Å; R212-F222 HydrophobicContact CG-CD1 3.72Å; R212-F222 HydrophobicContact CG-CE1 3.35Å; R212-F222 HydrophobicContact CG-CE2 4.48Å; R212-F222 HydrophobicContact CG-CG 4.43Å; R212-F222 HydrophobicContact CG-CZ 3.79Å; C215-F222 HydrophobicContact CB-CE2 4.3Å; C215-F222 HydrophobicContact CB-CZ 4.2Å; I220-F222 HydrophobicContact CB-CE2 4.03Å; I220-F222 HydrophobicContact CG2-CD2 4.27Å; I220-F222 HydrophobicContact CG2-CE2 3.82Å; I220-F222 HydrophobicContact CG2-CZ 4.3Å; I220-F222 PolarHBondContact O-N 2.78Å
223	T	96.8	Very high	91.2	Very high	50 Å²	50	69.4 Å²	69.4	31%	0.307	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.2	-179.2	47	0	0	0	0	111.9	V119 I120 T121 Q221	V119-T223 PolarHBondContact O-N 3.25Å; I120-T223 WeakPolarHBondContact CA-O 3.37Å; T121-T223 PolarHBondContact N-O 3.32Å; T121-T223 PolarHBondContact OG1-O 3.41Å; Q221-T223 HydrophobicContact CG-CG2 3.79Å
224	N	96.6	Very high	90.4	Very high	133 Å²	133	66.2 Å²	66.2	71%	0.711	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.5	170.6	-167.5	-9.2	0	0	0	109.2	T121	T121-N224 CarbonylContact O-C 3.2Å; T121-N224 WeakPolarHBondContact O-CA 3.23Å; T121-N224 PolarHBondContact O-OD1 3Å
225	G	94.7	Very high	89.4	Confident	27 Å²	27	71.6 Å²	71.6	28%	0.278	41%	0.406	S	S	.	.			trans	178.4	168.1	-177.7	0	0	0	0	0	112.7	T121 G122 I227	T121-G225 PolarHBondContact O-N 2.91Å; G122-G225 WeakPolarHBondContact CA-O 3.47Å; G225-I227 PolarHBondContact O-N 3.09Å
226	E	93.7	Very high	88.8	Confident	134 Å²	134	73.6 Å²	73.6	63%	0.626	43%	0.427	S	S	*	.			trans	-62.6	132.4	175.6	-63.7	-172	149.1	0	0	111.1	P123 V125	P123-E226 HydrophobicContact CG-CG 4.22Å; V125-E226 HydrophobicContact CG1-CB 4.31Å; V125-E226 HydrophobicContact CG1-CG 4.18Å; V125-E226 HydrophobicContact CG2-CB 3.78Å; V125-E226 HydrophobicContact CG2-CG 4.35Å
227	I	94.2	Very high	88.2	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	101.6	173.3	-61	164.3	0	0	0	107.1	I120 P123 L124 V125 G139 Q141 T167 G225 I229	I120-I227 HydrophobicContact CB-CG1 4.44Å; I120-I227 HydrophobicContact CG2-CG1 3.93Å; P123-I227 PolarHBondContact O-N 3.47Å; L124-I227 WeakPolarHBondContact CA-O 3.04Å; L124-I227 HydrophobicContact CD2-CB 3.89Å; L124-I227 HydrophobicContact CD2-CD1 4.39Å; L124-I227 HydrophobicContact CD2-CG2 3.7Å; V125-I227 PolarHBondContact N-O 3.44Å; G139-I227 VanDerWaalsContact C-CD1 3.42Å; G139-I227 VanDerWaalsContact O-CD1 3.26Å; G139-I227 WeakPolarHBondContact O-CD1 3.4Å; Q141-I227 HydrophobicContact CB-CD1 4.09Å; Q141-I227 HydrophobicContact CB-CG1 4.19Å; Q141-I227 HydrophobicContact CB-CG2 3.97Å; T167-I227 HydrophobicContact CG2-CG2 3.88Å; G225-I227 PolarHBondContact O-N 3.09Å; I227-I229 PolarHBondContact O-N 3.34Å
228	V	91.1	Very high	87.7	Confident	73 Å²	73	66 Å²	66	44%	0.442	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.9	-178.5	-174.8	0	0	0	0	110.2	V125 P127	V125-V228 HydrophobicContact CG2-CB 4.47Å; V125-V228 HydrophobicContact CG2-CG2 3.92Å; V125-V228 WeakPolarHBondContact O-CA 3.31Å; P127-V228 HydrophobicContact CG-CG1 3.9Å
229	I	88.7	Confident	87.3	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.051	37%	0.367	C	S	.	.			trans	-96.1	116.4	169.6	-56	166.2	0	0	0	107.5	I75 N79 L124 V125 F126 P127 I227 S231	I75-I229 HydrophobicContact CD1-CD1 4.43Å; I75-I229 HydrophobicContact CG2-CD1 3.94Å; I75-I229 HydrophobicContact CG2-CG1 4.48Å; N79-I229 HydrophobicContact CB-CG2 3.8Å; N79-I229 WeakPolarHBondContact OD1-CD1 3.38Å; L124-I229 HydrophobicContact CB-CD1 4.08Å; L124-I229 HydrophobicContact CD2-CD1 4.08Å; L124-I229 HydrophobicContact CD2-CG1 4.32Å; V125-I229 PolarHBondContact O-N 3.23Å; F126-I229 HydrophobicContact CD1-CB 4.12Å; F126-I229 HydrophobicContact CE1-CB 3.98Å; F126-I229 HydrophobicContact CE1-CD1 4.32Å; F126-I229 HydrophobicContact CE1-CG2 4.11Å; P127-I229 VanDerWaalsContact CD-O 3.23Å; P127-I229 WeakPolarHBondContact CD-O 3.14Å; I227-I229 PolarHBondContact O-N 3.34Å; I229-S231 PolarHBondContact O-N 2.76Å
230	E	83.3	Confident	87.1	Confident	98 Å²	98	60.8 Å²	60.8	46%	0.458	33%	0.334	S	S	.	.			trans	-70.7	50.6	-176.2	-59.6	-164.3	128.4	0	0	114.1	K155	K155-E230 IonicContact NZ-OE1 2.84Å; K155-E230 IonicContact NZ-OE2 3.82Å; K155-E230 PolarHBondContact NZ-OE2 3.23Å
231	S	80	Confident	86.9	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.042	34%	0.335	C	S	.	.			trans	-109.8	118.6	175	-176.3	0	0	0	0	110.4	S130 M132 I229 N234	S130-S231 WeakPolarHBondContact CB-O 3.4Å; S130-S231 PolarHBondContact OG-O 3.46Å; M132-S231 WeakPolarHBondContact CG-O 3.26Å; I229-S231 PolarHBondContact O-N 2.76Å; S231-N234 WeakPolarHBondContact OG-CB 3.34Å
232	Y	74.5	Confident	86.6	Confident	128 Å²	128	62.2 Å²	62.2	50%	0.502	34%	0.341	S	S	.	.	S	Bend	trans	-102.5	-10.4	-173.6	-70.1	-93.9	0	0	0	114.4	P127 S130 L131	P127-Y232 HydrophobicContact CB-CD1 4.22Å; P127-Y232 HydrophobicContact CB-CE1 3.53Å; P127-Y232 HydrophobicContact CG-CD1 4.4Å; P127-Y232 HydrophobicContact CG-CE1 3.8Å; P127-Y232 HydrophobicContact CG-CE2 4.09Å; S130-Y232 WeakPolarHBondContact OG-CA 3.37Å; L131-Y232 PolarHBondContact N-O 2.88Å
233	G	72.6	Confident	86.2	Confident	40 Å²	40	61.6 Å²	61.6	41%	0.412	34%	0.344	S	S	.	.	S	Bend	trans	170	31.5	-174.5	0	0	0	0	0	113.3	L235	G233-L235 VanDerWaalsContact C-N 3.31Å; G233-L235 PolarHBondContact O-N 2.85Å
234	N	79	Confident	85.9	Confident	37 Å²	37	62.7 Å²	62.7	20%	0.198	35%	0.348	C	S	.	.			trans	-80.1	78.9	-178.2	-173.4	1.5	0	0	0	110.7	W78 M132 S231 G236 S237 V238	W78-N234 PolarHBondContact O-ND2 3.31Å; M132-N234 HydrophobicContact SD-CB 4.44Å; M132-N234 PolarHBondContact SD-N 3.4Å; M132-N234 VanDerWaalsContact SD-N 3.37Å; S231-N234 WeakPolarHBondContact OG-CB 3.34Å; N234-G236 PolarHBondContact O-N 2.88Å; N234-G236 VanDerWaalsContact O-N 3.16Å; N234-G236 WeakPolarHBondContact OD1-CA 3.44Å; N234-G236 PolarHBondContact OD1-N 2.78Å; N234-S237 PolarHBondContact O-N 3.07Å; N234-S237 PolarHBondContact O-OG 3.38Å; N234-S237 PolarHBondContact OD1-N 3.21Å; N234-V238 PolarHBondContact O-N 2.73Å
235	L	76.9	Confident	85.5	Confident	136 Å²	136	61.2 Å²	61.2	71%	0.712	34%	0.34	S	S	*	.	H	α-helix	trans	-52.7	-32	172.7	-77.4	161.3	0	0	0	112.2	G233 S237 V238 V239	G233-L235 VanDerWaalsContact C-N 3.31Å; G233-L235 PolarHBondContact O-N 2.85Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.07Å; L235-V238 WeakPolarHBondContact O-CB 3.44Å; L235-V238 PolarHBondContact O-N 3.2Å; L235-V238 VanDerWaalsContact O-N 3.16Å; L235-V239 WeakPolarHBondContact O-CG2 3.14Å; L235-V239 PolarHBondContact O-N 3.03Å
236	G	81.6	Confident	85.3	Confident	45 Å²	45	60.7 Å²	60.7	46%	0.464	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-44.2	174.7	0	0	0	0	0	112.3	N234 V238 V239 F240	N234-G236 PolarHBondContact O-N 2.88Å; N234-G236 VanDerWaalsContact O-N 3.16Å; N234-G236 WeakPolarHBondContact OD1-CA 3.44Å; N234-G236 PolarHBondContact OD1-N 2.78Å; G236-V238 VanDerWaalsContact C-N 3.33Å; G236-V238 PolarHBondContact O-N 3.28Å; G236-V239 PolarHBondContact O-N 2.68Å; G236-F240 VanDerWaalsContact O-CB 3.26Å; G236-F240 WeakPolarHBondContact O-CB 3.47Å; G236-F240 PolarHBondContact O-N 3.47Å
237	S	83.2	Confident	85.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-34.9	176.1	71.7	0	0	0	0	112.9	W78 N79 N80 M132 N234 L235 F240 N241	W78-S237 WeakPolarHBondContact O-CB 3.19Å; N79-S237 PolarHBondContact ND2-OG 2.68Å; N80-S237 WeakPolarHBondContact OD1-CA 3.11Å; N80-S237 WeakPolarHBondContact OD1-CB 3.11Å; M132-S237 WeakPolarHBondContact CE-OG 3.2Å; N234-S237 PolarHBondContact O-N 3.07Å; N234-S237 PolarHBondContact O-OG 3.38Å; N234-S237 PolarHBondContact OD1-N 3.21Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.07Å; S237-F240 PolarHBondContact O-N 2.85Å; S237-N241 WeakPolarHBondContact O-CB 3.18Å; S237-N241 PolarHBondContact O-N 3.14Å; S237-N241 PolarHBondContact O-ND2 2.74Å; S237-N241 PolarHBondContact O-OD1 2.58Å
238	V	81.9	Confident	85.3	Confident	25 Å²	25	56.5 Å²	56.5	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-50.3	176.2	179.9	0	0	0	0	109.9	M132 P133 N234 L235 G236 F240 N241 Q242	M132-V238 HydrophobicContact CE-CG2 3.58Å; M132-V238 HydrophobicContact SD-CG2 4.09Å; P133-V238 HydrophobicContact CG-CG2 4.36Å; N234-V238 PolarHBondContact O-N 2.73Å; L235-V238 WeakPolarHBondContact O-CB 3.44Å; L235-V238 PolarHBondContact O-N 3.2Å; L235-V238 VanDerWaalsContact O-N 3.16Å; G236-V238 VanDerWaalsContact C-N 3.33Å; G236-V238 PolarHBondContact O-N 3.28Å; V238-F240 PolarHBondContact O-N 3.26Å; V238-N241 PolarHBondContact O-N 3.21Å; V238-Q242 HydrophobicContact CG1-CG 4.47Å; V238-Q242 WeakPolarHBondContact O-CB 3.32Å; V238-Q242 VanDerWaalsContact O-CG 3.27Å; V238-Q242 WeakPolarHBondContact O-CG 3.09Å; V238-Q242 PolarHBondContact O-N 2.85Å
239	V	85.5	Confident	85.2	Confident	84 Å²	84	58.1 Å²	58.1	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-41.7	178.4	177.2	0	0	0	0	111	L235 G236 S243	L235-V239 WeakPolarHBondContact O-CG2 3.14Å; L235-V239 PolarHBondContact O-N 3.03Å; G236-V239 PolarHBondContact O-N 2.68Å; V239-S243 WeakPolarHBondContact O-CB 3.29Å; V239-S243 PolarHBondContact O-N 2.99Å; V239-S243 PolarHBondContact O-OG 3.02Å
240	F	89.4	Confident	84.8	Confident	46 Å²	46	60.5 Å²	60.5	20%	0.202	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-48.9	179.4	-176	-84.8	0	0	0	111.9	N80 E81 G236 S237 V238 S243 N244 L245	N80-F240 HydrophobicContact CB-CD1 3.78Å; N80-F240 HydrophobicContact CB-CE1 3.87Å; N80-F240 HydrophobicContact CB-CG 4.42Å; E81-F240 WeakPolarHBondContact O-CE1 3.13Å; G236-F240 VanDerWaalsContact O-CB 3.26Å; G236-F240 WeakPolarHBondContact O-CB 3.47Å; G236-F240 PolarHBondContact O-N 3.47Å; S237-F240 PolarHBondContact O-N 2.85Å; V238-F240 PolarHBondContact O-N 3.26Å; F240-S243 PolarHBondContact O-N 3.46Å; F240-N244 PolarHBondContact O-N 3.17Å; F240-L245 HydrophobicContact CD1-CB 4.36Å; F240-L245 HydrophobicContact CD2-CB 3.63Å; F240-L245 HydrophobicContact CD2-CD1 3.78Å; F240-L245 HydrophobicContact CD2-CG 4.34Å; F240-L245 HydrophobicContact CE1-CB 4.23Å; F240-L245 HydrophobicContact CE2-CB 3.47Å; F240-L245 VanDerWaalsContact CE2-CB 3.47Å; F240-L245 HydrophobicContact CE2-CD1 4.26Å; F240-L245 HydrophobicContact CG-CB 4.09Å; F240-L245 HydrophobicContact CG-CD1 4.42Å; F240-L245 HydrophobicContact CZ-CB 3.79Å; F240-L245 PolarHBondContact O-N 3.09Å
241	N	90.1	Very high	84.1	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.112	34%	0.343	C	S	.	.	H	α-helix	trans	-69.8	-46.1	-178.7	-64	-8.7	0	0	0	111	N79 N80 E81 S237 V238 S243 N244	N79-N241 PolarHBondContact O-ND2 2.82Å; N80-N241 WeakPolarHBondContact CA-OD1 3.48Å; E81-N241 PolarHBondContact N-OD1 2.93Å; S237-N241 WeakPolarHBondContact O-CB 3.18Å; S237-N241 PolarHBondContact O-N 3.14Å; S237-N241 PolarHBondContact O-ND2 2.74Å; S237-N241 PolarHBondContact O-OD1 2.58Å; V238-N241 PolarHBondContact O-N 3.21Å; N241-S243 PolarHBondContact O-N 2.98Å; N241-N244 PolarHBondContact O-N 3.43Å
242	Q	88.2	Confident	83.1	Confident	148 Å²	148	68 Å²	68	69%	0.692	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-33.6	176.6	-75.6	178.8	-0.6	0	0	112.5	V238 N244	V238-Q242 HydrophobicContact CG1-CG 4.47Å; V238-Q242 WeakPolarHBondContact O-CB 3.32Å; V238-Q242 VanDerWaalsContact O-CG 3.27Å; V238-Q242 WeakPolarHBondContact O-CG 3.09Å; V238-Q242 PolarHBondContact O-N 2.85Å; Q242-N244 VanDerWaalsContact C-N 3.28Å; Q242-N244 PolarHBondContact O-N 3.04Å
243	S	88.7	Confident	81.9	Confident	51 Å²	51	67.1 Å²	67.1	36%	0.357	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.1	179.3	-58.4	0	0	0	0	113.8	V239 F240 N241 L245 K249	V239-S243 WeakPolarHBondContact O-CB 3.29Å; V239-S243 PolarHBondContact O-N 2.99Å; V239-S243 PolarHBondContact O-OG 3.02Å; F240-S243 PolarHBondContact O-N 3.46Å; N241-S243 PolarHBondContact O-N 2.98Å; S243-L245 PolarHBondContact O-N 3Å; S243-K249 WeakPolarHBondContact O-CE 3.15Å; S243-K249 PolarHBondContact O-NZ 3.28Å
244	N	89.2	Confident	80.5	Confident	73 Å²	73	71.9 Å²	71.9	39%	0.39	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	41	-173.5	-65	-62.7	0	0	0	112.7	F240 N241 Q242 G246 F247 K249	F240-N244 PolarHBondContact O-N 3.17Å; N241-N244 PolarHBondContact O-N 3.43Å; Q242-N244 VanDerWaalsContact C-N 3.28Å; Q242-N244 PolarHBondContact O-N 3.04Å; N244-G246 PolarHBondContact O-N 3.11Å; N244-F247 HydrophobicContact CB-CD2 3.98Å; N244-F247 PolarHBondContact O-N 3.27Å; N244-K249 WeakPolarHBondContact O-CE 3.34Å
245	L	89	Confident	78.4	Confident	103 Å²	103	79.2 Å²	79.2	54%	0.539	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.6	-176	-76.2	177	0	0	0	113.3	F240 S243 F247	F240-L245 HydrophobicContact CD1-CB 4.36Å; F240-L245 HydrophobicContact CD2-CB 3.63Å; F240-L245 HydrophobicContact CD2-CD1 3.78Å; F240-L245 HydrophobicContact CD2-CG 4.34Å; F240-L245 HydrophobicContact CE1-CB 4.23Å; F240-L245 HydrophobicContact CE2-CB 3.47Å; F240-L245 VanDerWaalsContact CE2-CB 3.47Å; F240-L245 HydrophobicContact CE2-CD1 4.26Å; F240-L245 HydrophobicContact CG-CB 4.09Å; F240-L245 HydrophobicContact CG-CD1 4.42Å; F240-L245 HydrophobicContact CZ-CB 3.79Å; F240-L245 PolarHBondContact O-N 3.09Å; S243-L245 PolarHBondContact O-N 3Å; L245-F247 VanDerWaalsContact C-N 3.31Å
246	G	91.1	Very high	78.5	Confident	16 Å²	16	76.4 Å²	76.4	17%	0.165	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.7	177.5	0	0	0	0	0	115.2	E81 E83 N244	E81-G246 WeakPolarHBondContact O-CA 3.21Å; E83-G246 WeakPolarHBondContact CB-O 3.1Å; E83-G246 PolarHBondContact N-O 3.15Å; N244-G246 PolarHBondContact O-N 3.11Å
247	F	94.6	Very high	78.4	Confident	23 Å²	23	78.1 Å²	78.1	10%	0.101	45%	0.449	C	S	.	.	S	Bend	trans	-118.4	146.6	-174.8	-60.1	-88.3	0	0	0	111.7	T73 E81 E83 H171 P172 N244 L245 K249	T73-F247 HydrophobicContact CG2-CE1 4.38Å; T73-F247 HydrophobicContact CG2-CZ 3.86Å; E81-F247 HydrophobicContact CB-CE2 4.04Å; E81-F247 HydrophobicContact CB-CZ 4.09Å; E83-F247 HydrophobicContact CB-CD1 3.66Å; E83-F247 HydrophobicContact CB-CE1 4.21Å; E83-F247 HydrophobicContact CB-CG 4.35Å; E83-F247 HydrophobicContact CG-CD1 4.14Å; H171-F247 AromaticContact CD2-CD1 3.93Å; H171-F247 AromaticContact CD2-CE1 3.71Å; H171-F247 AromaticContact NE2-CD1 3.35Å; H171-F247 WeakPolarHBondContact NE2-CD1 3.37Å; H171-F247 AromaticContact NE2-CE1 3.63Å; P172-F247 HydrophobicContact CG-CD1 4.22Å; P172-F247 HydrophobicContact CG-CE1 3.67Å; P172-F247 HydrophobicContact CG-CE2 4.22Å; P172-F247 HydrophobicContact CG-CZ 3.65Å; N244-F247 HydrophobicContact CB-CD2 3.98Å; N244-F247 PolarHBondContact O-N 3.27Å; L245-F247 VanDerWaalsContact C-N 3.31Å; F247-K249 PolarHBondContact O-N 2.95Å
248	A	93.3	Very high	78.1	Confident	24 Å²	24	82.4 Å²	82.4	20%	0.198	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-62.9	122.9	172.4	0	0	0	0	0	110.2	A38 E83 F100	A38-A248 HydrophobicContact CB-CB 3.85Å; A38-A248 WeakPolarHBondContact CB-O 3.33Å; E83-A248 VanDerWaalsContact OE2-CB 3.22Å; E83-A248 WeakPolarHBondContact OE2-CB 3.41Å; E83-A248 PolarHBondContact OE2-N 2.9Å; F100-A248 HydrophobicContact CB-CB 3.95Å; F100-A248 HydrophobicContact CD2-CB 4.17Å; F100-A248 HydrophobicContact CG-CB 4.39Å
249	K	88.4	Confident	77.9	Confident	106 Å²	106	85.8 Å²	85.8	46%	0.461	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-90.8	134.7	177.1	-65.2	-175.8	178.8	-176.3	0	109.5	S243 N244 F247 K251	S243-K249 WeakPolarHBondContact O-CE 3.15Å; S243-K249 PolarHBondContact O-NZ 3.28Å; N244-K249 WeakPolarHBondContact O-CE 3.34Å; F247-K249 PolarHBondContact O-N 2.95Å; K249-K251 PolarHBondContact O-N 3.1Å
250	P	79.6	Confident	77.4	Confident	61 Å²	61	85.9 Å²	85.9	40%	0.396	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-59.8	139.7	170.6	27.7	-33.7	0	0	0	108.4	I40 N41 T252	I40-P250 HydrophobicContact CG2-CB 4.31Å; I40-P250 HydrophobicContact CG2-CG 4.32Å; N41-P250 VanDerWaalsContact ND2-CB 3.33Å; N41-P250 WeakPolarHBondContact ND2-CB 3.38Å; P250-T252 PolarHBondContact O-N 3.33Å; P250-T252 VanDerWaalsContact O-N 3.17Å
251	K	69.9	Low	76.6	Confident	137 Å²	137	88.5 Å²	88.5	60%	0.596	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-62.9	120.9	169.8	-68.1	-174.4	-179.8	-179.2	0	107.1	I35 K249	I35-K251 HydrophobicContact CG2-CD 4.25Å; I35-K251 VanDerWaalsContact CG2-NZ 3.31Å; K249-K251 PolarHBondContact O-N 3.1Å
252	T	58	Low	75.6	Confident	123 Å²	123	93.4 Å²	93.4	76%	0.755	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-57.4	129.1	170	-29.8	0	0	0	0	107.1	P250 T254	P250-T252 PolarHBondContact O-N 3.33Å; P250-T252 VanDerWaalsContact O-N 3.17Å; T252-T254 PolarHBondContact O-N 3.45Å
253	P	49.8	Very low	74.6	Confident	111 Å²	111	89.2 Å²	89.2	72%	0.721	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-57.9	116.6	171	22.1	-29.1	0	0	0	107.1	S255	P253-S255 PolarHBondContact O-N 3.12Å; P253-S255 VanDerWaalsContact O-N 3.12Å
254	T	44.2	Very low	73.5	Confident	140 Å²	140	92.3 Å²	92.3	86%	0.859	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-60.4	116.1	169	43	0	0	0	0	106.6	T252	T252-T254 PolarHBondContact O-N 3.45Å
255	S	34.7	Very low	72	Confident	191 Å²	191	94.1 Å²	94.1	100%	1.336	56%	0.557	S	S	*	*			trans	-63.6	0	177.4	-29.8	0	0	0	0	111.1	P253	P253-S255 PolarHBondContact O-N 3.12Å; P253-S255 VanDerWaalsContact O-N 3.12Å

Retrieved 255 of 255 residues in 215.5 ms (Link to these results)

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