A0A077ZET3_TRITR Loading...

cyclic pyranopterin monophosphate synthase

AlphaFold DB , UniProt , Accession A0A077ZET3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 555 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	36.8	Very low	32.4	Very low	258 Å²	258	183.3 Å²	183.3	100%	1.271	89%	0.894	S	S	*	*				0	142	0	-67.7	169.8	176.4	0	0	107.9
2	G	31.1	Very low	32.4	Very low	78 Å²	78	177 Å²	177	80%	0.804	89%	0.894	S	S	*	*			trans	161.2	122.7	-175.9	0	0	0	0	0	109.6
3	N	34.2	Very low	32.2	Very low	174 Å²	174	169.2 Å²	169.2	93%	0.93	89%	0.885	S	S	*	*			trans	-91	151.3	-161.3	-96.1	-25.3	0	0	0	114.8
4	R	31.4	Very low	32.1	Very low	230 Å²	230	162.6 Å²	162.6	87%	0.868	88%	0.879	S	S	*	*			trans	-71.8	148.3	164.1	-66.3	173.3	169.5	175.2	-4.8	110.6
5	L	37.6	Very low	32	Very low	174 Å²	174	161.3 Å²	161.3	91%	0.911	88%	0.878	S	S	*	*			trans	-157.8	158.7	143	-108.5	165.1	0	0	0	110.1
6	I	31.4	Very low	31.9	Very low	128 Å²	128	158 Å²	158	66%	0.656	87%	0.87	S	S	*	*			trans	-145	145.7	-159.9	-79.4	174.5	0	0	0	111.6
7	R	30.7	Very low	31.6	Very low	239 Å²	239	154.6 Å²	154.6	90%	0.902	87%	0.868	S	S	*	*			trans	72.9	153.3	-176	-57.2	141.8	-180	-164.1	-1.7	112.7
8	K	31	Very low	31.5	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.896	86%	0.862	S	S	*	*			cis	-135.9	171.4	12.2	-92.1	-173.8	171.9	178.8	0	109.1
9	A	31.2	Very low	31.3	Very low	85 Å²	85	154 Å²	154	70%	0.702	86%	0.861	S	S	*	*			cis	-170	167.9	-19.4	0	0	0	0	0	111.1
10	M	26.5	Very low	31.2	Very low	188 Å²	188	154.9 Å²	154.9	93%	0.926	86%	0.858	S	S	*	*			trans	11.1	130.4	159.7	-66.7	172.6	160.4	0	0	122.3
11	R	34.3	Very low	31	Very low	256 Å²	256	151.1 Å²	151.1	97%	0.966	85%	0.846	S	S	*	*			trans	-142.6	152.5	133.7	-78.7	-163	174	-170.5	-2.2	110.8
12	A	33.1	Very low	30.5	Very low	108 Å²	108	144.6 Å²	144.6	89%	0.893	82%	0.822	S	S	*	*			trans	-113.5	167.8	172	0	0	0	0	0	109.7
13	G	29.8	Very low	30.5	Very low	75 Å²	75	148.4 Å²	148.4	77%	0.773	82%	0.823	S	S	*	*			cis	160.9	163.3	-6.9	0	0	0	0	0	112.9
14	G	29.8	Very low	30.2	Very low	78 Å²	78	147.1 Å²	147.1	80%	0.804	82%	0.817	S	S	*	*			trans	80.3	170.3	175.2	0	0	0	0	0	115.5
15	V	31.8	Very low	30.1	Very low	142 Å²	142	142 Å²	142	86%	0.861	81%	0.813	S	S	*	*			cis	-165	149.9	-5	-178.8	0	0	0	0	105.4
16	S	29.8	Very low	29.6	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	80%	0.803	S	S	*	*			cis	-175.4	166	-27	66.8	0	0	0	0	106.6
17	A	27.5	Very low	29.3	Very low	101 Å²	101	142.5 Å²	142.5	84%	0.835	81%	0.813	S	S	*	*			cis	-176.4	153.3	-23.8	0	0	0	0	0	107.2
18	G	30	Very low	29	Very low	73 Å²	73	136 Å²	136	75%	0.753	80%	0.804	S	S	*	*			trans	-168	99.5	-174.4	0	0	0	0	0	120
19	R	25.9	Very low	28.9	Very low	224 Å²	224	130.7 Å²	130.7	85%	0.845	79%	0.793	S	S	*	*			trans	41.7	145.5	149.3	-54.4	-171.4	178.4	-163.3	0.2	123.7
20	H	30.5	Very low	28.8	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.796	80%	0.795	S	S	*	*			trans	71.3	144.3	163.9	-56.5	-69.4	0	0	0	116.8
21	A	26.2	Very low	29	Very low	75 Å²	75	130.2 Å²	130.2	62%	0.62	78%	0.781	S	S	*	*			cis	-162.9	168.8	-20.7	0	0	0	0	0	109.6
22	T	27.4	Very low	29.2	Very low	122 Å²	122	121.4 Å²	121.4	75%	0.748	76%	0.756	S	S	*	*			trans	46.5	105.7	160.3	53	0	0	0	0	119.1
23	D	30.4	Very low	30	Very low	157 Å²	157	119.7 Å²	119.7	84%	0.84	73%	0.732	S	S	*	*				178.4	129.8	103.7	-87.4	-17	0	0	0	112.2
24	D	27.9	Very low	31.4	Very low	148 Å²	148	120.1 Å²	120.1	79%	0.791	71%	0.71	S	S	*	*			trans	-91.9	153	161.6	-88.7	-50.3	0	0	0	108.9
25	P	29.8	Very low	33.6	Very low	123 Å²	123	118.2 Å²	118.2	80%	0.799	68%	0.683	S	S	*	*				-128.9	121.9	117	34.3	-29	0	0	0	113.8	F27	P25-F27 PolarHBondContact O-N 3.32Å
26	V	25.8	Very low	36.3	Very low	116 Å²	116	111.4 Å²	111.4	70%	0.703	64%	0.642	S	S	*	*			trans	-53.8	119	165	173.9	0	0	0	0	110.9
27	F	25	Very low	39.2	Very low	196 Å²	196	109.9 Å²	109.9	86%	0.86	62%	0.624	S	S	*	*			trans	-156.4	68.3	153.3	-110.9	-68.6	0	0	0	112.1	P25 S29	P25-F27 PolarHBondContact O-N 3.32Å; F27-S29 PolarHBondContact O-N 2.92Å
28	S	26.1	Very low	42.2	Very low	102 Å²	102	105.5 Å²	105.5	71%	0.713	59%	0.587	S	S	*	*			trans	-82.6	91.1	164.1	51.6	0	0	0	0	109.8	Q30	S28-Q30 VanDerWaalsContact C-N 3.33Å; S28-Q30 PolarHBondContact O-N 3.23Å
29	S	27.8	Very low	45	Very low	95 Å²	95	106 Å²	106	66%	0.664	58%	0.579	S	S	*	*			trans	-67.1	87.8	173.9	42.5	0	0	0	0	110.8	F27 T31	F27-S29 PolarHBondContact O-N 2.92Å; S29-T31 VanDerWaalsContact C-N 3.34Å; S29-T31 PolarHBondContact O-N 3.01Å
30	Q	28.6	Very low	47.9	Very low	157 Å²	157	100.4 Å²	100.4	73%	0.734	56%	0.561	S	S	*	*			trans	-65.5	96.7	165.9	-69	-168.3	-1.3	0	0	108.9	S28 T32	S28-Q30 VanDerWaalsContact C-N 3.33Å; S28-Q30 PolarHBondContact O-N 3.23Å; Q30-T32 HydrophobicContact CB-CG2 4.13Å; Q30-T32 PolarHBondContact O-N 2.89Å
31	T	31.2	Very low	50.6	Low	105 Å²	105	95 Å²	95	64%	0.644	55%	0.552	S	S	*	*			trans	-64.6	82	166	39.2	0	0	0	0	108.8	S29 N33	S29-T31 VanDerWaalsContact C-N 3.34Å; S29-T31 PolarHBondContact O-N 3.01Å; T31-N33 PolarHBondContact O-N 3.38Å
32	T	38.4	Very low	53.5	Low	71 Å²	71	92.5 Å²	92.5	44%	0.436	53%	0.526	S	S	.	.			trans	-74.4	91.9	-177.5	41.1	0	0	0	0	108.8	Q30 W34	Q30-T32 HydrophobicContact CB-CG2 4.13Å; Q30-T32 PolarHBondContact O-N 2.89Å; T32-W34 HydrophobicContact CG2-CZ2 4.17Å; T32-W34 PolarHBondContact O-N 3.21Å; T32-W34 PolarHBondContact OG1-NE1 2.92Å
33	N	49.8	Very low	56.5	Low	73 Å²	73	90.3 Å²	90.3	39%	0.39	51%	0.507	S	S	.	.			trans	-73.5	70.9	-176.6	-169.2	-21.9	0	0	0	110.9	T31 T35	T31-N33 PolarHBondContact O-N 3.38Å; N33-T35 PolarHBondContact O-N 3.33Å
34	W	59.9	Low	59.4	Low	84 Å²	84	82.9 Å²	82.9	32%	0.318	47%	0.467	S	S	.	.			trans	-75.3	60	-174.1	-57.9	106	0	0	0	113.5	T32 L119 I367 Q368 N371	T32-W34 HydrophobicContact CG2-CZ2 4.17Å; T32-W34 PolarHBondContact O-N 3.21Å; T32-W34 PolarHBondContact OG1-NE1 2.92Å; W34-L119 HydrophobicContact CB-CD2 3.4Å; W34-L119 VanDerWaalsContact CB-CD2 3.4Å; W34-L119 HydrophobicContact CG-CD2 4.19Å; W34-L119 WeakPolarHBondContact O-CD2 3.25Å; W34-I367 HydrophobicContact CD2-CG2 4.02Å; W34-I367 HydrophobicContact CE3-CG2 4.46Å; W34-I367 HydrophobicContact CG-CG2 4.07Å; W34-Q368 VanDerWaalsContact CH2-OE1 3.31Å; W34-N371 HydrophobicContact CE3-CB 4.27Å; W34-N371 HydrophobicContact CZ3-CB 4.34Å
35	T	76.7	Confident	62.3	Low	37 Å²	37	77.1 Å²	77.1	23%	0.227	44%	0.436	C	S	.	.			trans	-70.6	135.5	165.1	36.7	0	0	0	0	110.4	N33 L37 F43 I160	N33-T35 PolarHBondContact O-N 3.33Å; T35-L37 VanDerWaalsContact C-N 3.25Å; T35-L37 PolarHBondContact O-N 3.41Å; T35-F43 HydrophobicContact CG2-CE2 4.19Å; T35-I160 HydrophobicContact CG2-CD1 4.46Å
36	L	88.2	Confident	65.3	Low	0 Å²	0	72 Å²	72	0%	0	40%	0.401	C	S	.	.			trans	-70	78	177.6	-63.2	178.3	0	0	0	112.3	F43 H44 F116 L119 V121 L333 I370 V374	L36-F43 WeakPolarHBondContact O-CA 3.15Å; L36-H44 HydrophobicContact CB-CB 3.81Å; L36-H44 HydrophobicContact CD1-CB 4.39Å; L36-H44 PolarHBondContact O-CD2 3.45Å; L36-H44 PolarHBondContact O-N 2.6Å; L36-F116 HydrophobicContact CD1-CD1 3.99Å; L36-L119 HydrophobicContact CD1-CB 4.01Å; L36-L119 HydrophobicContact CD2-CB 3.69Å; L36-L119 HydrophobicContact CD2-CD1 3.68Å; L36-L119 HydrophobicContact CD2-CG 4.28Å; L36-L119 HydrophobicContact CG-CB 3.54Å; L36-L119 HydrophobicContact CG-CD1 4.43Å; L36-L119 WeakPolarHBondContact CG-O 3.31Å; L36-L119 PolarHBondContact N-O 2.96Å; L36-V121 HydrophobicContact CD1-CG2 3.86Å; L36-L333 HydrophobicContact CD1-CD1 3.92Å; L36-I370 HydrophobicContact CD2-CG2 3.64Å; L36-V374 HydrophobicContact CD2-CG2 4.41Å
37	L	90.1	Very high	68.5	Low	76 Å²	76	66.5 Å²	66.5	40%	0.398	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-102.1	132.8	173.9	-68.1	167.5	0	0	0	110.2	T35 R42 F43	T35-L37 VanDerWaalsContact C-N 3.25Å; T35-L37 PolarHBondContact O-N 3.41Å; L37-R42 WeakPolarHBondContact CA-O 3.4Å; L37-F43 HydrophobicContact CD2-CB 3.93Å
38	D	89.9	Confident	71.7	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.053	33%	0.331	C	S	.	.			trans	-88.9	176.8	170.3	78	-4.2	0	0	0	112.9	F40 G41 R42 H44 V374 K377	D38-F40 PolarHBondContact O-N 2.83Å; D38-F40 WeakPolarHBondContact OD1-CA 3.38Å; D38-F40 WeakPolarHBondContact OD1-CB 3.24Å; D38-F40 PolarHBondContact OD1-N 3.28Å; D38-G41 PolarHBondContact O-N 2.92Å; D38-G41 PolarHBondContact OD1-N 3.46Å; D38-G41 VanDerWaalsContact OD1-N 3.17Å; D38-R42 PolarHBondContact N-O 3.44Å; D38-R42 WeakPolarHBondContact OD1-CB 3.45Å; D38-R42 PolarHBondContact OD1-N 3.32Å; D38-R42 IonicContact OD1-NE 3.52Å; D38-R42 IonicContact OD2-CZ 2.7Å; D38-R42 IonicContact OD2-NE 3.51Å; D38-R42 PolarHBondContact OD2-NE 2.85Å; D38-R42 IonicContact OD2-NH2 3.58Å; D38-R42 PolarHBondContact OD2-NH2 3.49Å; D38-H44 IonicContact OD2-NE2 3.57Å; D38-V374 HydrophobicContact CB-CG1 4.02Å; D38-V374 WeakPolarHBondContact CB-O 3.45Å; D38-K377 HydrophobicContact CB-CB 4.21Å; D38-K377 HydrophobicContact CB-CD 4.47Å; D38-K377 WeakPolarHBondContact OD2-CD 3.27Å
39	S	88.7	Confident	75	Confident	84 Å²	84	53.6 Å²	53.6	59%	0.587	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	4.6	178.3	-54.6	0	0	0	0	114.7	K375	S39-K375 PolarHBondContact OG-O 2.88Å
40	F	88.2	Confident	77.9	Confident	106 Å²	106	49.3 Å²	49.3	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	10.2	175.9	-57.7	-78.7	0	0	0	112.1	D38 R42 K377 K379	D38-F40 PolarHBondContact O-N 2.83Å; D38-F40 WeakPolarHBondContact OD1-CA 3.38Å; D38-F40 WeakPolarHBondContact OD1-CB 3.24Å; D38-F40 PolarHBondContact OD1-N 3.28Å; F40-R42 VanDerWaalsContact C-N 3.28Å; F40-R42 PolarHBondContact O-N 3.02Å; F40-K377 WeakPolarHBondContact CD2-O 3.25Å; F40-K377 VanDerWaalsContact CE2-O 3.24Å; F40-K377 WeakPolarHBondContact CE2-O 3.38Å; F40-K379 HydrophobicContact CD1-CB 3.95Å; F40-K379 HydrophobicContact CD1-CD 4.44Å; F40-K379 HydrophobicContact CD1-CG 4.02Å; F40-K379 HydrophobicContact CD2-CB 4.35Å; F40-K379 HydrophobicContact CE1-CB 3.7Å; F40-K379 HydrophobicContact CE1-CG 4.2Å; F40-K379 HydrophobicContact CE2-CB 4.13Å; F40-K379 VanDerWaalsContact CE2-N 3.28Å; F40-K379 HydrophobicContact CG-CB 4.28Å; F40-K379 HydrophobicContact CG-CG 4.38Å; F40-K379 HydrophobicContact CZ-CB 3.8Å
41	G	86.8	Confident	80.9	Confident	58 Å²	58	41.9 Å²	41.9	60%	0.598	23%	0.233	S	C	*	.			trans	74.5	12.2	179.2	0	0	0	0	0	114.4	D38	D38-G41 PolarHBondContact O-N 2.92Å; D38-G41 PolarHBondContact OD1-N 3.46Å; D38-G41 VanDerWaalsContact OD1-N 3.17Å
42	R	87.2	Confident	83.4	Confident	22 Å²	22	37 Å²	37	8%	0.083	20%	0.203	C	C	.	.			trans	-79.6	126.5	178.4	-61.7	179.6	-66.3	-156.8	-12	109.7	L37 D38 F40 H44 C327 E328 K377 K378 K379	L37-R42 WeakPolarHBondContact CA-O 3.4Å; D38-R42 PolarHBondContact N-O 3.44Å; D38-R42 WeakPolarHBondContact OD1-CB 3.45Å; D38-R42 PolarHBondContact OD1-N 3.32Å; D38-R42 IonicContact OD1-NE 3.52Å; D38-R42 IonicContact OD2-CZ 2.7Å; D38-R42 IonicContact OD2-NE 3.51Å; D38-R42 PolarHBondContact OD2-NE 2.85Å; D38-R42 IonicContact OD2-NH2 3.58Å; D38-R42 PolarHBondContact OD2-NH2 3.49Å; F40-R42 VanDerWaalsContact C-N 3.28Å; F40-R42 PolarHBondContact O-N 3.02Å; R42-H44 PolarHBondContact O-CD2 3.05Å; R42-H44 PolarHBondContact O-NE2 3.18Å; R42-C327 PolarHBondContact NH1-O 3.49Å; R42-E328 WeakPolarHBondContact CD-O 3.3Å; R42-K377 PolarHBondContact NH2-O 2.87Å; R42-K378 PolarHBondContact NH2-O 3.45Å; R42-K379 PolarHBondContact NH1-O 3.02Å
43	F	89.7	Confident	85.2	Confident	77 Å²	77	35.5 Å²	35.5	34%	0.338	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-87.9	125.4	176.3	176.8	-126.3	0	0	0	112	T35 L36 L37 N45 G120 S331	T35-F43 HydrophobicContact CG2-CE2 4.19Å; L36-F43 WeakPolarHBondContact O-CA 3.15Å; L37-F43 HydrophobicContact CD2-CB 3.93Å; F43-N45 HydrophobicContact CD1-CB 4.11Å; F43-N45 HydrophobicContact CE1-CB 3.76Å; F43-N45 HydrophobicContact CZ-CB 4.34Å; F43-N45 PolarHBondContact O-N 3.34Å; F43-G120 WeakPolarHBondContact CZ-O 3.25Å; F43-S331 VanDerWaalsContact O-CB 3.25Å; F43-S331 WeakPolarHBondContact O-CB 3.23Å
44	H	90.8	Very high	86.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.			trans	-95.4	70.5	-171	-68.8	-61.5	0	0	0	114	L36 D38 R42 Y46 V121 C330 S331 L333 V374 K377	L36-H44 HydrophobicContact CB-CB 3.81Å; L36-H44 HydrophobicContact CD1-CB 4.39Å; L36-H44 PolarHBondContact O-CD2 3.45Å; L36-H44 PolarHBondContact O-N 2.6Å; D38-H44 IonicContact OD2-NE2 3.57Å; R42-H44 PolarHBondContact O-CD2 3.05Å; R42-H44 PolarHBondContact O-NE2 3.18Å; H44-Y46 VanDerWaalsContact C-N 3.29Å; H44-Y46 PolarHBondContact O-N 3.23Å; H44-V121 VanDerWaalsContact O-CG2 3.3Å; H44-V121 WeakPolarHBondContact O-CG2 3.28Å; H44-C330 PolarHBondContact CE1-O 3.06Å; H44-C330 VanDerWaalsContact CE1-O 3.3Å; H44-S331 VanDerWaalsContact CA-O 3.24Å; H44-S331 WeakPolarHBondContact CA-O 3.45Å; H44-S331 WeakPolarHBondContact CB-O 3.43Å; H44-S331 WeakPolarHBondContact ND1-CA 3.46Å; H44-S331 PolarHBondContact ND1-O 3.28Å; H44-L333 HydrophobicContact CB-CD1 3.78Å; H44-L333 HydrophobicContact CB-CD2 4.37Å; H44-L333 HydrophobicContact CB-CG 3.9Å; H44-V374 VanDerWaalsContact CD2-CG1 3.46Å; H44-V374 WeakPolarHBondContact CD2-CG1 3.32Å; H44-K377 WeakPolarHBondContact CE1-CD 3.48Å; H44-K377 WeakPolarHBondContact CE1-CE 3.44Å; H44-K377 PolarHBondContact CE1-NZ 2.88Å; H44-K377 WeakPolarHBondContact NE2-CD 3.39Å
45	N	90.8	Very high	87	Confident	27 Å²	27	31.3 Å²	31.3	14%	0.144	18%	0.176	C	C	.	.			trans	-77.8	-0.3	-179	67.3	59	0	0	0	115.8	F43 V121 T122 K123	F43-N45 HydrophobicContact CD1-CB 4.11Å; F43-N45 HydrophobicContact CE1-CB 3.76Å; F43-N45 HydrophobicContact CZ-CB 4.34Å; F43-N45 PolarHBondContact O-N 3.34Å; N45-V121 WeakPolarHBondContact O-CA 3.49Å; N45-T122 PolarHBondContact O-N 2.82Å; N45-K123 PolarHBondContact O-N 2.88Å; N45-K123 WeakPolarHBondContact OD1-CD 3.48Å; N45-K123 VanDerWaalsContact OD1-CE 3.26Å; N45-K123 WeakPolarHBondContact OD1-CE 3.42Å; N45-K123 PolarHBondContact OD1-NZ 2.88Å
46	Y	91.2	Very high	86.9	Confident	17 Å²	17	32 Å²	32	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	110.5	-168.9	-178.7	-172.2	0	0	0	113	H44 K123 R125 S331 R332 L333	H44-Y46 VanDerWaalsContact C-N 3.29Å; H44-Y46 PolarHBondContact O-N 3.23Å; Y46-K123 WeakPolarHBondContact CA-O 3.42Å; Y46-K123 HydrophobicContact CD2-CB 4.02Å; Y46-K123 HydrophobicContact CG-CB 4.15Å; Y46-K123 HydrophobicContact CG-CD 4.36Å; Y46-R125 HydrophobicContact CE2-CB 3.73Å; Y46-R125 VanDerWaalsContact OH-CD 3.26Å; Y46-R125 WeakPolarHBondContact OH-CD 3.45Å; Y46-R125 PolarHBondContact OH-NE 3.05Å; Y46-S331 WeakPolarHBondContact CB-OG 3.24Å; Y46-R332 HydrophobicContact CD1-CG 3.62Å; Y46-R332 HydrophobicContact CE1-CG 3.78Å; Y46-R332 HydrophobicContact CG-CG 4.32Å; Y46-R332 CarbonylContact O-C 3.44Å; Y46-R332 WeakPolarHBondContact O-CA 3.28Å; Y46-L333 PolarHBondContact O-N 3.25Å
47	L	93.8	Very high	85.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.4	173.4	-172.3	68	0	0	0	112.1	I49 T113 F116 V121 K123 V124 R125 L333 L335	L47-I49 HydrophobicContact CD2-CD1 3.94Å; L47-I49 HydrophobicContact CD2-CG1 3.89Å; L47-I49 HydrophobicContact CG-CG1 3.99Å; L47-T113 HydrophobicContact CD2-CG2 4.28Å; L47-F116 HydrophobicContact CD1-CD1 4.05Å; L47-F116 HydrophobicContact CD1-CD2 4.12Å; L47-F116 HydrophobicContact CD1-CE1 4.09Å; L47-F116 HydrophobicContact CD1-CE2 4.2Å; L47-F116 HydrophobicContact CD1-CG 4.08Å; L47-F116 HydrophobicContact CD1-CZ 4.19Å; L47-F116 HydrophobicContact CD2-CB 3.82Å; L47-F116 HydrophobicContact CD2-CD1 4.47Å; L47-F116 HydrophobicContact CD2-CD2 3.63Å; L47-F116 HydrophobicContact CD2-CE2 4.38Å; L47-F116 HydrophobicContact CD2-CG 3.71Å; L47-F116 HydrophobicContact CG-CG 4.44Å; L47-V121 HydrophobicContact CB-CG1 3.76Å; L47-V121 HydrophobicContact CB-CG2 4.41Å; L47-K123 PolarHBondContact N-O 2.97Å; L47-V124 HydrophobicContact CB-CG2 4.43Å; L47-V124 CarbonylContact O-C 3.59Å; L47-V124 WeakPolarHBondContact O-CA 3.5Å; L47-R125 PolarHBondContact O-N 2.95Å; L47-L333 HydrophobicContact CD1-CB 4.09Å; L47-L335 HydrophobicContact CD1-CD1 4.47Å; L47-L335 HydrophobicContact CD1-CG 4.21Å; L47-L335 HydrophobicContact CD2-CD1 4.12Å
48	R	93	Very high	84.4	Confident	24 Å²	24	34.5 Å²	34.5	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125	169.5	-169.7	177.2	-163	141.2	6.5	109.8	H83 R125 T127 L333 R334 L335	R48-H83 PolarHBondContact NH1-CD2 2.92Å; R48-H83 VanDerWaalsContact NH1-CD2 3.28Å; R48-H83 PolarHBondContact NH2-CD2 3.42Å; R48-H83 PolarHBondContact NH2-O 3.5Å; R48-R125 CarbonylContact C-O 3.38Å; R48-R125 WeakPolarHBondContact CA-O 3.24Å; R48-R125 HydrophobicContact CG-CB 4.38Å; R48-R125 HydrophobicContact CG-CG 4.47Å; R48-T127 HydrophobicContact CG-CG2 4.18Å; R48-T127 VanDerWaalsContact NE-CG2 3.31Å; R48-L333 PolarHBondContact N-O 2.94Å; R48-R334 HydrophobicContact CB-CG 4.46Å; R48-R334 CarbonylContact O-C 3.6Å; R48-R334 WeakPolarHBondContact O-CA 3.46Å; R48-L335 PolarHBondContact O-N 3.24Å
49	I	93.6	Very high	82.7	Confident	3 Å²	3	34 Å²	34	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124	-175.2	-49.7	178.6	0	0	0	108.7	L47 I51 I109 T113 V124 R125 L126 T127 L335	L47-I49 HydrophobicContact CD2-CD1 3.94Å; L47-I49 HydrophobicContact CD2-CG1 3.89Å; L47-I49 HydrophobicContact CG-CG1 3.99Å; I49-I51 HydrophobicContact CG2-CG2 4Å; I49-I109 HydrophobicContact CD1-CG2 4.49Å; I49-T113 HydrophobicContact CD1-CG2 4.21Å; I49-T113 WeakPolarHBondContact CD1-OG1 3.24Å; I49-V124 HydrophobicContact CD1-CG1 3.71Å; I49-V124 HydrophobicContact CG1-CG1 4.23Å; I49-R125 PolarHBondContact N-O 2.91Å; I49-L126 HydrophobicContact CB-CD2 4.19Å; I49-L126 HydrophobicContact CD1-CD2 4.23Å; I49-L126 CarbonylContact O-C 3.59Å; I49-T127 WeakPolarHBondContact O-CA 3.36Å; I49-T127 PolarHBondContact O-N 2.99Å; I49-T127 PolarHBondContact O-OG1 2.94Å; I49-L335 HydrophobicContact CG1-CD1 4.43Å; I49-L335 HydrophobicContact CG2-CB 4.31Å
50	S	90.1	Very high	80.5	Confident	5 Å²	5	30.9 Å²	30.9	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.8	159.9	-125	0	0	0	0	107.3	V52 T127 G128 L335 T336 A337	S50-V52 PolarHBondContact OG-O 3.02Å; S50-T127 CarbonylContact C-O 3.58Å; S50-T127 WeakPolarHBondContact CA-O 3.42Å; S50-G128 PolarHBondContact OG-O 2.7Å; S50-L335 PolarHBondContact N-O 2.88Å; S50-T336 CarbonylContact O-C 3.47Å; S50-A337 VanDerWaalsContact O-CA 3.27Å; S50-A337 WeakPolarHBondContact O-CA 3.28Å
51	I	90.2	Very high	78.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-95.9	-8.9	178.1	72.1	176.7	0	0	0	112.8	I49 I109 L126 T127 P131 R134 L137 I140	I49-I51 HydrophobicContact CG2-CG2 4Å; I51-I109 HydrophobicContact CB-CD1 4.08Å; I51-I109 HydrophobicContact CG2-CD1 4.09Å; I51-L126 HydrophobicContact CG2-CD2 3.96Å; I51-T127 PolarHBondContact N-O 2.6Å; I51-P131 HydrophobicContact CD1-CB 3.77Å; I51-P131 HydrophobicContact CG1-CB 4.03Å; I51-R134 HydrophobicContact CD1-CB 4.06Å; I51-R134 HydrophobicContact CD1-CG 4.27Å; I51-R134 HydrophobicContact CG1-CB 4.29Å; I51-R134 WeakPolarHBondContact O-CD 3.49Å; I51-R134 PolarHBondContact O-NH1 2.88Å; I51-L137 HydrophobicContact CD1-CB 4.41Å; I51-L137 HydrophobicContact CD1-CD1 3.62Å; I51-I140 HydrophobicContact CD1-CD1 4.42Å
52	V	84.3	Confident	75.4	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.024	13%	0.13	C	C	.	.			trans	-159.5	163.7	-178.9	67.1	0	0	0	0	108	S50 Q54 M103 G128 G129 E130 R134	S50-V52 PolarHBondContact OG-O 3.02Å; V52-Q54 HydrophobicContact CG2-CB 3.95Å; V52-Q54 HydrophobicContact CG2-CG 4.3Å; V52-M103 HydrophobicContact CG2-SD 4.22Å; V52-G128 CarbonylContact O-C 3.52Å; V52-G128 WeakPolarHBondContact O-CA 3.29Å; V52-G129 PolarHBondContact O-N 3.24Å; V52-G129 VanDerWaalsContact O-N 3.08Å; V52-E130 WeakPolarHBondContact CG1-O 3.37Å; V52-R134 HydrophobicContact CB-CB 4.41Å
53	D	77	Confident	72.5	Confident	38 Å²	38	27.9 Å²	27.9	20%	0.203	15%	0.145	C	C	.	.			trans	-108.2	-35.8	175.9	63.6	-26	0	0	0	112.7	H97 C98 G129	D53-H97 WeakPolarHBondContact OD2-CA 3.44Å; D53-C98 WeakPolarHBondContact OD2-CB 3.34Å; D53-C98 PolarHBondContact OD2-N 3.04Å; D53-G129 VanDerWaalsContact O-CA 3.25Å; D53-G129 WeakPolarHBondContact O-CA 3.37Å; D53-G129 PolarHBondContact O-N 3Å
54	Q	74.3	Confident	69.4	Low	51 Å²	51	29.5 Å²	29.5	24%	0.238	16%	0.161	C	C	.	.			trans	-51.1	144.6	174.9	-64.4	135.3	41.4	0	0	112.9	V52 H97 G129 E130 I133	V52-Q54 HydrophobicContact CG2-CB 3.95Å; V52-Q54 HydrophobicContact CG2-CG 4.3Å; Q54-H97 WeakPolarHBondContact CG-CD2 3.26Å; Q54-G129 CarbonylContact O-C 3.52Å; Q54-G129 WeakPolarHBondContact O-CA 3.33Å; Q54-E130 PolarHBondContact O-N 3.33Å; Q54-I133 HydrophobicContact CB-CD1 4Å; Q54-I133 HydrophobicContact CB-CG2 4.3Å
55	C	72.1	Confident	66.2	Low	19 Å²	19	33.3 Å²	33.3	13%	0.128	19%	0.192	C	C	.	.			trans	-135.2	147	173.1	-168.3	0	0	0	0	110.8
56	N	74.5	Confident	63	Low	51 Å²	51	40.4 Å²	40.4	27%	0.273	22%	0.224	S	C	.	.	S	Bend	trans	-97.4	10.9	179.3	63.4	-5.6	0	0	0	112.9	I133 N171 I174	N56-I133 HydrophobicContact CB-CD1 4.08Å; N56-I133 HydrophobicContact CB-CG1 4.43Å; N56-N171 PolarHBondContact OD1-ND2 2.94Å; N56-I174 WeakPolarHBondContact ND2-CD1 3.15Å
57	L	66.9	Low	59.7	Low	5 Å²	5	50 Å²	50	3%	0.026	26%	0.261	C	S	.	.			trans	-119.2	139.1	169.3	-70	-177.8	0	0	0	109.9	N171 I173 T206 S208	L57-N171 HydrophobicContact CD1-CB 3.78Å; L57-I173 HydrophobicContact CD1-CD1 4.13Å; L57-I173 HydrophobicContact CD2-CD1 3.42Å; L57-I173 VanDerWaalsContact CD2-CD1 3.42Å; L57-I173 HydrophobicContact CG-CD1 3.94Å; L57-T206 HydrophobicContact CD1-CG2 3.97Å; L57-S208 VanDerWaalsContact CD2-CB 3.41Å
58	R	60.1	Low	56.4	Low	123 Å²	123	55 Å²	55	46%	0.464	29%	0.293	S	S	.	.			trans	-109.3	56.4	173.7	-66.7	-163.7	-174.8	-147.3	2.6	110.2	M90 A92 E93 T206 R207	R58-M90 HydrophobicContact CG-CE 4.21Å; R58-A92 PolarHBondContact NH1-O 3.02Å; R58-E93 PolarHBondContact NH1-O 3.12Å; R58-T206 PolarHBondContact N-O 3.42Å; R58-R207 WeakPolarHBondContact O-CD 3.36Å; R58-R207 VanDerWaalsContact O-CG 3.32Å; R58-R207 WeakPolarHBondContact O-CG 3.19Å; R58-R207 PolarHBondContact O-NH1 3.42Å
59	S	52.8	Low	53.1	Low	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.			trans	-48.2	144.1	-176.5	-55.8	0	0	0	0	113.3	F61 V80 M205	S59-F61 PolarHBondContact O-N 3.41Å; S59-V80 VanDerWaalsContact CB-CG2 3.49Å; S59-V80 WeakPolarHBondContact OG-CB 3.41Å; S59-V80 WeakPolarHBondContact OG-CG2 3.47Å; S59-M205 WeakPolarHBondContact CA-O 3.48Å
60	A	43.7	Very low	49.7	Very low	18 Å²	18	71 Å²	71	15%	0.149	37%	0.37	C	S	.	.	S	Bend	trans	-73.9	26.7	-162	0	0	0	0	0	117.8	I78 M205	A60-I78 CarbonylContact C-O 3.6Å; A60-M205 PolarHBondContact N-O 2.82Å
61	F	41.3	Very low	46.6	Very low	4 Å²	4	75.7 Å²	75.7	2%	0.018	40%	0.403	C	S	.	.	S	Bend	trans	-73.8	134.6	160	-76	-54.7	0	0	0	109.5	S59 V79 V80 C89 Y262 F265 N268	S59-F61 PolarHBondContact O-N 3.41Å; F61-V79 HydrophobicContact CE1-CB 4.15Å; F61-V79 HydrophobicContact CE1-CG1 4.31Å; F61-V79 HydrophobicContact CE1-CG2 3.69Å; F61-V79 HydrophobicContact CE2-CB 4.21Å; F61-V79 HydrophobicContact CE2-CG1 3.77Å; F61-V79 HydrophobicContact CZ-CB 3.68Å; F61-V79 HydrophobicContact CZ-CG1 3.39Å; F61-V79 HydrophobicContact CZ-CG2 3.64Å; F61-V80 VanDerWaalsContact CE2-O 3.28Å; F61-V80 WeakPolarHBondContact CE2-O 3.27Å; F61-C89 HydrophobicContact CD2-CB 4.2Å; F61-Y262 HydrophobicContact CE1-CE2 4.35Å; F61-Y262 HydrophobicContact CZ-CE2 4.21Å; F61-F265 HydrophobicContact CD1-CZ 4.18Å; F61-F265 AromaticContact CD2-CZ 3.84Å; F61-F265 HydrophobicContact CD2-CZ 3.84Å; F61-F265 HydrophobicContact CE1-CE1 4.22Å; F61-F265 AromaticContact CE1-CZ 3.93Å; F61-F265 HydrophobicContact CE1-CZ 3.93Å; F61-F265 AromaticContact CE2-CE1 3.81Å; F61-F265 HydrophobicContact CE2-CE1 3.81Å; F61-F265 AromaticContact CE2-CZ 3.51Å; F61-F265 HydrophobicContact CE2-CZ 3.51Å; F61-F265 HydrophobicContact CG-CZ 4.13Å; F61-F265 AromaticContact CZ-CE1 3.58Å; F61-F265 HydrophobicContact CZ-CE1 3.58Å; F61-F265 AromaticContact CZ-CZ 3.53Å; F61-F265 HydrophobicContact CZ-CZ 3.53Å; F61-N268 HydrophobicContact CD1-CB 3.64Å; F61-N268 HydrophobicContact CE1-CB 3.29Å; F61-N268 HydrophobicContact CZ-CB 4.25Å
62	V	27	Very low	43.3	Very low	70 Å²	70	84.2 Å²	84.2	42%	0.424	44%	0.443	S	S	.	.	S	Bend	trans	53.6	79.8	-176.9	-170.1	0	0	0	0	112.9	P91 A92 G267	V62-P91 HydrophobicContact CB-CB 3.67Å; V62-P91 HydrophobicContact CG1-CB 3.74Å; V62-A92 PolarHBondContact O-N 2.84Å; V62-G267 WeakPolarHBondContact CG2-O 3.31Å
63	A	25.6	Very low	40.4	Very low	49 Å²	49	91.2 Å²	91.2	41%	0.405	48%	0.481	S	S	.	.				-166.6	140.1	121.5	0	0	0	0	0	109.2	A65 A92	A63-A65 PolarHBondContact O-N 3.16Å; A63-A92 HydrophobicContact CB-CB 3.55Å
64	V	23.3	Very low	37.8	Very low	111 Å²	111	98.1 Å²	98.1	67%	0.673	51%	0.509	S	S	*	.			trans	-81.5	109.7	166.7	177.3	0	0	0	0	107	H66	V64-H66 PolarHBondContact O-N 2.68Å
65	A	24.5	Very low	35.4	Very low	80 Å²	80	103.5 Å²	103.5	66%	0.661	53%	0.534	S	S	*	.			trans	-80.1	106.5	167.6	0	0	0	0	0	108.3	A63 W67	A63-A65 PolarHBondContact O-N 3.16Å; A65-W67 PolarHBondContact O-N 2.88Å
66	H	22.5	Very low	33.1	Very low	177 Å²	177	106.6 Å²	106.6	82%	0.819	55%	0.549	S	S	*	.			trans	-62.9	127.9	163.9	-86.4	120.8	0	0	0	108.8	V64	V64-H66 PolarHBondContact O-N 2.68Å
67	W	23	Very low	30.8	Very low	218 Å²	218	106 Å²	106	83%	0.826	55%	0.547	S	S	*	.			trans	-131	108.2	168.7	-141.4	-85.3	0	0	0	108.4	A65	A65-W67 PolarHBondContact O-N 2.88Å
68	P	24.6	Very low	28.9	Very low	104 Å²	104	106 Å²	106	68%	0.675	55%	0.547	S	S	*	.	S	Bend	trans	-66.2	148.4	165.6	30.3	-32.7	0	0	0	108.5
69	F	23.1	Very low	27.5	Very low	197 Å²	197	100.1 Å²	100.1	86%	0.864	53%	0.525	S	S	*	.	S	Bend	trans	65.3	73.4	-165.9	-64.9	-97.2	0	0	0	114.6
70	L	22.2	Very low	26.3	Very low	166 Å²	166	100.3 Å²	100.3	87%	0.869	53%	0.526	S	S	*	.	S	Bend		-157.7	171.5	107.9	-102.4	163	0	0	0	109.8
71	S	25.1	Very low	25.9	Very low	104 Å²	104	100.1 Å²	100.1	73%	0.727	52%	0.523	S	S	*	.			trans	-67.5	169.4	-177	55.1	0	0	0	0	113.1
72	E	22.1	Very low	25.5	Very low	180 Å²	180	101.8 Å²	101.8	84%	0.841	53%	0.534	S	S	*	.	S	Bend	trans	-57.1	166.2	179.4	-58.3	176.7	137.4	0	0	113.1
73	D	23	Very low	26	Very low	151 Å²	151	99.7 Å²	99.7	81%	0.807	52%	0.519	S	S	*	.			trans	85.5	8.2	173.4	-68.8	-21.9	0	0	0	122.6
74	F	21.4	Very low	26.4	Very low	182 Å²	182	97.9 Å²	97.9	80%	0.798	50%	0.502	S	S	*	.			trans	-115	84.1	171.5	-90.2	-88.6	0	0	0	116.6	L76	F74-L76 PolarHBondContact O-N 2.88Å
75	H	23.7	Very low	26.7	Very low	165 Å²	165	94.2 Å²	94.2	76%	0.764	48%	0.482	S	S	*	.			trans	-88.5	77	175.5	-82.8	78.2	0	0	0	113.5	T77 K274	H75-T77 PolarHBondContact O-N 2.65Å; H75-K274 PolarHBondContact O-NZ 2.9Å
76	L	24.5	Very low	27	Very low	84 Å²	84	91.8 Å²	91.8	44%	0.44	46%	0.464	S	S	.	.			trans	-85.7	54.4	-170	-149.2	74.3	0	0	0	115.2	F74 I78 F238	F74-L76 PolarHBondContact O-N 2.88Å; L76-I78 HydrophobicContact CD2-CD1 3.69Å; L76-I78 HydrophobicContact CG-CD1 3.73Å; L76-I78 HydrophobicContact CG-CG1 4.11Å; L76-I78 WeakPolarHBondContact O-CG1 3.31Å; L76-I78 PolarHBondContact O-N 3.37Å; L76-F238 HydrophobicContact CD2-CD2 4.44Å
77	T	25.6	Very low	27.2	Very low	39 Å²	39	89.8 Å²	89.8	24%	0.239	46%	0.455	C	S	.	.			trans	-60.6	119	167.5	-29.8	0	0	0	0	110.3	H75 E271 K274	H75-T77 PolarHBondContact O-N 2.65Å; T77-E271 WeakPolarHBondContact CB-OE1 3.47Å; T77-E271 PolarHBondContact OG1-OE1 3.33Å; T77-E271 PolarHBondContact OG1-OE2 3.08Å; T77-K274 VanDerWaalsContact N-NZ 3.16Å; T77-K274 PolarHBondContact O-NZ 2.94Å; T77-K274 VanDerWaalsContact O-NZ 3.15Å; T77-K274 PolarHBondContact OG1-NZ 3.48Å
78	I	27.9	Very low	27.7	Very low	3 Å²	3	86.5 Å²	86.5	2%	0.015	44%	0.444	C	S	.	.			trans	-122.8	153.7	-174.4	-66.4	155.2	0	0	0	111.1	A60 L76 I204 M205 I235 F238	A60-I78 CarbonylContact C-O 3.6Å; L76-I78 HydrophobicContact CD2-CD1 3.69Å; L76-I78 HydrophobicContact CG-CD1 3.73Å; L76-I78 HydrophobicContact CG-CG1 4.11Å; L76-I78 WeakPolarHBondContact O-CG1 3.31Å; L76-I78 PolarHBondContact O-N 3.37Å; I78-I204 HydrophobicContact CD1-CG2 3.54Å; I78-M205 HydrophobicContact CG2-CB 3.65Å; I78-M205 HydrophobicContact CG2-CG 3.63Å; I78-M205 HydrophobicContact CG2-SD 4.34Å; I78-I235 HydrophobicContact CG2-CD1 4.44Å; I78-F238 HydrophobicContact CD1-CD2 3.58Å; I78-F238 HydrophobicContact CD1-CE2 3.28Å; I78-F238 HydrophobicContact CD1-CG 4.33Å; I78-F238 HydrophobicContact CD1-CZ 3.82Å; I78-F238 HydrophobicContact CG1-CD1 4.32Å; I78-F238 HydrophobicContact CG1-CD2 3.7Å; I78-F238 HydrophobicContact CG1-CE1 4.4Å; I78-F238 HydrophobicContact CG1-CE2 3.81Å; I78-F238 HydrophobicContact CG1-CG 3.97Å; I78-F238 HydrophobicContact CG1-CZ 4.15Å; I78-F238 HydrophobicContact CG2-CD1 4.09Å; I78-F238 HydrophobicContact CG2-CE1 3.69Å; I78-F238 HydrophobicContact CG2-CE2 4.36Å; I78-F238 HydrophobicContact CG2-CZ 3.84Å
79	V	30.7	Very low	28.7	Very low	0 Å²	0	82.7 Å²	82.7	0%	0	42%	0.42	C	S	.	.			trans	-125.5	135.4	-156.1	169	0	0	0	0	111.5	F61 V233 I235 Y262	F61-V79 HydrophobicContact CE1-CB 4.15Å; F61-V79 HydrophobicContact CE1-CG1 4.31Å; F61-V79 HydrophobicContact CE1-CG2 3.69Å; F61-V79 HydrophobicContact CE2-CB 4.21Å; F61-V79 HydrophobicContact CE2-CG1 3.77Å; F61-V79 HydrophobicContact CZ-CB 3.68Å; F61-V79 HydrophobicContact CZ-CG1 3.39Å; F61-V79 HydrophobicContact CZ-CG2 3.64Å; V79-V233 HydrophobicContact CG1-CG1 3.88Å; V79-I235 HydrophobicContact CB-CD1 3.65Å; V79-I235 HydrophobicContact CB-CG1 4Å; V79-I235 HydrophobicContact CG2-CD1 4.12Å; V79-I235 HydrophobicContact CG2-CG1 4.13Å; V79-I235 HydrophobicContact CG2-CG2 4.46Å; V79-Y262 HydrophobicContact CB-CD2 4.33Å; V79-Y262 HydrophobicContact CB-CE2 4.25Å; V79-Y262 HydrophobicContact CG1-CD2 3.93Å; V79-Y262 HydrophobicContact CG1-CE2 4.06Å; V79-Y262 HydrophobicContact CG2-CD2 3.63Å; V79-Y262 HydrophobicContact CG2-CE2 3.25Å
80	V	28.1	Very low	29.9	Very low	4 Å²	4	74.2 Å²	74.2	2%	0.024	38%	0.383	C	S	.	.			trans	-145.2	156.4	161.8	-152.8	0	0	0	0	110.7	S59 F61 M205	S59-V80 VanDerWaalsContact CB-CG2 3.49Å; S59-V80 WeakPolarHBondContact OG-CB 3.41Å; S59-V80 WeakPolarHBondContact OG-CG2 3.47Å; F61-V80 VanDerWaalsContact CE2-O 3.28Å; F61-V80 WeakPolarHBondContact CE2-O 3.27Å; V80-M205 HydrophobicContact CG2-CE 4.48Å; V80-M205 HydrophobicContact CG2-CG 3.28Å; V80-M205 HydrophobicContact CG2-SD 4.08Å
81	C	34.9	Very low	31.1	Very low	14 Å²	14	67 Å²	67	10%	0.095	35%	0.346	C	S	.	.			trans	68.4	59.3	161.5	-61.1	0	0	0	0	118.4	H83 F84 C89	C81-H83 PolarHBondContact O-N 3.14Å; C81-H83 VanDerWaalsContact O-N 3.11Å; C81-F84 HydrophobicContact CB-CD2 4.05Å; C81-C89 HydrophobicContact CB-CB 4.36Å
82	V	31.9	Very low	32.1	Very low	40 Å²	40	63.6 Å²	63.6	24%	0.242	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	30.4	157.3	-157.7	0	0	0	0	111.9	M263	V82-M263 HydrophobicContact CG1-SD 4.19Å
83	H	38.5	Very low	33.4	Very low	26 Å²	26	61.4 Å²	61.4	12%	0.12	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-0.9	-168.2	-94.8	137.2	0	0	0	115.6	R48 C81	R48-H83 PolarHBondContact NH1-CD2 2.92Å; R48-H83 VanDerWaalsContact NH1-CD2 3.28Å; R48-H83 PolarHBondContact NH2-CD2 3.42Å; R48-H83 PolarHBondContact NH2-O 3.5Å; C81-H83 PolarHBondContact O-N 3.14Å; C81-H83 VanDerWaalsContact O-N 3.11Å
84	F	34.2	Very low	34.6	Very low	11 Å²	11	55.2 Å²	55.2	5%	0.048	29%	0.286	C	S	.	.	S	Bend	trans	-137.2	139.1	-172.8	-66.7	-55.7	0	0	0	108.4	C81 T127 G128 G129 T169	C81-F84 HydrophobicContact CB-CD2 4.05Å; F84-T127 HydrophobicContact CD1-CG2 4.29Å; F84-T127 HydrophobicContact CE1-CG2 4.11Å; F84-G128 CarbonylContact C-O 3.6Å; F84-G128 VanDerWaalsContact CA-O 3.24Å; F84-G128 WeakPolarHBondContact CA-O 3.36Å; F84-G128 WeakPolarHBondContact CB-O 3.42Å; F84-G128 WeakPolarHBondContact CD1-O 3.43Å; F84-G129 WeakPolarHBondContact CB-O 3.4Å; F84-G129 WeakPolarHBondContact CD1-O 3.41Å; F84-G129 VanDerWaalsContact CD2-O 3.25Å; F84-G129 WeakPolarHBondContact CD2-O 3.35Å; F84-G129 WeakPolarHBondContact CG-O 3.28Å; F84-T169 HydrophobicContact CE1-CG2 4.41Å; F84-T169 WeakPolarHBondContact CE1-O 3.38Å; F84-T169 HydrophobicContact CZ-CG2 4.13Å
85	S	29.2	Very low	36	Very low	34 Å²	34	49 Å²	49	24%	0.238	26%	0.263	C	S	.	.	S	Bend	trans	45	170	-164.6	38.9	0	0	0	0	116.3	Q87 G128 R334	S85-Q87 VanDerWaalsContact CB-O 3.27Å; S85-Q87 WeakPolarHBondContact CB-O 3.29Å; S85-Q87 PolarHBondContact OG-O 3.44Å; S85-G128 PolarHBondContact N-O 2.85Å; S85-G128 VanDerWaalsContact N-O 3.09Å; S85-R334 VanDerWaalsContact CA-NH2 3.31Å; S85-R334 PolarHBondContact O-NH1 3.33Å; S85-R334 PolarHBondContact O-NH2 3.29Å
86	G	30.2	Very low	37.3	Very low	29 Å²	29	47.3 Å²	47.3	30%	0.299	27%	0.267	S	S	.	.	S	Bend	trans	-99.7	11.2	174.1	0	0	0	0	0	113.2
87	Q	27.9	Very low	39.1	Very low	134 Å²	134	47.9 Å²	47.9	63%	0.626	27%	0.267	S	S	*	.	S	Bend	trans	-155.9	139.1	-173.6	-83.5	173.6	-15.3	0	0	106.2	S85	S85-Q87 VanDerWaalsContact CB-O 3.27Å; S85-Q87 WeakPolarHBondContact CB-O 3.29Å; S85-Q87 PolarHBondContact OG-O 3.44Å
88	Y	33.3	Very low	40.6	Very low	149 Å²	149	48 Å²	48	58%	0.584	27%	0.269	S	S	*	.			trans	35.4	116.5	166.4	-43.1	-64.7	0	0	0	118.7
89	C	45.5	Very low	42.4	Very low	25 Å²	25	50.2 Å²	50.2	17%	0.169	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-66.8	142.4	144.5	-160.1	0	0	0	0	107.5	F61 C81	F61-C89 HydrophobicContact CD2-CB 4.2Å; C81-C89 HydrophobicContact CB-CB 4.36Å
90	M	47.1	Very low	44.2	Very low	18 Å²	18	55.2 Å²	55.2	9%	0.089	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.5	133.2	-166.7	-64.3	-148.5	-67.9	0	0	112.4	R58 V95	R58-M90 HydrophobicContact CG-CE 4.21Å; M90-V95 HydrophobicContact CG-CG2 3.87Å; M90-V95 HydrophobicContact SD-CG2 4.1Å
91	P	47.7	Very low	46.4	Very low	15 Å²	15	59.8 Å²	59.8	10%	0.097	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-64.6	172.4	168	33.7	-37.4	0	0	0	110.1	V62 E93 G94 V95	V62-P91 HydrophobicContact CB-CB 3.67Å; V62-P91 HydrophobicContact CG1-CB 3.74Å; P91-E93 PolarHBondContact O-N 3.21Å; P91-G94 VanDerWaalsContact CG-O 3.24Å; P91-G94 WeakPolarHBondContact CG-O 3.49Å; P91-G94 PolarHBondContact O-N 2.6Å; P91-V95 HydrophobicContact CG-CG1 4.18Å
92	A	46.7	Very low	48.4	Very low	33 Å²	33	64.5 Å²	64.5	27%	0.273	36%	0.362	S	S	.	.	S	Bend	trans	-57.5	-39.9	179.4	0	0	0	0	0	112.2	R58 V62 A63 G94	R58-A92 PolarHBondContact NH1-O 3.02Å; V62-A92 PolarHBondContact O-N 2.84Å; A63-A92 HydrophobicContact CB-CB 3.55Å; A92-G94 VanDerWaalsContact C-N 3.27Å; A92-G94 PolarHBondContact O-N 3.1Å
93	E	49.7	Very low	50.8	Low	133 Å²	133	64 Å²	64	62%	0.621	36%	0.358	S	S	*	.	S	Bend	trans	-58.9	-35.5	174.2	-46.3	84.4	-94.1	0	0	112.3	R58 P91	R58-E93 PolarHBondContact NH1-O 3.12Å; P91-E93 PolarHBondContact O-N 3.21Å
94	G	47	Very low	53.3	Low	21 Å²	21	63 Å²	63	22%	0.216	35%	0.354	C	S	.	.			trans	94.6	174.2	-165.3	0	0	0	0	0	112.7	P91 A92	P91-G94 VanDerWaalsContact CG-O 3.24Å; P91-G94 WeakPolarHBondContact CG-O 3.49Å; P91-G94 PolarHBondContact O-N 2.6Å; A92-G94 VanDerWaalsContact C-N 3.27Å; A92-G94 PolarHBondContact O-N 3.1Å
95	V	52.6	Low	56.1	Low	52 Å²	52	64.5 Å²	64.5	32%	0.315	37%	0.366	S	S	.	.			trans	-126	145.2	171.5	-84.4	0	0	0	0	110.2	M90 P91 H97	M90-V95 HydrophobicContact CG-CG2 3.87Å; M90-V95 HydrophobicContact SD-CG2 4.1Å; P91-V95 HydrophobicContact CG-CG1 4.18Å; V95-H97 PolarHBondContact O-CE1 2.87Å; V95-H97 PolarHBondContact O-N 3.17Å; V95-H97 PolarHBondContact O-ND1 2.79Å
96	P	50.1	Low	59.1	Low	130 Å²	130	65.3 Å²	65.3	84%	0.844	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-51.9	126.4	174.1	-26.4	34.9	0	0	0	111.2
97	H	62	Low	62.1	Low	96 Å²	96	68.2 Å²	68.2	44%	0.444	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-80.9	150.5	179.4	-63.3	-8.9	0	0	0	110.9	D53 Q54 V95 S99	D53-H97 WeakPolarHBondContact OD2-CA 3.44Å; Q54-H97 WeakPolarHBondContact CG-CD2 3.26Å; V95-H97 PolarHBondContact O-CE1 2.87Å; V95-H97 PolarHBondContact O-N 3.17Å; V95-H97 PolarHBondContact O-ND1 2.79Å; H97-S99 PolarHBondContact O-N 3.3Å
98	C	58.3	Low	65.3	Low	42 Å²	42	63.7 Å²	63.7	28%	0.284	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.1	131.1	171.6	-155.6	0	0	0	0	109.3	D53 K102	D53-C98 WeakPolarHBondContact OD2-CB 3.34Å; D53-C98 PolarHBondContact OD2-N 3.04Å; C98-K102 VanDerWaalsContact SG-CB 3.52Å
99	S	64.3	Low	68.3	Low	49 Å²	49	57 Å²	57	34%	0.343	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-64.9	146	-179.3	59.4	0	0	0	0	110.7	H97 D101 K102	H97-S99 PolarHBondContact O-N 3.3Å; S99-D101 VanDerWaalsContact C-OD1 3.26Å; S99-D101 WeakPolarHBondContact CB-OD1 3.39Å; S99-D101 PolarHBondContact O-N 2.87Å; S99-D101 VanDerWaalsContact O-N 3.13Å; S99-D101 PolarHBondContact OG-OD1 2.83Å; S99-K102 WeakPolarHBondContact O-CB 3.45Å; S99-K102 PolarHBondContact O-N 2.94Å; S99-K102 WeakPolarHBondContact OG-CD 3.34Å
100	S	68.1	Low	70.6	Confident	104 Å²	104	56 Å²	56	73%	0.727	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.6	-166.6	50.4	0	0	0	0	114.5	K102	S100-K102 VanDerWaalsContact C-N 3.35Å
101	D	74.1	Confident	72.8	Confident	100 Å²	100	58.4 Å²	58.4	54%	0.535	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.7	170.6	60.4	-59.7	0	0	0	113.1	S99 R358	S99-D101 VanDerWaalsContact C-OD1 3.26Å; S99-D101 WeakPolarHBondContact CB-OD1 3.39Å; S99-D101 PolarHBondContact O-N 2.87Å; S99-D101 VanDerWaalsContact O-N 3.13Å; S99-D101 PolarHBondContact OG-OD1 2.83Å; D101-R358 PolarHBondContact O-NH1 2.83Å
102	K	77.6	Confident	75.1	Confident	114 Å²	114	57.9 Å²	57.9	50%	0.496	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.8	-179	-66.8	176.9	-174.1	168.8	0	113.2	C98 S99 S100 D338	C98-K102 VanDerWaalsContact SG-CB 3.52Å; S99-K102 WeakPolarHBondContact O-CB 3.45Å; S99-K102 PolarHBondContact O-N 2.94Å; S99-K102 WeakPolarHBondContact OG-CD 3.34Å; S100-K102 VanDerWaalsContact C-N 3.35Å; K102-D338 WeakPolarHBondContact O-CA 3.48Å
103	M	83.1	Confident	77.4	Confident	29 Å²	29	56.3 Å²	56.3	14%	0.143	31%	0.311	C	S	.	.	S	Bend	trans	-70.1	147.7	173.8	-73.7	-168.6	-78.9	0	0	111.4	V52 A337 R358	V52-M103 HydrophobicContact CG2-SD 4.22Å; M103-A337 WeakPolarHBondContact CA-O 3.24Å; M103-A337 HydrophobicContact CG-CB 4.45Å; M103-R358 PolarHBondContact O-NH2 2.8Å
104	A	89.7	Confident	79.4	Confident	6 Å²	6	50.8 Å²	50.8	5%	0.05	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-70.7	129.8	172.8	0	0	0	0	0	111.3	E108 I109 R134 A337 L354	A104-E108 HydrophobicContact CB-CB 4.2Å; A104-I109 HydrophobicContact CB-CD1 4.38Å; A104-I109 HydrophobicContact CB-CG1 3.74Å; A104-R134 PolarHBondContact O-NH1 3.49Å; A104-R134 PolarHBondContact O-NH2 2.82Å; A104-A337 PolarHBondContact N-O 2.92Å; A104-L354 HydrophobicContact CB-CD1 4.2Å; A104-L354 HydrophobicContact CB-CD2 4.05Å
105	S	92.8	Very high	81.6	Confident	42 Å²	42	49.8 Å²	49.8	29%	0.294	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62.3	167.2	168.1	61.4	0	0	0	0	111.9	E107 E108 I109	S105-E107 PolarHBondContact O-N 2.86Å; S105-E108 VanDerWaalsContact CB-OE2 3.28Å; S105-E108 WeakPolarHBondContact CB-OE2 3.46Å; S105-E108 PolarHBondContact N-OE2 3.46Å; S105-E108 PolarHBondContact O-N 2.91Å; S105-E108 WeakPolarHBondContact OG-CB 3.45Å; S105-E108 VanDerWaalsContact OG-CD 3.22Å; S105-E108 WeakPolarHBondContact OG-CG 3.37Å; S105-E108 PolarHBondContact OG-N 3.15Å; S105-E108 VanDerWaalsContact OG-N 3.13Å; S105-E108 PolarHBondContact OG-OE2 3.5Å; S105-I109 WeakPolarHBondContact O-CB 3.34Å; S105-I109 VanDerWaalsContact O-CG1 3.31Å; S105-I109 WeakPolarHBondContact O-CG1 3.23Å; S105-I109 PolarHBondContact O-N 2.9Å
106	K	92.9	Very high	83.6	Confident	51 Å²	51	47.3 Å²	47.3	22%	0.222	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-31.8	176.6	60.5	-169.3	-175.7	-173.4	0	111.9	V110 D136 D139 I140	K106-V110 WeakPolarHBondContact O-CB 3.31Å; K106-V110 WeakPolarHBondContact O-CG2 3.41Å; K106-V110 PolarHBondContact O-N 3.16Å; K106-V110 VanDerWaalsContact O-N 3.11Å; K106-D136 WeakPolarHBondContact CB-OD2 3.39Å; K106-D136 HydrophobicContact CD-CB 3.99Å; K106-D139 HydrophobicContact CD-CB 4.01Å; K106-D139 IonicContact NZ-OD2 3.89Å; K106-D139 PolarHBondContact NZ-OD2 3.37Å; K106-I140 HydrophobicContact CB-CD1 4.12Å; K106-I140 HydrophobicContact CB-CG1 3.47Å; K106-I140 VanDerWaalsContact CB-CG1 3.47Å
107	E	94.3	Very high	85.6	Confident	89 Å²	89	41.1 Å²	41.1	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-52.2	171.3	-70.9	61.2	-136.1	0	0	110.9	S105 I109 V110 H111 K143	S105-E107 PolarHBondContact O-N 2.86Å; E107-I109 PolarHBondContact O-N 2.99Å; E107-V110 PolarHBondContact O-N 2.9Å; E107-H111 WeakPolarHBondContact O-CB 3.45Å; E107-H111 PolarHBondContact O-N 3.26Å; E107-K143 IonicContact OE1-NZ 3.53Å; E107-K143 PolarHBondContact OE1-NZ 3.32Å
108	E	94.9	Very high	86.8	Confident	40 Å²	40	40.6 Å²	40.6	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-37	179.4	-70	162.3	129.8	0	0	112.9	A104 S105 H111 L112 L354 R358	A104-E108 HydrophobicContact CB-CB 4.2Å; S105-E108 VanDerWaalsContact CB-OE2 3.28Å; S105-E108 WeakPolarHBondContact CB-OE2 3.46Å; S105-E108 PolarHBondContact N-OE2 3.46Å; S105-E108 PolarHBondContact O-N 2.91Å; S105-E108 WeakPolarHBondContact OG-CB 3.45Å; S105-E108 VanDerWaalsContact OG-CD 3.22Å; S105-E108 WeakPolarHBondContact OG-CG 3.37Å; S105-E108 PolarHBondContact OG-N 3.15Å; S105-E108 VanDerWaalsContact OG-N 3.13Å; S105-E108 PolarHBondContact OG-OE2 3.5Å; E108-H111 PolarHBondContact O-N 2.84Å; E108-L112 WeakPolarHBondContact O-CB 3.29Å; E108-L112 WeakPolarHBondContact O-CG 3.44Å; E108-L112 PolarHBondContact O-N 2.93Å; E108-L354 HydrophobicContact CB-CD1 3.8Å; E108-L354 HydrophobicContact CG-CD1 3.95Å; E108-L354 WeakPolarHBondContact OE1-CD1 3.36Å; E108-R358 IonicContact OE1-CZ 3.69Å; E108-R358 VanDerWaalsContact OE1-CZ 3.26Å; E108-R358 IonicContact OE1-NE 2.59Å; E108-R358 PolarHBondContact OE1-NE 2.82Å; E108-R358 IonicContact OE1-NH2 2.77Å; E108-R358 PolarHBondContact OE1-NH2 3.47Å; E108-R358 IonicContact OE2-CZ 2.74Å; E108-R358 IonicContact OE2-NH2 3.76Å; E108-R358 PolarHBondContact OE2-NH2 3.49Å
109	I	94.9	Very high	88.3	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-46.2	173	-73.7	168.7	0	0	0	110.5	I49 I51 A104 S105 E107 T113 I140	I49-I109 HydrophobicContact CD1-CG2 4.49Å; I51-I109 HydrophobicContact CB-CD1 4.08Å; I51-I109 HydrophobicContact CG2-CD1 4.09Å; A104-I109 HydrophobicContact CB-CD1 4.38Å; A104-I109 HydrophobicContact CB-CG1 3.74Å; S105-I109 WeakPolarHBondContact O-CB 3.34Å; S105-I109 VanDerWaalsContact O-CG1 3.31Å; S105-I109 WeakPolarHBondContact O-CG1 3.23Å; S105-I109 PolarHBondContact O-N 2.9Å; E107-I109 PolarHBondContact O-N 2.99Å; I109-T113 VanDerWaalsContact O-CB 3.29Å; I109-T113 WeakPolarHBondContact O-CB 3.45Å; I109-T113 PolarHBondContact O-N 2.93Å; I109-T113 PolarHBondContact O-OG1 3.11Å; I109-I140 HydrophobicContact CD1-CD1 4.03Å; I109-I140 HydrophobicContact CG2-CG2 4.03Å
110	V	94.4	Very high	89.5	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-70.8	-37.4	-178.6	175.3	0	0	0	0	110.9	K106 E107 T113 S114 K143 L144	K106-V110 WeakPolarHBondContact O-CB 3.31Å; K106-V110 WeakPolarHBondContact O-CG2 3.41Å; K106-V110 PolarHBondContact O-N 3.16Å; K106-V110 VanDerWaalsContact O-N 3.11Å; E107-V110 PolarHBondContact O-N 2.9Å; V110-T113 PolarHBondContact O-N 3.37Å; V110-S114 WeakPolarHBondContact O-CB 3.39Å; V110-S114 PolarHBondContact O-N 3.39Å; V110-K143 HydrophobicContact CG1-CB 4.41Å; V110-K143 HydrophobicContact CG2-CB 3.64Å; V110-K143 HydrophobicContact CG2-CD 4.35Å; V110-L144 HydrophobicContact CB-CD2 4.41Å; V110-L144 HydrophobicContact CG1-CD2 4.49Å; V110-L144 HydrophobicContact CG2-CD2 3.95Å; V110-L144 HydrophobicContact CG2-CG 4.1Å
111	H	94.1	Very high	90.6	Very high	70 Å²	70	31.5 Å²	31.5	32%	0.324	16%	0.155	S	C	.	.	H	α-helix	trans	-64	-54.3	174.9	-169	-178.1	0	0	0	111.9	E107 E108 T113 S114 L115 E363	E107-H111 WeakPolarHBondContact O-CB 3.45Å; E107-H111 PolarHBondContact O-N 3.26Å; E108-H111 PolarHBondContact O-N 2.84Å; H111-T113 PolarHBondContact O-N 3.46Å; H111-S114 WeakPolarHBondContact O-CB 3.24Å; H111-S114 PolarHBondContact O-N 3.09Å; H111-S114 PolarHBondContact O-OG 2.99Å; H111-L115 PolarHBondContact O-N 3.45Å; H111-E363 IonicContact CD2-OE1 3.83Å; H111-E363 IonicContact CE1-OE1 3.3Å; H111-E363 IonicContact NE2-OE1 3.9Å; H111-E363 PolarHBondContact NE2-OE1 3.38Å
112	L	94.9	Very high	91.4	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-55.2	-42.1	174.8	-77.8	168.7	0	0	0	111.2	E108 S114 L115 F116 L335 L353 L354 L357	E108-L112 WeakPolarHBondContact O-CB 3.29Å; E108-L112 WeakPolarHBondContact O-CG 3.44Å; E108-L112 PolarHBondContact O-N 2.93Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 3.23Å; L112-L115 WeakPolarHBondContact O-CB 3.44Å; L112-L115 PolarHBondContact O-N 3.38Å; L112-F116 VanDerWaalsContact O-CD2 3.24Å; L112-F116 WeakPolarHBondContact O-CD2 3.41Å; L112-F116 PolarHBondContact O-N 3.15Å; L112-L335 HydrophobicContact CB-CD1 4.25Å; L112-L353 HydrophobicContact CD2-CB 3.67Å; L112-L353 HydrophobicContact CD2-CD1 4.3Å; L112-L354 HydrophobicContact CD1-CB 4.44Å; L112-L354 HydrophobicContact CD1-CD1 4.26Å; L112-L357 HydrophobicContact CD2-CD1 3.56Å; L112-L357 HydrophobicContact CG-CD1 3.82Å
113	T	94.9	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-32.8	178	-50.3	0	0	0	0	112.4	L47 I49 I109 V110 H111 L115 F116 V117 V124 L144 L148	L47-T113 HydrophobicContact CD2-CG2 4.28Å; I49-T113 HydrophobicContact CD1-CG2 4.21Å; I49-T113 WeakPolarHBondContact CD1-OG1 3.24Å; I109-T113 VanDerWaalsContact O-CB 3.29Å; I109-T113 WeakPolarHBondContact O-CB 3.45Å; I109-T113 PolarHBondContact O-N 2.93Å; I109-T113 PolarHBondContact O-OG1 3.11Å; V110-T113 PolarHBondContact O-N 3.37Å; H111-T113 PolarHBondContact O-N 3.46Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-L115 PolarHBondContact O-N 2.91Å; T113-F116 PolarHBondContact O-N 3.37Å; T113-V117 HydrophobicContact CG2-CG2 4.37Å; T113-V117 WeakPolarHBondContact O-CG2 3.41Å; T113-V117 PolarHBondContact O-N 2.96Å; T113-V124 HydrophobicContact CG2-CG1 4.42Å; T113-V124 HydrophobicContact CG2-CG2 3.59Å; T113-L144 HydrophobicContact CG2-CD2 3.73Å; T113-L148 HydrophobicContact CG2-CD1 3.64Å
114	S	92.7	Very high	92.6	Very high	17 Å²	17	23.5 Å²	23.5	12%	0.119	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-41.3	175.3	94.5	0	0	0	0	111.1	V110 H111 L112 F116 V117 K118 L148	V110-S114 WeakPolarHBondContact O-CB 3.39Å; V110-S114 PolarHBondContact O-N 3.39Å; H111-S114 WeakPolarHBondContact O-CB 3.24Å; H111-S114 PolarHBondContact O-N 3.09Å; H111-S114 PolarHBondContact O-OG 2.99Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 3.23Å; S114-F116 PolarHBondContact O-N 3Å; S114-V117 PolarHBondContact O-N 2.88Å; S114-K118 WeakPolarHBondContact O-CG 3.41Å; S114-K118 PolarHBondContact O-N 3.39Å; S114-L148 VanDerWaalsContact CB-CD2 3.45Å
115	L	92.8	Very high	92.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.9	-48.1	173.2	-55.5	-177.4	0	0	0	110.9	H111 L112 T113 V117 K118 L119 E363 V366 I367 I370	H111-L115 PolarHBondContact O-N 3.45Å; L112-L115 WeakPolarHBondContact O-CB 3.44Å; L112-L115 PolarHBondContact O-N 3.38Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-L115 PolarHBondContact O-N 2.91Å; L115-V117 VanDerWaalsContact C-N 3.34Å; L115-V117 PolarHBondContact O-N 3.47Å; L115-K118 WeakPolarHBondContact O-CB 3.33Å; L115-K118 PolarHBondContact O-N 3.49Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.18Å; L115-L119 PolarHBondContact O-N 3.44Å; L115-E363 HydrophobicContact CD2-CB 3.86Å; L115-E363 VanDerWaalsContact CD2-CD 3.46Å; L115-E363 HydrophobicContact CD2-CG 3.79Å; L115-E363 WeakPolarHBondContact CD2-OE2 3.35Å; L115-V366 HydrophobicContact CD1-CB 4.02Å; L115-V366 HydrophobicContact CD1-CG1 3.56Å; L115-I367 HydrophobicContact CD2-CD1 4.45Å; L115-I370 HydrophobicContact CB-CD1 4.28Å
116	F	93.8	Very high	92.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-37.8	176.8	-81.7	-73.7	0	0	0	113.3	L36 L47 L112 T113 S114 L119 G120 V121 L333 L335 L341 L353 I370	L36-F116 HydrophobicContact CD1-CD1 3.99Å; L47-F116 HydrophobicContact CD1-CD1 4.05Å; L47-F116 HydrophobicContact CD1-CD2 4.12Å; L47-F116 HydrophobicContact CD1-CE1 4.09Å; L47-F116 HydrophobicContact CD1-CE2 4.2Å; L47-F116 HydrophobicContact CD1-CG 4.08Å; L47-F116 HydrophobicContact CD1-CZ 4.19Å; L47-F116 HydrophobicContact CD2-CB 3.82Å; L47-F116 HydrophobicContact CD2-CD1 4.47Å; L47-F116 HydrophobicContact CD2-CD2 3.63Å; L47-F116 HydrophobicContact CD2-CE2 4.38Å; L47-F116 HydrophobicContact CD2-CG 3.71Å; L47-F116 HydrophobicContact CG-CG 4.44Å; L112-F116 VanDerWaalsContact O-CD2 3.24Å; L112-F116 WeakPolarHBondContact O-CD2 3.41Å; L112-F116 PolarHBondContact O-N 3.15Å; T113-F116 PolarHBondContact O-N 3.37Å; S114-F116 PolarHBondContact O-N 3Å; F116-L119 PolarHBondContact O-N 2.96Å; F116-G120 PolarHBondContact O-N 3.26Å; F116-V121 HydrophobicContact CB-CB 4.2Å; F116-V121 HydrophobicContact CB-CG2 4.01Å; F116-V121 HydrophobicContact CD1-CG2 4.32Å; F116-V121 VanDerWaalsContact O-CB 3.26Å; F116-V121 WeakPolarHBondContact O-CB 3.49Å; F116-V121 WeakPolarHBondContact O-CG2 3.32Å; F116-V121 PolarHBondContact O-N 2.92Å; F116-L333 HydrophobicContact CD1-CD1 4.39Å; F116-L333 HydrophobicContact CE1-CD1 3.97Å; F116-L335 HydrophobicContact CD2-CD1 4.26Å; F116-L335 HydrophobicContact CE2-CD1 3.91Å; F116-L335 HydrophobicContact CE2-CD2 4.05Å; F116-L335 HydrophobicContact CE2-CG 4.15Å; F116-L335 HydrophobicContact CZ-CD2 4.45Å; F116-L341 HydrophobicContact CE1-CD1 4.32Å; F116-L341 HydrophobicContact CZ-CD1 3.94Å; F116-L341 HydrophobicContact CZ-CD2 4.19Å; F116-L353 HydrophobicContact CE2-CD1 3.88Å; F116-L353 HydrophobicContact CZ-CD1 3.88Å; F116-I370 HydrophobicContact CD1-CG2 4.22Å; F116-I370 HydrophobicContact CD2-CD1 4.43Å; F116-I370 HydrophobicContact CE1-CD1 4.17Å; F116-I370 HydrophobicContact CE1-CG1 4.19Å; F116-I370 HydrophobicContact CE1-CG2 3.52Å; F116-I370 HydrophobicContact CE2-CD1 3.97Å; F116-I370 HydrophobicContact CE2-CG1 4.38Å; F116-I370 HydrophobicContact CZ-CD1 3.83Å; F116-I370 HydrophobicContact CZ-CG1 3.81Å; F116-I370 HydrophobicContact CZ-CG2 4Å
117	V	91.8	Very high	92.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.1	-39.4	175.7	174.1	0	0	0	0	111.2	T113 S114 L115 L119 G120 L148 I151 L163	T113-V117 HydrophobicContact CG2-CG2 4.37Å; T113-V117 WeakPolarHBondContact O-CG2 3.41Å; T113-V117 PolarHBondContact O-N 2.96Å; S114-V117 PolarHBondContact O-N 2.88Å; L115-V117 VanDerWaalsContact C-N 3.34Å; L115-V117 PolarHBondContact O-N 3.47Å; V117-L119 PolarHBondContact O-N 3.05Å; V117-G120 PolarHBondContact O-N 2.83Å; V117-L148 HydrophobicContact CG2-CB 4.31Å; V117-L148 HydrophobicContact CG2-CD1 4.14Å; V117-I151 HydrophobicContact CG1-CB 4.31Å; V117-I151 HydrophobicContact CG1-CD1 4.08Å; V117-I151 HydrophobicContact CG1-CG2 4.43Å; V117-L163 HydrophobicContact CG2-CB 4.19Å
118	K	87.9	Confident	91.9	Very high	85 Å²	85	15.1 Å²	15.1	37%	0.37	7%	0.073	S	C	.	.	H	α-helix	trans	-55.8	-30.5	171.7	-73.1	177.4	-175.6	-171.8	0	112.6	S114 L115 I153 E363	S114-K118 WeakPolarHBondContact O-CG 3.41Å; S114-K118 PolarHBondContact O-N 3.39Å; L115-K118 WeakPolarHBondContact O-CB 3.33Å; L115-K118 PolarHBondContact O-N 3.49Å; K118-I153 WeakPolarHBondContact O-CD1 3.25Å; K118-E363 IonicContact NZ-OE1 3.41Å; K118-E363 IonicContact NZ-OE2 3.24Å; K118-E363 PolarHBondContact NZ-OE2 2.75Å
119	L	90	Very high	90.9	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	9.2	-179.9	-50.9	171.1	0	0	0	113.6	W34 L36 L115 F116 V117 I367 I370	W34-L119 HydrophobicContact CB-CD2 3.4Å; W34-L119 VanDerWaalsContact CB-CD2 3.4Å; W34-L119 HydrophobicContact CG-CD2 4.19Å; W34-L119 WeakPolarHBondContact O-CD2 3.25Å; L36-L119 HydrophobicContact CD1-CB 4.01Å; L36-L119 HydrophobicContact CD2-CB 3.69Å; L36-L119 HydrophobicContact CD2-CD1 3.68Å; L36-L119 HydrophobicContact CD2-CG 4.28Å; L36-L119 HydrophobicContact CG-CB 3.54Å; L36-L119 HydrophobicContact CG-CD1 4.43Å; L36-L119 WeakPolarHBondContact CG-O 3.31Å; L36-L119 PolarHBondContact N-O 2.96Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.18Å; L115-L119 PolarHBondContact O-N 3.44Å; F116-L119 PolarHBondContact O-N 2.96Å; V117-L119 PolarHBondContact O-N 3.05Å; L119-I367 HydrophobicContact CD1-CB 4.46Å; L119-I367 HydrophobicContact CD1-CG1 4.14Å; L119-I367 HydrophobicContact CD1-CG2 4.16Å; L119-I367 HydrophobicContact CD2-CD1 4.49Å; L119-I367 HydrophobicContact CD2-CG1 4.21Å; L119-I367 HydrophobicContact CD2-CG2 3.63Å; L119-I367 HydrophobicContact CG-CG1 4.47Å; L119-I367 HydrophobicContact CG-CG2 4.5Å; L119-I370 HydrophobicContact CD1-CB 4.31Å; L119-I370 HydrophobicContact CD1-CD1 4.2Å; L119-I370 HydrophobicContact CD1-CG2 3.95Å
120	G	89	Confident	90.6	Very high	1 Å²	1	13 Å²	13	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	9.8	172	0	0	0	0	0	116.6	F43 F116 V117 T122	F43-G120 WeakPolarHBondContact CZ-O 3.25Å; F116-G120 PolarHBondContact O-N 3.26Å; V117-G120 PolarHBondContact O-N 2.83Å; G120-T122 PolarHBondContact O-N 2.69Å
121	V	91.4	Very high	90.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.			trans	-69.6	120.2	172.4	168.6	0	0	0	0	110.5	L36 H44 N45 L47 F116 K123 V124	L36-V121 HydrophobicContact CD1-CG2 3.86Å; H44-V121 VanDerWaalsContact O-CG2 3.3Å; H44-V121 WeakPolarHBondContact O-CG2 3.28Å; N45-V121 WeakPolarHBondContact O-CA 3.49Å; L47-V121 HydrophobicContact CB-CG1 3.76Å; L47-V121 HydrophobicContact CB-CG2 4.41Å; F116-V121 HydrophobicContact CB-CB 4.2Å; F116-V121 HydrophobicContact CB-CG2 4.01Å; F116-V121 HydrophobicContact CD1-CG2 4.32Å; F116-V121 VanDerWaalsContact O-CB 3.26Å; F116-V121 WeakPolarHBondContact O-CB 3.49Å; F116-V121 WeakPolarHBondContact O-CG2 3.32Å; F116-V121 PolarHBondContact O-N 2.92Å; V121-K123 WeakPolarHBondContact CG1-O 3.47Å; V121-V124 HydrophobicContact CG1-CG2 4.09Å
122	T	90.5	Very high	90.1	Very high	25 Å²	25	10.1 Å²	10.1	15%	0.153	5%	0.05	C	C	.	.			trans	-112	-8.3	178.9	53.5	0	0	0	0	113	N45 G120 S161 K164 K165	N45-T122 PolarHBondContact O-N 2.82Å; G120-T122 PolarHBondContact O-N 2.69Å; T122-S161 WeakPolarHBondContact CG2-O 3.35Å; T122-K164 HydrophobicContact CG2-CD 4.32Å; T122-K164 HydrophobicContact CG2-CG 4.29Å; T122-K164 PolarHBondContact O-N 3.45Å; T122-K165 PolarHBondContact O-N 3.39Å
123	K	91.9	Very high	89.8	Confident	49 Å²	49	12.4 Å²	12.4	21%	0.213	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.8	179.3	-51	168.8	-169.2	147.9	0	109.6	N45 Y46 L47 V121 K165 E302	N45-K123 PolarHBondContact O-N 2.88Å; N45-K123 WeakPolarHBondContact OD1-CD 3.48Å; N45-K123 VanDerWaalsContact OD1-CE 3.26Å; N45-K123 WeakPolarHBondContact OD1-CE 3.42Å; N45-K123 PolarHBondContact OD1-NZ 2.88Å; Y46-K123 WeakPolarHBondContact CA-O 3.42Å; Y46-K123 HydrophobicContact CD2-CB 4.02Å; Y46-K123 HydrophobicContact CG-CB 4.15Å; Y46-K123 HydrophobicContact CG-CD 4.36Å; L47-K123 PolarHBondContact N-O 2.97Å; V121-K123 WeakPolarHBondContact CG1-O 3.47Å; K123-K165 WeakPolarHBondContact CA-O 3.21Å; K123-K165 HydrophobicContact CG-CB 4.45Å; K123-K165 HydrophobicContact CG-CD 4.48Å; K123-E302 IonicContact NZ-OE1 2.64Å; K123-E302 PolarHBondContact NZ-OE1 3.33Å
124	V	94.3	Very high	89.6	Confident	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.4	172.6	171.1	0	0	0	0	109.3	L47 I49 T113 V121 L126 L144 L163 K165 V166 A167	L47-V124 HydrophobicContact CB-CG2 4.43Å; L47-V124 CarbonylContact O-C 3.59Å; L47-V124 WeakPolarHBondContact O-CA 3.5Å; I49-V124 HydrophobicContact CD1-CG1 3.71Å; I49-V124 HydrophobicContact CG1-CG1 4.23Å; T113-V124 HydrophobicContact CG2-CG1 4.42Å; T113-V124 HydrophobicContact CG2-CG2 3.59Å; V121-V124 HydrophobicContact CG1-CG2 4.09Å; V124-L126 HydrophobicContact CG1-CD2 4.16Å; V124-L144 HydrophobicContact CG1-CD1 4.44Å; V124-L163 HydrophobicContact CB-CD1 3.92Å; V124-L163 HydrophobicContact CB-CD2 4.35Å; V124-L163 HydrophobicContact CG2-CD1 3.52Å; V124-L163 HydrophobicContact CG2-CD2 4.02Å; V124-L163 HydrophobicContact CG2-CG 4.45Å; V124-K165 PolarHBondContact N-O 3.37Å; V124-V166 CarbonylContact O-C 3.56Å; V124-V166 WeakPolarHBondContact O-CA 3.47Å; V124-A167 PolarHBondContact O-N 3.44Å
125	R	94.5	Very high	89.5	Confident	12 Å²	12	23.1 Å²	23.1	5%	0.045	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.4	173.5	179.4	177.3	-72.3	-82	2.7	111.5	Y46 L47 R48 I49 T127 A167 L168 T169 N191	Y46-R125 HydrophobicContact CE2-CB 3.73Å; Y46-R125 VanDerWaalsContact OH-CD 3.26Å; Y46-R125 WeakPolarHBondContact OH-CD 3.45Å; Y46-R125 PolarHBondContact OH-NE 3.05Å; L47-R125 PolarHBondContact O-N 2.95Å; R48-R125 CarbonylContact C-O 3.38Å; R48-R125 WeakPolarHBondContact CA-O 3.24Å; R48-R125 HydrophobicContact CG-CB 4.38Å; R48-R125 HydrophobicContact CG-CG 4.47Å; I49-R125 PolarHBondContact N-O 2.91Å; R125-T127 HydrophobicContact CG-CG2 4.33Å; R125-A167 CarbonylContact C-O 3.52Å; R125-A167 WeakPolarHBondContact CA-O 3.46Å; R125-A167 HydrophobicContact CB-CB 4.22Å; R125-A167 HydrophobicContact CG-CB 4.29Å; R125-L168 PolarHBondContact NH1-O 3.43Å; R125-T169 VanDerWaalsContact CD-OG1 3.3Å; R125-T169 WeakPolarHBondContact CD-OG1 3.24Å; R125-T169 PolarHBondContact NH1-OG1 3.34Å; R125-T169 VanDerWaalsContact NH1-OG1 3.15Å; R125-N191 VanDerWaalsContact NH1-CG 3.31Å; R125-N191 PolarHBondContact NH1-OD1 3.03Å; R125-N191 PolarHBondContact NH2-OD1 3.35Å
126	L	94.7	Very high	89.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.3	170.7	-53.3	-174.3	0	0	0	110.7	I49 I51 V124 L137 I140 V141 L144 A167 L168 T169	I49-L126 HydrophobicContact CB-CD2 4.19Å; I49-L126 HydrophobicContact CD1-CD2 4.23Å; I49-L126 CarbonylContact O-C 3.59Å; I51-L126 HydrophobicContact CG2-CD2 3.96Å; V124-L126 HydrophobicContact CG1-CD2 4.16Å; L126-L137 HydrophobicContact CD1-CD1 3.9Å; L126-I140 HydrophobicContact CD1-CG2 4.02Å; L126-I140 HydrophobicContact CD2-CG2 4.5Å; L126-V141 HydrophobicContact CD1-CG2 3.66Å; L126-L144 HydrophobicContact CD1-CD1 4.43Å; L126-L144 HydrophobicContact CD2-CD1 3.98Å; L126-A167 PolarHBondContact N-O 3.43Å; L126-L168 HydrophobicContact CB-CD1 3.85Å; L126-T169 PolarHBondContact O-N 3.04Å
127	T	89.3	Confident	89.6	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	178.2	179.5	45.4	0	0	0	0	109	R48 I49 S50 I51 F84 R125 T169	R48-T127 HydrophobicContact CG-CG2 4.18Å; R48-T127 VanDerWaalsContact NE-CG2 3.31Å; I49-T127 WeakPolarHBondContact O-CA 3.36Å; I49-T127 PolarHBondContact O-N 2.99Å; I49-T127 PolarHBondContact O-OG1 2.94Å; S50-T127 CarbonylContact C-O 3.58Å; S50-T127 WeakPolarHBondContact CA-O 3.42Å; I51-T127 PolarHBondContact N-O 2.6Å; F84-T127 HydrophobicContact CD1-CG2 4.29Å; F84-T127 HydrophobicContact CE1-CG2 4.11Å; R125-T127 HydrophobicContact CG-CG2 4.33Å; T127-T169 WeakPolarHBondContact CG2-OG1 3.44Å
128	G	76.7	Confident	89.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-155.6	-138.2	171.4	0	0	0	0	0	111.3	S50 V52 F84 S85	S50-G128 PolarHBondContact OG-O 2.7Å; V52-G128 CarbonylContact O-C 3.52Å; V52-G128 WeakPolarHBondContact O-CA 3.29Å; F84-G128 CarbonylContact C-O 3.6Å; F84-G128 VanDerWaalsContact CA-O 3.24Å; F84-G128 WeakPolarHBondContact CA-O 3.36Å; F84-G128 WeakPolarHBondContact CB-O 3.42Å; F84-G128 WeakPolarHBondContact CD1-O 3.43Å; S85-G128 PolarHBondContact N-O 2.85Å; S85-G128 VanDerWaalsContact N-O 3.09Å
129	G	75.3	Confident	90.1	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-71.3	-64.2	131.8	0	0	0	0	0	109.3	V52 D53 Q54 F84	V52-G129 PolarHBondContact O-N 3.24Å; V52-G129 VanDerWaalsContact O-N 3.08Å; D53-G129 VanDerWaalsContact O-CA 3.25Å; D53-G129 WeakPolarHBondContact O-CA 3.37Å; D53-G129 PolarHBondContact O-N 3Å; Q54-G129 CarbonylContact O-C 3.52Å; Q54-G129 WeakPolarHBondContact O-CA 3.33Å; F84-G129 WeakPolarHBondContact CB-O 3.4Å; F84-G129 WeakPolarHBondContact CD1-O 3.41Å; F84-G129 VanDerWaalsContact CD2-O 3.25Å; F84-G129 WeakPolarHBondContact CD2-O 3.35Å; F84-G129 WeakPolarHBondContact CG-O 3.28Å
130	E	86.8	Confident	90.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-134.2	112.4	163.5	168.8	47.8	-128.4	0	0	109.6	V52 Q54 T132 I133 S170 N171	V52-E130 WeakPolarHBondContact CG1-O 3.37Å; Q54-E130 PolarHBondContact O-N 3.33Å; E130-T132 WeakPolarHBondContact CG-OG1 3.33Å; E130-T132 PolarHBondContact O-N 3.44Å; E130-T132 VanDerWaalsContact O-N 3.15Å; E130-T132 WeakPolarHBondContact OE1-CB 3.13Å; E130-T132 WeakPolarHBondContact OE1-CG2 3.28Å; E130-T132 PolarHBondContact OE1-N 2.99Å; E130-T132 PolarHBondContact OE1-OG1 3.02Å; E130-I133 HydrophobicContact CB-CD1 4.09Å; E130-I133 HydrophobicContact CB-CG1 4.36Å; E130-I133 HydrophobicContact CG-CG1 4.39Å; E130-I133 WeakPolarHBondContact O-CB 3.39Å; E130-I133 PolarHBondContact O-N 3.48Å; E130-S170 WeakPolarHBondContact OE1-CB 3.35Å; E130-S170 PolarHBondContact OE1-OG 3.34Å; E130-S170 WeakPolarHBondContact OE2-CA 3.41Å; E130-S170 PolarHBondContact OE2-OG 3.3Å; E130-N171 PolarHBondContact OE2-N 3.49Å; E130-N171 PolarHBondContact OE2-ND2 2.67Å
131	P	89.2	Confident	90.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22	-172.6	24.4	-34.1	0	0	0	114.7	I51 I133 R134 L137 L168 T169	I51-P131 HydrophobicContact CD1-CB 3.77Å; I51-P131 HydrophobicContact CG1-CB 4.03Å; P131-I133 PolarHBondContact O-N 3.04Å; P131-R134 WeakPolarHBondContact O-CB 3.34Å; P131-R134 PolarHBondContact O-N 2.87Å; P131-R134 VanDerWaalsContact O-N 3.1Å; P131-L137 HydrophobicContact CB-CD1 4.47Å; P131-L168 HydrophobicContact CB-CD1 4Å; P131-L168 HydrophobicContact CG-CD1 3.61Å; P131-L168 HydrophobicContact CG-CG 4.47Å; P131-T169 WeakPolarHBondContact CD-O 3.17Å; P131-T169 WeakPolarHBondContact CG-O 3.32Å
132	T	90.7	Very high	90.8	Very high	12 Å²	12	25.4 Å²	25.4	7%	0.074	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-72.3	-5.9	177.2	56.4	0	0	0	0	115.1	E130 R134 L137 L175 L178	E130-T132 WeakPolarHBondContact CG-OG1 3.33Å; E130-T132 PolarHBondContact O-N 3.44Å; E130-T132 VanDerWaalsContact O-N 3.15Å; E130-T132 WeakPolarHBondContact OE1-CB 3.13Å; E130-T132 WeakPolarHBondContact OE1-CG2 3.28Å; E130-T132 PolarHBondContact OE1-N 2.99Å; E130-T132 PolarHBondContact OE1-OG1 3.02Å; T132-R134 VanDerWaalsContact C-N 3.29Å; T132-L137 HydrophobicContact CG2-CD2 4Å; T132-L175 HydrophobicContact CG2-CB 3.85Å; T132-L175 HydrophobicContact CG2-CD1 3.75Å; T132-L175 HydrophobicContact CG2-CG 4.31Å; T132-L178 HydrophobicContact CG2-CD1 3.95Å
133	I	87.7	Confident	90.9	Very high	51 Å²	51	27.1 Å²	27.1	26%	0.262	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-70.8	-30.3	167.2	-64	172.8	0	0	0	110.9	Q54 N56 E130 P131 K135	Q54-I133 HydrophobicContact CB-CD1 4Å; Q54-I133 HydrophobicContact CB-CG2 4.3Å; N56-I133 HydrophobicContact CB-CD1 4.08Å; N56-I133 HydrophobicContact CB-CG1 4.43Å; E130-I133 HydrophobicContact CB-CD1 4.09Å; E130-I133 HydrophobicContact CB-CG1 4.36Å; E130-I133 HydrophobicContact CG-CG1 4.39Å; E130-I133 WeakPolarHBondContact O-CB 3.39Å; E130-I133 PolarHBondContact O-N 3.48Å; P131-I133 PolarHBondContact O-N 3.04Å; I133-K135 PolarHBondContact O-N 3.21Å
134	R	89.8	Confident	91	Very high	30 Å²	30	24.8 Å²	24.8	11%	0.113	12%	0.119	C	C	.	.			trans	-77.9	108.3	-175.4	-179.4	154	-179	163.2	0.2	111	I51 V52 A104 P131 T132 D136 L137	I51-R134 HydrophobicContact CD1-CB 4.06Å; I51-R134 HydrophobicContact CD1-CG 4.27Å; I51-R134 HydrophobicContact CG1-CB 4.29Å; I51-R134 WeakPolarHBondContact O-CD 3.49Å; I51-R134 PolarHBondContact O-NH1 2.88Å; V52-R134 HydrophobicContact CB-CB 4.41Å; A104-R134 PolarHBondContact O-NH1 3.49Å; A104-R134 PolarHBondContact O-NH2 2.82Å; P131-R134 WeakPolarHBondContact O-CB 3.34Å; P131-R134 PolarHBondContact O-N 2.87Å; P131-R134 VanDerWaalsContact O-N 3.1Å; T132-R134 VanDerWaalsContact C-N 3.29Å; R134-D136 WeakPolarHBondContact CD-OD1 3.4Å; R134-D136 WeakPolarHBondContact CG-OD1 3.46Å; R134-D136 IonicContact CZ-OD1 3.63Å; R134-D136 IonicContact CZ-OD2 2.67Å; R134-D136 IonicContact NE-OD1 2.67Å; R134-D136 PolarHBondContact NE-OD1 3.2Å; R134-D136 IonicContact NE-OD2 2.6Å; R134-D136 PolarHBondContact NE-OD2 3.22Å; R134-D136 IonicContact NH2-OD1 2.83Å; R134-D136 IonicContact NH2-OD2 2.62Å; R134-D136 PolarHBondContact NH2-OD2 3.05Å; R134-D136 PolarHBondContact O-N 3.04Å; R134-D136 VanDerWaalsContact O-N 3.16Å; R134-L137 VanDerWaalsContact O-CB 3.23Å; R134-L137 WeakPolarHBondContact O-CB 2.98Å; R134-L137 PolarHBondContact O-N 2.9Å
135	K	91.2	Very high	90.7	Very high	212 Å²	212	25.7 Å²	25.7	92%	0.922	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-34.1	-172.4	-61.4	-179.5	-178.1	177.6	0	114.1	I133	I133-K135 PolarHBondContact O-N 3.21Å
136	D	94	Very high	90.4	Very high	38 Å²	38	31.1 Å²	31.1	20%	0.203	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	12.3	179.8	59.1	-32.9	0	0	0	114.3	K106 R134 T138 D139 I140	K106-D136 WeakPolarHBondContact CB-OD2 3.39Å; K106-D136 HydrophobicContact CD-CB 3.99Å; R134-D136 WeakPolarHBondContact CD-OD1 3.4Å; R134-D136 WeakPolarHBondContact CG-OD1 3.46Å; R134-D136 IonicContact CZ-OD1 3.63Å; R134-D136 IonicContact CZ-OD2 2.67Å; R134-D136 IonicContact NE-OD1 2.67Å; R134-D136 PolarHBondContact NE-OD1 3.2Å; R134-D136 IonicContact NE-OD2 2.6Å; R134-D136 PolarHBondContact NE-OD2 3.22Å; R134-D136 IonicContact NH2-OD1 2.83Å; R134-D136 IonicContact NH2-OD2 2.62Å; R134-D136 PolarHBondContact NH2-OD2 3.05Å; R134-D136 PolarHBondContact O-N 3.04Å; R134-D136 VanDerWaalsContact O-N 3.16Å; D136-T138 VanDerWaalsContact C-N 3.26Å; D136-T138 PolarHBondContact O-N 3.48Å; D136-D139 HydrophobicContact CB-CB 4.43Å; D136-D139 WeakPolarHBondContact O-CB 3.35Å; D136-D139 PolarHBondContact O-N 3.01Å; D136-D139 VanDerWaalsContact O-N 3.08Å; D136-I140 WeakPolarHBondContact O-CG1 3.28Å; D136-I140 PolarHBondContact O-N 2.67Å
137	L	95.4	Very high	89.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-50.7	-43	176.9	169.9	63.8	0	0	0	113	I51 L126 P131 T132 R134 I140 V141 L168 L182	I51-L137 HydrophobicContact CD1-CB 4.41Å; I51-L137 HydrophobicContact CD1-CD1 3.62Å; L126-L137 HydrophobicContact CD1-CD1 3.9Å; P131-L137 HydrophobicContact CB-CD1 4.47Å; T132-L137 HydrophobicContact CG2-CD2 4Å; R134-L137 VanDerWaalsContact O-CB 3.23Å; R134-L137 WeakPolarHBondContact O-CB 2.98Å; R134-L137 PolarHBondContact O-N 2.9Å; L137-I140 PolarHBondContact O-N 2.99Å; L137-V141 HydrophobicContact CD1-CG2 4.34Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.11Å; L137-L168 HydrophobicContact CD1-CD1 4.14Å; L137-L168 HydrophobicContact CD2-CD2 4.43Å; L137-L182 HydrophobicContact CD2-CD1 4.24Å; L137-L182 HydrophobicContact CD2-CD2 4.34Å; L137-L182 HydrophobicContact CG-CD2 4Å
138	T	95.2	Very high	89.8	Confident	27 Å²	27	36.4 Å²	36.4	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-36.9	-179.5	-53.9	0	0	0	0	112.1	D136 G142 N181 R185	D136-T138 VanDerWaalsContact C-N 3.26Å; D136-T138 PolarHBondContact O-N 3.48Å; T138-G142 PolarHBondContact O-N 3.13Å; T138-N181 HydrophobicContact CG2-CB 4.24Å; T138-R185 HydrophobicContact CG2-CG 3.79Å
139	D	94.9	Very high	89.8	Confident	67 Å²	67	43.5 Å²	43.5	36%	0.358	21%	0.205	S	C	.	.	H	α-helix	trans	-66.7	-42.4	173	-77.8	9.1	0	0	0	111.3	K106 D136 G142 K143	K106-D139 HydrophobicContact CD-CB 4.01Å; K106-D139 IonicContact NZ-OD2 3.89Å; K106-D139 PolarHBondContact NZ-OD2 3.37Å; D136-D139 HydrophobicContact CB-CB 4.43Å; D136-D139 WeakPolarHBondContact O-CB 3.35Å; D136-D139 PolarHBondContact O-N 3.01Å; D136-D139 VanDerWaalsContact O-N 3.08Å; D139-G142 PolarHBondContact O-N 3.1Å; D139-K143 WeakPolarHBondContact O-CB 3.48Å; D139-K143 PolarHBondContact O-N 3.18Å
140	I	95.3	Very high	89.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-48.3	178.4	-69.1	164	0	0	0	110	I51 K106 I109 L126 D136 L137 G142 K143 L144	I51-I140 HydrophobicContact CD1-CD1 4.42Å; K106-I140 HydrophobicContact CB-CD1 4.12Å; K106-I140 HydrophobicContact CB-CG1 3.47Å; K106-I140 VanDerWaalsContact CB-CG1 3.47Å; I109-I140 HydrophobicContact CD1-CD1 4.03Å; I109-I140 HydrophobicContact CG2-CG2 4.03Å; L126-I140 HydrophobicContact CD1-CG2 4.02Å; L126-I140 HydrophobicContact CD2-CG2 4.5Å; D136-I140 WeakPolarHBondContact O-CG1 3.28Å; D136-I140 PolarHBondContact O-N 2.67Å; L137-I140 PolarHBondContact O-N 2.99Å; I140-G142 PolarHBondContact O-N 3.24Å; I140-K143 PolarHBondContact O-N 2.96Å; I140-L144 HydrophobicContact CG2-CD1 3.81Å; I140-L144 HydrophobicContact CG2-CG 4.37Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 WeakPolarHBondContact O-CG 3.08Å; I140-L144 PolarHBondContact O-N 2.94Å
141	V	95.6	Very high	88.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-47.8	174.8	172.2	0	0	0	0	110.8	L126 L137 L144 V145 L182 R185 L187	L126-V141 HydrophobicContact CD1-CG2 3.66Å; L137-V141 HydrophobicContact CD1-CG2 4.34Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.11Å; V141-L144 PolarHBondContact O-N 2.84Å; V141-V145 HydrophobicContact CG1-CG2 4.45Å; V141-V145 WeakPolarHBondContact O-CG2 3.4Å; V141-V145 PolarHBondContact O-N 2.97Å; V141-L182 HydrophobicContact CB-CD2 4.32Å; V141-L182 HydrophobicContact CG2-CD2 3.95Å; V141-R185 HydrophobicContact CG1-CB 4.03Å; V141-L187 HydrophobicContact CG1-CB 4.2Å
142	G	93.4	Very high	87.1	Confident	4 Å²	4	59.4 Å²	59.4	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-48.7	178.7	0	0	0	0	0	113.4	T138 D139 I140 V145 L146	T138-G142 PolarHBondContact O-N 3.13Å; D139-G142 PolarHBondContact O-N 3.1Å; I140-G142 PolarHBondContact O-N 3.24Å; G142-V145 PolarHBondContact O-N 2.86Å; G142-L146 WeakPolarHBondContact O-CB 3.43Å; G142-L146 VanDerWaalsContact O-CG 3.25Å; G142-L146 WeakPolarHBondContact O-CG 3.5Å; G142-L146 PolarHBondContact O-N 2.89Å
143	K	93	Very high	85.4	Confident	62 Å²	62	61.2 Å²	61.2	27%	0.27	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-44.6	177.9	-75.5	-167.3	171.7	-164.7	0	112.1	E107 V110 D139 I140 V145 L146 Q147	E107-K143 IonicContact OE1-NZ 3.53Å; E107-K143 PolarHBondContact OE1-NZ 3.32Å; V110-K143 HydrophobicContact CG1-CB 4.41Å; V110-K143 HydrophobicContact CG2-CB 3.64Å; V110-K143 HydrophobicContact CG2-CD 4.35Å; D139-K143 WeakPolarHBondContact O-CB 3.48Å; D139-K143 PolarHBondContact O-N 3.18Å; I140-K143 PolarHBondContact O-N 2.96Å; K143-V145 VanDerWaalsContact C-N 3.34Å; K143-V145 PolarHBondContact O-N 3.04Å; K143-L146 PolarHBondContact O-N 3.34Å; K143-Q147 VanDerWaalsContact O-CB 3.29Å; K143-Q147 WeakPolarHBondContact O-CB 3.2Å; K143-Q147 WeakPolarHBondContact O-CG 3.18Å; K143-Q147 PolarHBondContact O-N 2.74Å
144	L	93.1	Very high	83.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-42.4	177.5	-70.9	172.9	0	0	0	111.9	V110 T113 V124 L126 I140 V141 L148 L163	V110-L144 HydrophobicContact CB-CD2 4.41Å; V110-L144 HydrophobicContact CG1-CD2 4.49Å; V110-L144 HydrophobicContact CG2-CD2 3.95Å; V110-L144 HydrophobicContact CG2-CG 4.1Å; T113-L144 HydrophobicContact CG2-CD2 3.73Å; V124-L144 HydrophobicContact CG1-CD1 4.44Å; L126-L144 HydrophobicContact CD1-CD1 4.43Å; L126-L144 HydrophobicContact CD2-CD1 3.98Å; I140-L144 HydrophobicContact CG2-CD1 3.81Å; I140-L144 HydrophobicContact CG2-CG 4.37Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 WeakPolarHBondContact O-CG 3.08Å; I140-L144 PolarHBondContact O-N 2.94Å; V141-L144 PolarHBondContact O-N 2.84Å; L144-L148 HydrophobicContact CD2-CD1 3.53Å; L144-L148 HydrophobicContact CD2-CG 4.48Å; L144-L148 WeakPolarHBondContact O-CB 3.36Å; L144-L148 PolarHBondContact O-N 2.75Å; L144-L163 HydrophobicContact CB-CD2 4.27Å
145	V	90.1	Very high	81.4	Confident	20 Å²	20	64.9 Å²	64.9	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-71.7	-41.9	179	172.8	0	0	0	0	112.1	V141 G142 K143 R149 V166 R185	V141-V145 HydrophobicContact CG1-CG2 4.45Å; V141-V145 WeakPolarHBondContact O-CG2 3.4Å; V141-V145 PolarHBondContact O-N 2.97Å; G142-V145 PolarHBondContact O-N 2.86Å; K143-V145 VanDerWaalsContact C-N 3.34Å; K143-V145 PolarHBondContact O-N 3.04Å; V145-R149 WeakPolarHBondContact O-CB 3.46Å; V145-V166 HydrophobicContact CG2-CB 4.3Å; V145-V166 HydrophobicContact CG2-CG2 3.76Å; V145-R185 WeakPolarHBondContact CB-O 3.47Å; V145-R185 WeakPolarHBondContact CG2-O 3.36Å
146	L	87.3	Confident	79	Confident	126 Å²	126	59.8 Å²	59.8	66%	0.66	31%	0.314	S	S	*	.	H	α-helix	trans	-72.8	-42.6	-178.1	-71	169.5	0	0	0	112.5	G142 K143	G142-L146 WeakPolarHBondContact O-CB 3.43Å; G142-L146 VanDerWaalsContact O-CG 3.25Å; G142-L146 WeakPolarHBondContact O-CG 3.5Å; G142-L146 PolarHBondContact O-N 2.89Å; K143-L146 PolarHBondContact O-N 3.34Å
147	Q	85	Confident	76.6	Confident	108 Å²	108	64.7 Å²	64.7	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-88.5	-34.9	-171.8	-61.5	-174.7	-7.2	0	0	113.4	K143	K143-Q147 VanDerWaalsContact O-CB 3.29Å; K143-Q147 WeakPolarHBondContact O-CB 3.2Å; K143-Q147 WeakPolarHBondContact O-CG 3.18Å; K143-Q147 PolarHBondContact O-N 2.74Å
148	L	85.3	Confident	74.3	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-102.3	-10.2	-167.7	-48.1	-173.3	0	0	0	114.3	T113 S114 V117 L144 I151 L163	T113-L148 HydrophobicContact CG2-CD1 3.64Å; S114-L148 VanDerWaalsContact CB-CD2 3.45Å; V117-L148 HydrophobicContact CG2-CB 4.31Å; V117-L148 HydrophobicContact CG2-CD1 4.14Å; L144-L148 HydrophobicContact CD2-CD1 3.53Å; L144-L148 HydrophobicContact CD2-CG 4.48Å; L144-L148 WeakPolarHBondContact O-CB 3.36Å; L144-L148 PolarHBondContact O-N 2.75Å; L148-I151 HydrophobicContact CB-CD1 4.23Å; L148-I151 HydrophobicContact CD2-CD1 3.73Å; L148-L163 HydrophobicContact CB-CB 3.85Å; L148-L163 HydrophobicContact CB-CD2 3.97Å; L148-L163 HydrophobicContact CD1-CD2 4.12Å; L148-L163 WeakPolarHBondContact O-CB 3.38Å; L148-L163 PolarHBondContact O-N 2.98Å
149	R	76.9	Confident	72.2	Confident	149 Å²	149	76.1 Å²	76.1	56%	0.562	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.6	-177	-171.3	173.2	-176.7	-170.9	-0.6	113.7	V145	V145-R149 WeakPolarHBondContact O-CB 3.46Å
150	L	69.2	Low	70.3	Confident	148 Å²	148	74.5 Å²	74.5	78%	0.775	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	11.6	178.4	-61.8	179.7	0	0	0	113.3	E152	L150-E152 PolarHBondContact O-N 3.11Å
151	I	68	Low	68.8	Low	38 Å²	38	76.8 Å²	76.8	20%	0.195	40%	0.396	C	S	.	.			trans	-70.2	99.4	169.3	-62.6	177.8	0	0	0	107.6	V117 L148 I153 G162	V117-I151 HydrophobicContact CG1-CB 4.31Å; V117-I151 HydrophobicContact CG1-CD1 4.08Å; V117-I151 HydrophobicContact CG1-CG2 4.43Å; L148-I151 HydrophobicContact CB-CD1 4.23Å; L148-I151 HydrophobicContact CD2-CD1 3.73Å; I151-I153 HydrophobicContact CG2-CD1 4.27Å; I151-I153 HydrophobicContact CG2-CG1 3.9Å; I151-G162 VanDerWaalsContact O-CA 3.25Å; I151-G162 WeakPolarHBondContact O-CA 3.15Å; I151-G162 PolarHBondContact O-N 2.74Å
152	E	57.5	Low	68.1	Low	151 Å²	151	77.1 Å²	77.1	71%	0.706	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.9	163.7	-63.9	-152.9	136.4	0	0	109.3	L150	L150-E152 PolarHBondContact O-N 3.11Å
153	I	56.1	Low	67.8	Low	50 Å²	50	77.1 Å²	77.1	26%	0.256	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106.9	175.1	-42.2	176	0	0	0	107.3	K118 I151 D155 I160	K118-I153 WeakPolarHBondContact O-CD1 3.25Å; I151-I153 HydrophobicContact CG2-CD1 4.27Å; I151-I153 HydrophobicContact CG2-CG1 3.9Å; I153-D155 PolarHBondContact O-N 3.3Å; I153-I160 HydrophobicContact CB-CB 4.16Å; I153-I160 HydrophobicContact CD1-CB 4.27Å; I153-I160 HydrophobicContact CD1-CG2 4.18Å; I153-I160 HydrophobicContact CG1-CB 4.39Å; I153-I160 PolarHBondContact N-O 3.27Å; I153-I160 VanDerWaalsContact N-O 3.08Å; I153-I160 PolarHBondContact O-N 2.91Å
154	S	45.7	Very low	67.6	Low	114 Å²	114	79.8 Å²	79.8	80%	0.797	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	84.2	172.7	58.5	0	0	0	0	109.8
155	D	46.6	Very low	67.5	Low	44 Å²	44	84.1 Å²	84.1	24%	0.235	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.5	152.9	-161.4	-9.8	0	0	0	108.9	I153 L157 S158	I153-D155 PolarHBondContact O-N 3.3Å; D155-L157 PolarHBondContact O-N 2.77Å; D155-S158 PolarHBondContact O-N 3.16Å
156	S	41.6	Very low	67.7	Low	104 Å²	104	83.3 Å²	83.3	73%	0.727	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-10	-174.2	54	0	0	0	0	117.5
157	L	43.7	Very low	68	Low	141 Å²	141	77.7 Å²	77.7	74%	0.738	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-17.7	-175.3	-76	156.8	0	0	0	114.6	D155	D155-L157 PolarHBondContact O-N 2.77Å
158	S	46.4	Very low	68.5	Low	55 Å²	55	72.5 Å²	72.5	39%	0.385	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	131.7	176.2	63.7	0	0	0	0	113.5	D155 I160	D155-S158 PolarHBondContact O-N 3.16Å; S158-I160 PolarHBondContact O-N 3.33Å
159	R	52.1	Low	68.9	Low	214 Å²	214	72.4 Å²	72.4	81%	0.808	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	94.4	165.7	-78.6	-174.9	171.4	-167.6	-5.8	110.6	S161	R159-S161 PolarHBondContact O-N 3.27Å
160	I	53.8	Low	69.6	Low	34 Å²	34	65.3 Å²	65.3	17%	0.174	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	112.4	166.7	-57.9	179.3	0	0	0	107.4	T35 I153 S158	T35-I160 HydrophobicContact CG2-CD1 4.46Å; I153-I160 HydrophobicContact CB-CB 4.16Å; I153-I160 HydrophobicContact CD1-CB 4.27Å; I153-I160 HydrophobicContact CD1-CG2 4.18Å; I153-I160 HydrophobicContact CG1-CB 4.39Å; I153-I160 PolarHBondContact N-O 3.27Å; I153-I160 VanDerWaalsContact N-O 3.08Å; I153-I160 PolarHBondContact O-N 2.91Å; S158-I160 PolarHBondContact O-N 3.33Å
161	S	64.1	Low	70.6	Confident	48 Å²	48	58.5 Å²	58.5	34%	0.336	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.7	171.3	21.1	0	0	0	0	108.5	T122 R159 K164	T122-S161 WeakPolarHBondContact CG2-O 3.35Å; R159-S161 PolarHBondContact O-N 3.27Å; S161-K164 WeakPolarHBondContact O-CE 3.45Å; S161-K164 WeakPolarHBondContact OG-CE 3.26Å; S161-K164 PolarHBondContact OG-NZ 2.93Å
162	G	80.9	Confident	71.7	Confident	6 Å²	6	56.7 Å²	56.7	6%	0.062	30%	0.298	C	S	.	.			trans	-61.8	-155.6	-170.6	0	0	0	0	0	116.7	I151 K164	I151-G162 VanDerWaalsContact O-CA 3.25Å; I151-G162 WeakPolarHBondContact O-CA 3.15Å; I151-G162 PolarHBondContact O-N 2.74Å; G162-K164 WeakPolarHBondContact O-CG 3.44Å; G162-K164 PolarHBondContact O-N 3.29Å
163	L	87.4	Confident	73.3	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.269	C	S	.	.			trans	-62.4	98.9	-163.4	-175	50.5	0	0	0	113.7	V117 V124 L144 L148 V166	V117-L163 HydrophobicContact CG2-CB 4.19Å; V124-L163 HydrophobicContact CB-CD1 3.92Å; V124-L163 HydrophobicContact CB-CD2 4.35Å; V124-L163 HydrophobicContact CG2-CD1 3.52Å; V124-L163 HydrophobicContact CG2-CD2 4.02Å; V124-L163 HydrophobicContact CG2-CG 4.45Å; L144-L163 HydrophobicContact CB-CD2 4.27Å; L148-L163 HydrophobicContact CB-CB 3.85Å; L148-L163 HydrophobicContact CB-CD2 3.97Å; L148-L163 HydrophobicContact CD1-CD2 4.12Å; L148-L163 WeakPolarHBondContact O-CB 3.38Å; L148-L163 PolarHBondContact O-N 2.98Å; L163-V166 HydrophobicContact CD2-CG2 3.78Å; L163-V166 HydrophobicContact CG-CG2 4Å
164	K	88.3	Confident	75	Confident	118 Å²	118	51.3 Å²	51.3	51%	0.513	27%	0.274	S	S	.	.			trans	-82	-34.1	-174.3	-53.2	-169.2	179.3	-177.5	0	113.6	T122 S161 G162	T122-K164 HydrophobicContact CG2-CD 4.32Å; T122-K164 HydrophobicContact CG2-CG 4.29Å; T122-K164 PolarHBondContact O-N 3.45Å; S161-K164 WeakPolarHBondContact O-CE 3.45Å; S161-K164 WeakPolarHBondContact OG-CE 3.26Å; S161-K164 PolarHBondContact OG-NZ 2.93Å; G162-K164 WeakPolarHBondContact O-CG 3.44Å; G162-K164 PolarHBondContact O-N 3.29Å
165	K	91.8	Very high	77.4	Confident	90 Å²	90	45.9 Å²	45.9	39%	0.391	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	111.9	-174.2	-63.2	-171.7	173.4	-155.3	0	111.1	T122 K123 V124 H189	T122-K165 PolarHBondContact O-N 3.39Å; K123-K165 WeakPolarHBondContact CA-O 3.21Å; K123-K165 HydrophobicContact CG-CB 4.45Å; K123-K165 HydrophobicContact CG-CD 4.48Å; V124-K165 PolarHBondContact N-O 3.37Å; K165-H189 WeakPolarHBondContact CD-CE1 3.3Å; K165-H189 PolarHBondContact NZ-NE2 2.82Å; K165-H189 VanDerWaalsContact NZ-NE2 3.1Å
166	V	94.4	Very high	79.7	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.2	162.1	-175.7	0	0	0	0	108.3	V124 V145 L163 L187 T188 H189	V124-V166 CarbonylContact O-C 3.56Å; V124-V166 WeakPolarHBondContact O-CA 3.47Å; V145-V166 HydrophobicContact CG2-CB 4.3Å; V145-V166 HydrophobicContact CG2-CG2 3.76Å; L163-V166 HydrophobicContact CD2-CG2 3.78Å; L163-V166 HydrophobicContact CG-CG2 4Å; V166-L187 HydrophobicContact CG1-CD1 4.17Å; V166-T188 PolarHBondContact N-OG1 3.27Å; V166-T188 PolarHBondContact O-N 2.84Å; V166-T188 PolarHBondContact O-OG1 2.66Å; V166-H189 PolarHBondContact O-N 2.9Å
167	A	94.1	Very high	82.2	Confident	8 Å²	8	48 Å²	48	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.3	-176.5	0	0	0	0	0	112	V124 R125 L126 H189	V124-A167 PolarHBondContact O-N 3.44Å; R125-A167 CarbonylContact C-O 3.52Å; R125-A167 WeakPolarHBondContact CA-O 3.46Å; R125-A167 HydrophobicContact CB-CB 4.22Å; R125-A167 HydrophobicContact CG-CB 4.29Å; L126-A167 PolarHBondContact N-O 3.43Å; A167-H189 VanDerWaalsContact CA-O 3.22Å; A167-H189 WeakPolarHBondContact CA-O 3.47Å; A167-H189 HydrophobicContact CB-CB 3.89Å
168	L	94.8	Very high	84.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.4	175.7	-171.5	62.3	0	0	0	110.7	R125 L126 P131 L137 L175 L182 L187 H189 L190 N191	R125-L168 PolarHBondContact NH1-O 3.43Å; L126-L168 HydrophobicContact CB-CD1 3.85Å; P131-L168 HydrophobicContact CB-CD1 4Å; P131-L168 HydrophobicContact CG-CD1 3.61Å; P131-L168 HydrophobicContact CG-CG 4.47Å; L137-L168 HydrophobicContact CD1-CD1 4.14Å; L137-L168 HydrophobicContact CD2-CD2 4.43Å; L168-L175 HydrophobicContact CD2-CD1 3.67Å; L168-L175 HydrophobicContact CD2-CD2 3.97Å; L168-L182 HydrophobicContact CD2-CD1 4.08Å; L168-L187 HydrophobicContact CB-CD1 3.9Å; L168-L187 HydrophobicContact CB-CD2 3.9Å; L168-L187 HydrophobicContact CD2-CD2 4.17Å; L168-H189 PolarHBondContact N-O 2.91Å; L168-L190 HydrophobicContact CB-CD1 4.08Å; L168-L190 HydrophobicContact CD2-CD1 4.41Å; L168-L190 HydrophobicContact CG-CD1 4.42Å; L168-N191 PolarHBondContact O-N 3.08Å
169	T	92.5	Very high	87.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.4	165.8	-33	0	0	0	0	108.4	F84 R125 L126 T127 P131 N191	F84-T169 HydrophobicContact CE1-CG2 4.41Å; F84-T169 WeakPolarHBondContact CE1-O 3.38Å; F84-T169 HydrophobicContact CZ-CG2 4.13Å; R125-T169 VanDerWaalsContact CD-OG1 3.3Å; R125-T169 WeakPolarHBondContact CD-OG1 3.24Å; R125-T169 PolarHBondContact NH1-OG1 3.34Å; R125-T169 VanDerWaalsContact NH1-OG1 3.15Å; L126-T169 PolarHBondContact O-N 3.04Å; T127-T169 WeakPolarHBondContact CG2-OG1 3.44Å; P131-T169 WeakPolarHBondContact CD-O 3.17Å; P131-T169 WeakPolarHBondContact CG-O 3.32Å; T169-N191 VanDerWaalsContact CA-O 3.31Å; T169-N191 WeakPolarHBondContact CA-O 3.35Å; T169-N191 HydrophobicContact CG2-CB 3.91Å
170	S	92.3	Very high	89.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.9	-176.9	177.8	0	0	0	0	110.5	E130 G172 N191 L192 S193	E130-S170 WeakPolarHBondContact OE1-CB 3.35Å; E130-S170 PolarHBondContact OE1-OG 3.34Å; E130-S170 WeakPolarHBondContact OE2-CA 3.41Å; E130-S170 PolarHBondContact OE2-OG 3.3Å; S170-G172 PolarHBondContact OG-N 2.93Å; S170-N191 PolarHBondContact N-O 3.25Å; S170-L192 CarbonylContact O-C 3.6Å; S170-L192 WeakPolarHBondContact O-CA 3.44Å; S170-S193 PolarHBondContact O-N 2.91Å
171	N	89.9	Confident	91.1	Very high	5 Å²	5	36 Å²	36	3%	0.027	18%	0.184	C	C	.	.			trans	-74.4	-8.7	165	65.6	40.9	0	0	0	113.4	N56 L57 E130 I173 V214	N56-N171 PolarHBondContact OD1-ND2 2.94Å; L57-N171 HydrophobicContact CD1-CB 3.78Å; E130-N171 PolarHBondContact OE2-N 3.49Å; E130-N171 PolarHBondContact OE2-ND2 2.67Å; N171-I173 PolarHBondContact O-N 3.28Å; N171-I173 PolarHBondContact OD1-N 3.36Å; N171-I173 VanDerWaalsContact OD1-N 3.1Å; N171-V214 WeakPolarHBondContact O-CG1 3.4Å; N171-V214 WeakPolarHBondContact O-CG2 3.18Å
172	G	92.2	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	84.6	-11.1	171.5	0	0	0	0	0	116.5	S170 I174 L175 T217	S170-G172 PolarHBondContact OG-N 2.93Å; G172-I174 PolarHBondContact O-N 3.39Å; G172-L175 PolarHBondContact O-N 3.36Å; G172-T217 WeakPolarHBondContact O-CB 3.3Å; G172-T217 PolarHBondContact O-OG1 2.88Å
173	I	90.9	Very high	93.4	Very high	17 Å²	17	37 Å²	37	9%	0.087	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.8	-167.7	-66.8	174.8	0	0	0	113.5	L57 N171 F202 V214	L57-I173 HydrophobicContact CD1-CD1 4.13Å; L57-I173 HydrophobicContact CD2-CD1 3.42Å; L57-I173 VanDerWaalsContact CD2-CD1 3.42Å; L57-I173 HydrophobicContact CG-CD1 3.94Å; N171-I173 PolarHBondContact O-N 3.28Å; N171-I173 PolarHBondContact OD1-N 3.36Å; N171-I173 VanDerWaalsContact OD1-N 3.1Å; I173-F202 HydrophobicContact CD1-CZ 4.35Å; I173-V214 HydrophobicContact CG1-CG2 3.6Å
174	I	91.9	Very high	93.7	Very high	71 Å²	71	44.1 Å²	44.1	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-27.4	177.2	-61	175.9	0	0	0	110.9	N56 G172 G176 K177	N56-I174 WeakPolarHBondContact ND2-CD1 3.15Å; G172-I174 PolarHBondContact O-N 3.39Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 2.97Å; I174-G176 VanDerWaalsContact O-N 3.14Å; I174-K177 PolarHBondContact O-N 2.96Å
175	L	94.7	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.1	-34.2	-164.6	179.6	56.2	0	0	0	114.2	T132 L168 G172 K177 L178 L179 L182 L190 L192 T217	T132-L175 HydrophobicContact CG2-CB 3.85Å; T132-L175 HydrophobicContact CG2-CD1 3.75Å; T132-L175 HydrophobicContact CG2-CG 4.31Å; L168-L175 HydrophobicContact CD2-CD1 3.67Å; L168-L175 HydrophobicContact CD2-CD2 3.97Å; G172-L175 PolarHBondContact O-N 3.36Å; L175-K177 PolarHBondContact O-N 3.25Å; L175-L178 HydrophobicContact CD1-CB 4.35Å; L175-L178 WeakPolarHBondContact O-CA 3.44Å; L175-L178 PolarHBondContact O-N 3.36Å; L175-L179 HydrophobicContact CD1-CD2 3.77Å; L175-L179 HydrophobicContact CD1-CG 4.19Å; L175-L179 HydrophobicContact CD2-CD2 4Å; L175-L179 HydrophobicContact CG-CD2 3.68Å; L175-L179 HydrophobicContact CG-CG 3.9Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.41Å; L175-L182 HydrophobicContact CD1-CD1 3.5Å; L175-L190 HydrophobicContact CD2-CD1 3.66Å; L175-L190 HydrophobicContact CD2-CD2 4.39Å; L175-L192 HydrophobicContact CD2-CD2 3.83Å; L175-T217 HydrophobicContact CB-CG2 4.05Å; L175-T217 HydrophobicContact CG-CG2 4.24Å
176	G	94.9	Very high	94.1	Very high	8 Å²	8	40.8 Å²	40.8	8%	0.082	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-53	-30.7	179	0	0	0	0	0	114.5	I174 T217	I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 2.97Å; I174-G176 VanDerWaalsContact O-N 3.14Å; G176-T217 VanDerWaalsContact CA-OG1 3.26Å; G176-T217 WeakPolarHBondContact CA-OG1 3.44Å; G176-T217 PolarHBondContact N-OG1 3.06Å; G176-T217 VanDerWaalsContact N-OG1 3.11Å
177	K	95.4	Very high	94.1	Very high	185 Å²	185	40.8 Å²	40.8	80%	0.804	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-73.7	-23.1	174.7	-65.7	-171.6	175.4	-171	0	114	I174 L175	I174-K177 PolarHBondContact O-N 2.96Å; L175-K177 PolarHBondContact O-N 3.25Å
178	L	95.8	Very high	94.1	Very high	47 Å²	47	42.6 Å²	42.6	25%	0.246	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-18.8	-175.8	-57.4	175.6	0	0	0	112.6	T132 L175 N181 L182	T132-L178 HydrophobicContact CG2-CD1 3.95Å; L175-L178 HydrophobicContact CD1-CB 4.35Å; L175-L178 WeakPolarHBondContact O-CA 3.44Å; L175-L178 PolarHBondContact O-N 3.36Å; L178-N181 PolarHBondContact O-N 2.75Å; L178-L182 HydrophobicContact CB-CD1 3.72Å; L178-L182 HydrophobicContact CB-CG 4.25Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 VanDerWaalsContact O-CG 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.45Å
179	L	96.3	Very high	94	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-53.4	-43	-175	-77.4	-178.2	0	0	0	115.3	L175 L182 K183 L190 T217 I220 A221 L224 F225	L175-L179 HydrophobicContact CD1-CD2 3.77Å; L175-L179 HydrophobicContact CD1-CG 4.19Å; L175-L179 HydrophobicContact CD2-CD2 4Å; L175-L179 HydrophobicContact CG-CD2 3.68Å; L175-L179 HydrophobicContact CG-CG 3.9Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.41Å; L179-L182 PolarHBondContact O-N 2.6Å; L179-K183 VanDerWaalsContact O-CB 3.22Å; L179-K183 WeakPolarHBondContact O-CB 3.35Å; L179-K183 PolarHBondContact O-N 2.91Å; L179-L190 HydrophobicContact CD1-CD2 4.37Å; L179-L190 HydrophobicContact CD2-CD2 3.84Å; L179-T217 HydrophobicContact CD1-CG2 3.89Å; L179-I220 HydrophobicContact CB-CG2 4.02Å; L179-I220 HydrophobicContact CD1-CB 4.22Å; L179-I220 HydrophobicContact CD1-CG2 3.81Å; L179-A221 HydrophobicContact CD1-CB 3.82Å; L179-L224 HydrophobicContact CB-CD1 3.86Å; L179-F225 HydrophobicContact CD2-CE2 4.21Å
180	P	95.7	Very high	94.1	Very high	61 Å²	61	44.8 Å²	44.8	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-52.1	178.4	-24	35.3	0	0	0	111.8	L182 K183 E184 L224	P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 2.62Å; P180-K183 WeakPolarHBondContact O-CB 3.32Å; P180-K183 PolarHBondContact O-N 3.34Å; P180-K183 VanDerWaalsContact O-N 3.16Å; P180-E184 WeakPolarHBondContact O-CB 3.44Å; P180-E184 PolarHBondContact O-N 3.13Å; P180-L224 HydrophobicContact CG-CD1 4.47Å
181	N	95.7	Very high	94.2	Very high	83 Å²	83	45 Å²	45	44%	0.444	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-37.5	-178.7	-55.7	24.9	0	0	0	111.3	T138 L178 E184 R185	T138-N181 HydrophobicContact CG2-CB 4.24Å; L178-N181 PolarHBondContact O-N 2.75Å; N181-E184 PolarHBondContact O-N 2.75Å; N181-R185 WeakPolarHBondContact O-CB 3.37Å; N181-R185 VanDerWaalsContact O-CG 3.25Å; N181-R185 WeakPolarHBondContact O-CG 3.4Å; N181-R185 PolarHBondContact O-N 3.23Å
182	L	96.9	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-39.1	175.1	-69.8	168.2	0	0	0	111.8	L137 V141 L168 L175 L178 L179 P180 G186 L187	L137-L182 HydrophobicContact CD2-CD1 4.24Å; L137-L182 HydrophobicContact CD2-CD2 4.34Å; L137-L182 HydrophobicContact CG-CD2 4Å; V141-L182 HydrophobicContact CB-CD2 4.32Å; V141-L182 HydrophobicContact CG2-CD2 3.95Å; L168-L182 HydrophobicContact CD2-CD1 4.08Å; L175-L182 HydrophobicContact CD1-CD1 3.5Å; L178-L182 HydrophobicContact CB-CD1 3.72Å; L178-L182 HydrophobicContact CB-CG 4.25Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 VanDerWaalsContact O-CG 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.45Å; L179-L182 PolarHBondContact O-N 2.6Å; P180-L182 VanDerWaalsContact C-N 3.34Å; P180-L182 PolarHBondContact O-N 2.62Å; L182-G186 PolarHBondContact O-N 2.91Å; L182-L187 HydrophobicContact CB-CB 4.29Å; L182-L187 HydrophobicContact CB-CD2 4.01Å; L182-L187 WeakPolarHBondContact O-CB 3.38Å; L182-L187 PolarHBondContact O-N 3.11Å
183	K	95.7	Very high	94.4	Very high	75 Å²	75	45.3 Å²	45.3	33%	0.326	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-44.8	175.5	175.8	66.7	-172.4	-159.7	0	111.4	L179 P180 G186 L224 F225	L179-K183 VanDerWaalsContact O-CB 3.22Å; L179-K183 WeakPolarHBondContact O-CB 3.35Å; L179-K183 PolarHBondContact O-N 2.91Å; P180-K183 WeakPolarHBondContact O-CB 3.32Å; P180-K183 PolarHBondContact O-N 3.34Å; P180-K183 VanDerWaalsContact O-N 3.16Å; K183-G186 WeakPolarHBondContact O-CA 3.38Å; K183-G186 PolarHBondContact O-N 3.29Å; K183-L224 WeakPolarHBondContact CD-O 3.46Å; K183-L224 WeakPolarHBondContact CE-O 3.27Å; K183-L224 HydrophobicContact CG-CB 4.35Å; K183-L224 HydrophobicContact CG-CD2 4.45Å; K183-L224 PolarHBondContact NZ-O 3.21Å; K183-F225 HydrophobicContact CB-CZ 4.35Å; K183-F225 HydrophobicContact CD-CE1 4.02Å; K183-F225 HydrophobicContact CD-CE2 4.47Å; K183-F225 HydrophobicContact CD-CZ 3.96Å
184	E	94.5	Very high	94.5	Very high	156 Å²	156	44.5 Å²	44.5	73%	0.729	22%	0.221	S	C	*	.	H	α-helix	trans	-59.9	-45.8	175.1	-174.3	-167.3	179.4	0	0	111.7	P180 N181 G186	P180-E184 WeakPolarHBondContact O-CB 3.44Å; P180-E184 PolarHBondContact O-N 3.13Å; N181-E184 PolarHBondContact O-N 2.75Å; E184-G186 PolarHBondContact O-N 2.85Å
185	R	94.1	Very high	94.5	Very high	121 Å²	121	41.3 Å²	41.3	46%	0.457	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	3	172.3	-65.6	-61.6	-172.8	175.3	2.4	114.2	T138 V141 V145 N181	T138-R185 HydrophobicContact CG2-CG 3.79Å; V141-R185 HydrophobicContact CG1-CB 4.03Å; V145-R185 WeakPolarHBondContact CB-O 3.47Å; V145-R185 WeakPolarHBondContact CG2-O 3.36Å; N181-R185 WeakPolarHBondContact O-CB 3.37Å; N181-R185 VanDerWaalsContact O-CG 3.25Å; N181-R185 WeakPolarHBondContact O-CG 3.4Å; N181-R185 PolarHBondContact O-N 3.23Å
186	G	92.8	Very high	94.4	Very high	17 Å²	17	41.3 Å²	41.3	18%	0.175	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	20.3	170.6	0	0	0	0	0	115.7	L182 K183 E184 T188	L182-G186 PolarHBondContact O-N 2.91Å; K183-G186 WeakPolarHBondContact O-CA 3.38Å; K183-G186 PolarHBondContact O-N 3.29Å; E184-G186 PolarHBondContact O-N 2.85Å; G186-T188 WeakPolarHBondContact O-CG2 3.45Å; G186-T188 PolarHBondContact O-N 3.1Å
187	L	95.3	Very high	94.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.21	C	C	.	.			trans	-58.6	123.3	167.1	-175.3	66.2	0	0	0	109.4	V141 V166 L168 L182 F225	V141-L187 HydrophobicContact CG1-CB 4.2Å; V166-L187 HydrophobicContact CG1-CD1 4.17Å; L168-L187 HydrophobicContact CB-CD1 3.9Å; L168-L187 HydrophobicContact CB-CD2 3.9Å; L168-L187 HydrophobicContact CD2-CD2 4.17Å; L182-L187 HydrophobicContact CB-CB 4.29Å; L182-L187 HydrophobicContact CB-CD2 4.01Å; L182-L187 WeakPolarHBondContact O-CB 3.38Å; L182-L187 PolarHBondContact O-N 3.11Å; L187-F225 HydrophobicContact CD2-CZ 4.03Å; L187-F225 HydrophobicContact CG-CE1 4.27Å; L187-F225 HydrophobicContact CG-CZ 4.22Å; L187-F225 WeakPolarHBondContact O-CE1 3.45Å
188	T	93.3	Very high	94.4	Very high	47 Å²	47	37.1 Å²	37.1	29%	0.288	19%	0.188	S	C	.	.			trans	-101.9	-28.6	-171.3	63	0	0	0	0	114.1	V166 G186	V166-T188 PolarHBondContact N-OG1 3.27Å; V166-T188 PolarHBondContact O-N 2.84Å; V166-T188 PolarHBondContact O-OG1 2.66Å; G186-T188 WeakPolarHBondContact O-CG2 3.45Å; G186-T188 PolarHBondContact O-N 3.1Å
189	H	93.7	Very high	94.3	Very high	45 Å²	45	37.9 Å²	37.9	21%	0.208	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.9	-176.5	-61.8	65.6	0	0	0	110.8	K165 V166 A167 L168	K165-H189 WeakPolarHBondContact CD-CE1 3.3Å; K165-H189 PolarHBondContact NZ-NE2 2.82Å; K165-H189 VanDerWaalsContact NZ-NE2 3.1Å; V166-H189 PolarHBondContact O-N 2.9Å; A167-H189 VanDerWaalsContact CA-O 3.22Å; A167-H189 WeakPolarHBondContact CA-O 3.47Å; A167-H189 HydrophobicContact CB-CB 3.89Å; L168-H189 PolarHBondContact N-O 2.91Å
190	L	94.8	Very high	94	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.9	175.5	-179.8	62.7	0	0	0	111.2	L168 L175 L179 L192 A221 V228 K229	L168-L190 HydrophobicContact CB-CD1 4.08Å; L168-L190 HydrophobicContact CD2-CD1 4.41Å; L168-L190 HydrophobicContact CG-CD1 4.42Å; L175-L190 HydrophobicContact CD2-CD1 3.66Å; L175-L190 HydrophobicContact CD2-CD2 4.39Å; L179-L190 HydrophobicContact CD1-CD2 4.37Å; L179-L190 HydrophobicContact CD2-CD2 3.84Å; L190-L192 HydrophobicContact CD1-CD2 4.23Å; L190-L192 HydrophobicContact CD2-CD1 4.07Å; L190-L192 HydrophobicContact CD2-CD2 4.07Å; L190-L192 HydrophobicContact CD2-CG 3.92Å; L190-L192 HydrophobicContact CG-CD2 4.3Å; L190-L192 HydrophobicContact CG-CG 4.09Å; L190-A221 HydrophobicContact CD2-CB 3.61Å; L190-V228 HydrophobicContact CD2-CG1 4.4Å; L190-K229 WeakPolarHBondContact O-CB 3.34Å; L190-K229 PolarHBondContact O-N 2.7Å; L190-K229 VanDerWaalsContact O-N 3.13Å
191	N	94	Very high	93.6	Very high	5 Å²	5	41 Å²	41	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.3	158.1	-74.9	67.3	0	0	0	109.5	R125 L168 T169 S170 K229 N231	R125-N191 VanDerWaalsContact NH1-CG 3.31Å; R125-N191 PolarHBondContact NH1-OD1 3.03Å; R125-N191 PolarHBondContact NH2-OD1 3.35Å; L168-N191 PolarHBondContact O-N 3.08Å; T169-N191 VanDerWaalsContact CA-O 3.31Å; T169-N191 WeakPolarHBondContact CA-O 3.35Å; T169-N191 HydrophobicContact CG2-CB 3.91Å; S170-N191 PolarHBondContact N-O 3.25Å; N191-K229 CarbonylContact C-O 3.59Å; N191-K229 VanDerWaalsContact CA-O 3.27Å; N191-K229 WeakPolarHBondContact CA-O 3.2Å; N191-K229 HydrophobicContact CB-CB 4.26Å; N191-K229 VanDerWaalsContact CG-CB 3.47Å; N191-K229 VanDerWaalsContact ND2-CB 3.31Å; N191-K229 WeakPolarHBondContact ND2-CB 3.46Å; N191-K229 WeakPolarHBondContact OD1-CD 3.45Å; N191-N231 PolarHBondContact ND2-OD1 3.26Å
192	L	94.6	Very high	93.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.3	168.8	-65.4	171.1	0	0	0	108.7	S170 L175 L190 T217 I218 V228 K229 I230 N231	S170-L192 CarbonylContact O-C 3.6Å; S170-L192 WeakPolarHBondContact O-CA 3.44Å; L175-L192 HydrophobicContact CD2-CD2 3.83Å; L190-L192 HydrophobicContact CD1-CD2 4.23Å; L190-L192 HydrophobicContact CD2-CD1 4.07Å; L190-L192 HydrophobicContact CD2-CD2 4.07Å; L190-L192 HydrophobicContact CD2-CG 3.92Å; L190-L192 HydrophobicContact CG-CD2 4.3Å; L190-L192 HydrophobicContact CG-CG 4.09Å; L192-T217 HydrophobicContact CD1-CG2 4.28Å; L192-T217 HydrophobicContact CD2-CG2 4.15Å; L192-I218 HydrophobicContact CD1-CB 4.33Å; L192-I218 HydrophobicContact CD1-CG1 3.51Å; L192-V228 HydrophobicContact CD1-CG1 4.12Å; L192-K229 PolarHBondContact N-O 2.94Å; L192-I230 CarbonylContact O-C 3.44Å; L192-I230 WeakPolarHBondContact O-CA 3.17Å; L192-N231 PolarHBondContact O-N 3.15Å
193	S	90.6	Very high	92.5	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.7	167.5	-70	0	0	0	0	109.5	S170	S170-S193 PolarHBondContact O-N 2.91Å
194	L	93.5	Very high	91.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.			trans	-152.1	103.6	173.5	179.2	68.2	0	0	0	107.9	T196 L197 F202 V214 W215 I218 I230 N231 F246	L194-T196 VanDerWaalsContact CD1-O 3.26Å; L194-T196 WeakPolarHBondContact CD1-O 3Å; L194-T196 WeakPolarHBondContact CG-O 3.43Å; L194-L197 HydrophobicContact CD2-CD2 4.21Å; L194-F202 HydrophobicContact CD1-CD2 3.72Å; L194-F202 HydrophobicContact CD1-CE2 3.84Å; L194-V214 HydrophobicContact CB-CG1 4.44Å; L194-V214 HydrophobicContact CD1-CG1 4.18Å; L194-W215 HydrophobicContact CD2-CE3 4.28Å; L194-W215 HydrophobicContact CD2-CZ3 4.38Å; L194-I218 HydrophobicContact CD2-CD1 3.72Å; L194-I230 HydrophobicContact CB-CG2 4.05Å; L194-N231 PolarHBondContact N-O 3.37Å; L194-F246 WeakPolarHBondContact O-CE1 3.25Å; L194-F246 VanDerWaalsContact O-CZ 3.29Å; L194-F246 WeakPolarHBondContact O-CZ 3.47Å
195	D	92.1	Very high	90.9	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	18%	0.178	C	C	.	.			trans	-95.4	0.2	-173.3	-35.6	-94	0	0	0	113.2	M205 C232 V233 N239	D195-M205 HydrophobicContact CB-CE 3.75Å; D195-M205 HydrophobicContact CB-SD 3.81Å; D195-M205 WeakPolarHBondContact OD2-CE 3.28Å; D195-C232 WeakPolarHBondContact OD1-CA 3.34Å; D195-V233 PolarHBondContact OD1-N 3.06Å; D195-N239 PolarHBondContact O-ND2 3.15Å
196	T	93.6	Very high	90	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.			trans	-154.3	144.4	173.2	175.3	0	0	0	0	111.6	L194 I198 K201 F202 M205 W211 E242	L194-T196 VanDerWaalsContact CD1-O 3.26Å; L194-T196 WeakPolarHBondContact CD1-O 3Å; L194-T196 WeakPolarHBondContact CG-O 3.43Å; T196-I198 PolarHBondContact OG1-N 3.43Å; T196-I198 VanDerWaalsContact OG1-N 3.09Å; T196-K201 HydrophobicContact CG2-CB 3.81Å; T196-F202 HydrophobicContact CG2-CB 3.86Å; T196-F202 VanDerWaalsContact CG2-N 3.35Å; T196-M205 HydrophobicContact CG2-CE 3.92Å; T196-M205 HydrophobicContact CG2-SD 4.46Å; T196-W211 PolarHBondContact O-NE1 2.95Å; T196-E242 WeakPolarHBondContact CA-OE1 3.08Å; T196-E242 WeakPolarHBondContact CB-OE2 3.48Å; T196-E242 PolarHBondContact OG1-OE1 3.06Å; T196-E242 PolarHBondContact OG1-OE2 3.12Å
197	L	95.8	Very high	89.1	Confident	36 Å²	36	33 Å²	33	19%	0.188	17%	0.166	C	C	.	.	S	Bend	trans	-86.7	-9.5	173.3	-55.2	-175.8	0	0	0	112.2	L194 W211 W215 E242 D245 F246 L249	L194-L197 HydrophobicContact CD2-CD2 4.21Å; L197-W211 WeakPolarHBondContact O-CZ2 3.35Å; L197-W211 PolarHBondContact O-NE1 3.15Å; L197-W215 HydrophobicContact CD2-CZ3 4.06Å; L197-E242 PolarHBondContact N-OE1 2.91Å; L197-D245 HydrophobicContact CD1-CB 4.24Å; L197-F246 HydrophobicContact CD1-CD1 4.46Å; L197-F246 HydrophobicContact CD1-CD2 4.4Å; L197-F246 HydrophobicContact CD1-CG 4.3Å; L197-F246 HydrophobicContact CD2-CD1 3.95Å; L197-F246 HydrophobicContact CD2-CE1 3.52Å; L197-F246 HydrophobicContact CD2-CE2 4.28Å; L197-F246 HydrophobicContact CD2-CG 4.49Å; L197-F246 HydrophobicContact CD2-CZ 3.71Å; L197-F246 HydrophobicContact CG-CD1 4.26Å; L197-F246 HydrophobicContact CG-CD2 4.15Å; L197-F246 HydrophobicContact CG-CE1 4.05Å; L197-F246 HydrophobicContact CG-CE2 3.93Å; L197-F246 HydrophobicContact CG-CG 4.31Å; L197-F246 HydrophobicContact CG-CZ 3.87Å; L197-L249 HydrophobicContact CD1-CD1 3.69Å; L197-L249 HydrophobicContact CD1-CG 4.17Å; L197-L249 HydrophobicContact CD2-CD1 3.57Å; L197-L249 HydrophobicContact CG-CD1 4.3Å
198	I	93.9	Very high	88.1	Confident	69 Å²	69	34.7 Å²	34.7	35%	0.354	18%	0.177	S	C	.	.			trans	-96.2	118.3	-178.2	-61.3	173.2	0	0	0	109.7	T196 T200 K201 F202 E242	T196-I198 PolarHBondContact OG1-N 3.43Å; T196-I198 VanDerWaalsContact OG1-N 3.09Å; I198-T200 VanDerWaalsContact C-N 3.31Å; I198-T200 WeakPolarHBondContact CG2-OG1 3.11Å; I198-T200 PolarHBondContact O-N 3.42Å; I198-K201 HydrophobicContact CB-CB 4.18Å; I198-K201 HydrophobicContact CB-CD 4.14Å; I198-K201 HydrophobicContact CB-CG 4.15Å; I198-K201 HydrophobicContact CD1-CD 4.08Å; I198-K201 HydrophobicContact CG2-CB 4.34Å; I198-K201 HydrophobicContact CG2-CG 4.1Å; I198-K201 PolarHBondContact O-N 3.03Å; I198-F202 PolarHBondContact O-N 3.02Å; I198-E242 HydrophobicContact CD1-CG 4.27Å
199	E	93	Very high	87.6	Confident	63 Å²	63	38.3 Å²	38.3	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-59.5	-35.4	-174.4	177.1	165.8	-135.8	0	0	113.8	F202 Q203 W211 K212	E199-F202 WeakPolarHBondContact O-CB 3.45Å; E199-F202 PolarHBondContact O-N 2.74Å; E199-Q203 PolarHBondContact O-N 3.26Å; E199-W211 HydrophobicContact CB-CB 4.08Å; E199-W211 HydrophobicContact CB-CD2 4.15Å; E199-W211 HydrophobicContact CB-CE3 4.31Å; E199-W211 HydrophobicContact CB-CG 4.04Å; E199-W211 HydrophobicContact CG-CB 3.84Å; E199-W211 HydrophobicContact CG-CG 4.34Å; E199-K212 WeakPolarHBondContact OE1-CG 3.49Å; E199-K212 IonicContact OE1-NZ 2.75Å; E199-K212 PolarHBondContact OE1-NZ 2.72Å; E199-K212 IonicContact OE2-NZ 2.82Å; E199-K212 PolarHBondContact OE2-NZ 2.93Å
200	T	90.2	Very high	87.3	Confident	95 Å²	95	36.3 Å²	36.3	58%	0.583	19%	0.185	S	C	*	.	H	α-helix	trans	-70	-46.1	176.9	52.6	0	0	0	0	112	I198 F202 Q203 I204	I198-T200 VanDerWaalsContact C-N 3.31Å; I198-T200 WeakPolarHBondContact CG2-OG1 3.11Å; I198-T200 PolarHBondContact O-N 3.42Å; T200-F202 VanDerWaalsContact C-N 3.28Å; T200-F202 PolarHBondContact O-N 3.38Å; T200-Q203 PolarHBondContact O-N 2.9Å; T200-Q203 VanDerWaalsContact O-N 3.15Å; T200-I204 WeakPolarHBondContact O-CG1 3.31Å; T200-I204 PolarHBondContact O-N 3.1Å
201	K	87.4	Confident	87.2	Confident	30 Å²	30	38.3 Å²	38.3	13%	0.13	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-42.6	171.8	-71.9	-173.6	-173.8	-180	0	110.8	T196 I198 Q203 I204 M205 F238 D241 E242	T196-K201 HydrophobicContact CG2-CB 3.81Å; I198-K201 HydrophobicContact CB-CB 4.18Å; I198-K201 HydrophobicContact CB-CD 4.14Å; I198-K201 HydrophobicContact CB-CG 4.15Å; I198-K201 HydrophobicContact CD1-CD 4.08Å; I198-K201 HydrophobicContact CG2-CB 4.34Å; I198-K201 HydrophobicContact CG2-CG 4.1Å; I198-K201 PolarHBondContact O-N 3.03Å; K201-Q203 PolarHBondContact O-N 3.14Å; K201-I204 PolarHBondContact O-N 2.76Å; K201-M205 WeakPolarHBondContact O-CB 3.42Å; K201-M205 PolarHBondContact O-N 3.41Å; K201-F238 HydrophobicContact CB-CE2 4.16Å; K201-F238 HydrophobicContact CB-CZ 3.74Å; K201-F238 HydrophobicContact CD-CE2 4.41Å; K201-F238 HydrophobicContact CD-CZ 4.4Å; K201-F238 WeakPolarHBondContact CD-O 3.34Å; K201-F238 WeakPolarHBondContact CE-O 3.39Å; K201-F238 HydrophobicContact CG-CE2 4.1Å; K201-F238 HydrophobicContact CG-CZ 4.15Å; K201-F238 PolarHBondContact NZ-O 2.93Å; K201-D241 IonicContact NZ-OD1 3.2Å; K201-D241 PolarHBondContact NZ-OD1 3.28Å; K201-D241 IonicContact NZ-OD2 2.86Å; K201-D241 PolarHBondContact NZ-OD2 2.67Å; K201-E242 WeakPolarHBondContact CD-OE2 3.3Å; K201-E242 WeakPolarHBondContact CE-OE2 3.4Å; K201-E242 IonicContact NZ-OE2 2.98Å; K201-E242 PolarHBondContact NZ-OE2 2.6Å
202	F	86.4	Confident	87.4	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.022	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-44.6	175.9	-178.9	-80.8	0	0	0	112	I173 L194 T196 I198 E199 T200 M205 T206 W211 V214	I173-F202 HydrophobicContact CD1-CZ 4.35Å; L194-F202 HydrophobicContact CD1-CD2 3.72Å; L194-F202 HydrophobicContact CD1-CE2 3.84Å; T196-F202 HydrophobicContact CG2-CB 3.86Å; T196-F202 VanDerWaalsContact CG2-N 3.35Å; I198-F202 PolarHBondContact O-N 3.02Å; E199-F202 WeakPolarHBondContact O-CB 3.45Å; E199-F202 PolarHBondContact O-N 2.74Å; T200-F202 VanDerWaalsContact C-N 3.28Å; T200-F202 PolarHBondContact O-N 3.38Å; F202-M205 HydrophobicContact CD2-CE 4.37Å; F202-M205 PolarHBondContact O-N 2.98Å; F202-T206 HydrophobicContact CD1-CG2 4.23Å; F202-T206 HydrophobicContact CD2-CG2 4.2Å; F202-T206 HydrophobicContact CE1-CG2 3.96Å; F202-T206 VanDerWaalsContact CE1-OG1 3.3Å; F202-T206 WeakPolarHBondContact CE1-OG1 2.91Å; F202-T206 HydrophobicContact CE2-CG2 3.97Å; F202-T206 HydrophobicContact CG-CG2 4.34Å; F202-T206 HydrophobicContact CZ-CG2 3.84Å; F202-T206 WeakPolarHBondContact O-CB 3.23Å; F202-T206 WeakPolarHBondContact O-CG2 3.44Å; F202-T206 PolarHBondContact O-N 3.38Å; F202-T206 PolarHBondContact O-OG1 3.44Å; F202-W211 HydrophobicContact CB-CB 4.13Å; F202-W211 HydrophobicContact CB-CG 4.27Å; F202-W211 HydrophobicContact CD1-CB 3.88Å; F202-W211 HydrophobicContact CD2-CB 4.38Å; F202-W211 AromaticContact CD2-CD1 3.79Å; F202-W211 HydrophobicContact CD2-CG 4.5Å; F202-W211 HydrophobicContact CE1-CB 4.43Å; F202-W211 HydrophobicContact CG-CB 3.87Å; F202-W211 AromaticContact CG-CD1 3.79Å; F202-W211 HydrophobicContact CG-CG 4.26Å; F202-V214 HydrophobicContact CE2-CG2 4.05Å; F202-V214 HydrophobicContact CZ-CG2 3.82Å
203	Q	82.9	Confident	87.4	Confident	92 Å²	92	51.8 Å²	51.8	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-42.1	179.6	-176.9	175	-19.1	0	0	112	E199 T200 K201 R207 I209	E199-Q203 PolarHBondContact O-N 3.26Å; T200-Q203 PolarHBondContact O-N 2.9Å; T200-Q203 VanDerWaalsContact O-N 3.15Å; K201-Q203 PolarHBondContact O-N 3.14Å; Q203-R207 WeakPolarHBondContact O-CA 3.46Å; Q203-R207 PolarHBondContact O-N 3.17Å; Q203-I209 HydrophobicContact CG-CG1 4.39Å
204	I	79.7	Confident	87.6	Confident	89 Å²	89	51.3 Å²	51.3	46%	0.456	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-50.6	174.5	-63.3	163.7	0	0	0	110.1	I78 T200 K201	I78-I204 HydrophobicContact CD1-CG2 3.54Å; T200-I204 WeakPolarHBondContact O-CG1 3.31Å; T200-I204 PolarHBondContact O-N 3.1Å; K201-I204 PolarHBondContact O-N 2.76Å
205	M	78	Confident	87.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-44.7	-175.1	173.5	170.9	86.5	0	0	113.8	S59 A60 I78 V80 D195 T196 K201 F202 F238	S59-M205 WeakPolarHBondContact CA-O 3.48Å; A60-M205 PolarHBondContact N-O 2.82Å; I78-M205 HydrophobicContact CG2-CB 3.65Å; I78-M205 HydrophobicContact CG2-CG 3.63Å; I78-M205 HydrophobicContact CG2-SD 4.34Å; V80-M205 HydrophobicContact CG2-CE 4.48Å; V80-M205 HydrophobicContact CG2-CG 3.28Å; V80-M205 HydrophobicContact CG2-SD 4.08Å; D195-M205 HydrophobicContact CB-CE 3.75Å; D195-M205 HydrophobicContact CB-SD 3.81Å; D195-M205 WeakPolarHBondContact OD2-CE 3.28Å; T196-M205 HydrophobicContact CG2-CE 3.92Å; T196-M205 HydrophobicContact CG2-SD 4.46Å; K201-M205 WeakPolarHBondContact O-CB 3.42Å; K201-M205 PolarHBondContact O-N 3.41Å; F202-M205 HydrophobicContact CD2-CE 4.37Å; F202-M205 PolarHBondContact O-N 2.98Å; M205-F238 HydrophobicContact CB-CE1 4.31Å; M205-F238 HydrophobicContact CB-CZ 4.09Å; M205-F238 HydrophobicContact SD-CE1 4Å
206	T	75.1	Confident	88.1	Confident	2 Å²	2	57 Å²	57	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-99	-10.4	-172.5	66.8	0	0	0	0	113.9	L57 R58 F202 S208	L57-T206 HydrophobicContact CD1-CG2 3.97Å; R58-T206 PolarHBondContact N-O 3.42Å; F202-T206 HydrophobicContact CD1-CG2 4.23Å; F202-T206 HydrophobicContact CD2-CG2 4.2Å; F202-T206 HydrophobicContact CE1-CG2 3.96Å; F202-T206 VanDerWaalsContact CE1-OG1 3.3Å; F202-T206 WeakPolarHBondContact CE1-OG1 2.91Å; F202-T206 HydrophobicContact CE2-CG2 3.97Å; F202-T206 HydrophobicContact CG-CG2 4.34Å; F202-T206 HydrophobicContact CZ-CG2 3.84Å; F202-T206 WeakPolarHBondContact O-CB 3.23Å; F202-T206 WeakPolarHBondContact O-CG2 3.44Å; F202-T206 PolarHBondContact O-N 3.38Å; F202-T206 PolarHBondContact O-OG1 3.44Å; T206-S208 PolarHBondContact O-N 3.08Å; T206-S208 PolarHBondContact OG1-N 3.05Å; T206-S208 PolarHBondContact OG1-O 3.35Å
207	R	73.2	Confident	88.3	Confident	97 Å²	97	57.2 Å²	57.2	37%	0.366	27%	0.272	S	S	.	.	S	Bend	trans	53.7	32.9	-168.5	-55.6	-169.2	-176.5	123.9	-15.1	113.5	R58 Q203	R58-R207 WeakPolarHBondContact O-CD 3.36Å; R58-R207 VanDerWaalsContact O-CG 3.32Å; R58-R207 WeakPolarHBondContact O-CG 3.19Å; R58-R207 PolarHBondContact O-NH1 3.42Å; Q203-R207 WeakPolarHBondContact O-CA 3.46Å; Q203-R207 PolarHBondContact O-N 3.17Å
208	S	74.3	Confident	88.4	Confident	36 Å²	36	55.5 Å²	55.5	25%	0.252	26%	0.263	S	S	.	.	S	Bend	trans	-146.6	138.9	-174.5	-169.4	0	0	0	0	113.7	L57 T206 G210	L57-S208 VanDerWaalsContact CD2-CB 3.41Å; T206-S208 PolarHBondContact O-N 3.08Å; T206-S208 PolarHBondContact OG1-N 3.05Å; T206-S208 PolarHBondContact OG1-O 3.35Å; S208-G210 VanDerWaalsContact C-N 3.28Å; S208-G210 PolarHBondContact O-N 3.27Å
209	I	82.9	Confident	88.5	Confident	123 Å²	123	55.3 Å²	55.3	63%	0.631	26%	0.26	S	S	*	.	S	Bend	trans	-79.8	80	172.4	-55.2	176.5	0	0	0	108.2	Q203	Q203-I209 HydrophobicContact CG-CG1 4.39Å
210	G	87.6	Confident	88.7	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	26%	0.256	C	S	.	.			trans	-123.1	-19.6	-172.1	0	0	0	0	0	116.2	S208 K212 R213 V214	S208-G210 VanDerWaalsContact C-N 3.28Å; S208-G210 PolarHBondContact O-N 3.27Å; G210-K212 PolarHBondContact O-N 3.26Å; G210-R213 WeakPolarHBondContact O-CA 3.48Å; G210-R213 WeakPolarHBondContact O-CB 3.4Å; G210-R213 PolarHBondContact O-N 3.1Å; G210-V214 PolarHBondContact O-N 2.63Å
211	W	93.6	Very high	89.1	Confident	44 Å²	44	49.7 Å²	49.7	17%	0.167	23%	0.229	C	C	.	.	H	α-helix	trans	-52	-53	-164.1	-171.7	88.4	0	0	0	113.8	T196 L197 E199 F202 R213 V214 W215	T196-W211 PolarHBondContact O-NE1 2.95Å; L197-W211 WeakPolarHBondContact O-CZ2 3.35Å; L197-W211 PolarHBondContact O-NE1 3.15Å; E199-W211 HydrophobicContact CB-CB 4.08Å; E199-W211 HydrophobicContact CB-CD2 4.15Å; E199-W211 HydrophobicContact CB-CE3 4.31Å; E199-W211 HydrophobicContact CB-CG 4.04Å; E199-W211 HydrophobicContact CG-CB 3.84Å; E199-W211 HydrophobicContact CG-CG 4.34Å; F202-W211 HydrophobicContact CB-CB 4.13Å; F202-W211 HydrophobicContact CB-CG 4.27Å; F202-W211 HydrophobicContact CD1-CB 3.88Å; F202-W211 HydrophobicContact CD2-CB 4.38Å; F202-W211 AromaticContact CD2-CD1 3.79Å; F202-W211 HydrophobicContact CD2-CG 4.5Å; F202-W211 HydrophobicContact CE1-CB 4.43Å; F202-W211 HydrophobicContact CG-CB 3.87Å; F202-W211 AromaticContact CG-CD1 3.79Å; F202-W211 HydrophobicContact CG-CG 4.26Å; W211-R213 PolarHBondContact O-N 2.81Å; W211-R213 VanDerWaalsContact O-N 3.14Å; W211-V214 WeakPolarHBondContact O-CB 3.41Å; W211-V214 PolarHBondContact O-N 3.5Å; W211-W215 HydrophobicContact CE3-CB 4.4Å; W211-W215 HydrophobicContact CH2-CB 4.19Å; W211-W215 AromaticContact CH2-CD2 3.91Å; W211-W215 HydrophobicContact CH2-CD2 3.91Å; W211-W215 HydrophobicContact CH2-CE3 4.03Å; W211-W215 AromaticContact CH2-CG 3.95Å; W211-W215 HydrophobicContact CH2-CG 3.95Å; W211-W215 HydrophobicContact CZ2-CD2 4.1Å; W211-W215 AromaticContact CZ2-CE3 3.72Å; W211-W215 HydrophobicContact CZ2-CE3 3.72Å; W211-W215 HydrophobicContact CZ2-CG 4.43Å; W211-W215 HydrophobicContact CZ2-CZ3 4.37Å; W211-W215 HydrophobicContact CZ3-CB 4.13Å; W211-W215 HydrophobicContact CZ3-CG 4.25Å; W211-W215 PolarHBondContact O-N 3.13Å
212	K	96.6	Very high	89.5	Confident	128 Å²	128	49.8 Å²	49.8	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-57.5	-30	178.4	-67.2	-177.5	-178.5	89.1	0	113.8	E199 G210 N216	E199-K212 WeakPolarHBondContact OE1-CG 3.49Å; E199-K212 IonicContact OE1-NZ 2.75Å; E199-K212 PolarHBondContact OE1-NZ 2.72Å; E199-K212 IonicContact OE2-NZ 2.82Å; E199-K212 PolarHBondContact OE2-NZ 2.93Å; G210-K212 PolarHBondContact O-N 3.26Å; K212-N216 WeakPolarHBondContact O-CB 3.42Å; K212-N216 PolarHBondContact O-N 3.18Å
213	R	95.9	Very high	90	Very high	160 Å²	160	57.7 Å²	57.7	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-75.5	-36.7	176.2	-60.6	179.7	178.1	168.9	1.6	111.9	G210 W211 T217	G210-R213 WeakPolarHBondContact O-CA 3.48Å; G210-R213 WeakPolarHBondContact O-CB 3.4Å; G210-R213 PolarHBondContact O-N 3.1Å; W211-R213 PolarHBondContact O-N 2.81Å; W211-R213 VanDerWaalsContact O-N 3.14Å; R213-T217 WeakPolarHBondContact O-CB 3.46Å; R213-T217 PolarHBondContact O-N 3.16Å; R213-T217 VanDerWaalsContact O-N 3.1Å; R213-T217 PolarHBondContact O-OG1 2.76Å
214	V	95	Very high	90.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-44.8	172.7	-173.5	0	0	0	0	110.1	N171 I173 L194 F202 G210 W211 T217 I218	N171-V214 WeakPolarHBondContact O-CG1 3.4Å; N171-V214 WeakPolarHBondContact O-CG2 3.18Å; I173-V214 HydrophobicContact CG1-CG2 3.6Å; L194-V214 HydrophobicContact CB-CG1 4.44Å; L194-V214 HydrophobicContact CD1-CG1 4.18Å; F202-V214 HydrophobicContact CE2-CG2 4.05Å; F202-V214 HydrophobicContact CZ-CG2 3.82Å; G210-V214 PolarHBondContact O-N 2.63Å; W211-V214 WeakPolarHBondContact O-CB 3.41Å; W211-V214 PolarHBondContact O-N 3.5Å; V214-T217 CarbonylContact O-C 3.5Å; V214-T217 WeakPolarHBondContact O-CA 3.36Å; V214-T217 WeakPolarHBondContact O-CB 3.31Å; V214-T217 PolarHBondContact O-N 2.77Å; V214-T217 VanDerWaalsContact O-N 3.07Å; V214-I218 PolarHBondContact O-N 2.95Å
215	W	96.8	Very high	91.4	Very high	41 Å²	41	52 Å²	52	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-51.2	178.2	-166.8	-93.8	0	0	0	112.9	L194 L197 W211 T217 I218 E219 L249	L194-W215 HydrophobicContact CD2-CE3 4.28Å; L194-W215 HydrophobicContact CD2-CZ3 4.38Å; L197-W215 HydrophobicContact CD2-CZ3 4.06Å; W211-W215 HydrophobicContact CE3-CB 4.4Å; W211-W215 HydrophobicContact CH2-CB 4.19Å; W211-W215 AromaticContact CH2-CD2 3.91Å; W211-W215 HydrophobicContact CH2-CD2 3.91Å; W211-W215 HydrophobicContact CH2-CE3 4.03Å; W211-W215 AromaticContact CH2-CG 3.95Å; W211-W215 HydrophobicContact CH2-CG 3.95Å; W211-W215 HydrophobicContact CZ2-CD2 4.1Å; W211-W215 AromaticContact CZ2-CE3 3.72Å; W211-W215 HydrophobicContact CZ2-CE3 3.72Å; W211-W215 HydrophobicContact CZ2-CG 4.43Å; W211-W215 HydrophobicContact CZ2-CZ3 4.37Å; W211-W215 HydrophobicContact CZ3-CB 4.13Å; W211-W215 HydrophobicContact CZ3-CG 4.25Å; W211-W215 PolarHBondContact O-N 3.13Å; W215-T217 PolarHBondContact O-N 3.18Å; W215-I218 HydrophobicContact CE3-CD1 4.1Å; W215-I218 HydrophobicContact CZ3-CD1 4.36Å; W215-I218 WeakPolarHBondContact O-CA 3.42Å; W215-I218 WeakPolarHBondContact O-CB 3.18Å; W215-I218 PolarHBondContact O-N 3.06Å; W215-E219 PolarHBondContact NE1-OE1 2.91Å; W215-E219 PolarHBondContact O-N 3.14Å; W215-L249 HydrophobicContact CH2-CD1 3.78Å; W215-L249 HydrophobicContact CH2-CD2 3.82Å; W215-L249 HydrophobicContact CH2-CG 4.48Å; W215-L249 HydrophobicContact CZ3-CD1 4.08Å
216	N	97.7	Very high	92.1	Very high	84 Å²	84	57.4 Å²	57.4	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-31	173	173	82.3	0	0	0	112.5	K212 E219 I220	K212-N216 WeakPolarHBondContact O-CB 3.42Å; K212-N216 PolarHBondContact O-N 3.18Å; N216-E219 PolarHBondContact O-N 3.3Å; N216-I220 WeakPolarHBondContact ND2-CD1 3.42Å; N216-I220 VanDerWaalsContact O-CG1 3.29Å; N216-I220 WeakPolarHBondContact O-CG1 3.35Å; N216-I220 PolarHBondContact O-N 3Å
217	T	97.8	Very high	92.9	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-71.8	-33.6	174.8	-64	0	0	0	0	112.6	G172 L175 G176 L179 L192 R213 V214 W215 A221	G172-T217 WeakPolarHBondContact O-CB 3.3Å; G172-T217 PolarHBondContact O-OG1 2.88Å; L175-T217 HydrophobicContact CB-CG2 4.05Å; L175-T217 HydrophobicContact CG-CG2 4.24Å; G176-T217 VanDerWaalsContact CA-OG1 3.26Å; G176-T217 WeakPolarHBondContact CA-OG1 3.44Å; G176-T217 PolarHBondContact N-OG1 3.06Å; G176-T217 VanDerWaalsContact N-OG1 3.11Å; L179-T217 HydrophobicContact CD1-CG2 3.89Å; L192-T217 HydrophobicContact CD1-CG2 4.28Å; L192-T217 HydrophobicContact CD2-CG2 4.15Å; R213-T217 WeakPolarHBondContact O-CB 3.46Å; R213-T217 PolarHBondContact O-N 3.16Å; R213-T217 VanDerWaalsContact O-N 3.1Å; R213-T217 PolarHBondContact O-OG1 2.76Å; V214-T217 CarbonylContact O-C 3.5Å; V214-T217 WeakPolarHBondContact O-CA 3.36Å; V214-T217 WeakPolarHBondContact O-CB 3.31Å; V214-T217 PolarHBondContact O-N 2.77Å; V214-T217 VanDerWaalsContact O-N 3.07Å; W215-T217 PolarHBondContact O-N 3.18Å; T217-A221 VanDerWaalsContact O-CB 3.28Å; T217-A221 WeakPolarHBondContact O-CB 3.42Å; T217-A221 PolarHBondContact O-N 2.98Å
218	I	97.6	Very high	93.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-47.8	169.3	-63.9	164.1	0	0	0	109.3	L192 L194 V214 W215 I220 A221 E222 I230 L255	L192-I218 HydrophobicContact CD1-CB 4.33Å; L192-I218 HydrophobicContact CD1-CG1 3.51Å; L194-I218 HydrophobicContact CD2-CD1 3.72Å; V214-I218 PolarHBondContact O-N 2.95Å; W215-I218 HydrophobicContact CE3-CD1 4.1Å; W215-I218 HydrophobicContact CZ3-CD1 4.36Å; W215-I218 WeakPolarHBondContact O-CA 3.42Å; W215-I218 WeakPolarHBondContact O-CB 3.18Å; W215-I218 PolarHBondContact O-N 3.06Å; I218-I220 VanDerWaalsContact C-N 3.32Å; I218-I220 PolarHBondContact O-N 3.32Å; I218-A221 CarbonylContact O-C 3.49Å; I218-A221 WeakPolarHBondContact O-CA 3.28Å; I218-A221 WeakPolarHBondContact O-CB 3.18Å; I218-A221 PolarHBondContact O-N 3.2Å; I218-E222 HydrophobicContact CG2-CG 4.28Å; I218-E222 WeakPolarHBondContact O-CG 3.12Å; I218-E222 PolarHBondContact O-N 3.36Å; I218-I230 HydrophobicContact CD1-CD1 3.92Å; I218-I230 HydrophobicContact CG1-CD1 4.46Å; I218-I230 HydrophobicContact CG2-CD1 4.4Å; I218-L255 HydrophobicContact CG2-CD2 3.98Å
219	E	97.3	Very high	94.9	Very high	65 Å²	65	53.9 Å²	53.9	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-66.7	-27.3	-178.4	-76.3	176.8	168.8	0	0	114.7	W215 N216 E222 K223 R253	W215-E219 PolarHBondContact NE1-OE1 2.91Å; W215-E219 PolarHBondContact O-N 3.14Å; N216-E219 PolarHBondContact O-N 3.3Å; E219-E222 WeakPolarHBondContact CA-OE2 3.26Å; E219-K223 VanDerWaalsContact O-CD 3.3Å; E219-K223 WeakPolarHBondContact O-CD 3.49Å; E219-K223 VanDerWaalsContact O-CE 3.23Å; E219-K223 WeakPolarHBondContact O-CE 3.47Å; E219-K223 WeakPolarHBondContact O-CG 3.16Å; E219-R253 IonicContact OE1-NH1 2.7Å; E219-R253 IonicContact OE1-NH2 2.86Å; E219-R253 PolarHBondContact OE1-NH2 3.41Å
220	I	97.7	Very high	95.5	Very high	41 Å²	41	48 Å²	48	21%	0.21	23%	0.226	C	C	.	.	H	α-helix	trans	-75	-42.4	167.7	-68.7	166.5	0	0	0	110.1	L179 N216 I218 E222 K223 L224	L179-I220 HydrophobicContact CB-CG2 4.02Å; L179-I220 HydrophobicContact CD1-CB 4.22Å; L179-I220 HydrophobicContact CD1-CG2 3.81Å; N216-I220 WeakPolarHBondContact ND2-CD1 3.42Å; N216-I220 VanDerWaalsContact O-CG1 3.29Å; N216-I220 WeakPolarHBondContact O-CG1 3.35Å; N216-I220 PolarHBondContact O-N 3Å; I218-I220 VanDerWaalsContact C-N 3.32Å; I218-I220 PolarHBondContact O-N 3.32Å; I220-E222 PolarHBondContact O-N 3.08Å; I220-K223 PolarHBondContact O-N 2.8Å; I220-L224 HydrophobicContact CG2-CD1 3.83Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 2.95Å
221	A	97.7	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-178.8	0	0	0	0	0	113.2	L179 L190 T217 I218 K223 L224 F225 V228	L179-A221 HydrophobicContact CD1-CB 3.82Å; L190-A221 HydrophobicContact CD2-CB 3.61Å; T217-A221 VanDerWaalsContact O-CB 3.28Å; T217-A221 WeakPolarHBondContact O-CB 3.42Å; T217-A221 PolarHBondContact O-N 2.98Å; I218-A221 CarbonylContact O-C 3.49Å; I218-A221 WeakPolarHBondContact O-CA 3.28Å; I218-A221 WeakPolarHBondContact O-CB 3.18Å; I218-A221 PolarHBondContact O-N 3.2Å; A221-K223 PolarHBondContact O-N 2.65Å; A221-L224 CarbonylContact O-C 3.52Å; A221-L224 PolarHBondContact O-N 2.7Å; A221-F225 HydrophobicContact CB-CD2 4.3Å; A221-F225 WeakPolarHBondContact O-CD2 3.22Å; A221-F225 PolarHBondContact O-N 3.32Å; A221-V228 HydrophobicContact CB-CG1 4.05Å; A221-V228 HydrophobicContact CB-CG2 3.6Å
222	E	96.5	Very high	95.8	Very high	32 Å²	32	46 Å²	46	15%	0.15	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-20.9	179	-69.6	166.9	112.8	0	0	113.3	I218 E219 I220 V228 R253 P254 L255	I218-E222 HydrophobicContact CG2-CG 4.28Å; I218-E222 WeakPolarHBondContact O-CG 3.12Å; I218-E222 PolarHBondContact O-N 3.36Å; E219-E222 WeakPolarHBondContact CA-OE2 3.26Å; I220-E222 PolarHBondContact O-N 3.08Å; E222-V228 HydrophobicContact CG-CG2 4.05Å; E222-R253 WeakPolarHBondContact OE1-CB 3.37Å; E222-R253 IonicContact OE1-CZ 3.94Å; E222-R253 IonicContact OE1-NE 2.9Å; E222-R253 PolarHBondContact OE1-NE 2.78Å; E222-R253 IonicContact OE1-NH2 2.72Å; E222-R253 IonicContact OE2-CZ 2.66Å; E222-R253 IonicContact OE2-NE 2.97Å; E222-R253 IonicContact OE2-NH2 2.62Å; E222-R253 PolarHBondContact OE2-NH2 3.11Å; E222-P254 HydrophobicContact CB-CG 4.11Å; E222-P254 HydrophobicContact CG-CG 4.13Å; E222-L255 HydrophobicContact CG-CD2 3.85Å
223	K	96.6	Very high	95.5	Very high	170 Å²	170	40.2 Å²	40.2	74%	0.739	19%	0.193	S	C	*	.	H	α-helix	trans	-84.9	-19.6	174	-62.3	166.2	-171.7	166.9	0	112.5	E219 I220 A221	E219-K223 VanDerWaalsContact O-CD 3.3Å; E219-K223 WeakPolarHBondContact O-CD 3.49Å; E219-K223 VanDerWaalsContact O-CE 3.23Å; E219-K223 WeakPolarHBondContact O-CE 3.47Å; E219-K223 WeakPolarHBondContact O-CG 3.16Å; I220-K223 PolarHBondContact O-N 2.8Å; A221-K223 PolarHBondContact O-N 2.65Å
224	L	96.7	Very high	95.3	Very high	54 Å²	54	32.6 Å²	32.6	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-110.1	-20.1	-173.2	-64.2	175.3	0	0	0	113.8	L179 P180 K183 I220 A221	L179-L224 HydrophobicContact CB-CD1 3.86Å; P180-L224 HydrophobicContact CG-CD1 4.47Å; K183-L224 WeakPolarHBondContact CD-O 3.46Å; K183-L224 WeakPolarHBondContact CE-O 3.27Å; K183-L224 HydrophobicContact CG-CB 4.35Å; K183-L224 HydrophobicContact CG-CD2 4.45Å; K183-L224 PolarHBondContact NZ-O 3.21Å; I220-L224 HydrophobicContact CG2-CD1 3.83Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 2.95Å; A221-L224 CarbonylContact O-C 3.52Å; A221-L224 PolarHBondContact O-N 2.7Å
225	F	95.3	Very high	95	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.031	16%	0.164	C	C	.	.	S	Bend	trans	-127.6	138.6	-176.2	-63.7	-89.1	0	0	0	110.9	L179 K183 L187 A221 I227 V228	L179-F225 HydrophobicContact CD2-CE2 4.21Å; K183-F225 HydrophobicContact CB-CZ 4.35Å; K183-F225 HydrophobicContact CD-CE1 4.02Å; K183-F225 HydrophobicContact CD-CE2 4.47Å; K183-F225 HydrophobicContact CD-CZ 3.96Å; L187-F225 HydrophobicContact CD2-CZ 4.03Å; L187-F225 HydrophobicContact CG-CE1 4.27Å; L187-F225 HydrophobicContact CG-CZ 4.22Å; L187-F225 WeakPolarHBondContact O-CE1 3.45Å; A221-F225 HydrophobicContact CB-CD2 4.3Å; A221-F225 WeakPolarHBondContact O-CD2 3.22Å; A221-F225 PolarHBondContact O-N 3.32Å; F225-I227 PolarHBondContact O-N 2.94Å; F225-V228 HydrophobicContact CB-CG2 4.17Å
226	P	92.2	Very high	94.7	Very high	115 Å²	115	35 Å²	35	75%	0.747	17%	0.173	S	C	*	.	S	Bend	trans	-67.9	-21.2	-176.6	28.9	-36.2	0	0	0	113.1
227	I	91.9	Very high	94.3	Very high	42 Å²	42	33.6 Å²	33.6	22%	0.215	18%	0.179	C	C	.	.	S	Bend	trans	-151.6	134.5	168.1	-161.7	165.8	0	0	0	108.9	F225 P254 D256 R315	F225-I227 PolarHBondContact O-N 2.94Å; I227-P254 WeakPolarHBondContact CA-O 3.39Å; I227-P254 WeakPolarHBondContact CG1-O 3.29Å; I227-D256 HydrophobicContact CD1-CB 3.75Å; I227-D256 HydrophobicContact CG1-CB 3.93Å; I227-R315 HydrophobicContact CD1-CG 4.15Å
228	V	95.4	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.4	176.2	-177.7	0	0	0	0	108.8	L190 L192 A221 E222 F225 P254 L255 D256	L190-V228 HydrophobicContact CD2-CG1 4.4Å; L192-V228 HydrophobicContact CD1-CG1 4.12Å; A221-V228 HydrophobicContact CB-CG1 4.05Å; A221-V228 HydrophobicContact CB-CG2 3.6Å; E222-V228 HydrophobicContact CG-CG2 4.05Å; F225-V228 HydrophobicContact CB-CG2 4.17Å; V228-P254 PolarHBondContact N-O 2.92Å; V228-L255 HydrophobicContact CB-CD2 3.95Å; V228-L255 CarbonylContact O-C 3.57Å; V228-L255 WeakPolarHBondContact O-CA 3.48Å; V228-D256 PolarHBondContact O-N 3.13Å
229	K	95	Very high	93.5	Very high	19 Å²	19	34.3 Å²	34.3	8%	0.083	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126	179.7	-69	168.5	179.7	-174.7	0	110	L190 N191 L192 D256 D301	L190-K229 WeakPolarHBondContact O-CB 3.34Å; L190-K229 PolarHBondContact O-N 2.7Å; L190-K229 VanDerWaalsContact O-N 3.13Å; N191-K229 CarbonylContact C-O 3.59Å; N191-K229 VanDerWaalsContact CA-O 3.27Å; N191-K229 WeakPolarHBondContact CA-O 3.2Å; N191-K229 HydrophobicContact CB-CB 4.26Å; N191-K229 VanDerWaalsContact CG-CB 3.47Å; N191-K229 VanDerWaalsContact ND2-CB 3.31Å; N191-K229 WeakPolarHBondContact ND2-CB 3.46Å; N191-K229 WeakPolarHBondContact OD1-CD 3.45Å; L192-K229 PolarHBondContact N-O 2.94Å; K229-D256 CarbonylContact C-O 3.56Å; K229-D256 VanDerWaalsContact CA-O 3.3Å; K229-D256 WeakPolarHBondContact CA-O 3.46Å; K229-D256 VanDerWaalsContact CE-OD2 3.24Å; K229-D256 WeakPolarHBondContact CE-OD2 3.35Å; K229-D256 HydrophobicContact CG-CB 3.82Å; K229-D256 WeakPolarHBondContact CG-OD2 3.44Å; K229-D301 IonicContact NZ-OD2 2.74Å; K229-D301 PolarHBondContact NZ-OD2 2.81Å
230	I	95.8	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.7	171.6	-60.9	178.5	0	0	0	107.4	L192 L194 I218 F246 L255 D256 V257 R258	L192-I230 CarbonylContact O-C 3.44Å; L192-I230 WeakPolarHBondContact O-CA 3.17Å; L194-I230 HydrophobicContact CB-CG2 4.05Å; I218-I230 HydrophobicContact CD1-CD1 3.92Å; I218-I230 HydrophobicContact CG1-CD1 4.46Å; I218-I230 HydrophobicContact CG2-CD1 4.4Å; I230-F246 HydrophobicContact CG2-CE1 4.33Å; I230-L255 HydrophobicContact CD1-CD1 3.98Å; I230-L255 HydrophobicContact CD1-CD2 4.1Å; I230-L255 HydrophobicContact CD1-CG 4.5Å; I230-D256 PolarHBondContact N-O 2.62Å; I230-V257 HydrophobicContact CB-CG2 4.32Å; I230-V257 HydrophobicContact CD1-CG2 4.47Å; I230-V257 CarbonylContact O-C 3.57Å; I230-R258 WeakPolarHBondContact O-CB 3.25Å; I230-R258 PolarHBondContact O-N 3.13Å
231	N	93	Very high	93.3	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.5	171.9	-68.7	-10.3	0	0	0	108.5	N191 L192 L194 I260	N191-N231 PolarHBondContact ND2-OD1 3.26Å; L192-N231 PolarHBondContact O-N 3.15Å; L194-N231 PolarHBondContact N-O 3.37Å; N231-I260 HydrophobicContact CB-CD1 3.86Å
232	C	93.7	Very high	93.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.8	176	169.2	0	0	0	0	109.2	D195 F246 R258 F259 I260	D195-C232 WeakPolarHBondContact OD1-CA 3.34Å; C232-F246 HydrophobicContact CB-CE1 4.42Å; C232-F246 HydrophobicContact CB-CZ 4.28Å; C232-R258 PolarHBondContact N-O 3.02Å; C232-F259 HydrophobicContact CB-CD1 4.26Å; C232-F259 CarbonylContact O-C 3.11Å; C232-F259 WeakPolarHBondContact O-CA 3.15Å; C232-I260 PolarHBondContact O-N 3.42Å
233	V	90.2	Very high	93.3	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.2	171.9	-176.2	0	0	0	0	108.9	V79 D195 I235 N239 I260	V79-V233 HydrophobicContact CG1-CG1 3.88Å; D195-V233 PolarHBondContact OD1-N 3.06Å; V233-I235 HydrophobicContact CG1-CG1 4.47Å; V233-N239 PolarHBondContact O-ND2 2.85Å; V233-I260 HydrophobicContact CG2-CB 4.15Å; V233-I260 HydrophobicContact CG2-CD1 4.12Å; V233-I260 HydrophobicContact CG2-CG2 4.26Å
234	V	91.4	Very high	93.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127	-174.6	-173.9	0	0	0	0	110.2	D240 L243 F259 I260 Y262 V276 M281	V234-D240 HydrophobicContact CG1-CB 4.03Å; V234-L243 HydrophobicContact CG1-CD1 4.47Å; V234-L243 HydrophobicContact CG1-CD2 4.03Å; V234-L243 HydrophobicContact CG1-CG 4.25Å; V234-L243 HydrophobicContact CG2-CD2 3.83Å; V234-F259 HydrophobicContact CG2-CB 3.9Å; V234-F259 HydrophobicContact CG2-CD1 3.61Å; V234-F259 HydrophobicContact CG2-CG 4.11Å; V234-I260 PolarHBondContact N-O 3.1Å; V234-Y262 WeakPolarHBondContact O-CB 2.95Å; V234-V276 HydrophobicContact CG1-CB 3.99Å; V234-V276 HydrophobicContact CG1-CG1 4.44Å; V234-V276 HydrophobicContact CG1-CG2 3.93Å; V234-M281 HydrophobicContact CB-SD 3.78Å; V234-M281 HydrophobicContact CG1-SD 4.05Å; V234-M281 HydrophobicContact CG2-SD 3.68Å
235	I	88.6	Confident	93.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-130	121.4	-167.4	-48.9	153.4	0	0	0	107.3	I78 V79 V233 G237 F238 N239 K274	I78-I235 HydrophobicContact CG2-CD1 4.44Å; V79-I235 HydrophobicContact CB-CD1 3.65Å; V79-I235 HydrophobicContact CB-CG1 4Å; V79-I235 HydrophobicContact CG2-CD1 4.12Å; V79-I235 HydrophobicContact CG2-CG1 4.13Å; V79-I235 HydrophobicContact CG2-CG2 4.46Å; V233-I235 HydrophobicContact CG1-CG1 4.47Å; I235-G237 PolarHBondContact O-N 3.19Å; I235-F238 HydrophobicContact CB-CB 4.32Å; I235-F238 HydrophobicContact CD1-CD1 3.9Å; I235-F238 HydrophobicContact CG2-CB 4.31Å; I235-F238 PolarHBondContact O-N 2.88Å; I235-N239 WeakPolarHBondContact CB-OD1 3.19Å; I235-N239 PolarHBondContact N-OD1 2.72Å; I235-N239 PolarHBondContact O-N 3.33Å; I235-N239 PolarHBondContact O-OD1 3.18Å; I235-K274 HydrophobicContact CG2-CB 4.17Å; I235-K274 HydrophobicContact CG2-CD 4.28Å; I235-K274 HydrophobicContact CG2-CG 4.44Å
236	R	89.8	Confident	93.5	Very high	90 Å²	90	27.5 Å²	27.5	34%	0.34	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	133.2	-178.5	-170.2	-175.9	-58.9	-73.3	-6	112.1	D240 R273 K274 M275 V276 E280	R236-D240 WeakPolarHBondContact CA-OD2 3.35Å; R236-R273 WeakPolarHBondContact CD-O 3.27Å; R236-R273 PolarHBondContact NE-O 3.47Å; R236-R273 VanDerWaalsContact NE-O 3.14Å; R236-K274 PolarHBondContact N-O 3.21Å; R236-M275 PolarHBondContact NH2-O 3.4Å; R236-V276 HydrophobicContact CB-CG2 3.87Å; R236-E280 IonicContact CZ-OE1 3.69Å; R236-E280 IonicContact CZ-OE2 2.68Å; R236-E280 IonicContact NH1-OE1 3.23Å; R236-E280 PolarHBondContact NH1-OE1 3.27Å; R236-E280 VanDerWaalsContact NH2-CD 3.26Å; R236-E280 IonicContact NH2-OE1 2.85Å; R236-E280 PolarHBondContact NH2-OE1 2.88Å; R236-E280 IonicContact NH2-OE2 3.68Å; R236-E280 PolarHBondContact NH2-OE2 3.23Å
237	G	89.4	Confident	93.8	Very high	56 Å²	56	22 Å²	22	58%	0.577	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	28.2	-179.5	0	0	0	0	0	113.2	I235 D240	I235-G237 PolarHBondContact O-N 3.19Å; G237-D240 WeakPolarHBondContact CA-OD1 3.36Å; G237-D240 VanDerWaalsContact N-CG 3.29Å; G237-D240 PolarHBondContact N-OD1 2.81Å; G237-D240 PolarHBondContact N-OD2 3.05Å; G237-D240 VanDerWaalsContact N-OD2 3.13Å
238	F	87.8	Confident	94.1	Very high	16 Å²	16	22.9 Å²	22.9	7%	0.07	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.4	-50.4	177	-178.9	-104.2	0	0	0	114.7	L76 I78 K201 M205 I235 D240	L76-F238 HydrophobicContact CD2-CD2 4.44Å; I78-F238 HydrophobicContact CD1-CD2 3.58Å; I78-F238 HydrophobicContact CD1-CE2 3.28Å; I78-F238 HydrophobicContact CD1-CG 4.33Å; I78-F238 HydrophobicContact CD1-CZ 3.82Å; I78-F238 HydrophobicContact CG1-CD1 4.32Å; I78-F238 HydrophobicContact CG1-CD2 3.7Å; I78-F238 HydrophobicContact CG1-CE1 4.4Å; I78-F238 HydrophobicContact CG1-CE2 3.81Å; I78-F238 HydrophobicContact CG1-CG 3.97Å; I78-F238 HydrophobicContact CG1-CZ 4.15Å; I78-F238 HydrophobicContact CG2-CD1 4.09Å; I78-F238 HydrophobicContact CG2-CE1 3.69Å; I78-F238 HydrophobicContact CG2-CE2 4.36Å; I78-F238 HydrophobicContact CG2-CZ 3.84Å; K201-F238 HydrophobicContact CB-CE2 4.16Å; K201-F238 HydrophobicContact CB-CZ 3.74Å; K201-F238 HydrophobicContact CD-CE2 4.41Å; K201-F238 HydrophobicContact CD-CZ 4.4Å; K201-F238 WeakPolarHBondContact CD-O 3.34Å; K201-F238 WeakPolarHBondContact CE-O 3.39Å; K201-F238 HydrophobicContact CG-CE2 4.1Å; K201-F238 HydrophobicContact CG-CZ 4.15Å; K201-F238 PolarHBondContact NZ-O 2.93Å; M205-F238 HydrophobicContact CB-CE1 4.31Å; M205-F238 HydrophobicContact CB-CZ 4.09Å; M205-F238 HydrophobicContact SD-CE1 4Å; I235-F238 HydrophobicContact CB-CB 4.32Å; I235-F238 HydrophobicContact CD1-CD1 3.9Å; I235-F238 HydrophobicContact CG2-CB 4.31Å; I235-F238 PolarHBondContact O-N 2.88Å; F238-D240 PolarHBondContact N-OD1 2.97Å; F238-D240 VanDerWaalsContact N-OD1 3.11Å
239	N	92.1	Very high	94.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	8.1	-178.6	68.3	-16	0	0	0	113.2	D195 V233 I235 D241 E242	D195-N239 PolarHBondContact O-ND2 3.15Å; V233-N239 PolarHBondContact O-ND2 2.85Å; I235-N239 WeakPolarHBondContact CB-OD1 3.19Å; I235-N239 PolarHBondContact N-OD1 2.72Å; I235-N239 PolarHBondContact O-N 3.33Å; I235-N239 PolarHBondContact O-OD1 3.18Å; N239-D241 VanDerWaalsContact C-N 3.26Å; N239-D241 VanDerWaalsContact C-OD1 3.26Å; N239-D241 WeakPolarHBondContact CA-OD1 3.47Å; N239-E242 PolarHBondContact O-N 3.3Å
240	D	93.9	Very high	94.3	Very high	41 Å²	41	23.6 Å²	23.6	22%	0.219	13%	0.131	C	C	.	.	S	Bend	trans	-71.4	-21.3	173	54.3	-36.7	0	0	0	113	V234 R236 G237 F238 L243 V276	V234-D240 HydrophobicContact CG1-CB 4.03Å; R236-D240 WeakPolarHBondContact CA-OD2 3.35Å; G237-D240 WeakPolarHBondContact CA-OD1 3.36Å; G237-D240 VanDerWaalsContact N-CG 3.29Å; G237-D240 PolarHBondContact N-OD1 2.81Å; G237-D240 PolarHBondContact N-OD2 3.05Å; G237-D240 VanDerWaalsContact N-OD2 3.13Å; F238-D240 PolarHBondContact N-OD1 2.97Å; F238-D240 VanDerWaalsContact N-OD1 3.11Å; D240-L243 WeakPolarHBondContact O-CD1 3.41Å; D240-L243 WeakPolarHBondContact O-CG 3.24Å; D240-V276 HydrophobicContact CB-CG2 3.89Å
241	D	95.5	Very high	94.4	Very high	96 Å²	96	29 Å²	29	51%	0.513	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-38	164.9	58.8	-33.5	0	0	0	112.6	K201 N239 L243	K201-D241 IonicContact NZ-OD1 3.2Å; K201-D241 PolarHBondContact NZ-OD1 3.28Å; K201-D241 IonicContact NZ-OD2 2.86Å; K201-D241 PolarHBondContact NZ-OD2 2.67Å; N239-D241 VanDerWaalsContact C-N 3.26Å; N239-D241 VanDerWaalsContact C-OD1 3.26Å; N239-D241 WeakPolarHBondContact CA-OD1 3.47Å; D241-L243 VanDerWaalsContact C-N 3.33Å; D241-L243 PolarHBondContact O-N 3.23Å
242	E	97.3	Very high	94.5	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.033	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.5	-174.7	-64.5	175.4	65.3	0	0	114.6	T196 L197 I198 K201 N239 C244 D245 F246	T196-E242 WeakPolarHBondContact CA-OE1 3.08Å; T196-E242 WeakPolarHBondContact CB-OE2 3.48Å; T196-E242 PolarHBondContact OG1-OE1 3.06Å; T196-E242 PolarHBondContact OG1-OE2 3.12Å; L197-E242 PolarHBondContact N-OE1 2.91Å; I198-E242 HydrophobicContact CD1-CG 4.27Å; K201-E242 WeakPolarHBondContact CD-OE2 3.3Å; K201-E242 WeakPolarHBondContact CE-OE2 3.4Å; K201-E242 IonicContact NZ-OE2 2.98Å; K201-E242 PolarHBondContact NZ-OE2 2.6Å; N239-E242 PolarHBondContact O-N 3.3Å; E242-C244 PolarHBondContact O-N 3.22Å; E242-C244 VanDerWaalsContact O-N 3.12Å; E242-D245 PolarHBondContact O-N 3.45Å; E242-F246 HydrophobicContact CB-CD2 4.08Å; E242-F246 HydrophobicContact CB-CE2 4.31Å; E242-F246 PolarHBondContact O-N 3.02Å
243	L	97.1	Very high	94.7	Very high	3 Å²	3	36 Å²	36	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-44.2	-48.8	-179.7	-84.8	173.9	0	0	0	112.7	V234 D240 D241 V247 F259 M281 T284	V234-L243 HydrophobicContact CG1-CD1 4.47Å; V234-L243 HydrophobicContact CG1-CD2 4.03Å; V234-L243 HydrophobicContact CG1-CG 4.25Å; V234-L243 HydrophobicContact CG2-CD2 3.83Å; D240-L243 WeakPolarHBondContact O-CD1 3.41Å; D240-L243 WeakPolarHBondContact O-CG 3.24Å; D241-L243 VanDerWaalsContact C-N 3.33Å; D241-L243 PolarHBondContact O-N 3.23Å; L243-V247 WeakPolarHBondContact O-CG2 3.42Å; L243-V247 PolarHBondContact O-N 2.94Å; L243-F259 HydrophobicContact CD2-CD1 3.7Å; L243-F259 HydrophobicContact CD2-CD2 4.23Å; L243-F259 HydrophobicContact CD2-CE1 3.72Å; L243-F259 HydrophobicContact CD2-CE2 4.24Å; L243-F259 HydrophobicContact CD2-CG 3.97Å; L243-F259 HydrophobicContact CD2-CZ 3.99Å; L243-F259 WeakPolarHBondContact O-CZ 3.37Å; L243-M281 HydrophobicContact CD1-CB 4.3Å; L243-M281 HydrophobicContact CD1-CG 3.99Å; L243-M281 HydrophobicContact CD2-CB 4.38Å; L243-M281 HydrophobicContact CD2-CG 4.04Å; L243-M281 HydrophobicContact CD2-SD 4.1Å; L243-T284 HydrophobicContact CD1-CG2 4.11Å
244	C	97.9	Very high	94.9	Very high	12 Å²	12	36.3 Å²	36.3	8%	0.081	19%	0.191	C	C	.	.	H	α-helix	trans	-73.3	-30	-175.4	-80.2	0	0	0	0	113.6	E242 V247 E248 F289	E242-C244 PolarHBondContact O-N 3.22Å; E242-C244 VanDerWaalsContact O-N 3.12Å; C244-V247 PolarHBondContact O-N 2.87Å; C244-E248 PolarHBondContact O-N 3Å; C244-F289 HydrophobicContact CB-CE2 4.06Å; C244-F289 WeakPolarHBondContact O-CE2 3.49Å; C244-F289 WeakPolarHBondContact O-CZ 3.26Å
245	D	98.1	Very high	95.2	Very high	67 Å²	67	36.3 Å²	36.3	36%	0.358	19%	0.191	S	C	.	.	H	α-helix	trans	-82.8	-31.1	-178.6	-57.5	-41.9	0	0	0	110.9	L197 E242 V247 E248 L249 R288	L197-D245 HydrophobicContact CD1-CB 4.24Å; E242-D245 PolarHBondContact O-N 3.45Å; D245-V247 VanDerWaalsContact C-N 3.27Å; D245-V247 PolarHBondContact O-N 3.44Å; D245-E248 WeakPolarHBondContact O-CB 3.34Å; D245-E248 PolarHBondContact O-N 3.41Å; D245-L249 WeakPolarHBondContact O-CG 3.35Å; D245-L249 PolarHBondContact O-N 3.29Å; D245-R288 IonicContact OD1-CZ 2.77Å; D245-R288 VanDerWaalsContact OD1-CZ 3.25Å; D245-R288 IonicContact OD1-NH1 3.84Å; D245-R288 PolarHBondContact OD1-NH1 3.11Å; D245-R288 IonicContact OD1-NH2 3.73Å; D245-R288 PolarHBondContact OD1-NH2 2.84Å
246	F	98.2	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-35.9	162.1	-93.1	-69.7	0	0	0	113.1	L194 L197 I230 C232 E242 V257 F259	L194-F246 WeakPolarHBondContact O-CE1 3.25Å; L194-F246 VanDerWaalsContact O-CZ 3.29Å; L194-F246 WeakPolarHBondContact O-CZ 3.47Å; L197-F246 HydrophobicContact CD1-CD1 4.46Å; L197-F246 HydrophobicContact CD1-CD2 4.4Å; L197-F246 HydrophobicContact CD1-CG 4.3Å; L197-F246 HydrophobicContact CD2-CD1 3.95Å; L197-F246 HydrophobicContact CD2-CE1 3.52Å; L197-F246 HydrophobicContact CD2-CE2 4.28Å; L197-F246 HydrophobicContact CD2-CG 4.49Å; L197-F246 HydrophobicContact CD2-CZ 3.71Å; L197-F246 HydrophobicContact CG-CD1 4.26Å; L197-F246 HydrophobicContact CG-CD2 4.15Å; L197-F246 HydrophobicContact CG-CE1 4.05Å; L197-F246 HydrophobicContact CG-CE2 3.93Å; L197-F246 HydrophobicContact CG-CG 4.31Å; L197-F246 HydrophobicContact CG-CZ 3.87Å; I230-F246 HydrophobicContact CG2-CE1 4.33Å; C232-F246 HydrophobicContact CB-CE1 4.42Å; C232-F246 HydrophobicContact CB-CZ 4.28Å; E242-F246 HydrophobicContact CB-CD2 4.08Å; E242-F246 HydrophobicContact CB-CE2 4.31Å; E242-F246 PolarHBondContact O-N 3.02Å; F246-V257 HydrophobicContact CB-CG1 4.1Å; F246-V257 HydrophobicContact CD1-CG1 3.84Å; F246-V257 HydrophobicContact CG-CG1 4.31Å; F246-F259 HydrophobicContact CB-CE1 3.7Å; F246-F259 HydrophobicContact CB-CZ 3.63Å; F246-F259 HydrophobicContact CD2-CE1 4.35Å; F246-F259 HydrophobicContact CG-CE1 4.11Å; F246-F259 HydrophobicContact CG-CZ 4.5Å
247	V	98.2	Very high	95.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-72.8	-41.7	172.5	174.2	0	0	0	0	111.2	L243 C244 D245 L249 T250 F259 I285 F289 V309 F312 V316	L243-V247 WeakPolarHBondContact O-CG2 3.42Å; L243-V247 PolarHBondContact O-N 2.94Å; C244-V247 PolarHBondContact O-N 2.87Å; D245-V247 VanDerWaalsContact C-N 3.27Å; D245-V247 PolarHBondContact O-N 3.44Å; V247-L249 VanDerWaalsContact C-N 3.28Å; V247-L249 PolarHBondContact O-N 3.09Å; V247-T250 WeakPolarHBondContact O-CB 3.14Å; V247-T250 PolarHBondContact O-N 3.34Å; V247-T250 PolarHBondContact O-OG1 2.57Å; V247-F259 HydrophobicContact CG2-CE2 3.84Å; V247-F259 HydrophobicContact CG2-CZ 4.04Å; V247-I285 HydrophobicContact CG1-CG2 4.36Å; V247-I285 HydrophobicContact CG2-CD1 3.77Å; V247-I285 HydrophobicContact CG2-CG1 3.92Å; V247-I285 HydrophobicContact CG2-CG2 4.03Å; V247-F289 HydrophobicContact CB-CD2 4.35Å; V247-F289 HydrophobicContact CB-CE2 3.81Å; V247-F289 HydrophobicContact CB-CZ 4.19Å; V247-F289 HydrophobicContact CG1-CD1 4.48Å; V247-F289 HydrophobicContact CG1-CD2 3.82Å; V247-F289 HydrophobicContact CG1-CE1 4.36Å; V247-F289 HydrophobicContact CG1-CE2 3.67Å; V247-F289 HydrophobicContact CG1-CG 4.22Å; V247-F289 HydrophobicContact CG1-CZ 3.96Å; V247-V309 HydrophobicContact CG1-CG2 3.78Å; V247-F312 HydrophobicContact CG1-CE2 4.33Å; V247-V316 HydrophobicContact CB-CG2 4.4Å; V247-V316 HydrophobicContact CG1-CG2 4.03Å; V247-V316 HydrophobicContact CG2-CG1 4.31Å; V247-V316 HydrophobicContact CG2-CG2 3.81Å
248	E	98	Very high	96.1	Very high	60 Å²	60	29.7 Å²	29.7	28%	0.28	15%	0.148	S	C	.	.	H	α-helix	trans	-55.8	-40.7	177.6	-174.1	58	-131.9	0	0	112.2	C244 D245 T250 R251 F289	C244-E248 PolarHBondContact O-N 3Å; D245-E248 WeakPolarHBondContact O-CB 3.34Å; D245-E248 PolarHBondContact O-N 3.41Å; E248-T250 PolarHBondContact O-N 3.36Å; E248-R251 VanDerWaalsContact CD-NH2 3.28Å; E248-R251 VanDerWaalsContact O-CB 3.28Å; E248-R251 WeakPolarHBondContact O-CB 3.5Å; E248-R251 PolarHBondContact O-N 2.8Å; E248-R251 IonicContact OE1-CZ 2.7Å; E248-R251 VanDerWaalsContact OE1-CZ 3.24Å; E248-R251 IonicContact OE1-NE 2.9Å; E248-R251 PolarHBondContact OE1-NE 2.96Å; E248-R251 IonicContact OE1-NH2 3.35Å; E248-R251 PolarHBondContact OE1-NH2 2.9Å; E248-R251 IonicContact OE2-CZ 2.7Å; E248-R251 IonicContact OE2-NE 2.88Å; E248-R251 IonicContact OE2-NH2 3.15Å; E248-R251 PolarHBondContact OE2-NH2 3.01Å; E248-F289 HydrophobicContact CB-CZ 4.3Å; E248-F289 WeakPolarHBondContact OE2-CE1 3.45Å
249	L	96.9	Very high	96.5	Very high	34 Å²	34	29 Å²	29	18%	0.178	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.7	173.2	-73	-178.5	0	0	0	113.7	L197 W215 D245 V247 R251 R253 L255	L197-L249 HydrophobicContact CD1-CD1 3.69Å; L197-L249 HydrophobicContact CD1-CG 4.17Å; L197-L249 HydrophobicContact CD2-CD1 3.57Å; L197-L249 HydrophobicContact CG-CD1 4.3Å; W215-L249 HydrophobicContact CH2-CD1 3.78Å; W215-L249 HydrophobicContact CH2-CD2 3.82Å; W215-L249 HydrophobicContact CH2-CG 4.48Å; W215-L249 HydrophobicContact CZ3-CD1 4.08Å; D245-L249 WeakPolarHBondContact O-CG 3.35Å; D245-L249 PolarHBondContact O-N 3.29Å; V247-L249 VanDerWaalsContact C-N 3.28Å; V247-L249 PolarHBondContact O-N 3.09Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 PolarHBondContact O-N 3.1Å; L249-R253 VanDerWaalsContact O-CB 3.28Å; L249-R253 WeakPolarHBondContact O-CB 3.45Å; L249-R253 WeakPolarHBondContact O-CG 3.41Å; L249-L255 HydrophobicContact CB-CD1 4.4Å
250	T	97.5	Very high	96.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.4	-179.5	72.8	0	0	0	0	113.7	V247 E248 L255 V257 R313 G314	V247-T250 WeakPolarHBondContact O-CB 3.14Å; V247-T250 PolarHBondContact O-N 3.34Å; V247-T250 PolarHBondContact O-OG1 2.57Å; E248-T250 PolarHBondContact O-N 3.36Å; T250-L255 HydrophobicContact CG2-CB 4.36Å; T250-V257 HydrophobicContact CG2-CB 4.1Å; T250-V257 HydrophobicContact CG2-CG2 3.55Å; T250-R313 PolarHBondContact O-N 3.29Å; T250-G314 WeakPolarHBondContact O-CA 3.38Å; T250-G314 PolarHBondContact O-N 2.94Å
251	R	97.7	Very high	96.1	Very high	112 Å²	112	27.4 Å²	27.4	42%	0.423	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-54.7	180	-170.3	-174.2	-60.1	-106.8	3.1	112.3	E248 L249 F312 R313	E248-R251 VanDerWaalsContact CD-NH2 3.28Å; E248-R251 VanDerWaalsContact O-CB 3.28Å; E248-R251 WeakPolarHBondContact O-CB 3.5Å; E248-R251 PolarHBondContact O-N 2.8Å; E248-R251 IonicContact OE1-CZ 2.7Å; E248-R251 VanDerWaalsContact OE1-CZ 3.24Å; E248-R251 IonicContact OE1-NE 2.9Å; E248-R251 PolarHBondContact OE1-NE 2.96Å; E248-R251 IonicContact OE1-NH2 3.35Å; E248-R251 PolarHBondContact OE1-NH2 2.9Å; E248-R251 IonicContact OE2-CZ 2.7Å; E248-R251 IonicContact OE2-NE 2.88Å; E248-R251 IonicContact OE2-NH2 3.15Å; E248-R251 PolarHBondContact OE2-NH2 3.01Å; L249-R251 VanDerWaalsContact C-N 3.26Å; L249-R251 PolarHBondContact O-N 3.1Å; R251-F312 VanDerWaalsContact CA-CD2 3.43Å; R251-F312 HydrophobicContact CB-CD1 4.31Å; R251-F312 HydrophobicContact CB-CD2 3.85Å; R251-F312 HydrophobicContact CB-CE1 4.23Å; R251-F312 HydrophobicContact CB-CE2 3.77Å; R251-F312 HydrophobicContact CB-CG 4.12Å; R251-F312 HydrophobicContact CB-CZ 3.96Å; R251-F312 HydrophobicContact CG-CD1 3.94Å; R251-F312 HydrophobicContact CG-CD2 4.39Å; R251-F312 HydrophobicContact CG-CE1 3.82Å; R251-F312 HydrophobicContact CG-CE2 4.28Å; R251-F312 HydrophobicContact CG-CG 4.23Å; R251-F312 HydrophobicContact CG-CZ 3.99Å; R251-R313 WeakPolarHBondContact O-CB 3.35Å; R251-R313 PolarHBondContact O-N 3.36Å
252	T	96.5	Very high	95.4	Very high	100 Å²	100	22.8 Å²	22.8	61%	0.613	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.4	-173.6	57.2	0	0	0	0	113.9	R313	T252-R313 WeakPolarHBondContact O-CD 3.27Å; T252-R313 PolarHBondContact O-NH1 3.04Å
253	R	97.2	Very high	94.2	Very high	52 Å²	52	23.5 Å²	23.5	20%	0.196	12%	0.116	C	C	.	.	S	Bend	trans	-103.5	145.5	-170.9	-55.4	-174.3	80.7	126.4	-6.6	112.6	E219 E222 L249 L255 G314	E219-R253 IonicContact OE1-NH1 2.7Å; E219-R253 IonicContact OE1-NH2 2.86Å; E219-R253 PolarHBondContact OE1-NH2 3.41Å; E222-R253 WeakPolarHBondContact OE1-CB 3.37Å; E222-R253 IonicContact OE1-CZ 3.94Å; E222-R253 IonicContact OE1-NE 2.9Å; E222-R253 PolarHBondContact OE1-NE 2.78Å; E222-R253 IonicContact OE1-NH2 2.72Å; E222-R253 IonicContact OE2-CZ 2.66Å; E222-R253 IonicContact OE2-NE 2.97Å; E222-R253 IonicContact OE2-NH2 2.62Å; E222-R253 PolarHBondContact OE2-NH2 3.11Å; L249-R253 VanDerWaalsContact O-CB 3.28Å; L249-R253 WeakPolarHBondContact O-CB 3.45Å; L249-R253 WeakPolarHBondContact O-CG 3.41Å; R253-L255 HydrophobicContact CB-CD1 3.83Å; R253-L255 HydrophobicContact CB-CG 3.81Å; R253-L255 PolarHBondContact O-N 3Å; R253-G314 WeakPolarHBondContact O-CA 3.48Å; R253-G314 PolarHBondContact O-N 3.19Å
254	P	94.9	Very high	92.6	Very high	14 Å²	14	23.6 Å²	23.6	9%	0.091	12%	0.117	C	C	.	.			trans	-80.4	60.4	179.3	35.5	-35.2	0	0	0	111.5	E222 I227 V228	E222-P254 HydrophobicContact CB-CG 4.11Å; E222-P254 HydrophobicContact CG-CG 4.13Å; I227-P254 WeakPolarHBondContact CA-O 3.39Å; I227-P254 WeakPolarHBondContact CG1-O 3.29Å; V228-P254 PolarHBondContact N-O 2.92Å
255	L	97	Very high	90.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.7	-175.9	-59.9	177.1	0	0	0	111.5	I218 E222 V228 I230 L249 T250 R253 V257 G314 R315	I218-L255 HydrophobicContact CG2-CD2 3.98Å; E222-L255 HydrophobicContact CG-CD2 3.85Å; V228-L255 HydrophobicContact CB-CD2 3.95Å; V228-L255 CarbonylContact O-C 3.57Å; V228-L255 WeakPolarHBondContact O-CA 3.48Å; I230-L255 HydrophobicContact CD1-CD1 3.98Å; I230-L255 HydrophobicContact CD1-CD2 4.1Å; I230-L255 HydrophobicContact CD1-CG 4.5Å; L249-L255 HydrophobicContact CB-CD1 4.4Å; T250-L255 HydrophobicContact CG2-CB 4.36Å; R253-L255 HydrophobicContact CB-CD1 3.83Å; R253-L255 HydrophobicContact CB-CG 3.81Å; R253-L255 PolarHBondContact O-N 3Å; L255-V257 HydrophobicContact CB-CG2 4.18Å; L255-G314 CarbonylContact O-C 3.59Å; L255-G314 WeakPolarHBondContact O-CA 3.5Å; L255-R315 PolarHBondContact O-N 2.8Å
256	D	95.5	Very high	88.6	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	89.4	170.1	172.9	-2.7	0	0	0	107	I227 V228 K229 I230 R258 R315	I227-D256 HydrophobicContact CD1-CB 3.75Å; I227-D256 HydrophobicContact CG1-CB 3.93Å; V228-D256 PolarHBondContact O-N 3.13Å; K229-D256 CarbonylContact C-O 3.56Å; K229-D256 VanDerWaalsContact CA-O 3.3Å; K229-D256 WeakPolarHBondContact CA-O 3.46Å; K229-D256 VanDerWaalsContact CE-OD2 3.24Å; K229-D256 WeakPolarHBondContact CE-OD2 3.35Å; K229-D256 HydrophobicContact CG-CB 3.82Å; K229-D256 WeakPolarHBondContact CG-OD2 3.44Å; I230-D256 PolarHBondContact N-O 2.62Å; D256-R258 WeakPolarHBondContact OD1-CG 3.16Å; D256-R258 IonicContact OD1-CZ 3.6Å; D256-R258 IonicContact OD1-NE 2.99Å; D256-R258 PolarHBondContact OD1-NE 3.07Å; D256-R258 IonicContact OD1-NH2 4Å; D256-R258 IonicContact OD2-CZ 2.77Å; D256-R258 VanDerWaalsContact OD2-CZ 3.31Å; D256-R258 IonicContact OD2-NE 3.73Å; D256-R258 PolarHBondContact OD2-NE 2.68Å; D256-R258 VanDerWaalsContact OD2-NE 3.15Å; D256-R258 IonicContact OD2-NH2 3.09Å; D256-R258 PolarHBondContact OD2-NH2 3.1Å; D256-R315 WeakPolarHBondContact CA-O 3.47Å; D256-R315 HydrophobicContact CB-CB 4.43Å
257	V	97	Very high	86.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.7	-174.7	179.4	0	0	0	0	109.4	I230 F246 T250 L255 F259 R315 V316 G317	I230-V257 HydrophobicContact CB-CG2 4.32Å; I230-V257 HydrophobicContact CD1-CG2 4.47Å; I230-V257 CarbonylContact O-C 3.57Å; F246-V257 HydrophobicContact CB-CG1 4.1Å; F246-V257 HydrophobicContact CD1-CG1 3.84Å; F246-V257 HydrophobicContact CG-CG1 4.31Å; T250-V257 HydrophobicContact CG2-CB 4.1Å; T250-V257 HydrophobicContact CG2-CG2 3.55Å; L255-V257 HydrophobicContact CB-CG2 4.18Å; V257-F259 HydrophobicContact CG1-CE1 4.14Å; V257-F259 HydrophobicContact CG1-CZ 4.08Å; V257-R315 PolarHBondContact N-O 3.14Å; V257-V316 CarbonylContact O-C 3.29Å; V257-V316 WeakPolarHBondContact O-CA 3.4Å; V257-G317 PolarHBondContact O-N 2.96Å
258	R	94.4	Very high	84.3	Confident	5 Å²	5	29.1 Å²	29.1	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	100.6	-165.5	-66.3	177.4	171.6	-149.5	-3.2	111.1	I230 C232 D256 D301 G317 I319	I230-R258 WeakPolarHBondContact O-CB 3.25Å; I230-R258 PolarHBondContact O-N 3.13Å; C232-R258 PolarHBondContact N-O 3.02Å; D256-R258 WeakPolarHBondContact OD1-CG 3.16Å; D256-R258 IonicContact OD1-CZ 3.6Å; D256-R258 IonicContact OD1-NE 2.99Å; D256-R258 PolarHBondContact OD1-NE 3.07Å; D256-R258 IonicContact OD1-NH2 4Å; D256-R258 IonicContact OD2-CZ 2.77Å; D256-R258 VanDerWaalsContact OD2-CZ 3.31Å; D256-R258 IonicContact OD2-NE 3.73Å; D256-R258 PolarHBondContact OD2-NE 2.68Å; D256-R258 VanDerWaalsContact OD2-NE 3.15Å; D256-R258 IonicContact OD2-NH2 3.09Å; D256-R258 PolarHBondContact OD2-NH2 3.1Å; R258-D301 IonicContact CZ-OD2 2.86Å; R258-D301 VanDerWaalsContact CZ-OD2 3.23Å; R258-D301 IonicContact NH1-OD2 2.62Å; R258-D301 PolarHBondContact NH1-OD2 2.82Å; R258-D301 IonicContact NH2-OD2 2.65Å; R258-D301 PolarHBondContact NH2-OD2 3.09Å; R258-G317 CarbonylContact C-O 3.55Å; R258-G317 VanDerWaalsContact CA-O 3.29Å; R258-G317 WeakPolarHBondContact CA-O 3.3Å; R258-I319 HydrophobicContact CB-CD1 4.43Å
259	F	95	Very high	82.3	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.4	173.1	-56.9	-60	0	0	0	110.1	C232 V234 L243 F246 V247 V257 M281 I285 V316 G317 F318 I319	C232-F259 HydrophobicContact CB-CD1 4.26Å; C232-F259 CarbonylContact O-C 3.11Å; C232-F259 WeakPolarHBondContact O-CA 3.15Å; V234-F259 HydrophobicContact CG2-CB 3.9Å; V234-F259 HydrophobicContact CG2-CD1 3.61Å; V234-F259 HydrophobicContact CG2-CG 4.11Å; L243-F259 HydrophobicContact CD2-CD1 3.7Å; L243-F259 HydrophobicContact CD2-CD2 4.23Å; L243-F259 HydrophobicContact CD2-CE1 3.72Å; L243-F259 HydrophobicContact CD2-CE2 4.24Å; L243-F259 HydrophobicContact CD2-CG 3.97Å; L243-F259 HydrophobicContact CD2-CZ 3.99Å; L243-F259 WeakPolarHBondContact O-CZ 3.37Å; F246-F259 HydrophobicContact CB-CE1 3.7Å; F246-F259 HydrophobicContact CB-CZ 3.63Å; F246-F259 HydrophobicContact CD2-CE1 4.35Å; F246-F259 HydrophobicContact CG-CE1 4.11Å; F246-F259 HydrophobicContact CG-CZ 4.5Å; V247-F259 HydrophobicContact CG2-CE2 3.84Å; V247-F259 HydrophobicContact CG2-CZ 4.04Å; V257-F259 HydrophobicContact CG1-CE1 4.14Å; V257-F259 HydrophobicContact CG1-CZ 4.08Å; F259-M281 HydrophobicContact CB-SD 3.8Å; F259-M281 HydrophobicContact CG-SD 4.48Å; F259-I285 HydrophobicContact CD2-CD1 4.09Å; F259-I285 HydrophobicContact CE2-CD1 3.63Å; F259-I285 HydrophobicContact CZ-CD1 4.47Å; F259-V316 HydrophobicContact CD2-CG1 3.85Å; F259-V316 HydrophobicContact CE2-CG1 3.65Å; F259-G317 PolarHBondContact N-O 2.7Å; F259-F318 HydrophobicContact CB-CD1 4.12Å; F259-F318 HydrophobicContact CB-CE1 4.4Å; F259-F318 HydrophobicContact CD2-CD1 4.25Å; F259-F318 AromaticContact CD2-CE1 3.77Å; F259-F318 HydrophobicContact CD2-CE1 3.77Å; F259-F318 HydrophobicContact CD2-CZ 4.27Å; F259-F318 WeakPolarHBondContact O-CA 3.22Å; F259-I319 PolarHBondContact O-N 3.04Å
260	I	89.7	Confident	80.4	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.046	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.9	-178.4	-62.5	154	0	0	0	107.5	N231 C232 V233 V234 Y262 I319	N231-I260 HydrophobicContact CB-CD1 3.86Å; C232-I260 PolarHBondContact O-N 3.42Å; V233-I260 HydrophobicContact CG2-CB 4.15Å; V233-I260 HydrophobicContact CG2-CD1 4.12Å; V233-I260 HydrophobicContact CG2-CG2 4.26Å; V234-I260 PolarHBondContact N-O 3.1Å; I260-Y262 PolarHBondContact O-N 3.34Å; I260-I319 HydrophobicContact CB-CB 4.46Å; I260-I319 HydrophobicContact CD1-CD1 4.46Å; I260-I319 HydrophobicContact CG1-CB 3.9Å; I260-I319 HydrophobicContact CG1-CD1 3.89Å; I260-I319 HydrophobicContact CG1-CG1 4.23Å; I260-I319 HydrophobicContact CG1-CG2 4.42Å
261	E	88.2	Confident	79	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.8	173.6	-61.4	-179.5	139.6	0	0	109.9	M263 M275 Y278 M281 I319 T320 S321 M322 S323	E261-M263 PolarHBondContact O-N 2.99Å; E261-M275 HydrophobicContact CB-CE 4.25Å; E261-M275 HydrophobicContact CG-CE 4.29Å; E261-Y278 WeakPolarHBondContact OE1-CB 3.27Å; E261-Y278 PolarHBondContact OE1-N 3.38Å; E261-M281 HydrophobicContact CG-CE 3.81Å; E261-I319 PolarHBondContact N-O 3.18Å; E261-T320 WeakPolarHBondContact OE2-CA 3.5Å; E261-S321 PolarHBondContact O-OG 3.2Å; E261-S321 VanDerWaalsContact O-OG 3.09Å; E261-S321 PolarHBondContact OE2-N 3.27Å; E261-S321 VanDerWaalsContact OE2-N 3.16Å; E261-M322 PolarHBondContact OE2-N 2.88Å; E261-S323 VanDerWaalsContact CD-OG 3.25Å; E261-S323 WeakPolarHBondContact OE1-CB 3.44Å; E261-S323 PolarHBondContact OE1-OG 3.46Å; E261-S323 PolarHBondContact OE2-N 3.06Å; E261-S323 PolarHBondContact OE2-OG 3.15Å
262	Y	81.6	Confident	77.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.			trans	-56.2	125.1	174.2	169.4	-123.6	0	0	0	111.2	F61 V79 V234 I260 P264 N268 E271 K274	F61-Y262 HydrophobicContact CE1-CE2 4.35Å; F61-Y262 HydrophobicContact CZ-CE2 4.21Å; V79-Y262 HydrophobicContact CB-CD2 4.33Å; V79-Y262 HydrophobicContact CB-CE2 4.25Å; V79-Y262 HydrophobicContact CG1-CD2 3.93Å; V79-Y262 HydrophobicContact CG1-CE2 4.06Å; V79-Y262 HydrophobicContact CG2-CD2 3.63Å; V79-Y262 HydrophobicContact CG2-CE2 3.25Å; V234-Y262 WeakPolarHBondContact O-CB 2.95Å; I260-Y262 PolarHBondContact O-N 3.34Å; Y262-P264 WeakPolarHBondContact O-CD 3.19Å; Y262-N268 WeakPolarHBondContact OH-CB 3.15Å; Y262-N268 PolarHBondContact OH-ND2 2.98Å; Y262-N268 PolarHBondContact OH-OD1 2.99Å; Y262-E271 WeakPolarHBondContact CE1-O 3.42Å; Y262-K274 HydrophobicContact CD1-CB 3.8Å; Y262-K274 HydrophobicContact CE1-CB 3.71Å
263	M	72	Confident	77.2	Confident	21 Å²	21	43.8 Å²	43.8	10%	0.103	20%	0.199	C	C	.	.			trans	-98.8	114.3	178.3	-60.5	-163.2	78.7	0	0	110.5	V82 E261 F265 N268 S321 M322	V82-M263 HydrophobicContact CG1-SD 4.19Å; E261-M263 PolarHBondContact O-N 2.99Å; M263-F265 WeakPolarHBondContact O-CD1 3.37Å; M263-N268 PolarHBondContact O-ND2 3.32Å; M263-S321 VanDerWaalsContact SD-CB 3.55Å; M263-M322 HydrophobicContact CB-SD 4.4Å; M263-M322 HydrophobicContact CE-CG 4.35Å; M263-M322 HydrophobicContact CE-SD 3.54Å; M263-M322 VanDerWaalsContact CE-SD 3.54Å; M263-M322 HydrophobicContact CG-CG 4.11Å; M263-M322 HydrophobicContact CG-SD 4.21Å
264	P	64	Low	76.5	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.039	20%	0.195	C	C	.	.			trans	-67.1	138.8	167.9	25.7	-30.4	0	0	0	110.9	Y262 N268 W270 M322	Y262-P264 WeakPolarHBondContact O-CD 3.19Å; P264-N268 VanDerWaalsContact CA-OD1 3.3Å; P264-N268 WeakPolarHBondContact CA-OD1 3.48Å; P264-W270 HydrophobicContact CB-CB 4.05Å; P264-W270 HydrophobicContact CB-CD2 4.03Å; P264-W270 HydrophobicContact CB-CE3 3.61Å; P264-W270 HydrophobicContact CB-CG 4.26Å; P264-W270 HydrophobicContact CB-CZ3 4.33Å; P264-W270 HydrophobicContact CG-CE3 3.79Å; P264-W270 HydrophobicContact CG-CZ3 4.16Å; P264-W270 WeakPolarHBondContact O-CZ3 3.25Å; P264-M322 HydrophobicContact CG-CE 4.15Å
265	F	61.3	Low	76	Confident	56 Å²	56	43.6 Å²	43.6	25%	0.246	20%	0.199	C	C	.	.			trans	-152.3	168.1	176.3	62.5	-101.5	0	0	0	110.2	F61 M263 G267 N268 W270	F61-F265 HydrophobicContact CD1-CZ 4.18Å; F61-F265 AromaticContact CD2-CZ 3.84Å; F61-F265 HydrophobicContact CD2-CZ 3.84Å; F61-F265 HydrophobicContact CE1-CE1 4.22Å; F61-F265 AromaticContact CE1-CZ 3.93Å; F61-F265 HydrophobicContact CE1-CZ 3.93Å; F61-F265 AromaticContact CE2-CE1 3.81Å; F61-F265 HydrophobicContact CE2-CE1 3.81Å; F61-F265 AromaticContact CE2-CZ 3.51Å; F61-F265 HydrophobicContact CE2-CZ 3.51Å; F61-F265 HydrophobicContact CG-CZ 4.13Å; F61-F265 AromaticContact CZ-CE1 3.58Å; F61-F265 HydrophobicContact CZ-CE1 3.58Å; F61-F265 AromaticContact CZ-CZ 3.53Å; F61-F265 HydrophobicContact CZ-CZ 3.53Å; M263-F265 WeakPolarHBondContact O-CD1 3.37Å; F265-G267 VanDerWaalsContact C-N 3.34Å; F265-G267 PolarHBondContact O-N 2.81Å; F265-N268 WeakPolarHBondContact CD1-ND2 3.46Å; F265-N268 WeakPolarHBondContact CE1-ND2 3.45Å; F265-N268 HydrophobicContact CE2-CB 4.36Å; F265-N268 HydrophobicContact CZ-CB 4.38Å; F265-N268 VanDerWaalsContact N-CG 3.34Å; F265-N268 PolarHBondContact N-ND2 3.06Å; F265-N268 PolarHBondContact N-OD1 2.94Å; F265-N268 VanDerWaalsContact O-CG 3.28Å; F265-N268 PolarHBondContact O-N 3.45Å; F265-N268 PolarHBondContact O-OD1 3.4Å; F265-W270 VanDerWaalsContact C-NE1 3.28Å
266	D	49.2	Very low	75.7	Confident	112 Å²	112	43.8 Å²	43.8	60%	0.599	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-60.7	-40.3	-166.1	-52.4	-67.2	0	0	0	112.9	N268 K269 W270 R384	D266-N268 PolarHBondContact O-N 2.88Å; D266-K269 PolarHBondContact O-N 2.9Å; D266-W270 VanDerWaalsContact N-NE1 3.18Å; D266-W270 PolarHBondContact OD1-NE1 3.02Å; D266-R384 IonicContact OD1-CZ 3.95Å; D266-R384 IonicContact OD1-NH1 2.95Å; D266-R384 PolarHBondContact OD1-NH1 2.83Å; D266-R384 IonicContact OD1-NH2 3.26Å
267	G	51.3	Low	75.5	Confident	25 Å²	25	45.3 Å²	45.3	26%	0.258	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-67.1	2.7	172.6	0	0	0	0	0	116.4	V62 F265	V62-G267 WeakPolarHBondContact CG2-O 3.31Å; F265-G267 VanDerWaalsContact C-N 3.34Å; F265-G267 PolarHBondContact O-N 2.81Å
268	N	55.7	Low	75.3	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.011	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-127.5	21.7	172.8	75.9	32.7	0	0	0	114.2	F61 Y262 M263 P264 F265 D266 W270 E271	F61-N268 HydrophobicContact CD1-CB 3.64Å; F61-N268 HydrophobicContact CE1-CB 3.29Å; F61-N268 HydrophobicContact CZ-CB 4.25Å; Y262-N268 WeakPolarHBondContact OH-CB 3.15Å; Y262-N268 PolarHBondContact OH-ND2 2.98Å; Y262-N268 PolarHBondContact OH-OD1 2.99Å; M263-N268 PolarHBondContact O-ND2 3.32Å; P264-N268 VanDerWaalsContact CA-OD1 3.3Å; P264-N268 WeakPolarHBondContact CA-OD1 3.48Å; F265-N268 WeakPolarHBondContact CD1-ND2 3.46Å; F265-N268 WeakPolarHBondContact CE1-ND2 3.45Å; F265-N268 HydrophobicContact CE2-CB 4.36Å; F265-N268 HydrophobicContact CZ-CB 4.38Å; F265-N268 VanDerWaalsContact N-CG 3.34Å; F265-N268 PolarHBondContact N-ND2 3.06Å; F265-N268 PolarHBondContact N-OD1 2.94Å; F265-N268 VanDerWaalsContact O-CG 3.28Å; F265-N268 PolarHBondContact O-N 3.45Å; F265-N268 PolarHBondContact O-OD1 3.4Å; D266-N268 PolarHBondContact O-N 2.88Å; N268-W270 PolarHBondContact O-N 3.45Å; N268-W270 PolarHBondContact OD1-N 3.29Å; N268-E271 PolarHBondContact O-N 2.91Å
269	K	55.9	Low	75.2	Confident	158 Å²	158	49.5 Å²	49.5	69%	0.687	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	14.4	178.7	-54.7	179.3	178.8	179.5	0	114.5	D266 E271	D266-K269 PolarHBondContact O-N 2.9Å; K269-E271 VanDerWaalsContact C-N 3.34Å; K269-E271 HydrophobicContact CB-CG 4.35Å; K269-E271 PolarHBondContact O-N 3.47Å
270	W	57.8	Low	75.2	Confident	74 Å²	74	52 Å²	52	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	46	-174	-68.1	78.7	0	0	0	114.3	P264 F265 D266 N268 H272 R384	P264-W270 HydrophobicContact CB-CB 4.05Å; P264-W270 HydrophobicContact CB-CD2 4.03Å; P264-W270 HydrophobicContact CB-CE3 3.61Å; P264-W270 HydrophobicContact CB-CG 4.26Å; P264-W270 HydrophobicContact CB-CZ3 4.33Å; P264-W270 HydrophobicContact CG-CE3 3.79Å; P264-W270 HydrophobicContact CG-CZ3 4.16Å; P264-W270 WeakPolarHBondContact O-CZ3 3.25Å; F265-W270 VanDerWaalsContact C-NE1 3.28Å; D266-W270 VanDerWaalsContact N-NE1 3.18Å; D266-W270 PolarHBondContact OD1-NE1 3.02Å; N268-W270 PolarHBondContact O-N 3.45Å; N268-W270 PolarHBondContact OD1-N 3.29Å; W270-H272 AromaticContact CE3-NE2 3.79Å; W270-H272 PolarHBondContact O-CD2 3.41Å; W270-H272 VanDerWaalsContact O-CD2 3.24Å; W270-H272 PolarHBondContact O-N 2.93Å; W270-R384 VanDerWaalsContact NE1-NH1 3.2Å
271	E	67.9	Low	75.6	Confident	46 Å²	46	51.7 Å²	51.7	22%	0.215	24%	0.244	C	C	.	.			trans	-67.9	67.4	-179.6	-71.1	-178.4	-140.6	0	0	113.7	T77 Y262 N268 K269 R273 K274	T77-E271 WeakPolarHBondContact CB-OE1 3.47Å; T77-E271 PolarHBondContact OG1-OE1 3.33Å; T77-E271 PolarHBondContact OG1-OE2 3.08Å; Y262-E271 WeakPolarHBondContact CE1-O 3.42Å; N268-E271 PolarHBondContact O-N 2.91Å; K269-E271 VanDerWaalsContact C-N 3.34Å; K269-E271 HydrophobicContact CB-CG 4.35Å; K269-E271 PolarHBondContact O-N 3.47Å; E271-R273 PolarHBondContact O-N 2.97Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-K274 VanDerWaalsContact OE2-CD 3.31Å; E271-K274 WeakPolarHBondContact OE2-CD 3.48Å; E271-K274 WeakPolarHBondContact OE2-CE 3.21Å; E271-K274 IonicContact OE2-NZ 2.88Å; E271-K274 PolarHBondContact OE2-NZ 3.26Å
272	H	73.9	Confident	75.9	Confident	109 Å²	109	52.2 Å²	52.2	51%	0.505	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-50.5	-28.9	-178.2	-78	-82.7	0	0	0	114.4	W270 K274 M275	W270-H272 AromaticContact CE3-NE2 3.79Å; W270-H272 PolarHBondContact O-CD2 3.41Å; W270-H272 VanDerWaalsContact O-CD2 3.24Å; W270-H272 PolarHBondContact O-N 2.93Å; H272-K274 PolarHBondContact O-N 3.11Å; H272-M275 WeakPolarHBondContact O-CB 3.31Å; H272-M275 PolarHBondContact O-N 2.8Å; H272-M275 VanDerWaalsContact O-N 3.12Å
273	R	81.5	Confident	76.6	Confident	228 Å²	228	57.1 Å²	57.1	86%	0.86	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-59.9	-25.6	177.3	-60.2	-173.1	-175	-159.1	2.2	113	R236 E271 M275	R236-R273 WeakPolarHBondContact CD-O 3.27Å; R236-R273 PolarHBondContact NE-O 3.47Å; R236-R273 VanDerWaalsContact NE-O 3.14Å; E271-R273 PolarHBondContact O-N 2.97Å; R273-M275 VanDerWaalsContact C-N 3.31Å; R273-M275 PolarHBondContact O-N 3.48Å
274	K	83.1	Confident	77.8	Confident	27 Å²	27	57.6 Å²	57.6	12%	0.117	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-81.7	-3.8	178.7	-75.1	-179.7	177.7	159.9	0	114.6	H75 T77 I235 R236 Y262 E271 H272 V276	H75-K274 PolarHBondContact O-NZ 2.9Å; T77-K274 VanDerWaalsContact N-NZ 3.16Å; T77-K274 PolarHBondContact O-NZ 2.94Å; T77-K274 VanDerWaalsContact O-NZ 3.15Å; T77-K274 PolarHBondContact OG1-NZ 3.48Å; I235-K274 HydrophobicContact CG2-CB 4.17Å; I235-K274 HydrophobicContact CG2-CD 4.28Å; I235-K274 HydrophobicContact CG2-CG 4.44Å; R236-K274 PolarHBondContact N-O 3.21Å; Y262-K274 HydrophobicContact CD1-CB 3.8Å; Y262-K274 HydrophobicContact CE1-CB 3.71Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-K274 VanDerWaalsContact OE2-CD 3.31Å; E271-K274 WeakPolarHBondContact OE2-CD 3.48Å; E271-K274 WeakPolarHBondContact OE2-CE 3.21Å; E271-K274 IonicContact OE2-NZ 2.88Å; E271-K274 PolarHBondContact OE2-NZ 3.26Å; H272-K274 PolarHBondContact O-N 3.11Å; K274-V276 PolarHBondContact O-N 2.86Å
275	M	84.8	Confident	79.4	Confident	35 Å²	35	57.3 Å²	57.3	17%	0.172	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-74.1	125.6	172.8	-176.6	-178.7	164.1	0	0	110.5	R236 E261 H272 R273 M322	R236-M275 PolarHBondContact NH2-O 3.4Å; E261-M275 HydrophobicContact CB-CE 4.25Å; E261-M275 HydrophobicContact CG-CE 4.29Å; H272-M275 WeakPolarHBondContact O-CB 3.31Å; H272-M275 PolarHBondContact O-N 2.8Å; H272-M275 VanDerWaalsContact O-N 3.12Å; R273-M275 VanDerWaalsContact C-N 3.31Å; R273-M275 PolarHBondContact O-N 3.48Å; M275-M322 HydrophobicContact CE-CB 3.6Å; M275-M322 HydrophobicContact SD-CB 3.75Å; M275-M322 HydrophobicContact SD-CG 4.26Å
276	V	89.8	Confident	81.1	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.018	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-97.5	131.9	159.7	-169.1	0	0	0	0	107.3	V234 R236 D240 K274 E280 M281	V234-V276 HydrophobicContact CG1-CB 3.99Å; V234-V276 HydrophobicContact CG1-CG1 4.44Å; V234-V276 HydrophobicContact CG1-CG2 3.93Å; R236-V276 HydrophobicContact CB-CG2 3.87Å; D240-V276 HydrophobicContact CB-CG2 3.89Å; K274-V276 PolarHBondContact O-N 2.86Å; V276-E280 WeakPolarHBondContact CA-OE2 3.16Å; V276-E280 HydrophobicContact CG1-CB 4.28Å; V276-E280 HydrophobicContact CG1-CG 3.81Å; V276-E280 WeakPolarHBondContact CG1-OE2 3.47Å; V276-M281 HydrophobicContact CB-CG 4.25Å; V276-M281 HydrophobicContact CG1-CG 3.57Å
277	S	91.9	Very high	83.4	Confident	34 Å²	34	62.2 Å²	62.2	24%	0.238	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-86.1	157.6	-174.7	74.9	0	0	0	0	112.8	V279 E280 M281	S277-V279 PolarHBondContact O-N 3.39Å; S277-E280 PolarHBondContact N-OE2 2.89Å; S277-E280 PolarHBondContact O-N 3.24Å; S277-E280 VanDerWaalsContact OG-CB 3.26Å; S277-E280 WeakPolarHBondContact OG-CB 3.23Å; S277-E280 PolarHBondContact OG-N 2.73Å; S277-M281 WeakPolarHBondContact O-CG 3.48Å; S277-M281 PolarHBondContact O-N 2.75Å
278	Y	92.1	Very high	85.6	Confident	28 Å²	28	67 Å²	67	11%	0.11	29%	0.294	C	S	.	.	H	α-helix	trans	-46.8	-45.3	169.5	167.3	-113.7	0	0	0	114.2	E261 M282 K305 Y307 F318 T320	E261-Y278 WeakPolarHBondContact OE1-CB 3.27Å; E261-Y278 PolarHBondContact OE1-N 3.38Å; Y278-M282 HydrophobicContact CE2-CE 3.99Å; Y278-M282 WeakPolarHBondContact O-CB 3.15Å; Y278-M282 PolarHBondContact O-N 2.88Å; Y278-K305 HydrophobicContact CD2-CD 4.49Å; Y278-K305 HydrophobicContact CE1-CD 4.5Å; Y278-K305 HydrophobicContact CE2-CD 4.14Å; Y278-Y307 HydrophobicContact CE2-CE2 4.44Å; Y278-Y307 PolarHBondContact OH-OH 3.21Å; Y278-F318 HydrophobicContact CD2-CB 3.53Å; Y278-F318 AromaticContact CD2-CD1 3.91Å; Y278-F318 HydrophobicContact CD2-CD1 3.91Å; Y278-F318 HydrophobicContact CD2-CD2 4.22Å; Y278-F318 AromaticContact CD2-CG 3.62Å; Y278-F318 HydrophobicContact CD2-CG 3.62Å; Y278-F318 HydrophobicContact CE2-CB 3.84Å; Y278-F318 HydrophobicContact CE2-CD1 4.27Å; Y278-F318 AromaticContact CE2-CD2 3.8Å; Y278-F318 HydrophobicContact CE2-CD2 3.8Å; Y278-F318 HydrophobicContact CE2-CE2 4.44Å; Y278-F318 AromaticContact CE2-CG 3.7Å; Y278-F318 HydrophobicContact CE2-CG 3.7Å; Y278-T320 HydrophobicContact CD1-CG2 4.41Å; Y278-T320 HydrophobicContact CD2-CG2 3.74Å; Y278-T320 HydrophobicContact CG-CG2 3.59Å
279	V	93.3	Very high	87.6	Confident	66 Å²	66	68.3 Å²	68.3	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-51.2	-176.8	178.2	0	0	0	0	109.6	S277 M281 M282 E283	S277-V279 PolarHBondContact O-N 3.39Å; V279-M281 PolarHBondContact O-N 3.24Å; V279-M282 WeakPolarHBondContact O-CB 3.3Å; V279-M282 PolarHBondContact O-N 2.94Å; V279-M282 VanDerWaalsContact O-N 3.12Å; V279-E283 HydrophobicContact CG1-CG 4.38Å; V279-E283 WeakPolarHBondContact CG1-OE1 3.07Å; V279-E283 WeakPolarHBondContact O-CG 3.31Å; V279-E283 PolarHBondContact O-N 2.9Å
280	E	95.1	Very high	89.5	Confident	54 Å²	54	62.5 Å²	62.5	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-39.8	179	179	-178.9	-160.4	0	0	113.4	R236 V276 S277 T284	R236-E280 IonicContact CZ-OE1 3.69Å; R236-E280 IonicContact CZ-OE2 2.68Å; R236-E280 IonicContact NH1-OE1 3.23Å; R236-E280 PolarHBondContact NH1-OE1 3.27Å; R236-E280 VanDerWaalsContact NH2-CD 3.26Å; R236-E280 IonicContact NH2-OE1 2.85Å; R236-E280 PolarHBondContact NH2-OE1 2.88Å; R236-E280 IonicContact NH2-OE2 3.68Å; R236-E280 PolarHBondContact NH2-OE2 3.23Å; V276-E280 WeakPolarHBondContact CA-OE2 3.16Å; V276-E280 HydrophobicContact CG1-CB 4.28Å; V276-E280 HydrophobicContact CG1-CG 3.81Å; V276-E280 WeakPolarHBondContact CG1-OE2 3.47Å; S277-E280 PolarHBondContact N-OE2 2.89Å; S277-E280 PolarHBondContact O-N 3.24Å; S277-E280 VanDerWaalsContact OG-CB 3.26Å; S277-E280 WeakPolarHBondContact OG-CB 3.23Å; S277-E280 PolarHBondContact OG-N 2.73Å; E280-T284 VanDerWaalsContact O-CB 3.28Å; E280-T284 WeakPolarHBondContact O-CB 3.38Å; E280-T284 PolarHBondContact O-N 3.27Å; E280-T284 PolarHBondContact O-OG1 2.74Å
281	M	96.5	Very high	91.3	Very high	1 Å²	1	64 Å²	64	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-44	172.5	-69.4	-173.3	-83.5	0	0	111.1	V234 L243 F259 E261 V276 S277 V279 T284 I285 F318	V234-M281 HydrophobicContact CB-SD 3.78Å; V234-M281 HydrophobicContact CG1-SD 4.05Å; V234-M281 HydrophobicContact CG2-SD 3.68Å; L243-M281 HydrophobicContact CD1-CB 4.3Å; L243-M281 HydrophobicContact CD1-CG 3.99Å; L243-M281 HydrophobicContact CD2-CB 4.38Å; L243-M281 HydrophobicContact CD2-CG 4.04Å; L243-M281 HydrophobicContact CD2-SD 4.1Å; F259-M281 HydrophobicContact CB-SD 3.8Å; F259-M281 HydrophobicContact CG-SD 4.48Å; E261-M281 HydrophobicContact CG-CE 3.81Å; V276-M281 HydrophobicContact CB-CG 4.25Å; V276-M281 HydrophobicContact CG1-CG 3.57Å; S277-M281 WeakPolarHBondContact O-CG 3.48Å; S277-M281 PolarHBondContact O-N 2.75Å; V279-M281 PolarHBondContact O-N 3.24Å; M281-T284 PolarHBondContact O-N 3.15Å; M281-I285 WeakPolarHBondContact O-CD1 3.29Å; M281-I285 VanDerWaalsContact O-CG1 3.32Å; M281-I285 WeakPolarHBondContact O-CG1 3.43Å; M281-I285 PolarHBondContact O-N 2.86Å; M281-F318 HydrophobicContact CB-CD1 4.33Å; M281-F318 HydrophobicContact CB-CE1 3.87Å; M281-F318 HydrophobicContact CE-CD1 4.49Å
282	M	95.8	Very high	92.5	Very high	11 Å²	11	62.5 Å²	62.5	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-47.8	177.7	-179.3	63.3	72.7	0	0	111.5	Y278 V279 T284 I285 Q286 L292 Y307 F318	Y278-M282 HydrophobicContact CE2-CE 3.99Å; Y278-M282 WeakPolarHBondContact O-CB 3.15Å; Y278-M282 PolarHBondContact O-N 2.88Å; V279-M282 WeakPolarHBondContact O-CB 3.3Å; V279-M282 PolarHBondContact O-N 2.94Å; V279-M282 VanDerWaalsContact O-N 3.12Å; M282-T284 VanDerWaalsContact C-N 3.29Å; M282-T284 PolarHBondContact O-N 3.19Å; M282-I285 PolarHBondContact O-N 2.77Å; M282-Q286 HydrophobicContact CG-CG 4.19Å; M282-Q286 WeakPolarHBondContact O-CB 3.47Å; M282-Q286 VanDerWaalsContact O-CG 3.26Å; M282-Q286 WeakPolarHBondContact O-CG 3.4Å; M282-Q286 PolarHBondContact O-N 2.74Å; M282-Q286 HydrophobicContact SD-CG 3.99Å; M282-L292 HydrophobicContact SD-CD2 4.41Å; M282-Y307 HydrophobicContact CE-CD1 3.88Å; M282-Y307 HydrophobicContact CE-CD2 3.71Å; M282-Y307 HydrophobicContact CE-CE1 3.77Å; M282-Y307 HydrophobicContact CE-CE2 3.58Å; M282-Y307 HydrophobicContact CE-CG 3.88Å; M282-F318 HydrophobicContact CE-CD2 3.99Å; M282-F318 HydrophobicContact CE-CE2 3.36Å; M282-F318 HydrophobicContact CE-CZ 3.85Å; M282-F318 HydrophobicContact SD-CE2 4.44Å; M282-F318 HydrophobicContact SD-CZ 4.45Å
283	E	96.8	Very high	93.5	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-39.7	176.3	-73	168	169.8	0	0	111.8	V279 Q286 R287	V279-E283 HydrophobicContact CG1-CG 4.38Å; V279-E283 WeakPolarHBondContact CG1-OE1 3.07Å; V279-E283 WeakPolarHBondContact O-CG 3.31Å; V279-E283 PolarHBondContact O-N 2.9Å; E283-Q286 PolarHBondContact O-N 2.94Å; E283-R287 WeakPolarHBondContact O-CB 3.47Å; E283-R287 VanDerWaalsContact O-CG 3.27Å; E283-R287 WeakPolarHBondContact O-CG 3.18Å; E283-R287 PolarHBondContact O-N 3.49Å; E283-R287 PolarHBondContact O-NE 2.78Å
284	T	96.9	Very high	94	Very high	31 Å²	31	60.4 Å²	60.4	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-41.8	177.2	-60.5	0	0	0	0	112.3	L243 E280 M281 M282 R287	L243-T284 HydrophobicContact CD1-CG2 4.11Å; E280-T284 VanDerWaalsContact O-CB 3.28Å; E280-T284 WeakPolarHBondContact O-CB 3.38Å; E280-T284 PolarHBondContact O-N 3.27Å; E280-T284 PolarHBondContact O-OG1 2.74Å; M281-T284 PolarHBondContact O-N 3.15Å; M282-T284 VanDerWaalsContact C-N 3.29Å; M282-T284 PolarHBondContact O-N 3.19Å; T284-R287 PolarHBondContact OG1-NH2 3.37Å
285	I	97.7	Very high	94.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-43	176.4	-69.2	163.1	0	0	0	110.7	V247 F259 M281 M282 R287 R288 F289 L292 F318	V247-I285 HydrophobicContact CG1-CG2 4.36Å; V247-I285 HydrophobicContact CG2-CD1 3.77Å; V247-I285 HydrophobicContact CG2-CG1 3.92Å; V247-I285 HydrophobicContact CG2-CG2 4.03Å; F259-I285 HydrophobicContact CD2-CD1 4.09Å; F259-I285 HydrophobicContact CE2-CD1 3.63Å; F259-I285 HydrophobicContact CZ-CD1 4.47Å; M281-I285 WeakPolarHBondContact O-CD1 3.29Å; M281-I285 VanDerWaalsContact O-CG1 3.32Å; M281-I285 WeakPolarHBondContact O-CG1 3.43Å; M281-I285 PolarHBondContact O-N 2.86Å; M282-I285 PolarHBondContact O-N 2.77Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.19Å; I285-R288 PolarHBondContact O-N 3.11Å; I285-R288 VanDerWaalsContact O-N 3.12Å; I285-F289 HydrophobicContact CG2-CD2 3.98Å; I285-F289 WeakPolarHBondContact O-CD2 3.48Å; I285-F289 PolarHBondContact O-N 3.17Å; I285-L292 HydrophobicContact CG2-CD1 3.87Å; I285-L292 HydrophobicContact CG2-CD2 3.77Å; I285-L292 HydrophobicContact CG2-CG 4.49Å; I285-F318 HydrophobicContact CD1-CE1 4Å; I285-F318 HydrophobicContact CD1-CZ 3.77Å
286	Q	97.3	Very high	93.8	Very high	81 Å²	81	64.7 Å²	64.7	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-33.8	178.5	-75	177.3	-22.1	0	0	112.7	M282 E283 R288 G290 L292	M282-Q286 HydrophobicContact CG-CG 4.19Å; M282-Q286 WeakPolarHBondContact O-CB 3.47Å; M282-Q286 VanDerWaalsContact O-CG 3.26Å; M282-Q286 WeakPolarHBondContact O-CG 3.4Å; M282-Q286 PolarHBondContact O-N 2.74Å; M282-Q286 HydrophobicContact SD-CG 3.99Å; E283-Q286 PolarHBondContact O-N 2.94Å; Q286-R288 PolarHBondContact O-N 3.33Å; Q286-G290 WeakPolarHBondContact CA-O 3.44Å; Q286-G290 VanDerWaalsContact O-CA 3.29Å; Q286-G290 WeakPolarHBondContact O-CA 3.5Å; Q286-G290 PolarHBondContact O-N 3.25Å; Q286-L292 HydrophobicContact CG-CD1 4.47Å
287	R	97.4	Very high	92.3	Very high	191 Å²	191	71.8 Å²	71.8	72%	0.721	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-25.8	174.1	-78.9	-179.4	-65.6	138.8	-7.4	114.3	E283 T284 I285	E283-R287 WeakPolarHBondContact O-CB 3.47Å; E283-R287 VanDerWaalsContact O-CG 3.27Å; E283-R287 WeakPolarHBondContact O-CG 3.18Å; E283-R287 PolarHBondContact O-N 3.49Å; E283-R287 PolarHBondContact O-NE 2.78Å; T284-R287 PolarHBondContact OG1-NH2 3.37Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.19Å
288	R	97.4	Very high	90.3	Very high	124 Å²	124	79.4 Å²	79.4	47%	0.468	39%	0.386	S	S	.	.	H	α-helix	trans	-104.5	-29.8	178.4	-176.7	170.1	162.3	-175.8	-12.7	113.8	D245 I285 Q286	D245-R288 IonicContact OD1-CZ 2.77Å; D245-R288 VanDerWaalsContact OD1-CZ 3.25Å; D245-R288 IonicContact OD1-NH1 3.84Å; D245-R288 PolarHBondContact OD1-NH1 3.11Å; D245-R288 IonicContact OD1-NH2 3.73Å; D245-R288 PolarHBondContact OD1-NH2 2.84Å; I285-R288 PolarHBondContact O-N 3.11Å; I285-R288 VanDerWaalsContact O-N 3.12Å; Q286-R288 PolarHBondContact O-N 3.33Å
289	F	97.3	Very high	88.2	Confident	30 Å²	30	83.2 Å²	83.2	13%	0.132	41%	0.406	C	S	.	.	H	α-helix	trans	-117.4	-0.8	-172	-61.6	-76.8	0	0	0	114.8	C244 V247 E248 I285 L292 V309 F312	C244-F289 HydrophobicContact CB-CE2 4.06Å; C244-F289 WeakPolarHBondContact O-CE2 3.49Å; C244-F289 WeakPolarHBondContact O-CZ 3.26Å; V247-F289 HydrophobicContact CB-CD2 4.35Å; V247-F289 HydrophobicContact CB-CE2 3.81Å; V247-F289 HydrophobicContact CB-CZ 4.19Å; V247-F289 HydrophobicContact CG1-CD1 4.48Å; V247-F289 HydrophobicContact CG1-CD2 3.82Å; V247-F289 HydrophobicContact CG1-CE1 4.36Å; V247-F289 HydrophobicContact CG1-CE2 3.67Å; V247-F289 HydrophobicContact CG1-CG 4.22Å; V247-F289 HydrophobicContact CG1-CZ 3.96Å; E248-F289 HydrophobicContact CB-CZ 4.3Å; E248-F289 WeakPolarHBondContact OE2-CE1 3.45Å; I285-F289 HydrophobicContact CG2-CD2 3.98Å; I285-F289 WeakPolarHBondContact O-CD2 3.48Å; I285-F289 PolarHBondContact O-N 3.17Å; F289-L292 HydrophobicContact CB-CD1 4.22Å; F289-V309 HydrophobicContact CB-CG1 4.07Å; F289-V309 HydrophobicContact CB-CG2 4Å; F289-V309 HydrophobicContact CD1-CG1 4.36Å; F289-V309 HydrophobicContact CG-CG2 4.25Å; F289-F312 HydrophobicContact CD1-CE2 4.18Å; F289-F312 AromaticContact CD1-CZ 3.76Å; F289-F312 HydrophobicContact CD1-CZ 3.76Å; F289-F312 HydrophobicContact CE1-CE2 4.01Å; F289-F312 AromaticContact CE1-CZ 3.73Å; F289-F312 HydrophobicContact CE1-CZ 3.73Å
290	G	96.1	Very high	86.3	Confident	37 Å²	37	81.2 Å²	81.2	38%	0.381	39%	0.392	S	S	.	.			trans	68.5	-156.5	-175.8	0	0	0	0	0	113.2	Q286 L292	Q286-G290 WeakPolarHBondContact CA-O 3.44Å; Q286-G290 VanDerWaalsContact O-CA 3.29Å; Q286-G290 WeakPolarHBondContact O-CA 3.5Å; Q286-G290 PolarHBondContact O-N 3.25Å; G290-L292 VanDerWaalsContact O-CD1 3.25Å; G290-L292 WeakPolarHBondContact O-CD1 2.97Å; G290-L292 PolarHBondContact O-N 3.03Å
291	S	94	Very high	84.6	Confident	104 Å²	104	80.3 Å²	80.3	73%	0.727	39%	0.389	S	S	*	.			trans	-71.7	111.6	-175.2	-61.7	0	0	0	0	112.9
292	L	94.9	Very high	83	Confident	16 Å²	16	83.3 Å²	83.3	8%	0.084	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-74.8	131.4	172.8	-84.2	64.3	0	0	0	111.3	M282 I285 Q286 F289 G290 K294 Y307 V309	M282-L292 HydrophobicContact SD-CD2 4.41Å; I285-L292 HydrophobicContact CG2-CD1 3.87Å; I285-L292 HydrophobicContact CG2-CD2 3.77Å; I285-L292 HydrophobicContact CG2-CG 4.49Å; Q286-L292 HydrophobicContact CG-CD1 4.47Å; F289-L292 HydrophobicContact CB-CD1 4.22Å; G290-L292 VanDerWaalsContact O-CD1 3.25Å; G290-L292 WeakPolarHBondContact O-CD1 2.97Å; G290-L292 PolarHBondContact O-N 3.03Å; L292-K294 PolarHBondContact O-N 2.96Å; L292-Y307 HydrophobicContact CB-CD1 4.07Å; L292-V309 HydrophobicContact CD1-CG2 3.89Å; L292-V309 HydrophobicContact CD2-CG2 4.2Å; L292-V309 HydrophobicContact CG-CG2 3.81Å
293	R	94	Very high	81.8	Confident	153 Å²	153	83.4 Å²	83.4	58%	0.577	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.6	172.1	178.9	173.5	69.8	167.9	0.2	109.5	Y307 Q308	R293-Y307 CarbonylContact O-C 3.46Å; R293-Y307 VanDerWaalsContact O-CA 3.26Å; R293-Y307 WeakPolarHBondContact O-CA 2.96Å; R293-Q308 PolarHBondContact N-O 2.8Å; R293-Q308 PolarHBondContact O-N 3.45Å
294	K	92.3	Very high	81.1	Confident	140 Å²	140	79 Å²	79	61%	0.609	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.4	168.7	-168.4	-178.1	177.3	-169.2	0	109.8	L292 Y307	L292-K294 PolarHBondContact O-N 2.96Å; K294-Y307 HydrophobicContact CB-CD1 4.02Å; K294-Y307 HydrophobicContact CB-CE1 3.65Å; K294-Y307 HydrophobicContact CG-CD1 4.42Å; K294-Y307 HydrophobicContact CG-CE1 3.88Å
295	L	88.2	Confident	80.6	Confident	20 Å²	20	80 Å²	80	11%	0.105	39%	0.386	C	S	.	.			trans	-107.5	143.2	177.8	-66	177.8	0	0	0	111.1	M299 H300 G306 Q308 R315	L295-M299 HydrophobicContact CB-CB 4.48Å; L295-H300 VanDerWaalsContact CD1-NE2 3.28Å; L295-H300 WeakPolarHBondContact CD1-NE2 3.4Å; L295-G306 PolarHBondContact N-O 3.48Å; L295-Q308 HydrophobicContact CD1-CB 3.98Å; L295-Q308 HydrophobicContact CD2-CB 4.37Å; L295-Q308 HydrophobicContact CG-CB 4.24Å; L295-R315 HydrophobicContact CD1-CG 4.01Å
296	D	74.5	Confident	80.3	Confident	131 Å²	131	80.1 Å²	80.1	70%	0.701	39%	0.388	S	S	*	.			trans	-72.2	160.6	-174.5	-59.9	-62.2	0	0	0	113.7	E298 M299	D296-E298 VanDerWaalsContact C-N 3.27Å; D296-E298 PolarHBondContact O-N 2.71Å; D296-E298 VanDerWaalsContact O-N 3.14Å; D296-M299 WeakPolarHBondContact O-CB 3.24Å; D296-M299 PolarHBondContact O-N 2.71Å
297	N	58.9	Low	80.2	Confident	152 Å²	152	77.6 Å²	77.6	81%	0.813	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-58.8	-31.6	-168.9	-72.6	-22.3	0	0	0	114.1	M299 H300	N297-M299 PolarHBondContact O-N 2.89Å; N297-H300 PolarHBondContact O-N 2.75Å
298	E	50.6	Low	80.1	Confident	195 Å²	195	70 Å²	70	91%	0.911	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66.9	-23.9	177.3	-59.7	-160.4	144.9	0	0	113.2	D296	D296-E298 VanDerWaalsContact C-N 3.27Å; D296-E298 PolarHBondContact O-N 2.71Å; D296-E298 VanDerWaalsContact O-N 3.14Å
299	M	47	Very low	80.1	Confident	108 Å²	108	64.4 Å²	64.4	53%	0.532	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-85.8	-11.2	-179.2	-77.9	-71	160.6	0	0	113.6	L295 D296 N297 R315	L295-M299 HydrophobicContact CB-CB 4.48Å; D296-M299 WeakPolarHBondContact O-CB 3.24Å; D296-M299 PolarHBondContact O-N 2.71Å; N297-M299 PolarHBondContact O-N 2.89Å; M299-R315 PolarHBondContact O-NH1 2.8Å; M299-R315 PolarHBondContact SD-NH2 3.1Å
300	H	52.8	Low	80	Confident	24 Å²	24	67.1 Å²	67.1	11%	0.111	35%	0.348	C	S	.	.	S	Bend	trans	-131.9	172.7	-174.2	-81.5	-92.3	0	0	0	113.7	L295 N297 G306	L295-H300 VanDerWaalsContact CD1-NE2 3.28Å; L295-H300 WeakPolarHBondContact CD1-NE2 3.4Å; N297-H300 PolarHBondContact O-N 2.75Å; H300-G306 VanDerWaalsContact CE1-CA 3.49Å; H300-G306 WeakPolarHBondContact CE1-CA 3.44Å; H300-G306 WeakPolarHBondContact ND1-CA 3.43Å
301	D	60	Low	80	Confident	34 Å²	34	69.5 Å²	69.5	18%	0.182	37%	0.372	C	S	.	.			trans	-83.1	145.9	170.3	-68.6	-86.4	0	0	0	109.7	K229 R258 T303 S304	K229-D301 IonicContact NZ-OD2 2.74Å; K229-D301 PolarHBondContact NZ-OD2 2.81Å; R258-D301 IonicContact CZ-OD2 2.86Å; R258-D301 VanDerWaalsContact CZ-OD2 3.23Å; R258-D301 IonicContact NH1-OD2 2.62Å; R258-D301 PolarHBondContact NH1-OD2 2.82Å; R258-D301 IonicContact NH2-OD2 2.65Å; R258-D301 PolarHBondContact NH2-OD2 3.09Å; D301-T303 PolarHBondContact O-N 3Å; D301-S304 PolarHBondContact O-N 2.7Å; D301-S304 PolarHBondContact O-OG 2.97Å; D301-S304 VanDerWaalsContact O-OG 3.11Å
302	E	64.2	Low	80.1	Confident	64 Å²	64	65.2 Å²	65.2	30%	0.299	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-10.2	175.8	-61.5	146.8	-140.9	0	0	115.3	K123 T329 S331	K123-E302 IonicContact NZ-OE1 2.64Å; K123-E302 PolarHBondContact NZ-OE1 3.33Å; E302-T329 PolarHBondContact O-OG1 3.32Å; E302-S331 WeakPolarHBondContact OE2-CB 3.3Å; E302-S331 PolarHBondContact OE2-N 2.8Å; E302-S331 PolarHBondContact OE2-OG 2.97Å
303	T	70.4	Confident	80.1	Confident	14 Å²	14	72.2 Å²	72.2	9%	0.086	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	4.6	-175.9	72.4	0	0	0	0	113.8	D301 F326 R332	D301-T303 PolarHBondContact O-N 3Å; T303-F326 HydrophobicContact CG2-CD2 3.78Å; T303-F326 HydrophobicContact CG2-CE2 3.49Å; T303-F326 VanDerWaalsContact CG2-CE2 3.49Å; T303-F326 HydrophobicContact CG2-CZ 4.33Å; T303-R332 HydrophobicContact CG2-CG 4.44Å
304	S	81.6	Confident	80.2	Confident	10 Å²	10	65 Å²	65	7%	0.07	34%	0.338	C	S	.	.	S	Bend	trans	-139.1	122.7	-176	56.5	0	0	0	0	110.8	D301 G306 F318	D301-S304 PolarHBondContact O-N 2.7Å; D301-S304 PolarHBondContact O-OG 2.97Å; D301-S304 VanDerWaalsContact O-OG 3.11Å; S304-G306 PolarHBondContact O-N 2.62Å; S304-F318 WeakPolarHBondContact CA-O 3.38Å
305	K	87.2	Confident	80.3	Confident	52 Å²	52	61 Å²	61	23%	0.226	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	113.7	171.8	-63.4	161.8	177.7	154.7	0	108.5	Y278 Y307 G317 F318 T320	Y278-K305 HydrophobicContact CD2-CD 4.49Å; Y278-K305 HydrophobicContact CE1-CD 4.5Å; Y278-K305 HydrophobicContact CE2-CD 4.14Å; K305-Y307 HydrophobicContact CB-CE2 3.84Å; K305-G317 WeakPolarHBondContact O-CA 3.42Å; K305-F318 PolarHBondContact N-O 2.83Å; K305-F318 PolarHBondContact O-N 3.4Å; K305-T320 HydrophobicContact CD-CG2 4.02Å; K305-T320 VanDerWaalsContact NZ-CG2 3.3Å; K305-T320 PolarHBondContact NZ-OG1 2.91Å
306	G	91.3	Very high	80.7	Confident	3 Å²	3	60 Å²	60	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.4	-175.2	0	0	0	0	0	113.9	L295 H300 S304	L295-G306 PolarHBondContact N-O 3.48Å; H300-G306 VanDerWaalsContact CE1-CA 3.49Å; H300-G306 WeakPolarHBondContact CE1-CA 3.44Å; H300-G306 WeakPolarHBondContact ND1-CA 3.43Å; S304-G306 PolarHBondContact O-N 2.62Å
307	Y	94.9	Very high	81.6	Confident	28 Å²	28	53.8 Å²	53.8	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.7	-179.8	-70.3	-89.3	0	0	0	111.4	Y278 M282 L292 R293 K294 K305 V316 F318	Y278-Y307 HydrophobicContact CE2-CE2 4.44Å; Y278-Y307 PolarHBondContact OH-OH 3.21Å; M282-Y307 HydrophobicContact CE-CD1 3.88Å; M282-Y307 HydrophobicContact CE-CD2 3.71Å; M282-Y307 HydrophobicContact CE-CE1 3.77Å; M282-Y307 HydrophobicContact CE-CE2 3.58Å; M282-Y307 HydrophobicContact CE-CG 3.88Å; L292-Y307 HydrophobicContact CB-CD1 4.07Å; R293-Y307 CarbonylContact O-C 3.46Å; R293-Y307 VanDerWaalsContact O-CA 3.26Å; R293-Y307 WeakPolarHBondContact O-CA 2.96Å; K294-Y307 HydrophobicContact CB-CD1 4.02Å; K294-Y307 HydrophobicContact CB-CE1 3.65Å; K294-Y307 HydrophobicContact CG-CD1 4.42Å; K294-Y307 HydrophobicContact CG-CE1 3.88Å; K305-Y307 HydrophobicContact CB-CE2 3.84Å; Y307-V316 WeakPolarHBondContact CA-O 3.31Å; Y307-V316 PolarHBondContact N-O 2.8Å; Y307-V316 PolarHBondContact O-N 3.35Å; Y307-V316 VanDerWaalsContact O-O 3.07Å; Y307-F318 AromaticContact CD2-CD2 3.73Å; Y307-F318 HydrophobicContact CD2-CD2 3.73Å; Y307-F318 AromaticContact CD2-CE2 3.79Å; Y307-F318 HydrophobicContact CD2-CE2 3.79Å; Y307-F318 HydrophobicContact CE2-CD2 4.07Å; Y307-F318 HydrophobicContact CE2-CE2 4.36Å; Y307-F318 HydrophobicContact CG-CE2 4.4Å
308	Q	95	Very high	83.2	Confident	31 Å²	31	46.6 Å²	46.6	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132	174.9	-178.5	170.8	47.6	0	0	109.8	R293 L295 F312 G314	R293-Q308 PolarHBondContact N-O 2.8Å; R293-Q308 PolarHBondContact O-N 3.45Å; L295-Q308 HydrophobicContact CD1-CB 3.98Å; L295-Q308 HydrophobicContact CD2-CB 4.37Å; L295-Q308 HydrophobicContact CG-CB 4.24Å; Q308-F312 PolarHBondContact NE2-O 3.17Å; Q308-G314 PolarHBondContact NE2-O 2.97Å
309	V	96.9	Very high	84.9	Confident	7 Å²	7	38 Å²	38	4%	0.042	20%	0.203	C	C	.	.			trans	-68.8	132.7	167.8	179.9	0	0	0	0	107.9	V247 F289 L292 G311 F312	V247-V309 HydrophobicContact CG1-CG2 3.78Å; F289-V309 HydrophobicContact CB-CG1 4.07Å; F289-V309 HydrophobicContact CB-CG2 4Å; F289-V309 HydrophobicContact CD1-CG1 4.36Å; F289-V309 HydrophobicContact CG-CG2 4.25Å; L292-V309 HydrophobicContact CD1-CG2 3.89Å; L292-V309 HydrophobicContact CD2-CG2 4.2Å; L292-V309 HydrophobicContact CG-CG2 3.81Å; V309-G311 PolarHBondContact O-N 3.3Å; V309-F312 HydrophobicContact CB-CB 4.09Å; V309-F312 HydrophobicContact CB-CD1 3.82Å; V309-F312 HydrophobicContact CB-CD2 3.76Å; V309-F312 HydrophobicContact CB-CE1 4.17Å; V309-F312 HydrophobicContact CB-CE2 4.12Å; V309-F312 HydrophobicContact CB-CG 3.62Å; V309-F312 HydrophobicContact CB-CZ 4.32Å; V309-F312 HydrophobicContact CG1-CD1 3.59Å; V309-F312 HydrophobicContact CG1-CD2 4.2Å; V309-F312 HydrophobicContact CG1-CE1 3.56Å; V309-F312 HydrophobicContact CG1-CE2 4.18Å; V309-F312 HydrophobicContact CG1-CG 3.94Å; V309-F312 HydrophobicContact CG1-CZ 3.88Å; V309-F312 HydrophobicContact CG2-CD2 4.11Å; V309-F312 HydrophobicContact CG2-CE2 4.22Å; V309-F312 HydrophobicContact CG2-CG 4.46Å; V309-F312 WeakPolarHBondContact O-CB 3.37Å; V309-F312 PolarHBondContact O-N 2.98Å
310	P	95.9	Very high	86.7	Confident	87 Å²	87	33 Å²	33	57%	0.565	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.2	177.9	-28.7	36.5	0	0	0	112.6	F312	P310-F312 VanDerWaalsContact C-N 3.28Å; P310-F312 PolarHBondContact O-N 2.79Å
311	G	95.1	Very high	87.5	Confident	86 Å²	86	32.3 Å²	32.3	89%	0.887	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	-8.4	-177.6	0	0	0	0	0	116.2	V309	V309-G311 PolarHBondContact O-N 3.3Å
312	F	96.6	Very high	88.2	Confident	15 Å²	15	32.9 Å²	32.9	7%	0.066	18%	0.179	C	C	.	.			trans	-82.4	139	179.3	-76.6	34.1	0	0	0	111.3	V247 R251 F289 Q308 V309 P310	V247-F312 HydrophobicContact CG1-CE2 4.33Å; R251-F312 VanDerWaalsContact CA-CD2 3.43Å; R251-F312 HydrophobicContact CB-CD1 4.31Å; R251-F312 HydrophobicContact CB-CD2 3.85Å; R251-F312 HydrophobicContact CB-CE1 4.23Å; R251-F312 HydrophobicContact CB-CE2 3.77Å; R251-F312 HydrophobicContact CB-CG 4.12Å; R251-F312 HydrophobicContact CB-CZ 3.96Å; R251-F312 HydrophobicContact CG-CD1 3.94Å; R251-F312 HydrophobicContact CG-CD2 4.39Å; R251-F312 HydrophobicContact CG-CE1 3.82Å; R251-F312 HydrophobicContact CG-CE2 4.28Å; R251-F312 HydrophobicContact CG-CG 4.23Å; R251-F312 HydrophobicContact CG-CZ 3.99Å; F289-F312 HydrophobicContact CD1-CE2 4.18Å; F289-F312 AromaticContact CD1-CZ 3.76Å; F289-F312 HydrophobicContact CD1-CZ 3.76Å; F289-F312 HydrophobicContact CE1-CE2 4.01Å; F289-F312 AromaticContact CE1-CZ 3.73Å; F289-F312 HydrophobicContact CE1-CZ 3.73Å; Q308-F312 PolarHBondContact NE2-O 3.17Å; V309-F312 HydrophobicContact CB-CB 4.09Å; V309-F312 HydrophobicContact CB-CD1 3.82Å; V309-F312 HydrophobicContact CB-CD2 3.76Å; V309-F312 HydrophobicContact CB-CE1 4.17Å; V309-F312 HydrophobicContact CB-CE2 4.12Å; V309-F312 HydrophobicContact CB-CG 3.62Å; V309-F312 HydrophobicContact CB-CZ 4.32Å; V309-F312 HydrophobicContact CG1-CD1 3.59Å; V309-F312 HydrophobicContact CG1-CD2 4.2Å; V309-F312 HydrophobicContact CG1-CE1 3.56Å; V309-F312 HydrophobicContact CG1-CE2 4.18Å; V309-F312 HydrophobicContact CG1-CG 3.94Å; V309-F312 HydrophobicContact CG1-CZ 3.88Å; V309-F312 HydrophobicContact CG2-CD2 4.11Å; V309-F312 HydrophobicContact CG2-CE2 4.22Å; V309-F312 HydrophobicContact CG2-CG 4.46Å; V309-F312 WeakPolarHBondContact O-CB 3.37Å; V309-F312 PolarHBondContact O-N 2.98Å; P310-F312 VanDerWaalsContact C-N 3.28Å; P310-F312 PolarHBondContact O-N 2.79Å
313	R	95.3	Very high	88.6	Confident	163 Å²	163	32.2 Å²	32.2	62%	0.615	18%	0.181	S	C	*	.	S	Bend	trans	-69.8	-40.8	-179	-173.8	-173	-178.3	-178.5	0.5	113.1	T250 R251 T252	T250-R313 PolarHBondContact O-N 3.29Å; R251-R313 WeakPolarHBondContact O-CB 3.35Å; R251-R313 PolarHBondContact O-N 3.36Å; T252-R313 WeakPolarHBondContact O-CD 3.27Å; T252-R313 PolarHBondContact O-NH1 3.04Å
314	G	95.3	Very high	88.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-84.2	-163.3	-179.6	0	0	0	0	0	113.2	T250 R253 L255 Q308	T250-G314 WeakPolarHBondContact O-CA 3.38Å; T250-G314 PolarHBondContact O-N 2.94Å; R253-G314 WeakPolarHBondContact O-CA 3.48Å; R253-G314 PolarHBondContact O-N 3.19Å; L255-G314 CarbonylContact O-C 3.59Å; L255-G314 WeakPolarHBondContact O-CA 3.5Å; Q308-G314 PolarHBondContact NE2-O 2.97Å
315	R	95.5	Very high	88.3	Confident	56 Å²	56	38.5 Å²	38.5	21%	0.211	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.7	-172.5	-54	-178.9	-172.3	-171.8	-2.6	110.8	I227 L255 D256 V257 L295 M299	I227-R315 HydrophobicContact CD1-CG 4.15Å; L255-R315 PolarHBondContact O-N 2.8Å; D256-R315 WeakPolarHBondContact CA-O 3.47Å; D256-R315 HydrophobicContact CB-CB 4.43Å; V257-R315 PolarHBondContact N-O 3.14Å; L295-R315 HydrophobicContact CD1-CG 4.01Å; M299-R315 PolarHBondContact O-NH1 2.8Å; M299-R315 PolarHBondContact SD-NH2 3.1Å
316	V	95.3	Very high	87.8	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.7	173.5	-175	0	0	0	0	108.5	V247 V257 F259 Y307 F318	V247-V316 HydrophobicContact CB-CG2 4.4Å; V247-V316 HydrophobicContact CG1-CG2 4.03Å; V247-V316 HydrophobicContact CG2-CG1 4.31Å; V247-V316 HydrophobicContact CG2-CG2 3.81Å; V257-V316 CarbonylContact O-C 3.29Å; V257-V316 WeakPolarHBondContact O-CA 3.4Å; F259-V316 HydrophobicContact CD2-CG1 3.85Å; F259-V316 HydrophobicContact CE2-CG1 3.65Å; Y307-V316 WeakPolarHBondContact CA-O 3.31Å; Y307-V316 PolarHBondContact N-O 2.8Å; Y307-V316 PolarHBondContact O-N 3.35Å; Y307-V316 VanDerWaalsContact O-O 3.07Å; V316-F318 HydrophobicContact CG1-CE2 3.79Å; V316-F318 HydrophobicContact CG1-CZ 3.77Å
317	G	93.4	Very high	87.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.6	178.3	0	0	0	0	0	112.1	V257 R258 F259 K305	V257-G317 PolarHBondContact O-N 2.96Å; R258-G317 CarbonylContact C-O 3.55Å; R258-G317 VanDerWaalsContact CA-O 3.29Å; R258-G317 WeakPolarHBondContact CA-O 3.3Å; F259-G317 PolarHBondContact N-O 2.7Å; K305-G317 WeakPolarHBondContact O-CA 3.42Å
318	F	92.2	Very high	86.4	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.3	175.7	-57.1	-91.8	0	0	0	110.8	F259 Y278 M281 M282 I285 S304 K305 Y307 V316 T320	F259-F318 HydrophobicContact CB-CD1 4.12Å; F259-F318 HydrophobicContact CB-CE1 4.4Å; F259-F318 HydrophobicContact CD2-CD1 4.25Å; F259-F318 AromaticContact CD2-CE1 3.77Å; F259-F318 HydrophobicContact CD2-CE1 3.77Å; F259-F318 HydrophobicContact CD2-CZ 4.27Å; F259-F318 WeakPolarHBondContact O-CA 3.22Å; Y278-F318 HydrophobicContact CD2-CB 3.53Å; Y278-F318 AromaticContact CD2-CD1 3.91Å; Y278-F318 HydrophobicContact CD2-CD1 3.91Å; Y278-F318 HydrophobicContact CD2-CD2 4.22Å; Y278-F318 AromaticContact CD2-CG 3.62Å; Y278-F318 HydrophobicContact CD2-CG 3.62Å; Y278-F318 HydrophobicContact CE2-CB 3.84Å; Y278-F318 HydrophobicContact CE2-CD1 4.27Å; Y278-F318 AromaticContact CE2-CD2 3.8Å; Y278-F318 HydrophobicContact CE2-CD2 3.8Å; Y278-F318 HydrophobicContact CE2-CE2 4.44Å; Y278-F318 AromaticContact CE2-CG 3.7Å; Y278-F318 HydrophobicContact CE2-CG 3.7Å; M281-F318 HydrophobicContact CB-CD1 4.33Å; M281-F318 HydrophobicContact CB-CE1 3.87Å; M281-F318 HydrophobicContact CE-CD1 4.49Å; M282-F318 HydrophobicContact CE-CD2 3.99Å; M282-F318 HydrophobicContact CE-CE2 3.36Å; M282-F318 HydrophobicContact CE-CZ 3.85Å; M282-F318 HydrophobicContact SD-CE2 4.44Å; M282-F318 HydrophobicContact SD-CZ 4.45Å; I285-F318 HydrophobicContact CD1-CE1 4Å; I285-F318 HydrophobicContact CD1-CZ 3.77Å; S304-F318 WeakPolarHBondContact CA-O 3.38Å; K305-F318 PolarHBondContact N-O 2.83Å; K305-F318 PolarHBondContact O-N 3.4Å; Y307-F318 AromaticContact CD2-CD2 3.73Å; Y307-F318 HydrophobicContact CD2-CD2 3.73Å; Y307-F318 AromaticContact CD2-CE2 3.79Å; Y307-F318 HydrophobicContact CD2-CE2 3.79Å; Y307-F318 HydrophobicContact CE2-CD2 4.07Å; Y307-F318 HydrophobicContact CE2-CE2 4.36Å; Y307-F318 HydrophobicContact CG-CE2 4.4Å; V316-F318 HydrophobicContact CG1-CE2 3.79Å; V316-F318 HydrophobicContact CG1-CZ 3.77Å; F318-T320 HydrophobicContact CB-CG2 4.13Å
319	I	87.6	Confident	85.7	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.072	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	94.9	176.2	-60.3	-176.2	0	0	0	107.3	R258 F259 I260 E261 S321 F326	R258-I319 HydrophobicContact CB-CD1 4.43Å; F259-I319 PolarHBondContact O-N 3.04Å; I260-I319 HydrophobicContact CB-CB 4.46Å; I260-I319 HydrophobicContact CD1-CD1 4.46Å; I260-I319 HydrophobicContact CG1-CB 3.9Å; I260-I319 HydrophobicContact CG1-CD1 3.89Å; I260-I319 HydrophobicContact CG1-CG1 4.23Å; I260-I319 HydrophobicContact CG1-CG2 4.42Å; E261-I319 PolarHBondContact N-O 3.18Å; I319-S321 VanDerWaalsContact C-N 3.32Å; I319-S321 PolarHBondContact O-N 3.06Å; I319-F326 HydrophobicContact CG2-CE1 4.29Å
320	T	83.7	Confident	85.1	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.253	C	S	.	.			trans	-89.4	71.8	-170.6	62.1	0	0	0	0	110.7	E261 Y278 K305 F318 M322 Q324	E261-T320 WeakPolarHBondContact OE2-CA 3.5Å; Y278-T320 HydrophobicContact CD1-CG2 4.41Å; Y278-T320 HydrophobicContact CD2-CG2 3.74Å; Y278-T320 HydrophobicContact CG-CG2 3.59Å; K305-T320 HydrophobicContact CD-CG2 4.02Å; K305-T320 VanDerWaalsContact NZ-CG2 3.3Å; K305-T320 PolarHBondContact NZ-OG1 2.91Å; F318-T320 HydrophobicContact CB-CG2 4.13Å; T320-M322 VanDerWaalsContact C-N 3.32Å; T320-Q324 CarbonylContact O-C 3.51Å; T320-Q324 PolarHBondContact OG1-O 2.8Å
321	S	71.2	Confident	84.7	Confident	10 Å²	10	42.3 Å²	42.3	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-72.3	-19.3	-174	43.8	0	0	0	0	114.5	E261 M263 I319	E261-S321 PolarHBondContact O-OG 3.2Å; E261-S321 VanDerWaalsContact O-OG 3.09Å; E261-S321 PolarHBondContact OE2-N 3.27Å; E261-S321 VanDerWaalsContact OE2-N 3.16Å; M263-S321 VanDerWaalsContact SD-CB 3.55Å; I319-S321 VanDerWaalsContact C-N 3.32Å; I319-S321 PolarHBondContact O-N 3.06Å
322	M	73	Confident	84.4	Confident	47 Å²	47	40.9 Å²	40.9	23%	0.232	20%	0.195	C	C	.	.	S	Bend	trans	-124.1	-36.2	-174.7	-66.5	-62.1	-57.7	0	0	113.2	E261 M263 P264 M275 T320	E261-M322 PolarHBondContact OE2-N 2.88Å; M263-M322 HydrophobicContact CB-SD 4.4Å; M263-M322 HydrophobicContact CE-CG 4.35Å; M263-M322 HydrophobicContact CE-SD 3.54Å; M263-M322 VanDerWaalsContact CE-SD 3.54Å; M263-M322 HydrophobicContact CG-CG 4.11Å; M263-M322 HydrophobicContact CG-SD 4.21Å; P264-M322 HydrophobicContact CG-CE 4.15Å; M275-M322 HydrophobicContact CE-CB 3.6Å; M275-M322 HydrophobicContact SD-CB 3.75Å; M275-M322 HydrophobicContact SD-CG 4.26Å; T320-M322 VanDerWaalsContact C-N 3.32Å
323	S	73.9	Confident	84.2	Confident	49 Å²	49	40.3 Å²	40.3	34%	0.343	19%	0.193	S	C	.	.	S	Bend	trans	-86.7	-35.1	-175.2	65.3	0	0	0	0	114.5	E261	E261-S323 VanDerWaalsContact CD-OG 3.25Å; E261-S323 WeakPolarHBondContact OE1-CB 3.44Å; E261-S323 PolarHBondContact OE1-OG 3.46Å; E261-S323 PolarHBondContact OE2-N 3.06Å; E261-S323 PolarHBondContact OE2-OG 3.15Å
324	Q	75.7	Confident	84	Confident	96 Å²	96	33.6 Å²	33.6	45%	0.449	17%	0.167	S	C	.	.	S	Bend	trans	-149.2	93.1	-171.2	-69.4	-171.9	1.5	0	0	111	T320 F326	T320-Q324 CarbonylContact O-C 3.51Å; T320-Q324 PolarHBondContact OG1-O 2.8Å; Q324-F326 PolarHBondContact O-N 2.76Å
325	H	70.2	Confident	83.8	Confident	61 Å²	61	33.8 Å²	33.8	28%	0.282	17%	0.168	S	C	.	.			trans	-59.9	119.5	-173.8	-68.7	-59.9	0	0	0	114.6	C327 H381 D383	H325-C327 PolarHBondContact O-N 2.82Å; H325-H381 AromaticContact CE1-CE1 3.43Å; H325-H381 PolarHBondContact CE1-CE1 2.9Å; H325-H381 VanDerWaalsContact CE1-CE1 3.43Å; H325-H381 AromaticContact CE1-NE2 3.32Å; H325-H381 PolarHBondContact CE1-NE2 2.82Å; H325-H381 VanDerWaalsContact CE1-NE2 3.32Å; H325-H381 AromaticContact ND1-CE1 3.19Å; H325-H381 PolarHBondContact ND1-CE1 2.67Å; H325-H381 AromaticContact ND1-NE2 3.61Å; H325-D383 IonicContact CD2-OD2 2.65Å; H325-D383 IonicContact CE1-OD1 2.73Å; H325-D383 PolarHBondContact CE1-OD1 2.85Å; H325-D383 IonicContact CE1-OD2 3.69Å; H325-D383 VanDerWaalsContact NE2-CG 3.28Å; H325-D383 IonicContact NE2-OD1 3.31Å; H325-D383 PolarHBondContact NE2-OD1 2.97Å; H325-D383 IonicContact NE2-OD2 3.74Å; H325-D383 PolarHBondContact NE2-OD2 3.19Å
326	F	75.2	Confident	83.4	Confident	42 Å²	42	31.9 Å²	31.9	18%	0.184	16%	0.163	C	C	.	.			trans	-85.5	25.6	169.4	59.1	-90.1	0	0	0	113.1	T303 I319 Q324 E328 T329	T303-F326 HydrophobicContact CG2-CD2 3.78Å; T303-F326 HydrophobicContact CG2-CE2 3.49Å; T303-F326 VanDerWaalsContact CG2-CE2 3.49Å; T303-F326 HydrophobicContact CG2-CZ 4.33Å; I319-F326 HydrophobicContact CG2-CE1 4.29Å; Q324-F326 PolarHBondContact O-N 2.76Å; F326-E328 VanDerWaalsContact C-N 3.34Å; F326-E328 PolarHBondContact O-N 3.34Å; F326-T329 PolarHBondContact O-OG1 2.89Å
327	C	79	Confident	82.9	Confident	15 Å²	15	32.3 Å²	32.3	10%	0.101	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-67	-33.9	-173.2	-72.6	0	0	0	0	113.1	R42 H325 T329 C330 K379 H380 H381	R42-C327 PolarHBondContact NH1-O 3.49Å; H325-C327 PolarHBondContact O-N 2.82Å; C327-T329 PolarHBondContact O-N 2.99Å; C327-C330 VanDerWaalsContact O-CB 3.24Å; C327-C330 WeakPolarHBondContact O-CB 3.41Å; C327-C330 PolarHBondContact O-N 2.97Å; C327-C330 VanDerWaalsContact O-N 3.1Å; C327-K379 WeakPolarHBondContact CB-O 3.33Å; C327-H380 HydrophobicContact CB-CB 3.94Å; C327-H381 PolarHBondContact SG-ND1 3.25Å
328	E	79.4	Confident	82.5	Confident	126 Å²	126	34.9 Å²	34.9	59%	0.589	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-65.7	-25.4	-173.3	-56.7	-167.9	134.5	0	0	113.1	R42 F326 K379	R42-E328 WeakPolarHBondContact CD-O 3.3Å; F326-E328 VanDerWaalsContact C-N 3.34Å; F326-E328 PolarHBondContact O-N 3.34Å; E328-K379 WeakPolarHBondContact OE1-CE 3.35Å; E328-K379 IonicContact OE1-NZ 2.76Å; E328-K379 PolarHBondContact OE1-NZ 3.24Å
329	T	79.5	Confident	82.3	Confident	86 Å²	86	35 Å²	35	53%	0.528	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-99.8	3.5	175.9	53	0	0	0	0	114	E302 F326 C327 S331	E302-T329 PolarHBondContact O-OG1 3.32Å; F326-T329 PolarHBondContact O-OG1 2.89Å; C327-T329 PolarHBondContact O-N 2.99Å; T329-S331 PolarHBondContact O-N 2.63Å
330	C	84.3	Confident	82.4	Confident	14 Å²	14	34.8 Å²	34.8	10%	0.095	18%	0.182	C	C	.	.			trans	-77.7	88.1	-163	-171.9	0	0	0	0	114.3	H44 C327 R332 K377	H44-C330 PolarHBondContact CE1-O 3.06Å; H44-C330 VanDerWaalsContact CE1-O 3.3Å; C327-C330 VanDerWaalsContact O-CB 3.24Å; C327-C330 WeakPolarHBondContact O-CB 3.41Å; C327-C330 PolarHBondContact O-N 2.97Å; C327-C330 VanDerWaalsContact O-N 3.1Å; C330-R332 PolarHBondContact O-N 3.41Å; C330-R332 VanDerWaalsContact O-N 3.11Å; C330-K377 WeakPolarHBondContact O-CE 3.26Å
331	S	87.8	Confident	82.8	Confident	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.181	C	C	.	.			trans	-65.8	-6.9	175.4	72	0	0	0	0	115.2	F43 H44 Y46 E302 T329	F43-S331 VanDerWaalsContact O-CB 3.25Å; F43-S331 WeakPolarHBondContact O-CB 3.23Å; H44-S331 VanDerWaalsContact CA-O 3.24Å; H44-S331 WeakPolarHBondContact CA-O 3.45Å; H44-S331 WeakPolarHBondContact CB-O 3.43Å; H44-S331 WeakPolarHBondContact ND1-CA 3.46Å; H44-S331 PolarHBondContact ND1-O 3.28Å; Y46-S331 WeakPolarHBondContact CB-OG 3.24Å; E302-S331 WeakPolarHBondContact OE2-CB 3.3Å; E302-S331 PolarHBondContact OE2-N 2.8Å; E302-S331 PolarHBondContact OE2-OG 2.97Å; T329-S331 PolarHBondContact O-N 2.63Å
332	R	88.9	Confident	83.5	Confident	56 Å²	56	35 Å²	35	21%	0.211	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.6	-166.9	-56.2	-171.9	-63.1	179.4	8.2	114.6	Y46 T303 C330 K377	Y46-R332 HydrophobicContact CD1-CG 3.62Å; Y46-R332 HydrophobicContact CE1-CG 3.78Å; Y46-R332 HydrophobicContact CG-CG 4.32Å; Y46-R332 CarbonylContact O-C 3.44Å; Y46-R332 WeakPolarHBondContact O-CA 3.28Å; T303-R332 HydrophobicContact CG2-CG 4.44Å; C330-R332 PolarHBondContact O-N 3.41Å; C330-R332 VanDerWaalsContact O-N 3.11Å; R332-K377 PolarHBondContact O-NZ 2.9Å
333	L	91.4	Very high	84.2	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	161.6	163	-58	178.2	0	0	0	110.4	L36 H44 Y46 L47 R48 F116 L341 V343 V374	L36-L333 HydrophobicContact CD1-CD1 3.92Å; H44-L333 HydrophobicContact CB-CD1 3.78Å; H44-L333 HydrophobicContact CB-CD2 4.37Å; H44-L333 HydrophobicContact CB-CG 3.9Å; Y46-L333 PolarHBondContact O-N 3.25Å; L47-L333 HydrophobicContact CD1-CB 4.09Å; R48-L333 PolarHBondContact N-O 2.94Å; F116-L333 HydrophobicContact CD1-CD1 4.39Å; F116-L333 HydrophobicContact CE1-CD1 3.97Å; L333-L341 HydrophobicContact CB-CD1 4.31Å; L333-V343 HydrophobicContact CD2-CB 4.09Å; L333-V343 HydrophobicContact CD2-CG1 4.09Å; L333-V374 HydrophobicContact CD1-CG2 3.67Å; L333-V374 HydrophobicContact CD2-CG2 3.92Å; L333-V374 HydrophobicContact CG-CG2 4.48Å
334	R	91.1	Very high	84.5	Confident	21 Å²	21	33.4 Å²	33.4	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.3	-179.9	-170.1	175.4	-167	173.7	1.6	113.2	R48 S85 L341 K342	R48-R334 HydrophobicContact CB-CG 4.46Å; R48-R334 CarbonylContact O-C 3.6Å; R48-R334 WeakPolarHBondContact O-CA 3.46Å; S85-R334 VanDerWaalsContact CA-NH2 3.31Å; S85-R334 PolarHBondContact O-NH1 3.33Å; S85-R334 PolarHBondContact O-NH2 3.29Å; R334-L341 CarbonylContact O-C 3.4Å; R334-L341 WeakPolarHBondContact O-CA 3.41Å; R334-K342 HydrophobicContact CB-CB 4.25Å; R334-K342 WeakPolarHBondContact CB-O 3.08Å; R334-K342 PolarHBondContact N-O 2.76Å; R334-K342 PolarHBondContact O-N 3.25Å
335	L	91.4	Very high	84.2	Confident	4 Å²	4	32 Å²	32	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.5	159.6	-70.5	171.8	0	0	0	110.4	L47 R48 I49 S50 L112 F116 C340 L341 L353	L47-L335 HydrophobicContact CD1-CD1 4.47Å; L47-L335 HydrophobicContact CD1-CG 4.21Å; L47-L335 HydrophobicContact CD2-CD1 4.12Å; R48-L335 PolarHBondContact O-N 3.24Å; I49-L335 HydrophobicContact CG1-CD1 4.43Å; I49-L335 HydrophobicContact CG2-CB 4.31Å; S50-L335 PolarHBondContact N-O 2.88Å; L112-L335 HydrophobicContact CB-CD1 4.25Å; F116-L335 HydrophobicContact CD2-CD1 4.26Å; F116-L335 HydrophobicContact CE2-CD1 3.91Å; F116-L335 HydrophobicContact CE2-CD2 4.05Å; F116-L335 HydrophobicContact CE2-CG 4.15Å; F116-L335 HydrophobicContact CZ-CD2 4.45Å; L335-C340 WeakPolarHBondContact CA-O 3.42Å; L335-L341 HydrophobicContact CD2-CB 4.32Å; L335-L353 HydrophobicContact CD2-CD1 4.08Å
336	T	87.4	Confident	84	Confident	17 Å²	17	33.1 Å²	33.1	10%	0.104	17%	0.173	C	C	.	.			trans	-83.3	175.6	167.3	60.9	0	0	0	0	111.1	S50 D338 G339 C340	S50-T336 CarbonylContact O-C 3.47Å; T336-D338 VanDerWaalsContact C-N 3.32Å; T336-D338 WeakPolarHBondContact CB-OD1 3.43Å; T336-D338 PolarHBondContact O-N 3.16Å; T336-D338 PolarHBondContact OG1-OD1 3.08Å; T336-G339 PolarHBondContact O-N 3.26Å; T336-C340 PolarHBondContact N-O 3.47Å; T336-C340 WeakPolarHBondContact OG1-CA 3.14Å; T336-C340 WeakPolarHBondContact OG1-CB 3.29Å; T336-C340 PolarHBondContact OG1-N 3.48Å; T336-C340 PolarHBondContact OG1-O 3.3Å
337	A	85.1	Confident	83.3	Confident	9 Å²	9	32 Å²	32	7%	0.074	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.1	-176	0	0	0	0	0	113.5	S50 M103 A104 G339	S50-A337 VanDerWaalsContact O-CA 3.27Å; S50-A337 WeakPolarHBondContact O-CA 3.28Å; M103-A337 WeakPolarHBondContact CA-O 3.24Å; M103-A337 HydrophobicContact CG-CB 4.45Å; A104-A337 PolarHBondContact N-O 2.92Å; A337-G339 VanDerWaalsContact C-N 3.28Å
338	D	84.2	Confident	82.6	Confident	54 Å²	54	39 Å²	39	29%	0.289	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.8	167.9	62.7	-51.6	0	0	0	113.1	K102 T336 C340 L354	K102-D338 WeakPolarHBondContact O-CA 3.48Å; T336-D338 VanDerWaalsContact C-N 3.32Å; T336-D338 WeakPolarHBondContact CB-OD1 3.43Å; T336-D338 PolarHBondContact O-N 3.16Å; T336-D338 PolarHBondContact OG1-OD1 3.08Å; D338-C340 PolarHBondContact O-N 3.4Å; D338-C340 PolarHBondContact OD2-SG 2.86Å; D338-L354 WeakPolarHBondContact O-CB 3.48Å; D338-L354 VanDerWaalsContact O-CD2 3.3Å; D338-L354 WeakPolarHBondContact O-CD2 3.32Å
339	G	88.2	Confident	82.2	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.021	21%	0.206	C	C	.	.			trans	68.8	28.6	172.6	0	0	0	0	0	115.6	T336 A337 L353 L354	T336-G339 PolarHBondContact O-N 3.26Å; A337-G339 VanDerWaalsContact C-N 3.28Å; G339-L353 PolarHBondContact O-N 3.36Å; G339-L354 PolarHBondContact O-N 2.99Å
340	C	89.7	Confident	82.2	Confident	11 Å²	11	35.7 Å²	35.7	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.8	168.6	-65.1	0	0	0	0	111.4	L335 T336 D338 E350 V351 S352	L335-C340 WeakPolarHBondContact CA-O 3.42Å; T336-C340 PolarHBondContact N-O 3.47Å; T336-C340 WeakPolarHBondContact OG1-CA 3.14Å; T336-C340 WeakPolarHBondContact OG1-CB 3.29Å; T336-C340 PolarHBondContact OG1-N 3.48Å; T336-C340 PolarHBondContact OG1-O 3.3Å; D338-C340 PolarHBondContact O-N 3.4Å; D338-C340 PolarHBondContact OD2-SG 2.86Å; C340-E350 HydrophobicContact CB-CB 4.16Å; C340-E350 WeakPolarHBondContact CB-OE2 3.4Å; C340-V351 CarbonylContact C-O 3.55Å; C340-V351 WeakPolarHBondContact CA-O 3.44Å; C340-S352 VanDerWaalsContact SG-CA 3.54Å; C340-S352 WeakPolarHBondContact SG-CB 3.42Å; C340-S352 PolarHBondContact SG-OG 3Å; C340-S352 VanDerWaalsContact SG-OG 3.36Å
341	L	91.4	Very high	82.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.2	179.2	172.8	59	0	0	0	111	F116 L333 R334 L335 V343 E350 V351 L353 I370 A373	F116-L341 HydrophobicContact CE1-CD1 4.32Å; F116-L341 HydrophobicContact CZ-CD1 3.94Å; F116-L341 HydrophobicContact CZ-CD2 4.19Å; L333-L341 HydrophobicContact CB-CD1 4.31Å; R334-L341 CarbonylContact O-C 3.4Å; R334-L341 WeakPolarHBondContact O-CA 3.41Å; L335-L341 HydrophobicContact CD2-CB 4.32Å; L341-V343 HydrophobicContact CD1-CG1 4.32Å; L341-V343 HydrophobicContact CD2-CG1 4.36Å; L341-V343 HydrophobicContact CG-CG1 4.11Å; L341-E350 WeakPolarHBondContact O-CA 3.46Å; L341-V351 PolarHBondContact N-O 3Å; L341-V351 PolarHBondContact O-N 3.18Å; L341-V351 VanDerWaalsContact O-N 3.14Å; L341-L353 HydrophobicContact CB-CD1 3.95Å; L341-L353 HydrophobicContact CB-CG 4.08Å; L341-L353 HydrophobicContact CD2-CD1 4.27Å; L341-I370 HydrophobicContact CD2-CB 4.41Å; L341-I370 HydrophobicContact CD2-CG1 4.28Å; L341-I370 HydrophobicContact CD2-CG2 4.31Å; L341-A373 HydrophobicContact CD2-CB 3.73Å; L341-A373 HydrophobicContact CG-CB 4.49Å
342	K	87.4	Confident	82.4	Confident	15 Å²	15	38.7 Å²	38.7	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115	166.5	-94.4	-179.8	143.3	146.4	0	110.6	R334 G347 E350	R334-K342 HydrophobicContact CB-CB 4.25Å; R334-K342 WeakPolarHBondContact CB-O 3.08Å; R334-K342 PolarHBondContact N-O 2.76Å; R334-K342 PolarHBondContact O-N 3.25Å; K342-G347 WeakPolarHBondContact CE-O 3.5Å; K342-E350 HydrophobicContact CD-CG 4.11Å; K342-E350 VanDerWaalsContact CD-OE1 3.24Å; K342-E350 WeakPolarHBondContact CD-OE1 3.35Å; K342-E350 WeakPolarHBondContact CE-OE1 3.46Å; K342-E350 HydrophobicContact CG-CB 4.44Å; K342-E350 HydrophobicContact CG-CG 3.71Å; K342-E350 IonicContact NZ-OE1 2.7Å; K342-E350 PolarHBondContact NZ-OE1 2.59Å
343	V	86.6	Confident	82.7	Confident	19 Å²	19	36 Å²	36	12%	0.115	21%	0.206	C	C	.	.	S	Bend	trans	-83	-12.8	178.3	-55.4	0	0	0	0	113.7	L333 L341 A373 V374 K377	L333-V343 HydrophobicContact CD2-CB 4.09Å; L333-V343 HydrophobicContact CD2-CG1 4.09Å; L341-V343 HydrophobicContact CD1-CG1 4.32Å; L341-V343 HydrophobicContact CD2-CG1 4.36Å; L341-V343 HydrophobicContact CG-CG1 4.11Å; V343-A373 HydrophobicContact CG1-CB 4.13Å; V343-A373 WeakPolarHBondContact CG1-O 3.11Å; V343-V374 HydrophobicContact CG1-CG2 4.42Å; V343-K377 HydrophobicContact CB-CB 4.27Å; V343-K377 HydrophobicContact CB-CG 4.39Å; V343-K377 HydrophobicContact CG2-CB 4.05Å; V343-K377 HydrophobicContact CG2-CG 4.35Å; V343-K377 PolarHBondContact O-NZ 3.36Å
344	C	80.4	Confident	82.7	Confident	44 Å²	44	35.9 Å²	35.9	30%	0.297	21%	0.206	S	C	.	.	S	Bend	trans	-143.2	149.3	172.7	-168.4	0	0	0	0	110	G347	C344-G347 PolarHBondContact O-N 3Å
345	L	70.4	Confident	82.7	Confident	65 Å²	65	39 Å²	39	34%	0.34	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-38	177.3	-174.9	62.7	0	0	0	112	G347	L345-G347 VanDerWaalsContact C-N 3.33Å
346	H	64.5	Low	82.7	Confident	85 Å²	85	39.8 Å²	39.8	39%	0.394	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	26.4	179.4	-44.9	128.8	0	0	0	112.2	H381	H346-H381 HydrophobicContact CB-CB 4.03Å; H346-H381 AromaticContact CE1-CD2 3.73Å; H346-H381 AromaticContact CE1-CE1 3.93Å; H346-H381 AromaticContact CE1-NE2 3.6Å; H346-H381 AromaticContact ND1-CD2 3.09Å; H346-H381 PolarHBondContact ND1-CD2 3.49Å; H346-H381 AromaticContact ND1-CE1 3.81Å; H346-H381 AromaticContact ND1-CG 3.21Å; H346-H381 AromaticContact ND1-ND1 3.67Å; H346-H381 AromaticContact ND1-NE2 3.45Å; H346-H381 PolarHBondContact ND1-NE2 3.29Å
347	G	60.9	Low	82.9	Confident	20 Å²	20	40.5 Å²	40.5	21%	0.206	23%	0.234	C	C	.	.			trans	-102.4	125.2	175.7	0	0	0	0	0	110.9	K342 C344 L345 S349	K342-G347 WeakPolarHBondContact CE-O 3.5Å; C344-G347 PolarHBondContact O-N 3Å; L345-G347 VanDerWaalsContact C-N 3.33Å; G347-S349 PolarHBondContact O-N 3.01Å
348	N	64.6	Low	83.3	Confident	160 Å²	160	45.1 Å²	45.1	86%	0.856	25%	0.249	S	C	*	.			trans	-75.6	-15	173.4	-63.4	13.8	0	0	0	112.4
349	S	70.3	Confident	83.7	Confident	72 Å²	72	47.7 Å²	47.7	50%	0.503	27%	0.271	S	S	.	.			trans	-78	121.1	177.6	-51	0	0	0	0	110.8	G347	G347-S349 PolarHBondContact O-N 3.01Å
350	E	80.2	Confident	83.9	Confident	71 Å²	71	50.8 Å²	50.8	33%	0.332	30%	0.303	S	S	.	.			trans	-123.5	154.5	171	-43.5	-158.6	175.2	0	0	110	C340 L341 K342	C340-E350 HydrophobicContact CB-CB 4.16Å; C340-E350 WeakPolarHBondContact CB-OE2 3.4Å; L341-E350 WeakPolarHBondContact O-CA 3.46Å; K342-E350 HydrophobicContact CD-CG 4.11Å; K342-E350 VanDerWaalsContact CD-OE1 3.24Å; K342-E350 WeakPolarHBondContact CD-OE1 3.35Å; K342-E350 WeakPolarHBondContact CE-OE1 3.46Å; K342-E350 HydrophobicContact CG-CB 4.44Å; K342-E350 HydrophobicContact CG-CG 3.71Å; K342-E350 IonicContact NZ-OE1 2.7Å; K342-E350 PolarHBondContact NZ-OE1 2.59Å
351	V	86.9	Confident	84	Confident	44 Å²	44	51.9 Å²	51.9	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117	174.2	-178.7	0	0	0	0	109.1	C340 L341 L353 L369 A373	C340-V351 CarbonylContact C-O 3.55Å; C340-V351 WeakPolarHBondContact CA-O 3.44Å; L341-V351 PolarHBondContact N-O 3Å; L341-V351 PolarHBondContact O-N 3.18Å; L341-V351 VanDerWaalsContact O-N 3.14Å; V351-L353 HydrophobicContact CG1-CD2 4.03Å; V351-L353 PolarHBondContact O-N 2.9Å; V351-L353 VanDerWaalsContact O-N 3.1Å; V351-L369 HydrophobicContact CG1-CB 4.36Å; V351-L369 HydrophobicContact CG1-CD2 4.42Å; V351-A373 HydrophobicContact CB-CB 4.49Å; V351-A373 HydrophobicContact CG2-CB 3.91Å
352	S	90.4	Very high	84.1	Confident	38 Å²	38	54.7 Å²	54.7	27%	0.266	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	96.6	-176.1	-165.7	0	0	0	0	111.6	C340 N355	C340-S352 VanDerWaalsContact SG-CA 3.54Å; C340-S352 WeakPolarHBondContact SG-CB 3.42Å; C340-S352 PolarHBondContact SG-OG 3Å; C340-S352 VanDerWaalsContact SG-OG 3.36Å; S352-N355 PolarHBondContact OG-ND2 3.43Å
353	L	93.4	Very high	84.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-78.6	-34.9	179.6	-54.2	-177.3	0	0	0	111.5	L112 F116 L335 G339 L341 V351 A356 L357 V366 L369 I370	L112-L353 HydrophobicContact CD2-CB 3.67Å; L112-L353 HydrophobicContact CD2-CD1 4.3Å; F116-L353 HydrophobicContact CE2-CD1 3.88Å; F116-L353 HydrophobicContact CZ-CD1 3.88Å; L335-L353 HydrophobicContact CD2-CD1 4.08Å; G339-L353 PolarHBondContact O-N 3.36Å; L341-L353 HydrophobicContact CB-CD1 3.95Å; L341-L353 HydrophobicContact CB-CG 4.08Å; L341-L353 HydrophobicContact CD2-CD1 4.27Å; V351-L353 HydrophobicContact CG1-CD2 4.03Å; V351-L353 PolarHBondContact O-N 2.9Å; V351-L353 VanDerWaalsContact O-N 3.1Å; L353-A356 WeakPolarHBondContact O-CB 3.29Å; L353-A356 PolarHBondContact O-N 3.4Å; L353-L357 PolarHBondContact O-N 2.96Å; L353-V366 HydrophobicContact CB-CG1 4.26Å; L353-V366 HydrophobicContact CD2-CG1 4.27Å; L353-L369 HydrophobicContact CD2-CB 4.02Å; L353-I370 HydrophobicContact CD1-CD1 4Å; L353-I370 HydrophobicContact CD1-CG1 3.55Å; L353-I370 HydrophobicContact CD2-CG1 4.07Å; L353-I370 HydrophobicContact CG-CG1 4.49Å
354	L	91.8	Very high	84.7	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-45.3	179.1	-175.6	67.6	0	0	0	111.9	A104 E108 L112 D338 G339 A356 L357 R358	A104-L354 HydrophobicContact CB-CD1 4.2Å; A104-L354 HydrophobicContact CB-CD2 4.05Å; E108-L354 HydrophobicContact CB-CD1 3.8Å; E108-L354 HydrophobicContact CG-CD1 3.95Å; E108-L354 WeakPolarHBondContact OE1-CD1 3.36Å; L112-L354 HydrophobicContact CD1-CB 4.44Å; L112-L354 HydrophobicContact CD1-CD1 4.26Å; D338-L354 WeakPolarHBondContact O-CB 3.48Å; D338-L354 VanDerWaalsContact O-CD2 3.3Å; D338-L354 WeakPolarHBondContact O-CD2 3.32Å; G339-L354 PolarHBondContact O-N 2.99Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.2Å; L354-L357 PolarHBondContact O-N 2.98Å; L354-R358 WeakPolarHBondContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CG 3.09Å; L354-R358 PolarHBondContact O-N 3.13Å
355	N	91.5	Very high	85.3	Confident	87 Å²	87	61.5 Å²	61.5	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-33.9	176.6	-71	-42	0	0	0	112	S352 R358 S359	S352-N355 PolarHBondContact OG-ND2 3.43Å; N355-R358 PolarHBondContact O-N 2.91Å; N355-S359 WeakPolarHBondContact O-CB 3.42Å; N355-S359 PolarHBondContact O-N 3.43Å; N355-S359 PolarHBondContact O-OG 3.5Å; N355-S359 VanDerWaalsContact O-OG 3.13Å
356	A	91.8	Very high	86.4	Confident	19 Å²	19	58.4 Å²	58.4	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-46.4	173.2	0	0	0	0	0	112	L353 L354 S359 G360 A361 V366 L369	L353-A356 WeakPolarHBondContact O-CB 3.29Å; L353-A356 PolarHBondContact O-N 3.4Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.2Å; A356-S359 PolarHBondContact O-N 2.93Å; A356-G360 PolarHBondContact O-N 3.12Å; A356-A361 HydrophobicContact CB-CB 4.2Å; A356-A361 WeakPolarHBondContact O-CB 3.25Å; A356-A361 PolarHBondContact O-N 2.93Å; A356-V366 HydrophobicContact CB-CG2 4.22Å; A356-L369 HydrophobicContact CB-CD1 4Å
357	L	91.7	Very high	87.7	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-46	173.4	-72.7	173.9	0	0	0	112.1	L112 L353 L354 S359 G360 V366	L112-L357 HydrophobicContact CD2-CD1 3.56Å; L112-L357 HydrophobicContact CG-CD1 3.82Å; L353-L357 PolarHBondContact O-N 2.96Å; L354-L357 PolarHBondContact O-N 2.98Å; L357-S359 VanDerWaalsContact C-N 3.25Å; L357-S359 PolarHBondContact O-N 3.14Å; L357-G360 PolarHBondContact O-N 3.21Å; L357-V366 HydrophobicContact CD2-CG2 3.83Å; L357-V366 HydrophobicContact CG-CG2 4.08Å
358	R	92.9	Very high	89.2	Confident	106 Å²	106	57.1 Å²	57.1	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-26.5	179	-71.8	177.4	176.3	-172.6	-1.7	113.4	D101 M103 E108 L354 N355 G360	D101-R358 PolarHBondContact O-NH1 2.83Å; M103-R358 PolarHBondContact O-NH2 2.8Å; E108-R358 IonicContact OE1-CZ 3.69Å; E108-R358 VanDerWaalsContact OE1-CZ 3.26Å; E108-R358 IonicContact OE1-NE 2.59Å; E108-R358 PolarHBondContact OE1-NE 2.82Å; E108-R358 IonicContact OE1-NH2 2.77Å; E108-R358 PolarHBondContact OE1-NH2 3.47Å; E108-R358 IonicContact OE2-CZ 2.74Å; E108-R358 IonicContact OE2-NH2 3.76Å; E108-R358 PolarHBondContact OE2-NH2 3.49Å; L354-R358 WeakPolarHBondContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CG 3.09Å; L354-R358 PolarHBondContact O-N 3.13Å; N355-R358 PolarHBondContact O-N 2.91Å; R358-G360 VanDerWaalsContact C-N 3.29Å
359	S	92.6	Very high	90.5	Very high	108 Å²	108	51.9 Å²	51.9	76%	0.755	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	7.9	170.7	-62	0	0	0	0	114.1	N355 A356 L357	N355-S359 WeakPolarHBondContact O-CB 3.42Å; N355-S359 PolarHBondContact O-N 3.43Å; N355-S359 PolarHBondContact O-OG 3.5Å; N355-S359 VanDerWaalsContact O-OG 3.13Å; A356-S359 PolarHBondContact O-N 2.93Å; L357-S359 VanDerWaalsContact C-N 3.25Å; L357-S359 PolarHBondContact O-N 3.14Å
360	G	92	Very high	91.7	Very high	67 Å²	67	48.5 Å²	48.5	69%	0.691	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	19.8	174.6	0	0	0	0	0	115.5	A356 L357 R358	A356-G360 PolarHBondContact O-N 3.12Å; L357-G360 PolarHBondContact O-N 3.21Å; R358-G360 VanDerWaalsContact C-N 3.29Å
361	A	92.5	Very high	92.2	Very high	35 Å²	35	45.3 Å²	45.3	29%	0.289	27%	0.273	S	S	.	.			trans	-66	138.6	171.9	0	0	0	0	0	111.1	A356 A365 V366	A356-A361 HydrophobicContact CB-CB 4.2Å; A356-A361 WeakPolarHBondContact O-CB 3.25Å; A356-A361 PolarHBondContact O-N 2.93Å; A361-A365 HydrophobicContact CB-CB 4.28Å; A361-V366 HydrophobicContact CB-CG2 4.16Å
362	S	94.2	Very high	92.4	Very high	61 Å²	61	44 Å²	44	43%	0.427	26%	0.264	S	S	.	.			trans	-68.6	163.6	178.3	83.6	0	0	0	0	112.3	E364 A365 V366	S362-E364 WeakPolarHBondContact CB-OE2 3.35Å; S362-E364 PolarHBondContact O-N 3.39Å; S362-E364 PolarHBondContact OG-N 3.24Å; S362-E364 PolarHBondContact OG-OE2 2.82Å; S362-A365 PolarHBondContact O-N 3.39Å; S362-A365 VanDerWaalsContact O-N 3.16Å; S362-A365 PolarHBondContact OG-N 3.01Å; S362-V366 PolarHBondContact O-N 3Å; S362-V366 VanDerWaalsContact O-N 3.08Å
363	E	93.1	Very high	92.4	Very high	53 Å²	53	42.5 Å²	42.5	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-37.9	178.1	-66.5	-158.6	166.3	0	0	111.8	H111 L115 K118 A365 V366 I367	H111-E363 IonicContact CD2-OE1 3.83Å; H111-E363 IonicContact CE1-OE1 3.3Å; H111-E363 IonicContact NE2-OE1 3.9Å; H111-E363 PolarHBondContact NE2-OE1 3.38Å; L115-E363 HydrophobicContact CD2-CB 3.86Å; L115-E363 VanDerWaalsContact CD2-CD 3.46Å; L115-E363 HydrophobicContact CD2-CG 3.79Å; L115-E363 WeakPolarHBondContact CD2-OE2 3.35Å; K118-E363 IonicContact NZ-OE1 3.41Å; K118-E363 IonicContact NZ-OE2 3.24Å; K118-E363 PolarHBondContact NZ-OE2 2.75Å; E363-A365 PolarHBondContact O-N 3.12Å; E363-V366 PolarHBondContact O-N 3.22Å; E363-I367 VanDerWaalsContact O-CB 3.29Å; E363-I367 WeakPolarHBondContact O-CB 3.41Å; E363-I367 WeakPolarHBondContact O-CD1 3.33Å; E363-I367 WeakPolarHBondContact O-CG1 3.37Å; E363-I367 PolarHBondContact O-N 3.01Å
364	E	92.1	Very high	92.3	Very high	126 Å²	126	42.5 Å²	42.5	59%	0.589	25%	0.254	S	S	*	.	H	α-helix	trans	-64	-40.2	178.6	-54.3	69.7	-148.2	0	0	111.2	S362 I367 Q368	S362-E364 WeakPolarHBondContact CB-OE2 3.35Å; S362-E364 PolarHBondContact O-N 3.39Å; S362-E364 PolarHBondContact OG-N 3.24Å; S362-E364 PolarHBondContact OG-OE2 2.82Å; E364-I367 PolarHBondContact O-N 2.77Å; E364-Q368 WeakPolarHBondContact O-CB 3.06Å; E364-Q368 PolarHBondContact O-N 3.45Å
365	A	92.6	Very high	92.2	Very high	41 Å²	41	45.8 Å²	45.8	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-40.2	175.8	0	0	0	0	0	111.7	A361 S362 E363 Q368 L369	A361-A365 HydrophobicContact CB-CB 4.28Å; S362-A365 PolarHBondContact O-N 3.39Å; S362-A365 VanDerWaalsContact O-N 3.16Å; S362-A365 PolarHBondContact OG-N 3.01Å; E363-A365 PolarHBondContact O-N 3.12Å; A365-Q368 PolarHBondContact O-N 3.09Å; A365-L369 WeakPolarHBondContact O-CG 3.43Å; A365-L369 PolarHBondContact O-N 3.42Å
366	V	93.5	Very high	91.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.2	-37.4	175.9	179.9	0	0	0	0	111.4	L115 L353 A356 L357 A361 S362 E363 Q368 L369 I370	L115-V366 HydrophobicContact CD1-CB 4.02Å; L115-V366 HydrophobicContact CD1-CG1 3.56Å; L353-V366 HydrophobicContact CB-CG1 4.26Å; L353-V366 HydrophobicContact CD2-CG1 4.27Å; A356-V366 HydrophobicContact CB-CG2 4.22Å; L357-V366 HydrophobicContact CD2-CG2 3.83Å; L357-V366 HydrophobicContact CG-CG2 4.08Å; A361-V366 HydrophobicContact CB-CG2 4.16Å; S362-V366 PolarHBondContact O-N 3Å; S362-V366 VanDerWaalsContact O-N 3.08Å; E363-V366 PolarHBondContact O-N 3.22Å; V366-Q368 VanDerWaalsContact C-N 3.34Å; V366-Q368 PolarHBondContact O-N 2.81Å; V366-L369 PolarHBondContact O-N 3.04Å; V366-I370 HydrophobicContact CG1-CD1 4.27Å; V366-I370 VanDerWaalsContact O-CG1 3.3Å; V366-I370 WeakPolarHBondContact O-CG1 3.42Å; V366-I370 PolarHBondContact O-N 2.93Å
367	I	93	Very high	91.6	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.082	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-42.7	171	-75.6	165.2	0	0	0	110.7	W34 L115 L119 E363 E364 I370 N371	W34-I367 HydrophobicContact CD2-CG2 4.02Å; W34-I367 HydrophobicContact CE3-CG2 4.46Å; W34-I367 HydrophobicContact CG-CG2 4.07Å; L115-I367 HydrophobicContact CD2-CD1 4.45Å; L119-I367 HydrophobicContact CD1-CB 4.46Å; L119-I367 HydrophobicContact CD1-CG1 4.14Å; L119-I367 HydrophobicContact CD1-CG2 4.16Å; L119-I367 HydrophobicContact CD2-CD1 4.49Å; L119-I367 HydrophobicContact CD2-CG1 4.21Å; L119-I367 HydrophobicContact CD2-CG2 3.63Å; L119-I367 HydrophobicContact CG-CG1 4.47Å; L119-I367 HydrophobicContact CG-CG2 4.5Å; E363-I367 VanDerWaalsContact O-CB 3.29Å; E363-I367 WeakPolarHBondContact O-CB 3.41Å; E363-I367 WeakPolarHBondContact O-CD1 3.33Å; E363-I367 WeakPolarHBondContact O-CG1 3.37Å; E363-I367 PolarHBondContact O-N 3.01Å; E364-I367 PolarHBondContact O-N 2.77Å; I367-I370 PolarHBondContact O-N 3.18Å; I367-N371 PolarHBondContact O-N 2.74Å; I367-N371 PolarHBondContact O-ND2 3.09Å
368	Q	92.1	Very high	91.3	Very high	62 Å²	62	47.7 Å²	47.7	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-44.1	174.4	-175.2	71.4	72.7	0	0	111.5	W34 E364 A365 V366 I370 N371 D372	W34-Q368 VanDerWaalsContact CH2-OE1 3.31Å; E364-Q368 WeakPolarHBondContact O-CB 3.06Å; E364-Q368 PolarHBondContact O-N 3.45Å; A365-Q368 PolarHBondContact O-N 3.09Å; V366-Q368 VanDerWaalsContact C-N 3.34Å; V366-Q368 PolarHBondContact O-N 2.81Å; Q368-I370 VanDerWaalsContact C-N 3.34Å; Q368-I370 PolarHBondContact O-N 3.34Å; Q368-N371 PolarHBondContact O-N 3.44Å; Q368-D372 PolarHBondContact NE2-OD1 2.92Å; Q368-D372 WeakPolarHBondContact O-CB 3.45Å; Q368-D372 VanDerWaalsContact O-CG 3.28Å; Q368-D372 PolarHBondContact O-N 3.24Å
369	L	92.5	Very high	90.7	Very high	51 Å²	51	47.1 Å²	47.1	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.9	-72.7	172.2	0	0	0	112.2	V351 L353 A356 A365 V366 A373	V351-L369 HydrophobicContact CG1-CB 4.36Å; V351-L369 HydrophobicContact CG1-CD2 4.42Å; L353-L369 HydrophobicContact CD2-CB 4.02Å; A356-L369 HydrophobicContact CB-CD1 4Å; A365-L369 WeakPolarHBondContact O-CG 3.43Å; A365-L369 PolarHBondContact O-N 3.42Å; V366-L369 PolarHBondContact O-N 3.04Å; L369-A373 VanDerWaalsContact O-CB 3.25Å; L369-A373 WeakPolarHBondContact O-CB 3.43Å; L369-A373 PolarHBondContact O-N 3Å
370	I	94	Very high	89.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-49.5	174.2	-68	163.4	0	0	0	110.4	L36 L115 F116 L119 L341 L353 V366 I367 Q368 A373 V374	L36-I370 HydrophobicContact CD2-CG2 3.64Å; L115-I370 HydrophobicContact CB-CD1 4.28Å; F116-I370 HydrophobicContact CD1-CG2 4.22Å; F116-I370 HydrophobicContact CD2-CD1 4.43Å; F116-I370 HydrophobicContact CE1-CD1 4.17Å; F116-I370 HydrophobicContact CE1-CG1 4.19Å; F116-I370 HydrophobicContact CE1-CG2 3.52Å; F116-I370 HydrophobicContact CE2-CD1 3.97Å; F116-I370 HydrophobicContact CE2-CG1 4.38Å; F116-I370 HydrophobicContact CZ-CD1 3.83Å; F116-I370 HydrophobicContact CZ-CG1 3.81Å; F116-I370 HydrophobicContact CZ-CG2 4Å; L119-I370 HydrophobicContact CD1-CB 4.31Å; L119-I370 HydrophobicContact CD1-CD1 4.2Å; L119-I370 HydrophobicContact CD1-CG2 3.95Å; L341-I370 HydrophobicContact CD2-CB 4.41Å; L341-I370 HydrophobicContact CD2-CG1 4.28Å; L341-I370 HydrophobicContact CD2-CG2 4.31Å; L353-I370 HydrophobicContact CD1-CD1 4Å; L353-I370 HydrophobicContact CD1-CG1 3.55Å; L353-I370 HydrophobicContact CD2-CG1 4.07Å; L353-I370 HydrophobicContact CG-CG1 4.49Å; V366-I370 HydrophobicContact CG1-CD1 4.27Å; V366-I370 VanDerWaalsContact O-CG1 3.3Å; V366-I370 WeakPolarHBondContact O-CG1 3.42Å; V366-I370 PolarHBondContact O-N 2.93Å; I367-I370 PolarHBondContact O-N 3.18Å; Q368-I370 VanDerWaalsContact C-N 3.34Å; Q368-I370 PolarHBondContact O-N 3.34Å; I370-A373 PolarHBondContact O-N 3.28Å; I370-V374 HydrophobicContact CG2-CG2 4.41Å; I370-V374 WeakPolarHBondContact O-CB 3.49Å; I370-V374 VanDerWaalsContact O-CG2 3.28Å; I370-V374 WeakPolarHBondContact O-CG2 3.44Å; I370-V374 PolarHBondContact O-N 2.95Å
371	N	92.1	Very high	88.7	Confident	4 Å²	4	45 Å²	45	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-40.9	-177.8	-82.3	-80.1	0	0	0	112.8	W34 I367 Q368 V374 K375	W34-N371 HydrophobicContact CE3-CB 4.27Å; W34-N371 HydrophobicContact CZ3-CB 4.34Å; I367-N371 PolarHBondContact O-N 2.74Å; I367-N371 PolarHBondContact O-ND2 3.09Å; Q368-N371 PolarHBondContact O-N 3.44Å; N371-V374 PolarHBondContact O-N 3.37Å; N371-K375 WeakPolarHBondContact O-CD 3.49Å; N371-K375 VanDerWaalsContact O-CG 3.3Å; N371-K375 WeakPolarHBondContact O-CG 3.31Å; N371-K375 PolarHBondContact O-N 2.83Å; N371-K375 VanDerWaalsContact O-N 3.07Å
372	D	90.6	Very high	86.6	Confident	17 Å²	17	46.1 Å²	46.1	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-39.4	176.5	-69.7	-2.7	0	0	0	111.3	Q368 Y396 K400	Q368-D372 PolarHBondContact NE2-OD1 2.92Å; Q368-D372 WeakPolarHBondContact O-CB 3.45Å; Q368-D372 VanDerWaalsContact O-CG 3.28Å; Q368-D372 PolarHBondContact O-N 3.24Å; D372-Y396 HydrophobicContact CB-CE1 4.45Å; D372-K400 IonicContact OD2-NZ 2.74Å; D372-K400 PolarHBondContact OD2-NZ 3.39Å
373	A	90.7	Very high	84.4	Confident	6 Å²	6	46.3 Å²	46.3	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-42.6	173.7	0	0	0	0	0	112.2	L341 V343 V351 L369 I370 K375 L376	L341-A373 HydrophobicContact CD2-CB 3.73Å; L341-A373 HydrophobicContact CG-CB 4.49Å; V343-A373 HydrophobicContact CG1-CB 4.13Å; V343-A373 WeakPolarHBondContact CG1-O 3.11Å; V351-A373 HydrophobicContact CB-CB 4.49Å; V351-A373 HydrophobicContact CG2-CB 3.91Å; L369-A373 VanDerWaalsContact O-CB 3.25Å; L369-A373 WeakPolarHBondContact O-CB 3.43Å; L369-A373 PolarHBondContact O-N 3Å; I370-A373 PolarHBondContact O-N 3.28Å; A373-K375 PolarHBondContact O-N 3.13Å; A373-L376 WeakPolarHBondContact O-CB 3.22Å; A373-L376 PolarHBondContact O-N 2.78Å; A373-L376 VanDerWaalsContact O-N 3.17Å
374	V	90.7	Very high	81.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-41	178.9	165.4	0	0	0	0	111.5	L36 D38 H44 L333 V343 I370 N371 L376 K377	L36-V374 HydrophobicContact CD2-CG2 4.41Å; D38-V374 HydrophobicContact CB-CG1 4.02Å; D38-V374 WeakPolarHBondContact CB-O 3.45Å; H44-V374 VanDerWaalsContact CD2-CG1 3.46Å; H44-V374 WeakPolarHBondContact CD2-CG1 3.32Å; L333-V374 HydrophobicContact CD1-CG2 3.67Å; L333-V374 HydrophobicContact CD2-CG2 3.92Å; L333-V374 HydrophobicContact CG-CG2 4.48Å; V343-V374 HydrophobicContact CG1-CG2 4.42Å; I370-V374 HydrophobicContact CG2-CG2 4.41Å; I370-V374 WeakPolarHBondContact O-CB 3.49Å; I370-V374 VanDerWaalsContact O-CG2 3.28Å; I370-V374 WeakPolarHBondContact O-CG2 3.44Å; I370-V374 PolarHBondContact O-N 2.95Å; N371-V374 PolarHBondContact O-N 3.37Å; V374-L376 PolarHBondContact O-N 3.01Å; V374-K377 WeakPolarHBondContact O-CB 3.45Å; V374-K377 PolarHBondContact O-N 2.84Å
375	K	89.3	Confident	79	Confident	71 Å²	71	54.5 Å²	54.5	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-27	175.5	-70.5	161.8	-168.6	167.6	0	113.3	S39 N371 A373 K377	S39-K375 PolarHBondContact OG-O 2.88Å; N371-K375 WeakPolarHBondContact O-CD 3.49Å; N371-K375 VanDerWaalsContact O-CG 3.3Å; N371-K375 WeakPolarHBondContact O-CG 3.31Å; N371-K375 PolarHBondContact O-N 2.83Å; N371-K375 VanDerWaalsContact O-N 3.07Å; A373-K375 PolarHBondContact O-N 3.13Å; K375-K377 VanDerWaalsContact C-N 3.27Å; K375-K377 PolarHBondContact O-N 2.92Å
376	L	86.8	Confident	76	Confident	47 Å²	47	58.1 Å²	58.1	25%	0.246	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.5	176.7	-69.5	169	0	0	0	114.3	A373 V374 K378 V393 Y396 M397	A373-L376 WeakPolarHBondContact O-CB 3.22Å; A373-L376 PolarHBondContact O-N 2.78Å; A373-L376 VanDerWaalsContact O-N 3.17Å; V374-L376 PolarHBondContact O-N 3.01Å; L376-K378 PolarHBondContact O-N 2.92Å; L376-K378 VanDerWaalsContact O-N 3.07Å; L376-V393 HydrophobicContact CD2-CG1 4.18Å; L376-Y396 HydrophobicContact CD1-CD1 4.37Å; L376-Y396 HydrophobicContact CD2-CD1 3.76Å; L376-Y396 HydrophobicContact CD2-CG 4.19Å; L376-Y396 HydrophobicContact CG-CD1 4.1Å; L376-M397 HydrophobicContact CD1-CE 3.99Å
377	K	85.8	Confident	73	Confident	10 Å²	10	64.2 Å²	64.2	4%	0.043	31%	0.309	C	S	.	.			trans	-67.8	103.5	179.4	-169	-161.7	-167.1	91.7	0	111.8	D38 F40 R42 H44 C330 R332 V343 V374 K375	D38-K377 HydrophobicContact CB-CB 4.21Å; D38-K377 HydrophobicContact CB-CD 4.47Å; D38-K377 WeakPolarHBondContact OD2-CD 3.27Å; F40-K377 WeakPolarHBondContact CD2-O 3.25Å; F40-K377 VanDerWaalsContact CE2-O 3.24Å; F40-K377 WeakPolarHBondContact CE2-O 3.38Å; R42-K377 PolarHBondContact NH2-O 2.87Å; H44-K377 WeakPolarHBondContact CE1-CD 3.48Å; H44-K377 WeakPolarHBondContact CE1-CE 3.44Å; H44-K377 PolarHBondContact CE1-NZ 2.88Å; H44-K377 WeakPolarHBondContact NE2-CD 3.39Å; C330-K377 WeakPolarHBondContact O-CE 3.26Å; R332-K377 PolarHBondContact O-NZ 2.9Å; V343-K377 HydrophobicContact CB-CB 4.27Å; V343-K377 HydrophobicContact CB-CG 4.39Å; V343-K377 HydrophobicContact CG2-CB 4.05Å; V343-K377 HydrophobicContact CG2-CG 4.35Å; V343-K377 PolarHBondContact O-NZ 3.36Å; V374-K377 WeakPolarHBondContact O-CB 3.45Å; V374-K377 PolarHBondContact O-N 2.84Å; K375-K377 VanDerWaalsContact C-N 3.27Å; K375-K377 PolarHBondContact O-N 2.92Å
378	K	83.8	Confident	69.9	Low	121 Å²	121	70.4 Å²	70.4	53%	0.526	34%	0.342	S	S	.	.			trans	-51.3	149.6	176.5	-63.3	-177.6	177	-178.7	0	113.3	R42 L376 H380 V393	R42-K378 PolarHBondContact NH2-O 3.45Å; L376-K378 PolarHBondContact O-N 2.92Å; L376-K378 VanDerWaalsContact O-N 3.07Å; K378-H380 VanDerWaalsContact CB-O 3.31Å; K378-H380 WeakPolarHBondContact CB-O 3.3Å; K378-H380 PolarHBondContact O-N 2.87Å; K378-V393 HydrophobicContact CG-CG2 4.3Å
379	K	81.3	Confident	66.6	Low	93 Å²	93	77.3 Å²	77.3	40%	0.404	37%	0.366	S	S	.	.	S	Bend	trans	-53	-50.5	179.1	-166.8	-176.3	179.2	-163.1	0	111.9	F40 R42 C327 E328	F40-K379 HydrophobicContact CD1-CB 3.95Å; F40-K379 HydrophobicContact CD1-CD 4.44Å; F40-K379 HydrophobicContact CD1-CG 4.02Å; F40-K379 HydrophobicContact CD2-CB 4.35Å; F40-K379 HydrophobicContact CE1-CB 3.7Å; F40-K379 HydrophobicContact CE1-CG 4.2Å; F40-K379 HydrophobicContact CE2-CB 4.13Å; F40-K379 VanDerWaalsContact CE2-N 3.28Å; F40-K379 HydrophobicContact CG-CB 4.28Å; F40-K379 HydrophobicContact CG-CG 4.38Å; F40-K379 HydrophobicContact CZ-CB 3.8Å; R42-K379 PolarHBondContact NH1-O 3.02Å; C327-K379 WeakPolarHBondContact CB-O 3.33Å; E328-K379 WeakPolarHBondContact OE1-CE 3.35Å; E328-K379 IonicContact OE1-NZ 2.76Å; E328-K379 PolarHBondContact OE1-NZ 3.24Å
380	H	74.8	Confident	63.5	Low	103 Å²	103	83.2 Å²	83.2	48%	0.477	39%	0.391	S	S	.	.	S	Bend	trans	-127.3	163.3	169.1	46.2	-107.9	0	0	0	109.7	C327 K378	C327-H380 HydrophobicContact CB-CB 3.94Å; K378-H380 VanDerWaalsContact CB-O 3.31Å; K378-H380 WeakPolarHBondContact CB-O 3.3Å; K378-H380 PolarHBondContact O-N 2.87Å
381	H	67.5	Low	60.3	Low	29 Å²	29	86.4 Å²	86.4	13%	0.134	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-72	149.5	161.1	62.4	-88.1	0	0	0	108.8	H325 C327 H346 D383	H325-H381 AromaticContact CE1-CE1 3.43Å; H325-H381 PolarHBondContact CE1-CE1 2.9Å; H325-H381 VanDerWaalsContact CE1-CE1 3.43Å; H325-H381 AromaticContact CE1-NE2 3.32Å; H325-H381 PolarHBondContact CE1-NE2 2.82Å; H325-H381 VanDerWaalsContact CE1-NE2 3.32Å; H325-H381 AromaticContact ND1-CE1 3.19Å; H325-H381 PolarHBondContact ND1-CE1 2.67Å; H325-H381 AromaticContact ND1-NE2 3.61Å; C327-H381 PolarHBondContact SG-ND1 3.25Å; H346-H381 HydrophobicContact CB-CB 4.03Å; H346-H381 AromaticContact CE1-CD2 3.73Å; H346-H381 AromaticContact CE1-CE1 3.93Å; H346-H381 AromaticContact CE1-NE2 3.6Å; H346-H381 AromaticContact ND1-CD2 3.09Å; H346-H381 PolarHBondContact ND1-CD2 3.49Å; H346-H381 AromaticContact ND1-CE1 3.81Å; H346-H381 AromaticContact ND1-CG 3.21Å; H346-H381 AromaticContact ND1-ND1 3.67Å; H346-H381 AromaticContact ND1-NE2 3.45Å; H346-H381 PolarHBondContact ND1-NE2 3.29Å; H381-D383 PolarHBondContact O-N 3.23Å
382	A	49.3	Very low	57.4	Low	58 Å²	58	90.8 Å²	90.8	48%	0.479	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-76.1	119.3	-175.8	0	0	0	0	0	110.4	R384	A382-R384 PolarHBondContact O-N 3.31Å
383	D	46.5	Very low	54.7	Low	64 Å²	64	92.3 Å²	92.3	34%	0.342	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-59.6	128	162.1	-76.2	-47.9	0	0	0	108.9	H325 H381 K385 L386	H325-D383 IonicContact CD2-OD2 2.65Å; H325-D383 IonicContact CE1-OD1 2.73Å; H325-D383 PolarHBondContact CE1-OD1 2.85Å; H325-D383 IonicContact CE1-OD2 3.69Å; H325-D383 VanDerWaalsContact NE2-CG 3.28Å; H325-D383 IonicContact NE2-OD1 3.31Å; H325-D383 PolarHBondContact NE2-OD1 2.97Å; H325-D383 IonicContact NE2-OD2 3.74Å; H325-D383 PolarHBondContact NE2-OD2 3.19Å; H381-D383 PolarHBondContact O-N 3.23Å; D383-K385 PolarHBondContact O-N 2.77Å; D383-L386 PolarHBondContact O-N 2.91Å
384	R	39.8	Very low	51.9	Low	144 Å²	144	94 Å²	94	54%	0.543	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-59.8	-17.7	-173.9	-166.5	166.5	-177	170.1	1.8	113.1	D266 W270 A382 L386 L387	D266-R384 IonicContact OD1-CZ 3.95Å; D266-R384 IonicContact OD1-NH1 2.95Å; D266-R384 PolarHBondContact OD1-NH1 2.83Å; D266-R384 IonicContact OD1-NH2 3.26Å; W270-R384 VanDerWaalsContact NE1-NH1 3.2Å; A382-R384 PolarHBondContact O-N 3.31Å; R384-L386 VanDerWaalsContact C-N 3.27Å; R384-L386 PolarHBondContact O-N 2.83Å; R384-L387 HydrophobicContact CG-CD1 4.15Å
385	K	31.6	Very low	49.1	Very low	207 Å²	207	97.6 Å²	97.6	90%	0.9	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-64.9	-19.3	170.3	-71.8	-172	175.2	-177.6	0	114.8	D383	D383-K385 PolarHBondContact O-N 2.77Å
386	L	30.7	Very low	46.6	Very low	118 Å²	118	99.9 Å²	99.9	62%	0.618	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-109.6	7.5	-175.9	-85.6	167.1	0	0	0	114.8	D383 R384 N388 R389	D383-L386 PolarHBondContact O-N 2.91Å; R384-L386 VanDerWaalsContact C-N 3.27Å; R384-L386 PolarHBondContact O-N 2.83Å; L386-N388 PolarHBondContact O-N 3.26Å; L386-R389 PolarHBondContact O-N 3.46Å
387	L	30.7	Very low	44.1	Very low	127 Å²	127	101.1 Å²	101.1	67%	0.665	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	1.2	-175.6	-116.5	163.7	0	0	0	115.6	R384	R384-L387 HydrophobicContact CG-CD1 4.15Å
388	N	26.2	Very low	41.7	Very low	146 Å²	146	106.2 Å²	106.2	78%	0.781	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.3	176	-88	-29.3	0	0	0	115.2	L386	L386-N388 PolarHBondContact O-N 3.26Å
389	R	24.2	Very low	39.3	Very low	208 Å²	208	107.8 Å²	107.8	79%	0.785	55%	0.545	S	S	*	.	S	Bend	trans	-140.2	150.4	-177.5	-64.6	-171	178.1	-173.2	-0.6	114.3	L386	L386-R389 PolarHBondContact O-N 3.46Å
390	H	27.6	Very low	37.1	Very low	174 Å²	174	109.1 Å²	109.1	81%	0.806	55%	0.55	S	S	*	*			trans	86.8	89.3	173.5	-63.9	-76	0	0	0	119.8
391	S	27.2	Very low	35	Very low	68 Å²	68	108 Å²	108	48%	0.476	57%	0.567	S	S	.	*			trans	-54.8	131	148.4	53.8	0	0	0	0	113.5	S411	S391-S411 WeakPolarHBondContact CA-O 3.38Å; S391-S411 WeakPolarHBondContact CB-O 3.16Å
392	S	30	Very low	33.3	Very low	96 Å²	96	112.1 Å²	112.1	67%	0.671	59%	0.589	S	S	*	*			trans	-164.3	-39.6	159.6	54.9	0	0	0	0	113.6	C394	S392-C394 VanDerWaalsContact C-N 3.28Å; S392-C394 PolarHBondContact O-N 2.83Å
393	V	34.3	Very low	32.6	Very low	48 Å²	48	115 Å²	115	29%	0.291	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-67.9	-22.6	-174.4	-177.9	0	0	0	0	113.8	L376 K378 A395	L376-V393 HydrophobicContact CD2-CG1 4.18Å; K378-V393 HydrophobicContact CG-CG2 4.3Å; V393-A395 PolarHBondContact O-N 2.77Å; V393-A395 VanDerWaalsContact O-N 3.1Å
394	C	31.6	Very low	32.4	Very low	42 Å²	42	116.4 Å²	116.4	28%	0.284	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-67.8	-9.6	-176.3	-162.7	0	0	0	0	114.7	S392	S392-C394 VanDerWaalsContact C-N 3.28Å; S392-C394 PolarHBondContact O-N 2.83Å
395	A	31.9	Very low	32.9	Very low	76 Å²	76	117.6 Å²	117.6	63%	0.628	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-77.2	-43.1	-179.6	0	0	0	0	0	113.2	V393	V393-A395 PolarHBondContact O-N 2.77Å; V393-A395 VanDerWaalsContact O-N 3.1Å
396	Y	37.4	Very low	34.5	Very low	118 Å²	118	112.3 Å²	112.3	46%	0.463	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-74.7	-36.3	-167.9	-166.7	-103.3	0	0	0	113.6	D372 L376 K398	D372-Y396 HydrophobicContact CB-CE1 4.45Å; L376-Y396 HydrophobicContact CD1-CD1 4.37Å; L376-Y396 HydrophobicContact CD2-CD1 3.76Å; L376-Y396 HydrophobicContact CD2-CG 4.19Å; L376-Y396 HydrophobicContact CG-CD1 4.1Å; Y396-K398 PolarHBondContact O-N 3.49Å
397	M	34.5	Very low	36.3	Very low	73 Å²	73	111.1 Å²	111.1	36%	0.36	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-67.5	-15.8	-177	-70.5	178.8	168.2	0	0	114.2	L376 N399	L376-M397 HydrophobicContact CD1-CE 3.99Å; M397-N399 VanDerWaalsContact C-N 3.31Å; M397-N399 PolarHBondContact O-N 3.42Å
398	K	35	Very low	38.3	Very low	117 Å²	117	107.9 Å²	107.9	51%	0.509	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-67.8	-24.6	-177.5	-74.5	-171.7	172.1	-173.6	0	114.5	Y396	Y396-K398 PolarHBondContact O-N 3.49Å
399	N	34.3	Very low	40.7	Very low	154 Å²	154	102.5 Å²	102.5	82%	0.824	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-88.4	1.7	-172.1	-82.3	9.9	0	0	0	115.6	M397	M397-N399 VanDerWaalsContact C-N 3.31Å; M397-N399 PolarHBondContact O-N 3.42Å
400	K	34.9	Very low	42.8	Very low	121 Å²	121	101.4 Å²	101.4	53%	0.526	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-131.7	16.1	-179.6	-78.9	-168.8	173	-179.4	0	115.6	D372 L402	D372-K400 IonicContact OD2-NZ 2.74Å; D372-K400 PolarHBondContact OD2-NZ 3.39Å; K400-L402 HydrophobicContact CB-CD1 4.34Å; K400-L402 PolarHBondContact O-N 2.86Å
401	G	29.4	Very low	44.8	Very low	80 Å²	80	95.1 Å²	95.1	83%	0.825	54%	0.535	S	S	*	.			trans	65.6	5.1	171.4	0	0	0	0	0	116.7	C403	G401-C403 PolarHBondContact O-N 3.48Å
402	L	33.1	Very low	46.7	Very low	115 Å²	115	94 Å²	94	60%	0.602	53%	0.534	S	S	*	.			trans	-86.4	108.6	-175.2	-78.7	154.6	0	0	0	111.4	K400 T404	K400-L402 HydrophobicContact CB-CD1 4.34Å; K400-L402 PolarHBondContact O-N 2.86Å; L402-T404 PolarHBondContact O-N 3.4Å
403	C	34.4	Very low	48.7	Very low	118 Å²	118	96 Å²	96	80%	0.797	53%	0.53	S	S	*	.			trans	35.8	69.7	163.5	-65.6	0	0	0	0	116.2	G401 F405	G401-C403 PolarHBondContact O-N 3.48Å; C403-F405 PolarHBondContact O-N 3.16Å
404	T	41.2	Very low	50.9	Low	95 Å²	95	97.3 Å²	97.3	58%	0.583	55%	0.547	S	S	*	.			trans	-64.6	121.2	164.7	37.7	0	0	0	0	110.6	L402 T406	L402-T404 PolarHBondContact O-N 3.4Å; T404-T406 PolarHBondContact O-N 3.25Å
405	F	51.4	Low	53.4	Low	168 Å²	168	99.9 Å²	99.9	74%	0.737	56%	0.555	S	S	*	*			trans	-61.1	105.5	170.6	-81.4	-82.3	0	0	0	109.6	C403 H407 T408	C403-F405 PolarHBondContact O-N 3.16Å; F405-H407 PolarHBondContact O-N 3.23Å; F405-T408 HydrophobicContact CB-CG2 4.06Å; F405-T408 PolarHBondContact O-N 3.39Å; F405-T408 VanDerWaalsContact O-N 3.15Å; F405-T408 PolarHBondContact O-OG1 2.74Å
406	T	65.2	Low	56	Low	97 Å²	97	100.5 Å²	100.5	60%	0.595	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.2	-170.8	55.9	0	0	0	0	112.9	T404 T408 V417	T404-T406 PolarHBondContact O-N 3.25Å; T406-T408 PolarHBondContact O-N 3.19Å; T406-V417 WeakPolarHBondContact O-CG2 3.33Å
407	H	68.8	Low	58.3	Low	93 Å²	93	96.1 Å²	96.1	43%	0.431	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	26.1	-179.6	-62.6	46.3	0	0	0	112.8	F405 A414 E415 V417	F405-H407 PolarHBondContact O-N 3.23Å; H407-A414 CarbonylContact O-C 3.56Å; H407-A414 VanDerWaalsContact O-CA 3.31Å; H407-A414 WeakPolarHBondContact O-CA 3.22Å; H407-E415 CarbonylContact C-O 3.57Å; H407-E415 VanDerWaalsContact C-O 3.29Å; H407-E415 VanDerWaalsContact CA-O 3.23Å; H407-E415 WeakPolarHBondContact CA-O 3.46Å; H407-E415 PolarHBondContact O-N 2.93Å; H407-V417 VanDerWaalsContact ND1-CG2 3.3Å; H407-V417 WeakPolarHBondContact ND1-CG2 3.5Å
408	T	72	Confident	60.7	Low	58 Å²	58	98.1 Å²	98.1	36%	0.356	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-133.2	134.2	179	61.4	0	0	0	0	112.6	F405 T406 K413	F405-T408 HydrophobicContact CB-CG2 4.06Å; F405-T408 PolarHBondContact O-N 3.39Å; F405-T408 VanDerWaalsContact O-N 3.15Å; F405-T408 PolarHBondContact O-OG1 2.74Å; T406-T408 PolarHBondContact O-N 3.19Å; T408-K413 WeakPolarHBondContact CA-O 3.29Å
409	N	76.3	Confident	63.3	Low	34 Å²	34	93.3 Å²	93.3	18%	0.182	52%	0.523	C	S	.	.			trans	-85.2	-178.7	-176.6	78.5	11.1	0	0	0	113.1	S411 G412 K413 E415	N409-S411 PolarHBondContact O-N 3.21Å; N409-S411 WeakPolarHBondContact OD1-CA 3.5Å; N409-S411 WeakPolarHBondContact OD1-CB 3.47Å; N409-S411 PolarHBondContact OD1-N 3.24Å; N409-S411 PolarHBondContact OD1-OG 2.84Å; N409-G412 PolarHBondContact O-N 2.59Å; N409-G412 PolarHBondContact OD1-N 3.5Å; N409-K413 PolarHBondContact N-O 2.86Å; N409-K413 PolarHBondContact OD1-N 2.86Å; N409-E415 HydrophobicContact CB-CB 3.78Å; N409-E415 HydrophobicContact CB-CG 4.11Å; N409-E415 WeakPolarHBondContact CB-OE1 3.34Å; N409-E415 WeakPolarHBondContact CB-OE2 3.14Å; N409-E415 PolarHBondContact ND2-OE1 2.66Å
410	K	69	Low	65.8	Low	185 Å²	185	91.9 Å²	91.9	80%	0.804	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.1	179.5	-62.6	179.3	-174.7	173.7	0	113.7
411	S	70	Confident	68.3	Low	42 Å²	42	93 Å²	93	29%	0.294	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.8	175.5	77.7	0	0	0	0	114.4	S391 N409 K413	S391-S411 WeakPolarHBondContact CA-O 3.38Å; S391-S411 WeakPolarHBondContact CB-O 3.16Å; N409-S411 PolarHBondContact O-N 3.21Å; N409-S411 WeakPolarHBondContact OD1-CA 3.5Å; N409-S411 WeakPolarHBondContact OD1-CB 3.47Å; N409-S411 PolarHBondContact OD1-N 3.24Å; N409-S411 PolarHBondContact OD1-OG 2.84Å; S411-K413 PolarHBondContact O-N 3.02Å
412	G	67.2	Low	71.1	Confident	44 Å²	44	93.4 Å²	93.4	45%	0.454	51%	0.506	S	S	.	.	S	Bend	trans	71.8	10.6	-174.9	0	0	0	0	0	114.3	N409	N409-G412 PolarHBondContact O-N 2.59Å; N409-G412 PolarHBondContact OD1-N 3.5Å
413	K	72	Confident	73.6	Confident	137 Å²	137	93.4 Å²	93.4	60%	0.596	51%	0.511	S	S	*	.			trans	-74.1	150	164.2	-74.3	-170.3	174	-169.2	0	109.7	T408 N409 S411	T408-K413 WeakPolarHBondContact CA-O 3.29Å; N409-K413 PolarHBondContact N-O 2.86Å; N409-K413 PolarHBondContact OD1-N 2.86Å; S411-K413 PolarHBondContact O-N 3.02Å
414	A	79.2	Confident	76.3	Confident	77 Å²	77	91.4 Å²	91.4	64%	0.636	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-62.6	134.5	172.7	0	0	0	0	0	110.4	H407 L476	H407-A414 CarbonylContact O-C 3.56Å; H407-A414 VanDerWaalsContact O-CA 3.31Å; H407-A414 WeakPolarHBondContact O-CA 3.22Å; A414-L476 HydrophobicContact CB-CD1 3.85Å
415	E	83.7	Confident	78.8	Confident	96 Å²	96	89.3 Å²	89.3	45%	0.449	48%	0.484	S	S	.	.			trans	-149.3	144.3	-175.8	-178.6	169.4	-82.3	0	0	109.7	H407 N409 V417	H407-E415 CarbonylContact C-O 3.57Å; H407-E415 VanDerWaalsContact C-O 3.29Å; H407-E415 VanDerWaalsContact CA-O 3.23Å; H407-E415 WeakPolarHBondContact CA-O 3.46Å; H407-E415 PolarHBondContact O-N 2.93Å; N409-E415 HydrophobicContact CB-CB 3.78Å; N409-E415 HydrophobicContact CB-CG 4.11Å; N409-E415 WeakPolarHBondContact CB-OE1 3.34Å; N409-E415 WeakPolarHBondContact CB-OE2 3.14Å; N409-E415 PolarHBondContact ND2-OE1 2.66Å; E415-V417 PolarHBondContact O-N 3.37Å
416	M	86.4	Confident	80.9	Confident	88 Å²	88	88.7 Å²	88.7	43%	0.433	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-66.9	132.5	177.8	178.7	177.3	-81.5	0	0	110	N418 L476 C477 H478	M416-N418 PolarHBondContact O-N 2.84Å; M416-L476 HydrophobicContact CB-CB 4.49Å; M416-L476 HydrophobicContact CB-CD2 4.22Å; M416-C477 WeakPolarHBondContact CE-O 3.42Å; M416-H478 WeakPolarHBondContact CG-CE1 3.47Å
417	V	86	Confident	82.3	Confident	27 Å²	27	85.4 Å²	85.4	16%	0.164	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-60.1	120.1	175.3	176.1	0	0	0	0	109.5	T406 H407 E415 V419 H478	T406-V417 WeakPolarHBondContact O-CG2 3.33Å; H407-V417 VanDerWaalsContact ND1-CG2 3.3Å; H407-V417 WeakPolarHBondContact ND1-CG2 3.5Å; E415-V417 PolarHBondContact O-N 3.37Å; V417-V419 HydrophobicContact CG1-CG1 4.47Å; V417-V419 PolarHBondContact O-N 2.88Å; V417-H478 PolarHBondContact O-CE1 2.72Å; V417-H478 PolarHBondContact O-NE2 3Å
418	N	86.3	Confident	83.6	Confident	114 Å²	114	81.8 Å²	81.8	61%	0.61	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-65	132	169.3	-169.5	0.4	0	0	0	110.1	M416 L420	M416-N418 PolarHBondContact O-N 2.84Å; N418-L420 VanDerWaalsContact OD1-CB 3.27Å; N418-L420 WeakPolarHBondContact OD1-CB 3.33Å; N418-L420 PolarHBondContact OD1-N 2.95Å
419	V	89.4	Confident	84.8	Confident	16 Å²	16	79 Å²	79	10%	0.097	42%	0.421	C	S	.	.			trans	-117.1	-2.2	178.5	-66	0	0	0	0	113.6	V417 D421 K422 H478 Q509	V417-V419 HydrophobicContact CG1-CG1 4.47Å; V417-V419 PolarHBondContact O-N 2.88Å; V419-D421 PolarHBondContact O-N 2.85Å; V419-D421 VanDerWaalsContact O-N 3.12Å; V419-K422 HydrophobicContact CB-CD 4.01Å; V419-K422 HydrophobicContact CG1-CD 3.96Å; V419-K422 VanDerWaalsContact O-CB 3.31Å; V419-K422 WeakPolarHBondContact O-CB 3.35Å; V419-K422 PolarHBondContact O-N 3.23Å; V419-H478 WeakPolarHBondContact CG1-NE2 3.44Å; V419-H478 WeakPolarHBondContact CG2-NE2 3.15Å; V419-Q509 HydrophobicContact CB-CB 3.9Å; V419-Q509 HydrophobicContact CG2-CB 4.03Å; V419-Q509 PolarHBondContact O-NE2 3.11Å
420	L	86.8	Confident	85.8	Confident	125 Å²	125	78.9 Å²	78.9	65%	0.654	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-45	-172.7	-171.2	75.5	0	0	0	112.9	N418 K422 Q509	N418-L420 VanDerWaalsContact OD1-CB 3.27Å; N418-L420 WeakPolarHBondContact OD1-CB 3.33Å; N418-L420 PolarHBondContact OD1-N 2.95Å; L420-K422 VanDerWaalsContact C-N 3.27Å; L420-K422 PolarHBondContact O-N 3.37Å; L420-Q509 PolarHBondContact O-NE2 2.96Å
421	D	86.1	Confident	87.2	Confident	144 Å²	144	70.1 Å²	70.1	77%	0.77	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	0.3	-175.7	-42.5	-53.8	0	0	0	114	V419	V419-D421 PolarHBondContact O-N 2.85Å; V419-D421 VanDerWaalsContact O-N 3.12Å
422	K	88.1	Confident	88.6	Confident	88 Å²	88	68.4 Å²	68.4	38%	0.383	37%	0.369	S	S	.	.	S	Bend	trans	-91.5	125.8	-178.1	-58.2	175.9	-171.4	168.5	0	110	V419 L420 Q509	V419-K422 HydrophobicContact CB-CD 4.01Å; V419-K422 HydrophobicContact CG1-CD 3.96Å; V419-K422 VanDerWaalsContact O-CB 3.31Å; V419-K422 WeakPolarHBondContact O-CB 3.35Å; V419-K422 PolarHBondContact O-N 3.23Å; L420-K422 VanDerWaalsContact C-N 3.27Å; L420-K422 PolarHBondContact O-N 3.37Å; K422-Q509 HydrophobicContact CB-CB 4.19Å; K422-Q509 WeakPolarHBondContact CD-O 3.14Å; K422-Q509 WeakPolarHBondContact O-CG 3.25Å; K422-Q509 PolarHBondContact O-NE2 2.78Å
423	T	87.4	Confident	90.1	Very high	116 Å²	116	66.3 Å²	66.3	71%	0.712	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-58.6	128.2	173.9	-37.4	0	0	0	0	110.9	T425	T423-T425 PolarHBondContact O-N 3.36Å
424	P	90.9	Very high	91.3	Very high	75 Å²	75	59.9 Å²	59.9	49%	0.487	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-56.6	138.4	169.9	-23.8	33.6	0	0	0	111.2	Q509	P424-Q509 HydrophobicContact CG-CG 4.03Å
425	T	92.9	Very high	92.2	Very high	52 Å²	52	56.2 Å²	56.2	32%	0.319	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.1	-178.5	31.5	0	0	0	0	109.2	T423 R427 V507 G508	T423-T425 PolarHBondContact O-N 3.36Å; T425-R427 PolarHBondContact O-N 2.62Å; T425-R427 PolarHBondContact OG1-NE 2.87Å; T425-R427 PolarHBondContact OG1-NH2 3.38Å; T425-V507 WeakPolarHBondContact O-CA 3.14Å; T425-G508 PolarHBondContact N-O 2.79Å; T425-G508 PolarHBondContact O-N 2.86Å
426	R	94.6	Very high	92.8	Very high	154 Å²	154	55 Å²	55	58%	0.581	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	129.7	168.8	-175.7	176.1	176.3	-126.9	-1.7	108.7	Q505 C506 V507 G550	R426-Q505 VanDerWaalsContact NH2-CD 3.35Å; R426-C506 CarbonylContact C-O 3.58Å; R426-C506 WeakPolarHBondContact CA-O 3.35Å; R426-V507 HydrophobicContact CB-CG2 4.49Å; R426-G550 WeakPolarHBondContact O-CA 3.42Å
427	R	95.1	Very high	93.2	Very high	29 Å²	29	51.5 Å²	51.5	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.5	176.7	-54.2	-61	-179.1	105.2	22.3	109.6	T425 Q505 C506 G508 Q509 T510 V512 T549 G550	T425-R427 PolarHBondContact O-N 2.62Å; T425-R427 PolarHBondContact OG1-NE 2.87Å; T425-R427 PolarHBondContact OG1-NH2 3.38Å; R427-Q505 VanDerWaalsContact O-CA 3.28Å; R427-Q505 WeakPolarHBondContact O-CA 3.49Å; R427-C506 PolarHBondContact N-O 2.69Å; R427-C506 PolarHBondContact O-N 2.65Å; R427-C506 VanDerWaalsContact O-N 3.11Å; R427-G508 PolarHBondContact NH2-O 2.78Å; R427-Q509 VanDerWaalsContact NH2-C 3.3Å; R427-Q509 PolarHBondContact NH2-O 3.28Å; R427-T510 WeakPolarHBondContact CG-O 3.45Å; R427-V512 HydrophobicContact CB-CG2 4.14Å; R427-T549 WeakPolarHBondContact CA-O 3.26Å; R427-G550 VanDerWaalsContact CD-C 3.45Å; R427-G550 WeakPolarHBondContact CD-O 3.42Å; R427-G550 PolarHBondContact NH1-O 2.98Å; R427-G550 VanDerWaalsContact NH1-O 3.08Å
428	V	96.5	Very high	93.5	Very high	16 Å²	16	52 Å²	52	10%	0.097	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.1	168.1	-172.6	0	0	0	0	107.9	E503 V504 Q505 K548 T549	V428-E503 HydrophobicContact CG1-CG 3.78Å; V428-V504 WeakPolarHBondContact CA-O 3.26Å; V428-Q505 HydrophobicContact CG1-CG 4.22Å; V428-Q505 HydrophobicContact CG2-CG 4.06Å; V428-K548 CarbonylContact O-C 3.5Å; V428-K548 VanDerWaalsContact O-CA 3.28Å; V428-K548 WeakPolarHBondContact O-CA 3.08Å; V428-T549 PolarHBondContact N-O 3.14Å; V428-T549 PolarHBondContact O-N 3.41Å
429	A	97.3	Very high	93.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.1	170.1	0	0	0	0	0	109.3	E503 V504 V512 A516 L545	A429-E503 WeakPolarHBondContact O-CA 3.43Å; A429-V504 PolarHBondContact N-O 2.84Å; A429-V504 PolarHBondContact O-N 3.1Å; A429-V512 HydrophobicContact CB-CG2 3.92Å; A429-V512 WeakPolarHBondContact CB-O 3.5Å; A429-A516 HydrophobicContact CB-CB 3.92Å; A429-L545 HydrophobicContact CB-CD1 4.06Å
430	I	97.9	Very high	93.8	Very high	31 Å²	31	57.3 Å²	57.3	16%	0.159	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.6	174.1	-58.2	178	0	0	0	108.3	S502 E503 L545 K546 E547	I430-S502 CarbonylContact C-O 3.54Å; I430-S502 VanDerWaalsContact CA-O 3.24Å; I430-S502 WeakPolarHBondContact CA-O 3.49Å; I430-E503 HydrophobicContact CG1-CB 4.32Å; I430-E503 HydrophobicContact CG1-CG 4.11Å; I430-L545 WeakPolarHBondContact O-CD1 3.45Å; I430-K546 HydrophobicContact CB-CB 4.48Å; I430-K546 HydrophobicContact CG2-CB 4.13Å; I430-K546 HydrophobicContact CG2-CD 4.27Å; I430-K546 PolarHBondContact O-N 2.85Å; I430-E547 HydrophobicContact CB-CB 4.27Å; I430-E547 HydrophobicContact CD1-CB 4.41Å; I430-E547 PolarHBondContact N-O 2.55Å; I430-E547 PolarHBondContact O-N 2.97Å
431	A	98.3	Very high	94	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	161.2	176	0	0	0	0	0	110.9	N501 S502 A516 L517 V520 F544	A431-N501 CarbonylContact O-C 3.54Å; A431-N501 WeakPolarHBondContact O-CA 3.45Å; A431-S502 PolarHBondContact N-O 3.25Å; A431-S502 PolarHBondContact O-N 2.74Å; A431-A516 HydrophobicContact CB-CB 3.76Å; A431-L517 HydrophobicContact CB-CD2 4.22Å; A431-L517 HydrophobicContact CB-CG 4.39Å; A431-V520 HydrophobicContact CB-CG1 4.41Å; A431-V520 HydrophobicContact CB-CG2 3.95Å; A431-F544 WeakPolarHBondContact CA-O 3.35Å
432	T	98.5	Very high	94.2	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.6	179.5	-143.5	0	0	0	0	110.6	F500 N501 D542 I543 F544	T432-F500 CarbonylContact C-O 3.55Å; T432-F500 VanDerWaalsContact CA-O 3.25Å; T432-F500 WeakPolarHBondContact CA-O 3.46Å; T432-F500 PolarHBondContact OG1-O 2.92Å; T432-F500 VanDerWaalsContact OG1-O 3.05Å; T432-N501 PolarHBondContact OG1-OD1 3.28Å; T432-D542 CarbonylContact C-O 3.53Å; T432-D542 WeakPolarHBondContact CG2-O 3.4Å; T432-I543 WeakPolarHBondContact O-CA 3.47Å; T432-F544 HydrophobicContact CG2-CD1 3.86Å; T432-F544 HydrophobicContact CG2-CD2 4.44Å; T432-F544 HydrophobicContact CG2-CE1 3.48Å; T432-F544 VanDerWaalsContact CG2-CE1 3.48Å; T432-F544 HydrophobicContact CG2-CE2 4.11Å; T432-F544 HydrophobicContact CG2-CG 4.32Å; T432-F544 HydrophobicContact CG2-CZ 3.62Å; T432-F544 PolarHBondContact N-O 3.41Å; T432-F544 PolarHBondContact O-N 2.93Å
433	A	98.3	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	141.7	168.7	0	0	0	0	0	109.9	I499 F500 V520 A524 I543	A433-I499 CarbonylContact O-C 3.58Å; A433-I499 WeakPolarHBondContact O-CA 3.3Å; A433-F500 PolarHBondContact N-O 3.4Å; A433-F500 PolarHBondContact O-N 2.99Å; A433-V520 HydrophobicContact CB-CB 3.8Å; A433-V520 HydrophobicContact CB-CG2 4.03Å; A433-A524 HydrophobicContact CB-CB 4.28Å; A433-I543 HydrophobicContact CB-CG1 3.81Å
434	G	97.8	Very high	94.3	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.4	172	0	0	0	0	0	112	V498 I540 T541	G434-V498 CarbonylContact C-O 3.6Å; G434-I540 CarbonylContact O-C 3.47Å; G434-I540 WeakPolarHBondContact O-CA 3.36Å; G434-T541 PolarHBondContact N-O 3.35Å; G434-T541 PolarHBondContact O-N 2.84Å
435	V	97.8	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	103.2	168.4	-172.1	0	0	0	0	108.5	L437 V497 V498 F500 A524 L527 I538 T539 I540	V435-L437 HydrophobicContact CG1-CD2 4.2Å; V435-L437 HydrophobicContact CG1-CG 4.25Å; V435-V497 WeakPolarHBondContact O-CA 3.47Å; V435-V497 WeakPolarHBondContact O-CG2 3.08Å; V435-V498 PolarHBondContact N-O 3.36Å; V435-V498 PolarHBondContact O-N 3.27Å; V435-F500 HydrophobicContact CG2-CD2 4.14Å; V435-F500 HydrophobicContact CG2-CE2 4.07Å; V435-A524 HydrophobicContact CG2-CB 3.55Å; V435-L527 HydrophobicContact CB-CD2 4.07Å; V435-L527 HydrophobicContact CG1-CD2 4.1Å; V435-L527 HydrophobicContact CG1-CG 4.45Å; V435-L527 HydrophobicContact CG2-CD2 4.29Å; V435-I538 HydrophobicContact CG1-CG2 3.91Å; V435-T539 CarbonylContact C-O 3.6Å; V435-T539 WeakPolarHBondContact CA-O 3.42Å; V435-I540 HydrophobicContact CG2-CG1 4.42Å
436	H	96.9	Very high	93.7	Very high	69 Å²	69	41.1 Å²	41.1	32%	0.319	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.4	173.2	-78.1	-83.5	0	0	0	110.2	I538 T539	H436-I538 WeakPolarHBondContact O-CA 3.47Å; H436-T539 PolarHBondContact N-O 2.87Å; H436-T539 PolarHBondContact O-N 3.05Å
437	L	94.4	Very high	93.1	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.084	19%	0.193	C	C	.	.			trans	-132.8	178	-174.2	-63.1	163.2	0	0	0	108	V435 I441 I442 I445 A496 V498 L527 C531 I538	V435-L437 HydrophobicContact CG1-CD2 4.2Å; V435-L437 HydrophobicContact CG1-CG 4.25Å; L437-I441 HydrophobicContact CB-CB 4.43Å; L437-I441 HydrophobicContact CB-CG2 4.47Å; L437-I441 HydrophobicContact CD1-CG2 4.24Å; L437-I441 HydrophobicContact CD2-CG2 3.99Å; L437-I441 HydrophobicContact CG-CG2 4.47Å; L437-I442 HydrophobicContact CB-CD1 4.39Å; L437-I442 HydrophobicContact CD1-CD1 3.67Å; L437-I445 HydrophobicContact CD1-CD1 3.66Å; L437-A496 PolarHBondContact N-O 3.24Å; L437-A496 VanDerWaalsContact O-CB 3.27Å; L437-A496 WeakPolarHBondContact O-CB 3.34Å; L437-V498 HydrophobicContact CD1-CG2 3.99Å; L437-L527 HydrophobicContact CD1-CD2 4.31Å; L437-C531 HydrophobicContact CD2-CB 4.34Å; L437-I538 HydrophobicContact CD2-CB 4.37Å; L437-I538 HydrophobicContact CD2-CD1 3.9Å; L437-I538 HydrophobicContact CD2-CG1 3.91Å; L437-I538 HydrophobicContact CD2-CG2 3.73Å
438	N	92.5	Very high	92.4	Very high	37 Å²	37	39.6 Å²	39.6	20%	0.198	21%	0.211	C	C	.	.			trans	-99.2	160.9	167.4	64.9	41	0	0	0	112	K440 I441 I442 S535 D537	N438-K440 PolarHBondContact O-N 3.29Å; N438-K440 PolarHBondContact OD1-N 3.07Å; N438-I441 PolarHBondContact O-N 2.92Å; N438-I441 PolarHBondContact OD1-N 3.16Å; N438-I442 PolarHBondContact O-N 3.29Å; N438-S535 VanDerWaalsContact ND2-CB 3.31Å; N438-S535 WeakPolarHBondContact ND2-CB 3.26Å; N438-S535 PolarHBondContact ND2-OG 2.64Å; N438-S535 VanDerWaalsContact ND2-OG 3.1Å; N438-D537 PolarHBondContact ND2-OD1 3.34Å; N438-D537 PolarHBondContact ND2-OD2 3.33Å
439	D	90.4	Very high	91.7	Very high	101 Å²	101	45.6 Å²	45.6	54%	0.54	24%	0.238	S	C	.	.	H	α-helix	trans	-50.7	-33.7	-175.9	-57.1	16.1	0	0	0	113.6	R443	D439-R443 WeakPolarHBondContact O-CB 3.16Å; D439-R443 VanDerWaalsContact O-CG 3.24Å; D439-R443 WeakPolarHBondContact O-CG 3.46Å; D439-R443 PolarHBondContact O-N 3.1Å
440	K	90.4	Very high	90.9	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-68	-45.8	178.3	-175.9	-177.9	177.1	-175.8	0	110.9	N438 L444	N438-K440 PolarHBondContact O-N 3.29Å; N438-K440 PolarHBondContact OD1-N 3.07Å; K440-L444 HydrophobicContact CG-CD1 4.18Å; K440-L444 VanDerWaalsContact O-CG 3.3Å; K440-L444 WeakPolarHBondContact O-CG 3.46Å; K440-L444 PolarHBondContact O-N 2.91Å
441	I	91.2	Very high	89.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-72.1	-41.5	-179.7	-62.3	169.1	0	0	0	110.5	L437 N438 R443 L444 I445 C531 L534 I538	L437-I441 HydrophobicContact CB-CB 4.43Å; L437-I441 HydrophobicContact CB-CG2 4.47Å; L437-I441 HydrophobicContact CD1-CG2 4.24Å; L437-I441 HydrophobicContact CD2-CG2 3.99Å; L437-I441 HydrophobicContact CG-CG2 4.47Å; N438-I441 PolarHBondContact O-N 2.92Å; N438-I441 PolarHBondContact OD1-N 3.16Å; I441-R443 VanDerWaalsContact C-N 3.3Å; I441-R443 PolarHBondContact O-N 3.25Å; I441-L444 PolarHBondContact O-N 3.3Å; I441-I445 HydrophobicContact CG2-CD1 3.7Å; I441-I445 HydrophobicContact CG2-CG1 4.26Å; I441-I445 WeakPolarHBondContact O-CB 3.38Å; I441-I445 VanDerWaalsContact O-CG1 3.28Å; I441-I445 WeakPolarHBondContact O-CG1 3.37Å; I441-I445 PolarHBondContact O-N 3.19Å; I441-C531 HydrophobicContact CD1-CB 4.49Å; I441-C531 HydrophobicContact CG2-CB 4.04Å; I441-L534 HydrophobicContact CD1-CB 3.84Å; I441-L534 HydrophobicContact CG1-CB 3.86Å; I441-L534 HydrophobicContact CG1-CD1 4.17Å; I441-I538 HydrophobicContact CD1-CD1 4.34Å
442	I	91.3	Very high	88.7	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-37.9	-179.4	-148.2	74.6	0	0	0	111.9	L437 N438 I445 G446 V491 E493 A496 V498	L437-I442 HydrophobicContact CB-CD1 4.39Å; L437-I442 HydrophobicContact CD1-CD1 3.67Å; N438-I442 PolarHBondContact O-N 3.29Å; I442-I445 WeakPolarHBondContact O-CB 3.36Å; I442-I445 PolarHBondContact O-N 2.88Å; I442-G446 PolarHBondContact O-N 2.84Å; I442-V491 HydrophobicContact CD1-CG1 3.89Å; I442-V491 HydrophobicContact CG1-CG1 3.84Å; I442-E493 HydrophobicContact CG1-CG 4.32Å; I442-E493 HydrophobicContact CG2-CB 4.38Å; I442-E493 HydrophobicContact CG2-CG 4.42Å; I442-A496 HydrophobicContact CB-CB 4.33Å; I442-A496 HydrophobicContact CG2-CB 4.25Å; I442-V498 HydrophobicContact CD1-CG2 3.76Å
443	R	88.3	Confident	87.9	Confident	164 Å²	164	56.1 Å²	56.1	62%	0.619	31%	0.313	S	S	*	.	H	α-helix	trans	-70.2	-42.6	175.3	-69.7	176.2	-167.4	-172.8	7.3	113.2	D439 I441 I445 G446 A447	D439-R443 WeakPolarHBondContact O-CB 3.16Å; D439-R443 VanDerWaalsContact O-CG 3.24Å; D439-R443 WeakPolarHBondContact O-CG 3.46Å; D439-R443 PolarHBondContact O-N 3.1Å; I441-R443 VanDerWaalsContact C-N 3.3Å; I441-R443 PolarHBondContact O-N 3.25Å; R443-I445 PolarHBondContact O-N 2.77Å; R443-G446 PolarHBondContact O-N 3.07Å; R443-A447 WeakPolarHBondContact O-CB 3.2Å; R443-A447 PolarHBondContact O-N 3.02Å
444	L	89	Confident	87.5	Confident	38 Å²	38	58.8 Å²	58.8	20%	0.199	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-31.6	174.8	-74.1	168.5	0	0	0	112	K440 I441 N448 E449 M450 L534	K440-L444 HydrophobicContact CG-CD1 4.18Å; K440-L444 VanDerWaalsContact O-CG 3.3Å; K440-L444 WeakPolarHBondContact O-CG 3.46Å; K440-L444 PolarHBondContact O-N 2.91Å; I441-L444 PolarHBondContact O-N 3.3Å; L444-N448 PolarHBondContact O-N 2.68Å; L444-E449 HydrophobicContact CD2-CB 3.89Å; L444-E449 PolarHBondContact O-N 3.06Å; L444-M450 HydrophobicContact CB-CG 4.28Å; L444-M450 HydrophobicContact CB-SD 3.91Å; L444-L534 HydrophobicContact CD1-CD1 3.98Å
445	I	88.8	Confident	87.3	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-50.3	171.8	-72	170.9	0	0	0	111	L437 I441 I442 R443 A447 N448 M450 V455 L456 L527	L437-I445 HydrophobicContact CD1-CD1 3.66Å; I441-I445 HydrophobicContact CG2-CD1 3.7Å; I441-I445 HydrophobicContact CG2-CG1 4.26Å; I441-I445 WeakPolarHBondContact O-CB 3.38Å; I441-I445 VanDerWaalsContact O-CG1 3.28Å; I441-I445 WeakPolarHBondContact O-CG1 3.37Å; I441-I445 PolarHBondContact O-N 3.19Å; I442-I445 WeakPolarHBondContact O-CB 3.36Å; I442-I445 PolarHBondContact O-N 2.88Å; R443-I445 PolarHBondContact O-N 2.77Å; I445-A447 VanDerWaalsContact C-N 3.31Å; I445-A447 PolarHBondContact O-N 3.4Å; I445-N448 PolarHBondContact O-N 2.97Å; I445-M450 HydrophobicContact CG1-CG 4.02Å; I445-M450 HydrophobicContact CG1-SD 4.43Å; I445-V455 HydrophobicContact CD1-CG2 4.23Å; I445-V455 HydrophobicContact CG1-CG2 3.8Å; I445-L456 HydrophobicContact CG2-CD1 3.52Å; I445-L456 HydrophobicContact CG2-CD2 3.94Å; I445-L456 HydrophobicContact CG2-CG 3.72Å; I445-L527 HydrophobicContact CD1-CD1 4.04Å
446	G	82	Confident	87.1	Confident	46 Å²	46	59.4 Å²	59.4	47%	0.474	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-37.5	179.6	0	0	0	0	0	113.5	I442 R443 N448	I442-G446 PolarHBondContact O-N 2.84Å; R443-G446 PolarHBondContact O-N 3.07Å; G446-N448 VanDerWaalsContact C-N 3.32Å
447	A	82.7	Confident	87	Confident	60 Å²	60	58.5 Å²	58.5	50%	0.496	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.8	174.4	0	0	0	0	0	114.2	R443 I445 E449	R443-A447 WeakPolarHBondContact O-CB 3.2Å; R443-A447 PolarHBondContact O-N 3.02Å; I445-A447 VanDerWaalsContact C-N 3.31Å; I445-A447 PolarHBondContact O-N 3.4Å; A447-E449 HydrophobicContact CB-CB 4.4Å; A447-E449 HydrophobicContact CB-CG 3.8Å; A447-E449 PolarHBondContact O-N 3.38Å
448	N	80.3	Confident	87	Confident	91 Å²	91	60.8 Å²	60.8	49%	0.487	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	30.6	-171.6	-156.9	16.5	0	0	0	114.2	L444 I445 G446 M450 D454	L444-N448 PolarHBondContact O-N 2.68Å; I445-N448 PolarHBondContact O-N 2.97Å; G446-N448 VanDerWaalsContact C-N 3.32Å; N448-M450 VanDerWaalsContact C-N 3.31Å; N448-D454 WeakPolarHBondContact OD1-CA 3.38Å
449	E	81.3	Confident	87.3	Confident	142 Å²	142	59 Å²	59	66%	0.664	33%	0.334	S	S	*	.			trans	-91.2	12	-179.7	-68.2	-175.4	156.8	0	0	112.9	L444 A447 A451	L444-E449 HydrophobicContact CD2-CB 3.89Å; L444-E449 PolarHBondContact O-N 3.06Å; A447-E449 HydrophobicContact CB-CB 4.4Å; A447-E449 HydrophobicContact CB-CG 3.8Å; A447-E449 PolarHBondContact O-N 3.38Å; E449-A451 PolarHBondContact O-N 3.31Å
450	M	81	Confident	87.6	Confident	11 Å²	11	56.6 Å²	56.6	5%	0.054	32%	0.32	C	S	.	.			trans	-64.1	123.9	177.9	-77.6	-67.6	-72.7	0	0	111.3	L444 I445 N448 K452 G453 V455 C531 L534	L444-M450 HydrophobicContact CB-CG 4.28Å; L444-M450 HydrophobicContact CB-SD 3.91Å; I445-M450 HydrophobicContact CG1-CG 4.02Å; I445-M450 HydrophobicContact CG1-SD 4.43Å; N448-M450 VanDerWaalsContact C-N 3.31Å; M450-K452 PolarHBondContact O-N 2.65Å; M450-G453 PolarHBondContact O-N 2.92Å; M450-V455 HydrophobicContact CB-CG1 3.94Å; M450-V455 HydrophobicContact CE-CG1 3.85Å; M450-V455 HydrophobicContact CG-CG1 4.12Å; M450-V455 HydrophobicContact CG-CG2 4.16Å; M450-C531 HydrophobicContact CE-CB 4.47Å; M450-L534 HydrophobicContact CE-CD1 3.81Å; M450-L534 HydrophobicContact SD-CD1 3.55Å; M450-L534 VanDerWaalsContact SD-CD1 3.55Å
451	A	73.3	Confident	87.9	Confident	114 Å²	114	54.1 Å²	54.1	94%	0.942	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-9	-177.9	0	0	0	0	0	115.3	E449	E449-A451 PolarHBondContact O-N 3.31Å
452	K	76.4	Confident	88.3	Confident	97 Å²	97	54.9 Å²	54.9	42%	0.422	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8	171.3	-62	-169.8	-178.8	-178.1	0	113.5	M450 D529 M530	M450-K452 PolarHBondContact O-N 2.65Å; K452-D529 PolarHBondContact NZ-O 2.94Å; K452-D529 IonicContact NZ-OD2 3.16Å; K452-M530 HydrophobicContact CB-CE 3.62Å; K452-M530 HydrophobicContact CB-SD 4.29Å; K452-M530 HydrophobicContact CD-CB 4.28Å; K452-M530 HydrophobicContact CD-CE 4.02Å; K452-M530 WeakPolarHBondContact CD-O 3.31Å; K452-M530 HydrophobicContact CD-SD 3.53Å; K452-M530 VanDerWaalsContact CD-SD 3.53Å; K452-M530 VanDerWaalsContact CE-O 3.26Å; K452-M530 WeakPolarHBondContact CE-O 3.42Å; K452-M530 HydrophobicContact CG-CE 4.49Å; K452-M530 PolarHBondContact NZ-O 2.78Å
453	G	82.7	Confident	88.6	Confident	36 Å²	36	54.8 Å²	54.8	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	79.1	-162.1	-171.4	0	0	0	0	0	113	M450 V455	M450-G453 PolarHBondContact O-N 2.92Å; G453-V455 WeakPolarHBondContact O-CG1 3.47Å; G453-V455 PolarHBondContact O-N 2.85Å
454	D	88.7	Confident	89.1	Confident	57 Å²	57	49.3 Å²	49.3	31%	0.305	30%	0.301	S	S	.	.			trans	-66.3	92	-177.6	-177.7	-11	0	0	0	112.2	N448 L456 T457 V458	N448-D454 WeakPolarHBondContact OD1-CA 3.38Å; D454-L456 VanDerWaalsContact C-N 3.26Å; D454-L456 PolarHBondContact O-N 3.11Å; D454-L456 PolarHBondContact OD1-N 3.15Å; D454-T457 VanDerWaalsContact CG-CB 3.45Å; D454-T457 VanDerWaalsContact CG-OG1 3.29Å; D454-T457 PolarHBondContact OD1-N 2.8Å; D454-T457 PolarHBondContact OD1-OG1 2.7Å; D454-T457 WeakPolarHBondContact OD2-CB 3.29Å; D454-T457 PolarHBondContact OD2-OG1 3.38Å; D454-V458 WeakPolarHBondContact O-CB 3.4Å; D454-V458 VanDerWaalsContact O-CG2 3.24Å; D454-V458 WeakPolarHBondContact O-CG2 3.28Å; D454-V458 PolarHBondContact O-N 2.73Å; D454-V458 VanDerWaalsContact O-N 3.14Å
455	V	93.3	Very high	89.5	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-23.7	-179.8	-58.9	0	0	0	0	113.3	I445 M450 G453 S459 L527 M530	I445-V455 HydrophobicContact CD1-CG2 4.23Å; I445-V455 HydrophobicContact CG1-CG2 3.8Å; M450-V455 HydrophobicContact CB-CG1 3.94Å; M450-V455 HydrophobicContact CE-CG1 3.85Å; M450-V455 HydrophobicContact CG-CG1 4.12Å; M450-V455 HydrophobicContact CG-CG2 4.16Å; G453-V455 WeakPolarHBondContact O-CG1 3.47Å; G453-V455 PolarHBondContact O-N 2.85Å; V455-S459 VanDerWaalsContact O-CB 3.28Å; V455-S459 WeakPolarHBondContact O-CB 3.45Å; V455-S459 PolarHBondContact O-N 3.38Å; V455-S459 VanDerWaalsContact O-N 3.08Å; V455-S459 PolarHBondContact O-OG 2.86Å; V455-L527 HydrophobicContact CB-CD1 4.03Å; V455-L527 HydrophobicContact CG2-CD1 3.66Å; V455-M530 HydrophobicContact CB-CB 4Å; V455-M530 HydrophobicContact CB-CG 4.37Å; V455-M530 HydrophobicContact CG1-CB 3.66Å; V455-M530 HydrophobicContact CG1-CE 4.11Å; V455-M530 HydrophobicContact CG1-CG 4.19Å
456	L	94.5	Very high	89.9	Confident	13 Å²	13	53 Å²	53	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-80.6	-47.3	-177.8	-64.9	-177.6	0	0	0	110.9	I445 D454 V458 S459 Q460 Y489 V491 V498 F500 L527	I445-L456 HydrophobicContact CG2-CD1 3.52Å; I445-L456 HydrophobicContact CG2-CD2 3.94Å; I445-L456 HydrophobicContact CG2-CG 3.72Å; D454-L456 VanDerWaalsContact C-N 3.26Å; D454-L456 PolarHBondContact O-N 3.11Å; D454-L456 PolarHBondContact OD1-N 3.15Å; L456-V458 VanDerWaalsContact C-N 3.34Å; L456-V458 PolarHBondContact O-N 2.91Å; L456-S459 PolarHBondContact O-N 2.85Å; L456-Q460 WeakPolarHBondContact O-CB 3.14Å; L456-Q460 PolarHBondContact O-N 3.18Å; L456-Y489 HydrophobicContact CB-CD1 4.26Å; L456-Y489 HydrophobicContact CB-CD2 4.49Å; L456-Y489 HydrophobicContact CB-CE1 3.74Å; L456-Y489 HydrophobicContact CB-CE2 4Å; L456-Y489 HydrophobicContact CD1-CD2 3.93Å; L456-Y489 HydrophobicContact CD1-CE2 3.54Å; L456-Y489 HydrophobicContact CG-CE2 4.34Å; L456-V491 HydrophobicContact CD1-CG2 3.9Å; L456-V498 HydrophobicContact CD2-CG1 3.95Å; L456-V498 HydrophobicContact CD2-CG2 4.29Å; L456-F500 HydrophobicContact CD2-CZ 4.48Å; L456-L527 HydrophobicContact CD2-CD1 4.09Å; L456-L527 HydrophobicContact CD2-CD2 4.23Å
457	T	93.9	Very high	90.7	Very high	49 Å²	49	50.9 Å²	50.9	30%	0.301	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-41.4	173.4	-64.3	0	0	0	0	111	D454 S459 Q460 I461	D454-T457 VanDerWaalsContact CG-CB 3.45Å; D454-T457 VanDerWaalsContact CG-OG1 3.29Å; D454-T457 PolarHBondContact OD1-N 2.8Å; D454-T457 PolarHBondContact OD1-OG1 2.7Å; D454-T457 WeakPolarHBondContact OD2-CB 3.29Å; D454-T457 PolarHBondContact OD2-OG1 3.38Å; T457-S459 VanDerWaalsContact C-N 3.34Å; T457-S459 PolarHBondContact O-N 3.17Å; T457-Q460 PolarHBondContact O-N 3.49Å; T457-I461 HydrophobicContact CG2-CD1 3.85Å; T457-I461 HydrophobicContact CG2-CG1 4.43Å; T457-I461 WeakPolarHBondContact O-CB 3.43Å; T457-I461 VanDerWaalsContact O-CG1 3.29Å; T457-I461 WeakPolarHBondContact O-CG1 3.28Å; T457-I461 PolarHBondContact O-N 3.07Å
458	V	95.6	Very high	91.3	Very high	64 Å²	64	54.5 Å²	54.5	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-43.4	173.7	170.3	0	0	0	0	111.4	D454 L456 I461 A462 T526 M530	D454-V458 WeakPolarHBondContact O-CB 3.4Å; D454-V458 VanDerWaalsContact O-CG2 3.24Å; D454-V458 WeakPolarHBondContact O-CG2 3.28Å; D454-V458 PolarHBondContact O-N 2.73Å; D454-V458 VanDerWaalsContact O-N 3.14Å; L456-V458 VanDerWaalsContact C-N 3.34Å; L456-V458 PolarHBondContact O-N 2.91Å; V458-I461 PolarHBondContact O-N 3.4Å; V458-A462 WeakPolarHBondContact O-CB 3.35Å; V458-A462 PolarHBondContact O-N 2.7Å; V458-T526 HydrophobicContact CG1-CG2 3.99Å; V458-M530 HydrophobicContact CB-CE 4.42Å; V458-M530 HydrophobicContact CG1-CE 4.11Å; V458-M530 HydrophobicContact CG2-CE 4.48Å
459	S	97.3	Very high	92.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-38.6	176.8	-60.4	0	0	0	0	113	V455 L456 T457 A462 G463 A523 L527	V455-S459 VanDerWaalsContact O-CB 3.28Å; V455-S459 WeakPolarHBondContact O-CB 3.45Å; V455-S459 PolarHBondContact O-N 3.38Å; V455-S459 VanDerWaalsContact O-N 3.08Å; V455-S459 PolarHBondContact O-OG 2.86Å; L456-S459 PolarHBondContact O-N 2.85Å; T457-S459 VanDerWaalsContact C-N 3.34Å; T457-S459 PolarHBondContact O-N 3.17Å; S459-A462 PolarHBondContact O-N 3.32Å; S459-G463 PolarHBondContact O-N 2.99Å; S459-A523 WeakPolarHBondContact CB-O 3.38Å; S459-A523 WeakPolarHBondContact O-CA 3.43Å; S459-A523 VanDerWaalsContact O-CB 3.31Å; S459-A523 WeakPolarHBondContact O-CB 3.24Å; S459-L527 WeakPolarHBondContact OG-CA 3.44Å; S459-L527 PolarHBondContact OG-N 3.35Å; S459-L527 VanDerWaalsContact OG-N 3.15Å
460	Q	97.4	Very high	92.9	Very high	51 Å²	51	48.8 Å²	48.8	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.3	-169.3	-178	21.9	0	0	111.4	L456 T457 G463 I464 V487 Y489	L456-Q460 WeakPolarHBondContact O-CB 3.14Å; L456-Q460 PolarHBondContact O-N 3.18Å; T457-Q460 PolarHBondContact O-N 3.49Å; Q460-G463 PolarHBondContact O-N 2.91Å; Q460-I464 WeakPolarHBondContact O-CG1 3.38Å; Q460-I464 PolarHBondContact O-N 2.82Å; Q460-I464 VanDerWaalsContact O-N 3.09Å; Q460-V487 HydrophobicContact CG-CB 4.05Å; Q460-V487 HydrophobicContact CG-CG1 4.13Å; Q460-V487 WeakPolarHBondContact CG-O 3.45Å; Q460-V487 PolarHBondContact NE2-O 3.12Å; Q460-Y489 HydrophobicContact CB-CD1 4.44Å; Q460-Y489 HydrophobicContact CB-CE1 4.32Å
461	I	97.4	Very high	93.6	Very high	88 Å²	88	49.9 Å²	49.9	45%	0.451	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-44.4	174.3	-68.1	168.3	0	0	0	110.6	T457 V458 G463 I464 M465	T457-I461 HydrophobicContact CG2-CD1 3.85Å; T457-I461 HydrophobicContact CG2-CG1 4.43Å; T457-I461 WeakPolarHBondContact O-CB 3.43Å; T457-I461 VanDerWaalsContact O-CG1 3.29Å; T457-I461 WeakPolarHBondContact O-CG1 3.28Å; T457-I461 PolarHBondContact O-N 3.07Å; V458-I461 PolarHBondContact O-N 3.4Å; I461-G463 VanDerWaalsContact C-N 3.32Å; I461-G463 PolarHBondContact O-N 3Å; I461-I464 PolarHBondContact O-N 2.7Å; I461-I464 VanDerWaalsContact O-N 3.11Å; I461-M465 HydrophobicContact CG2-CG 4.48Å; I461-M465 HydrophobicContact CG2-SD 4.12Å; I461-M465 WeakPolarHBondContact O-CG 3.34Å; I461-M465 PolarHBondContact O-N 2.88Å
462	A	98	Very high	94.6	Very high	18 Å²	18	49.8 Å²	49.8	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-41.6	177.2	0	0	0	0	0	112	V458 S459 M465 A466 I522 T526	V458-A462 WeakPolarHBondContact O-CB 3.35Å; V458-A462 PolarHBondContact O-N 2.7Å; S459-A462 PolarHBondContact O-N 3.32Å; A462-M465 PolarHBondContact O-N 2.98Å; A462-A466 VanDerWaalsContact O-CB 3.25Å; A462-A466 WeakPolarHBondContact O-CB 3.36Å; A462-A466 PolarHBondContact O-N 2.77Å; A462-I522 HydrophobicContact CB-CG2 4.21Å; A462-T526 HydrophobicContact CB-CG2 3.96Å; A462-T526 VanDerWaalsContact CB-OG1 3.25Å; A462-T526 WeakPolarHBondContact CB-OG1 3.17Å
463	G	98.3	Very high	95.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-40.4	172.6	0	0	0	0	0	113.7	S459 Q460 I461 A466 A467 A519	S459-G463 PolarHBondContact O-N 2.99Å; Q460-G463 PolarHBondContact O-N 2.91Å; I461-G463 VanDerWaalsContact C-N 3.32Å; I461-G463 PolarHBondContact O-N 3Å; G463-A466 PolarHBondContact O-N 3.05Å; G463-A467 PolarHBondContact O-N 2.94Å; G463-A519 VanDerWaalsContact CA-O 3.24Å; G463-A519 WeakPolarHBondContact CA-O 3.33Å; G463-A519 WeakPolarHBondContact O-CA 3.42Å; G463-A519 WeakPolarHBondContact O-CB 3.32Å
464	I	98.1	Very high	95.7	Very high	48 Å²	48	50.7 Å²	50.7	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-37.7	176.2	-66.7	164.7	0	0	0	111.5	Q460 I461 K468 V485 V487	Q460-I464 WeakPolarHBondContact O-CG1 3.38Å; Q460-I464 PolarHBondContact O-N 2.82Å; Q460-I464 VanDerWaalsContact O-N 3.09Å; I461-I464 PolarHBondContact O-N 2.7Å; I461-I464 VanDerWaalsContact O-N 3.11Å; I464-K468 WeakPolarHBondContact O-CG 3.3Å; I464-V485 HydrophobicContact CB-CG1 4.28Å; I464-V485 HydrophobicContact CG1-CG1 4.15Å; I464-V485 HydrophobicContact CG2-CB 4.46Å; I464-V485 HydrophobicContact CG2-CG1 4.18Å; I464-V487 HydrophobicContact CG1-CB 4.04Å; I464-V487 HydrophobicContact CG1-CG2 3.76Å
465	M	98	Very high	95.8	Very high	119 Å²	119	53.4 Å²	53.4	59%	0.586	28%	0.283	S	S	*	.	H	α-helix	trans	-68.5	-40.1	173.5	-70	178.6	65.2	0	0	111.7	I461 A462 K468 K469	I461-M465 HydrophobicContact CG2-CG 4.48Å; I461-M465 HydrophobicContact CG2-SD 4.12Å; I461-M465 WeakPolarHBondContact O-CG 3.34Å; I461-M465 PolarHBondContact O-N 2.88Å; A462-M465 PolarHBondContact O-N 2.98Å; M465-K468 PolarHBondContact O-N 3.1Å; M465-K469 PolarHBondContact O-N 3.03Å; M465-K469 VanDerWaalsContact O-N 3.16Å
466	A	97.8	Very high	95.6	Very high	7 Å²	7	55.9 Å²	55.9	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-43	179.6	0	0	0	0	0	112.9	A462 G463 K468 K469 T470 T518 I522	A462-A466 VanDerWaalsContact O-CB 3.25Å; A462-A466 WeakPolarHBondContact O-CB 3.36Å; A462-A466 PolarHBondContact O-N 2.77Å; G463-A466 PolarHBondContact O-N 3.05Å; A466-K468 VanDerWaalsContact C-N 3.27Å; A466-K468 PolarHBondContact O-N 3.3Å; A466-K469 CarbonylContact O-C 3.59Å; A466-K469 WeakPolarHBondContact O-CA 3.38Å; A466-K469 PolarHBondContact O-N 3.29Å; A466-T470 PolarHBondContact O-N 2.86Å; A466-T470 PolarHBondContact O-OG1 2.87Å; A466-T518 HydrophobicContact CB-CG2 4.19Å; A466-I522 HydrophobicContact CB-CB 3.46Å; A466-I522 VanDerWaalsContact CB-CB 3.46Å; A466-I522 HydrophobicContact CB-CG1 3.54Å; A466-I522 HydrophobicContact CB-CG2 3.78Å
467	A	97.9	Very high	95.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-53.2	-45.7	174.4	0	0	0	0	0	111.9	G463 K469 T470 L482 V485 V504 A519	G463-A467 PolarHBondContact O-N 2.94Å; A467-K469 PolarHBondContact O-N 3.4Å; A467-T470 PolarHBondContact O-N 3.03Å; A467-T470 PolarHBondContact O-OG1 3.02Å; A467-L482 HydrophobicContact CB-CD1 4.17Å; A467-V485 HydrophobicContact CB-CB 4.44Å; A467-V485 HydrophobicContact CB-CG1 3.56Å; A467-V485 HydrophobicContact CB-CG2 3.95Å; A467-V504 HydrophobicContact CB-CG2 4.43Å; A467-A519 HydrophobicContact CB-CB 4.13Å
468	K	96.8	Very high	95.3	Very high	136 Å²	136	55.5 Å²	55.5	59%	0.591	29%	0.292	S	S	*	.	H	α-helix	trans	-69.8	-16.7	177.5	-60.6	171.8	-175.9	179	0	113.4	I464 M465 A466	I464-K468 WeakPolarHBondContact O-CG 3.3Å; M465-K468 PolarHBondContact O-N 3.1Å; A466-K468 VanDerWaalsContact C-N 3.27Å; A466-K468 PolarHBondContact O-N 3.3Å
469	K	96.8	Very high	95.2	Very high	112 Å²	112	59 Å²	59	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-103	-4.8	-179.3	-80.6	-67.3	-169.7	-175.5	0	114.4	M465 A466 A467 P471 D472 L473	M465-K469 PolarHBondContact O-N 3.03Å; M465-K469 VanDerWaalsContact O-N 3.16Å; A466-K469 CarbonylContact O-C 3.59Å; A466-K469 WeakPolarHBondContact O-CA 3.38Å; A466-K469 PolarHBondContact O-N 3.29Å; A467-K469 PolarHBondContact O-N 3.4Å; K469-P471 VanDerWaalsContact C-CD 3.47Å; K469-D472 HydrophobicContact CD-CB 4.3Å; K469-D472 WeakPolarHBondContact CD-OD2 3.29Å; K469-D472 WeakPolarHBondContact CE-OD2 3.47Å; K469-D472 IonicContact NZ-OD2 2.6Å; K469-D472 PolarHBondContact NZ-OD2 3.02Å; K469-D472 WeakPolarHBondContact O-CA 3.41Å; K469-D472 WeakPolarHBondContact O-CB 3.34Å; K469-D472 PolarHBondContact O-N 3.19Å; K469-L473 HydrophobicContact CB-CD1 4.2Å; K469-L473 PolarHBondContact O-N 3.26Å
470	T	97.3	Very high	95.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-43.3	-47.7	177.8	-49.6	0	0	0	0	115.6	A466 A467 D472 L473 I474 M514 E515	A466-T470 PolarHBondContact O-N 2.86Å; A466-T470 PolarHBondContact O-OG1 2.87Å; A467-T470 PolarHBondContact O-N 3.03Å; A467-T470 PolarHBondContact O-OG1 3.02Å; T470-D472 VanDerWaalsContact C-N 3.28Å; T470-D472 PolarHBondContact O-N 2.97Å; T470-L473 PolarHBondContact O-N 2.93Å; T470-L473 VanDerWaalsContact O-N 3.11Å; T470-I474 HydrophobicContact CG2-CB 4.49Å; T470-I474 HydrophobicContact CG2-CG1 3.96Å; T470-I474 PolarHBondContact O-N 3Å; T470-M514 HydrophobicContact CG2-CB 3.9Å; T470-E515 HydrophobicContact CG2-CG 4.04Å; T470-E515 WeakPolarHBondContact OG1-CA 3.43Å
471	P	95.2	Very high	94.9	Very high	34 Å²	34	63.3 Å²	63.3	22%	0.221	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-22.8	178.1	27.3	-37.3	0	0	0	114.6	K469 L473 N479	K469-P471 VanDerWaalsContact C-CD 3.47Å; P471-L473 VanDerWaalsContact C-N 3.34Å; P471-N479 HydrophobicContact CB-CB 4.35Å; P471-N479 HydrophobicContact CG-CB 4.31Å
472	D	94.8	Very high	94.9	Very high	112 Å²	112	61 Å²	61	60%	0.599	33%	0.327	S	S	*	.	H	α-helix	trans	-77.5	-24.3	173.7	-62.3	2.7	0	0	0	111.4	K469 T470	K469-D472 HydrophobicContact CD-CB 4.3Å; K469-D472 WeakPolarHBondContact CD-OD2 3.29Å; K469-D472 WeakPolarHBondContact CE-OD2 3.47Å; K469-D472 IonicContact NZ-OD2 2.6Å; K469-D472 PolarHBondContact NZ-OD2 3.02Å; K469-D472 WeakPolarHBondContact O-CA 3.41Å; K469-D472 WeakPolarHBondContact O-CB 3.34Å; K469-D472 PolarHBondContact O-N 3.19Å; T470-D472 VanDerWaalsContact C-N 3.28Å; T470-D472 PolarHBondContact O-N 2.97Å
473	L	92	Very high	94.9	Very high	98 Å²	98	65 Å²	65	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-102.4	-34.4	-171.4	-63.3	174.4	0	0	0	113.5	K469 T470 P471 T518	K469-L473 HydrophobicContact CB-CD1 4.2Å; K469-L473 PolarHBondContact O-N 3.26Å; T470-L473 PolarHBondContact O-N 2.93Å; T470-L473 VanDerWaalsContact O-N 3.11Å; P471-L473 VanDerWaalsContact C-N 3.34Å; L473-T518 HydrophobicContact CD1-CG2 4.06Å
474	I	91.6	Very high	94.8	Very high	55 Å²	55	68.5 Å²	68.5	28%	0.282	37%	0.369	S	S	.	.	S	Bend	trans	-108.9	108.6	-175.3	-52.9	-59.1	0	0	0	109.6	T470 L476 C477 M514	T470-I474 HydrophobicContact CG2-CB 4.49Å; T470-I474 HydrophobicContact CG2-CG1 3.96Å; T470-I474 PolarHBondContact O-N 3Å; I474-L476 PolarHBondContact O-N 2.86Å; I474-C477 HydrophobicContact CB-CB 4.07Å; I474-C477 HydrophobicContact CG2-CB 4.26Å; I474-C477 WeakPolarHBondContact CG2-SG 3.04Å; I474-C477 WeakPolarHBondContact O-CB 3.34Å; I474-C477 PolarHBondContact O-N 3.38Å; I474-C477 VanDerWaalsContact O-N 3.13Å; I474-M514 HydrophobicContact CG1-CE 4.45Å; I474-M514 HydrophobicContact CG2-CE 4.26Å
475	P	89.1	Confident	94.8	Very high	113 Å²	113	67.2 Å²	67.2	73%	0.734	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	134.9	178.8	-26.8	35	0	0	0	112.4	C477	P475-C477 PolarHBondContact O-N 3Å
476	L	89.8	Confident	94.8	Very high	55 Å²	55	66.6 Å²	66.6	29%	0.288	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	2.3	-179.4	-45.7	176.1	0	0	0	115.9	A414 M416 I474	A414-L476 HydrophobicContact CB-CD1 3.85Å; M416-L476 HydrophobicContact CB-CB 4.49Å; M416-L476 HydrophobicContact CB-CD2 4.22Å; I474-L476 PolarHBondContact O-N 2.86Å
477	C	90.8	Very high	94.9	Very high	22 Å²	22	66.4 Å²	66.4	15%	0.149	36%	0.355	C	S	.	.			trans	-60.8	147.2	160.6	-88.6	0	0	0	0	110.5	M416 I474 P475	M416-C477 WeakPolarHBondContact CE-O 3.42Å; I474-C477 HydrophobicContact CB-CB 4.07Å; I474-C477 HydrophobicContact CG2-CB 4.26Å; I474-C477 WeakPolarHBondContact CG2-SG 3.04Å; I474-C477 WeakPolarHBondContact O-CB 3.34Å; I474-C477 PolarHBondContact O-N 3.38Å; I474-C477 VanDerWaalsContact O-N 3.13Å; P475-C477 PolarHBondContact O-N 3Å
478	H	91.3	Very high	94.9	Very high	33 Å²	33	69.8 Å²	69.8	15%	0.153	37%	0.367	C	S	.	.			trans	-82.1	151.4	175.7	-67.4	32.2	0	0	0	109.5	M416 V417 V419 V480 T510	M416-H478 WeakPolarHBondContact CG-CE1 3.47Å; V417-H478 PolarHBondContact O-CE1 2.72Å; V417-H478 PolarHBondContact O-NE2 3Å; V419-H478 WeakPolarHBondContact CG1-NE2 3.44Å; V419-H478 WeakPolarHBondContact CG2-NE2 3.15Å; H478-V480 HydrophobicContact CB-CG2 4.12Å; H478-V480 PolarHBondContact O-N 3.48Å; H478-V480 VanDerWaalsContact O-N 3.1Å; H478-T510 HydrophobicContact CB-CG2 4.08Å
479	N	93.9	Very high	94.9	Very high	138 Å²	138	66.7 Å²	66.7	74%	0.738	35%	0.353	S	S	*	.			trans	-75.9	97.4	164.5	-171.6	-0.7	0	0	0	108.7	P471	P471-N479 HydrophobicContact CB-CB 4.35Å; P471-N479 HydrophobicContact CG-CB 4.31Å
480	V	94.1	Very high	94.9	Very high	17 Å²	17	65 Å²	65	10%	0.103	35%	0.351	C	S	.	.			trans	-92.3	123.8	-178.5	-172.4	0	0	0	0	110	H478 L482 C506 T510 V512	H478-V480 HydrophobicContact CB-CG2 4.12Å; H478-V480 PolarHBondContact O-N 3.48Å; H478-V480 VanDerWaalsContact O-N 3.1Å; V480-L482 HydrophobicContact CB-CD2 4.07Å; V480-L482 HydrophobicContact CG1-CD2 4.03Å; V480-L482 WeakPolarHBondContact O-CG 3.36Å; V480-L482 PolarHBondContact O-N 3.38Å; V480-C506 HydrophobicContact CG1-CB 3.77Å; V480-T510 HydrophobicContact CG2-CG2 3.63Å; V480-V512 HydrophobicContact CB-CG1 4.43Å; V480-V512 HydrophobicContact CG1-CG1 3.77Å
481	T	95	Very high	94.7	Very high	123 Å²	123	67.5 Å²	67.5	76%	0.755	37%	0.367	S	S	*	.			trans	-68	96.3	173.8	-47.9	0	0	0	0	110.4	T483 C506	T481-T483 PolarHBondContact O-N 3.4Å; T481-C506 WeakPolarHBondContact O-CB 3.47Å
482	L	96.9	Very high	94.6	Very high	41 Å²	41	68 Å²	68	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.4	-177.6	-52.9	-175	0	0	0	110.9	A467 V480 V485 V504 V512 E515	A467-L482 HydrophobicContact CB-CD1 4.17Å; V480-L482 HydrophobicContact CB-CD2 4.07Å; V480-L482 HydrophobicContact CG1-CD2 4.03Å; V480-L482 WeakPolarHBondContact O-CG 3.36Å; V480-L482 PolarHBondContact O-N 3.38Å; L482-V485 HydrophobicContact CB-CG2 4.05Å; L482-V485 HydrophobicContact CD1-CG2 3.54Å; L482-V485 HydrophobicContact CG-CG2 4.42Å; L482-V504 HydrophobicContact CD1-CG1 4.07Å; L482-V504 HydrophobicContact CD2-CG1 3.82Å; L482-V504 HydrophobicContact CG-CG1 4.42Å; L482-V512 HydrophobicContact CD2-CG1 3.71Å; L482-E515 HydrophobicContact CD1-CB 4.42Å; L482-E515 HydrophobicContact CD1-CG 4.25Å; L482-E515 HydrophobicContact CD2-CG 4.13Å
483	T	96.5	Very high	94.4	Very high	100 Å²	100	67.9 Å²	67.9	61%	0.613	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	-31.9	178.1	-47.5	0	0	0	0	111.4	T481 Q505 C506	T481-T483 PolarHBondContact O-N 3.4Å; T483-Q505 PolarHBondContact N-O 2.82Å; T483-C506 WeakPolarHBondContact OG1-CA 3.48Å
484	N	97.8	Very high	94.2	Very high	75 Å²	75	71.7 Å²	71.7	40%	0.401	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.8	172.4	-164.6	-1.4	0	0	0	110.4	Q505	N484-Q505 HydrophobicContact CB-CB 4.08Å; N484-Q505 HydrophobicContact CB-CG 4.16Å; N484-Q505 PolarHBondContact N-O 3.44Å; N484-Q505 PolarHBondContact O-N 2.89Å
485	V	98.3	Very high	94.3	Very high	21 Å²	21	74.5 Å²	74.5	13%	0.127	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	107.1	170.4	178.8	0	0	0	0	107	I464 A467 L482 V504	I464-V485 HydrophobicContact CB-CG1 4.28Å; I464-V485 HydrophobicContact CG1-CG1 4.15Å; I464-V485 HydrophobicContact CG2-CB 4.46Å; I464-V485 HydrophobicContact CG2-CG1 4.18Å; A467-V485 HydrophobicContact CB-CB 4.44Å; A467-V485 HydrophobicContact CB-CG1 3.56Å; A467-V485 HydrophobicContact CB-CG2 3.95Å; L482-V485 HydrophobicContact CB-CG2 4.05Å; L482-V485 HydrophobicContact CD1-CG2 3.54Å; L482-V485 HydrophobicContact CG-CG2 4.42Å; V485-V504 HydrophobicContact CG1-CG2 4.35Å; V485-V504 HydrophobicContact CG2-CG1 4.28Å
486	K	98.3	Very high	94.6	Very high	106 Å²	106	69.5 Å²	69.5	46%	0.461	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.7	174.4	-171.6	-169.3	176.1	-171.2	0	108.4	W488 S502 E503	K486-W488 HydrophobicContact CB-CE3 4.47Å; K486-W488 HydrophobicContact CB-CZ3 4.38Å; K486-W488 HydrophobicContact CD-CE3 3.86Å; K486-W488 HydrophobicContact CD-CZ3 3.91Å; K486-W488 HydrophobicContact CG-CE3 3.86Å; K486-W488 HydrophobicContact CG-CZ3 4.14Å; K486-S502 CarbonylContact O-C 3.6Å; K486-S502 VanDerWaalsContact O-CA 3.24Å; K486-S502 WeakPolarHBondContact O-CA 3.36Å; K486-E503 PolarHBondContact N-O 3.25Å; K486-E503 PolarHBondContact O-N 3.29Å
487	V	98.5	Very high	94.9	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.5	166.7	-179	0	0	0	0	107.4	Q460 I464 F500 N501 A519 A523	Q460-V487 HydrophobicContact CG-CB 4.05Å; Q460-V487 HydrophobicContact CG-CG1 4.13Å; Q460-V487 WeakPolarHBondContact CG-O 3.45Å; Q460-V487 PolarHBondContact NE2-O 3.12Å; I464-V487 HydrophobicContact CG1-CB 4.04Å; I464-V487 HydrophobicContact CG1-CG2 3.76Å; V487-F500 HydrophobicContact CG1-CD1 4.47Å; V487-N501 WeakPolarHBondContact CA-O 3.24Å; V487-A519 HydrophobicContact CG2-CB 4.04Å; V487-A523 HydrophobicContact CG1-CB 4.49Å
488	W	98.1	Very high	95.2	Very high	71 Å²	71	66.2 Å²	66.2	27%	0.269	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	171.1	172.1	68.4	99.1	0	0	0	110.1	K486 F500 N501 E503	K486-W488 HydrophobicContact CB-CE3 4.47Å; K486-W488 HydrophobicContact CB-CZ3 4.38Å; K486-W488 HydrophobicContact CD-CE3 3.86Å; K486-W488 HydrophobicContact CD-CZ3 3.91Å; K486-W488 HydrophobicContact CG-CE3 3.86Å; K486-W488 HydrophobicContact CG-CZ3 4.14Å; W488-F500 WeakPolarHBondContact O-CA 3.38Å; W488-N501 HydrophobicContact CD2-CB 3.92Å; W488-N501 VanDerWaalsContact CE2-CB 3.45Å; W488-N501 HydrophobicContact CE3-CB 4.43Å; W488-N501 HydrophobicContact CG-CB 4.42Å; W488-N501 HydrophobicContact CH2-CB 4.18Å; W488-N501 HydrophobicContact CZ2-CB 3.61Å; W488-N501 PolarHBondContact N-O 3.24Å; W488-N501 PolarHBondContact O-N 3.2Å; W488-N501 VanDerWaalsContact O-O 3.06Å; W488-E503 HydrophobicContact CH2-CB 3.95Å; W488-E503 HydrophobicContact CZ3-CB 3.69Å
489	Y	97.1	Very high	95.5	Very high	72 Å²	72	67.3 Å²	67.3	28%	0.282	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159.8	-178.7	51.2	-96.6	0	0	0	111	L456 Q460 V491 I499 F500	L456-Y489 HydrophobicContact CB-CD1 4.26Å; L456-Y489 HydrophobicContact CB-CD2 4.49Å; L456-Y489 HydrophobicContact CB-CE1 3.74Å; L456-Y489 HydrophobicContact CB-CE2 4Å; L456-Y489 HydrophobicContact CD1-CD2 3.93Å; L456-Y489 HydrophobicContact CD1-CE2 3.54Å; L456-Y489 HydrophobicContact CG-CE2 4.34Å; Q460-Y489 HydrophobicContact CB-CD1 4.44Å; Q460-Y489 HydrophobicContact CB-CE1 4.32Å; Y489-V491 HydrophobicContact CD2-CG2 4.46Å; Y489-I499 CarbonylContact C-O 3.49Å; Y489-I499 VanDerWaalsContact CA-O 3.29Å; Y489-I499 WeakPolarHBondContact CA-O 3.28Å; Y489-F500 HydrophobicContact CD1-CE1 4.11Å; Y489-F500 HydrophobicContact CG-CE1 4.37Å
490	T	95.9	Very high	95.7	Very high	75 Å²	75	60.7 Å²	60.7	46%	0.46	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.8	163.7	50.8	0	0	0	0	108.5	I499	T490-I499 PolarHBondContact N-O 2.88Å; T490-I499 PolarHBondContact O-N 2.9Å
491	V	94.5	Very high	95.9	Very high	53 Å²	53	60.5 Å²	60.5	32%	0.321	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.3	174.8	-172.4	0	0	0	0	108.3	I442 L456 Y489 E493 V498	I442-V491 HydrophobicContact CD1-CG1 3.89Å; I442-V491 HydrophobicContact CG1-CG1 3.84Å; L456-V491 HydrophobicContact CD1-CG2 3.9Å; Y489-V491 HydrophobicContact CD2-CG2 4.46Å; V491-E493 HydrophobicContact CG1-CG 4.06Å; V491-V498 HydrophobicContact CG1-CG2 4.4Å; V491-V498 HydrophobicContact CG2-CG2 4.26Å
492	D	92.7	Very high	96.1	Very high	44 Å²	44	54.7 Å²	54.7	24%	0.235	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	93	172.5	-178.1	-28.6	0	0	0	106.8	E494 K495 A496 V497	D492-E494 VanDerWaalsContact C-N 3.27Å; D492-E494 PolarHBondContact O-N 3.12Å; D492-E494 PolarHBondContact OD1-N 2.8Å; D492-K495 VanDerWaalsContact CG-NZ 3.32Å; D492-K495 PolarHBondContact O-N 3.22Å; D492-K495 PolarHBondContact OD1-N 3.05Å; D492-K495 IonicContact OD1-NZ 3.85Å; D492-K495 PolarHBondContact OD1-NZ 3.32Å; D492-K495 VanDerWaalsContact OD1-NZ 3.16Å; D492-K495 WeakPolarHBondContact OD2-CD 3.4Å; D492-K495 WeakPolarHBondContact OD2-CE 3.24Å; D492-K495 IonicContact OD2-NZ 3.25Å; D492-K495 PolarHBondContact OD2-NZ 3.43Å; D492-A496 PolarHBondContact O-N 3Å; D492-V497 HydrophobicContact CB-CG1 3.78Å; D492-V497 PolarHBondContact N-O 2.91Å; D492-V497 PolarHBondContact O-N 2.79Å
493	E	89.6	Confident	96.1	Very high	110 Å²	110	54.8 Å²	54.8	51%	0.514	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.2	-177	-68.7	-172.9	-156.4	0	0	112.5	I442 V491 K495 A496	I442-E493 HydrophobicContact CG1-CG 4.32Å; I442-E493 HydrophobicContact CG2-CB 4.38Å; I442-E493 HydrophobicContact CG2-CG 4.42Å; V491-E493 HydrophobicContact CG1-CG 4.06Å; E493-K495 VanDerWaalsContact C-N 3.31Å; E493-K495 PolarHBondContact O-N 2.92Å; E493-A496 PolarHBondContact O-N 3.27Å
494	E	89.1	Confident	96.2	Very high	178 Å²	178	50 Å²	50	83%	0.832	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-28.7	-179.1	-167.4	-177.9	-122.3	0	0	112.2	D492	D492-E494 VanDerWaalsContact C-N 3.27Å; D492-E494 PolarHBondContact O-N 3.12Å; D492-E494 PolarHBondContact OD1-N 2.8Å
495	K	92.9	Very high	96.2	Very high	115 Å²	115	47.8 Å²	47.8	50%	0.5	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.2	173.9	-62.9	171.7	-150.6	64.8	0	113.4	D492 E493 V497	D492-K495 VanDerWaalsContact CG-NZ 3.32Å; D492-K495 PolarHBondContact O-N 3.22Å; D492-K495 PolarHBondContact OD1-N 3.05Å; D492-K495 IonicContact OD1-NZ 3.85Å; D492-K495 PolarHBondContact OD1-NZ 3.32Å; D492-K495 VanDerWaalsContact OD1-NZ 3.16Å; D492-K495 WeakPolarHBondContact OD2-CD 3.4Å; D492-K495 WeakPolarHBondContact OD2-CE 3.24Å; D492-K495 IonicContact OD2-NZ 3.25Å; D492-K495 PolarHBondContact OD2-NZ 3.43Å; E493-K495 VanDerWaalsContact C-N 3.31Å; E493-K495 PolarHBondContact O-N 2.92Å; K495-V497 VanDerWaalsContact C-N 3.27Å; K495-V497 HydrophobicContact CB-CG1 3.94Å; K495-V497 PolarHBondContact O-N 3.34Å
496	A	94.8	Very high	96.2	Very high	7 Å²	7	46.9 Å²	46.9	6%	0.058	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	45	46.1	-175.4	0	0	0	0	0	113.9	L437 I442 D492 E493	L437-A496 PolarHBondContact N-O 3.24Å; L437-A496 VanDerWaalsContact O-CB 3.27Å; L437-A496 WeakPolarHBondContact O-CB 3.34Å; I442-A496 HydrophobicContact CB-CB 4.33Å; I442-A496 HydrophobicContact CG2-CB 4.25Å; D492-A496 PolarHBondContact O-N 3Å; E493-A496 PolarHBondContact O-N 3.27Å
497	V	96.3	Very high	96	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.4	-174.7	66.7	0	0	0	0	112.9	V435 D492 K495 I499	V435-V497 WeakPolarHBondContact O-CA 3.47Å; V435-V497 WeakPolarHBondContact O-CG2 3.08Å; D492-V497 HydrophobicContact CB-CG1 3.78Å; D492-V497 PolarHBondContact N-O 2.91Å; D492-V497 PolarHBondContact O-N 2.79Å; K495-V497 VanDerWaalsContact C-N 3.27Å; K495-V497 HydrophobicContact CB-CG1 3.94Å; K495-V497 PolarHBondContact O-N 3.34Å; V497-I499 HydrophobicContact CG1-CG1 4.42Å; V497-I499 HydrophobicContact CG2-CG1 4.25Å
498	V	96.9	Very high	95.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122	167.5	-178.4	0	0	0	0	108.6	G434 V435 L437 I442 L456 V491 F500 L527	G434-V498 CarbonylContact C-O 3.6Å; V435-V498 PolarHBondContact N-O 3.36Å; V435-V498 PolarHBondContact O-N 3.27Å; L437-V498 HydrophobicContact CD1-CG2 3.99Å; I442-V498 HydrophobicContact CD1-CG2 3.76Å; L456-V498 HydrophobicContact CD2-CG1 3.95Å; L456-V498 HydrophobicContact CD2-CG2 4.29Å; V491-V498 HydrophobicContact CG1-CG2 4.4Å; V491-V498 HydrophobicContact CG2-CG2 4.26Å; V498-F500 HydrophobicContact CG1-CD2 4.32Å; V498-F500 HydrophobicContact CG1-CE2 3.9Å; V498-F500 HydrophobicContact CG1-CZ 4.05Å; V498-L527 HydrophobicContact CB-CD2 3.74Å; V498-L527 HydrophobicContact CG1-CD2 3.97Å; V498-L527 HydrophobicContact CG2-CD2 3.83Å
499	I	98	Very high	95.4	Very high	56 Å²	56	46.3 Å²	46.3	29%	0.287	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.4	178.8	-52	176.6	0	0	0	109	A433 Y489 T490 V497 N501	A433-I499 CarbonylContact O-C 3.58Å; A433-I499 WeakPolarHBondContact O-CA 3.3Å; Y489-I499 CarbonylContact C-O 3.49Å; Y489-I499 VanDerWaalsContact CA-O 3.29Å; Y489-I499 WeakPolarHBondContact CA-O 3.28Å; T490-I499 PolarHBondContact N-O 2.88Å; T490-I499 PolarHBondContact O-N 2.9Å; V497-I499 HydrophobicContact CG1-CG1 4.42Å; V497-I499 HydrophobicContact CG2-CG1 4.25Å; I499-N501 PolarHBondContact O-ND2 2.99Å
500	F	98.5	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.8	169.6	-69.5	-78.7	0	0	0	110.5	T432 A433 V435 L456 V487 W488 Y489 V498 V520 A523 A524 L527	T432-F500 CarbonylContact C-O 3.55Å; T432-F500 VanDerWaalsContact CA-O 3.25Å; T432-F500 WeakPolarHBondContact CA-O 3.46Å; T432-F500 PolarHBondContact OG1-O 2.92Å; T432-F500 VanDerWaalsContact OG1-O 3.05Å; A433-F500 PolarHBondContact N-O 3.4Å; A433-F500 PolarHBondContact O-N 2.99Å; V435-F500 HydrophobicContact CG2-CD2 4.14Å; V435-F500 HydrophobicContact CG2-CE2 4.07Å; L456-F500 HydrophobicContact CD2-CZ 4.48Å; V487-F500 HydrophobicContact CG1-CD1 4.47Å; W488-F500 WeakPolarHBondContact O-CA 3.38Å; Y489-F500 HydrophobicContact CD1-CE1 4.11Å; Y489-F500 HydrophobicContact CG-CE1 4.37Å; V498-F500 HydrophobicContact CG1-CD2 4.32Å; V498-F500 HydrophobicContact CG1-CE2 3.9Å; V498-F500 HydrophobicContact CG1-CZ 4.05Å; F500-V520 HydrophobicContact CB-CB 4.5Å; F500-V520 HydrophobicContact CB-CG1 4.4Å; F500-A523 HydrophobicContact CB-CB 4.45Å; F500-A523 HydrophobicContact CD1-CB 3.74Å; F500-A523 HydrophobicContact CD2-CB 4.27Å; F500-A523 HydrophobicContact CE1-CB 4.01Å; F500-A523 HydrophobicContact CE2-CB 4.49Å; F500-A523 HydrophobicContact CG-CB 3.89Å; F500-A523 HydrophobicContact CZ-CB 4.37Å; F500-A524 HydrophobicContact CD2-CB 4.45Å; F500-L527 HydrophobicContact CE2-CB 4.01Å; F500-L527 HydrophobicContact CE2-CD2 3.71Å; F500-L527 HydrophobicContact CZ-CB 4.18Å; F500-L527 HydrophobicContact CZ-CD2 4.01Å
501	N	98.6	Very high	95	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	170.9	-67.8	-108.7	0	0	0	108.1	A431 T432 V487 W488 I499 K546	A431-N501 CarbonylContact O-C 3.54Å; A431-N501 WeakPolarHBondContact O-CA 3.45Å; T432-N501 PolarHBondContact OG1-OD1 3.28Å; V487-N501 WeakPolarHBondContact CA-O 3.24Å; W488-N501 HydrophobicContact CD2-CB 3.92Å; W488-N501 VanDerWaalsContact CE2-CB 3.45Å; W488-N501 HydrophobicContact CE3-CB 4.43Å; W488-N501 HydrophobicContact CG-CB 4.42Å; W488-N501 HydrophobicContact CH2-CB 4.18Å; W488-N501 HydrophobicContact CZ2-CB 3.61Å; W488-N501 PolarHBondContact N-O 3.24Å; W488-N501 PolarHBondContact O-N 3.2Å; W488-N501 VanDerWaalsContact O-O 3.06Å; I499-N501 PolarHBondContact O-ND2 2.99Å; N501-K546 PolarHBondContact OD1-NZ 2.75Å
502	S	98.6	Very high	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.1	171.3	71.5	0	0	0	0	111.3	I430 A431 K486 A516	I430-S502 CarbonylContact C-O 3.54Å; I430-S502 VanDerWaalsContact CA-O 3.24Å; I430-S502 WeakPolarHBondContact CA-O 3.49Å; A431-S502 PolarHBondContact N-O 3.25Å; A431-S502 PolarHBondContact O-N 2.74Å; K486-S502 CarbonylContact O-C 3.6Å; K486-S502 VanDerWaalsContact O-CA 3.24Å; K486-S502 WeakPolarHBondContact O-CA 3.36Å; S502-A516 WeakPolarHBondContact OG-CA 3.26Å; S502-A516 PolarHBondContact OG-O 3.3Å
503	E	98.5	Very high	95.3	Very high	44 Å²	44	39.4 Å²	39.4	21%	0.206	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.3	167.5	-176.2	-166.5	133.1	0	0	108.2	V428 A429 I430 K486 W488 Q505	V428-E503 HydrophobicContact CG1-CG 3.78Å; A429-E503 WeakPolarHBondContact O-CA 3.43Å; I430-E503 HydrophobicContact CG1-CB 4.32Å; I430-E503 HydrophobicContact CG1-CG 4.11Å; K486-E503 PolarHBondContact N-O 3.25Å; K486-E503 PolarHBondContact O-N 3.29Å; W488-E503 HydrophobicContact CH2-CB 3.95Å; W488-E503 HydrophobicContact CZ3-CB 3.69Å; E503-Q505 PolarHBondContact OE1-NE2 3.2Å
504	V	98.3	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.5	176.5	-178.2	0	0	0	0	109	V428 A429 A467 L482 V485 V512 E515 A516	V428-V504 WeakPolarHBondContact CA-O 3.26Å; A429-V504 PolarHBondContact N-O 2.84Å; A429-V504 PolarHBondContact O-N 3.1Å; A467-V504 HydrophobicContact CB-CG2 4.43Å; L482-V504 HydrophobicContact CD1-CG1 4.07Å; L482-V504 HydrophobicContact CD2-CG1 3.82Å; L482-V504 HydrophobicContact CG-CG1 4.42Å; V485-V504 HydrophobicContact CG1-CG2 4.35Å; V485-V504 HydrophobicContact CG2-CG1 4.28Å; V504-V512 HydrophobicContact CB-CB 4.33Å; V504-V512 HydrophobicContact CB-CG2 4.24Å; V504-V512 HydrophobicContact CG1-CB 3.81Å; V504-V512 HydrophobicContact CG1-CG1 4.2Å; V504-V512 HydrophobicContact CG1-CG2 4.05Å; V504-V512 WeakPolarHBondContact O-CG2 3.26Å; V504-E515 HydrophobicContact CG1-CB 3.98Å; V504-E515 HydrophobicContact CG2-CB 4.38Å; V504-A516 HydrophobicContact CB-CB 4.34Å; V504-A516 HydrophobicContact CG2-CB 3.99Å
505	Q	97.8	Very high	96	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.131	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.1	179.1	-50.9	-169.7	24	0	0	112.2	R426 R427 V428 T483 N484 E503	R426-Q505 VanDerWaalsContact NH2-CD 3.35Å; R427-Q505 VanDerWaalsContact O-CA 3.28Å; R427-Q505 WeakPolarHBondContact O-CA 3.49Å; V428-Q505 HydrophobicContact CG1-CG 4.22Å; V428-Q505 HydrophobicContact CG2-CG 4.06Å; T483-Q505 PolarHBondContact N-O 2.82Å; N484-Q505 HydrophobicContact CB-CB 4.08Å; N484-Q505 HydrophobicContact CB-CG 4.16Å; N484-Q505 PolarHBondContact N-O 3.44Å; N484-Q505 PolarHBondContact O-N 2.89Å; E503-Q505 PolarHBondContact OE1-NE2 3.2Å
506	C	96.8	Very high	96.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	173.7	165.2	80.1	0	0	0	0	111.7	R426 R427 V480 T481 T483 V512	R426-C506 CarbonylContact C-O 3.58Å; R426-C506 WeakPolarHBondContact CA-O 3.35Å; R427-C506 PolarHBondContact N-O 2.69Å; R427-C506 PolarHBondContact O-N 2.65Å; R427-C506 VanDerWaalsContact O-N 3.11Å; V480-C506 HydrophobicContact CG1-CB 3.77Å; T481-C506 WeakPolarHBondContact O-CB 3.47Å; T483-C506 WeakPolarHBondContact OG1-CA 3.48Å; C506-V512 HydrophobicContact CB-CG1 3.89Å
507	V	95.1	Very high	96.4	Very high	95 Å²	95	25.7 Å²	25.7	58%	0.576	14%	0.139	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.7	156.9	179.9	0	0	0	0	107	T425 R426	T425-V507 WeakPolarHBondContact O-CA 3.14Å; R426-V507 HydrophobicContact CB-CG2 4.49Å
508	G	91.4	Very high	96.5	Very high	12 Å²	12	25.9 Å²	25.9	12%	0.124	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	165.1	-164.5	0	0	0	0	0	116.7	T425 R427	T425-G508 PolarHBondContact N-O 2.79Å; T425-G508 PolarHBondContact O-N 2.86Å; R427-G508 PolarHBondContact NH2-O 2.78Å
509	Q	91.3	Very high	96.6	Very high	61 Å²	61	25.9 Å²	25.9	29%	0.285	14%	0.14	S	C	.	.	S	Bend	trans	-78	-26.6	-178.5	-57.2	-168	-68.4	0	0	112.8	V419 L420 K422 P424 R427	V419-Q509 HydrophobicContact CB-CB 3.9Å; V419-Q509 HydrophobicContact CG2-CB 4.03Å; V419-Q509 PolarHBondContact O-NE2 3.11Å; L420-Q509 PolarHBondContact O-NE2 2.96Å; K422-Q509 HydrophobicContact CB-CB 4.19Å; K422-Q509 WeakPolarHBondContact CD-O 3.14Å; K422-Q509 WeakPolarHBondContact O-CG 3.25Å; K422-Q509 PolarHBondContact O-NE2 2.78Å; P424-Q509 HydrophobicContact CG-CG 4.03Å; R427-Q509 VanDerWaalsContact NH2-C 3.3Å; R427-Q509 PolarHBondContact NH2-O 3.28Å
510	T	92.3	Very high	96.6	Very high	43 Å²	43	23.2 Å²	23.2	26%	0.264	13%	0.126	S	C	.	.	S	Bend	trans	-113.4	166.7	171.2	-167.4	0	0	0	0	110.7	R427 H478 V480	R427-T510 WeakPolarHBondContact CG-O 3.45Å; H478-T510 HydrophobicContact CB-CG2 4.08Å; V480-T510 HydrophobicContact CG2-CG2 3.63Å
511	G	93	Very high	96.6	Very high	7 Å²	7	25.1 Å²	25.1	7%	0.072	14%	0.138	C	C	.	.			trans	-78.7	-173.7	174.5	0	0	0	0	0	113.1	E513	G511-E513 WeakPolarHBondContact CA-OE2 3.27Å
512	V	96.5	Very high	96.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.148	C	C	.	.			trans	-128.4	26.2	-178.4	-72.8	0	0	0	0	112.5	R427 A429 V480 L482 V504 C506 M514 E515 A516	R427-V512 HydrophobicContact CB-CG2 4.14Å; A429-V512 HydrophobicContact CB-CG2 3.92Å; A429-V512 WeakPolarHBondContact CB-O 3.5Å; V480-V512 HydrophobicContact CB-CG1 4.43Å; V480-V512 HydrophobicContact CG1-CG1 3.77Å; L482-V512 HydrophobicContact CD2-CG1 3.71Å; V504-V512 HydrophobicContact CB-CB 4.33Å; V504-V512 HydrophobicContact CB-CG2 4.24Å; V504-V512 HydrophobicContact CG1-CB 3.81Å; V504-V512 HydrophobicContact CG1-CG1 4.2Å; V504-V512 HydrophobicContact CG1-CG2 4.05Å; V504-V512 WeakPolarHBondContact O-CG2 3.26Å; C506-V512 HydrophobicContact CB-CG1 3.89Å; V512-M514 VanDerWaalsContact C-N 3.31Å; V512-M514 PolarHBondContact O-N 3.45Å; V512-E515 VanDerWaalsContact C-OE2 3.22Å; V512-E515 WeakPolarHBondContact CA-OE2 3.28Å; V512-E515 HydrophobicContact CB-CB 4.47Å; V512-E515 PolarHBondContact O-N 2.96Å; V512-A516 PolarHBondContact O-N 3.47Å
513	E	96.4	Very high	96.6	Very high	48 Å²	48	27 Å²	27	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-38.5	-178.2	-59.9	97.2	131.2	0	0	112.6	G511 L517 L545 K548	G511-E513 WeakPolarHBondContact CA-OE2 3.27Å; E513-L517 WeakPolarHBondContact O-CG 3.33Å; E513-L517 PolarHBondContact O-N 3.33Å; E513-L517 VanDerWaalsContact O-N 3.13Å; E513-L545 HydrophobicContact CB-CD1 4.09Å; E513-L545 HydrophobicContact CB-CD2 4.06Å; E513-L545 HydrophobicContact CG-CD1 4.29Å; E513-L545 HydrophobicContact CG-CD2 3.71Å; E513-K548 HydrophobicContact CG-CB 4.42Å; E513-K548 HydrophobicContact CG-CD 3.55Å; E513-K548 VanDerWaalsContact OE1-CD 3.26Å; E513-K548 WeakPolarHBondContact OE1-CD 2.91Å; E513-K548 WeakPolarHBondContact OE1-CE 3.5Å; E513-K548 IonicContact OE1-NZ 3.99Å; E513-K548 PolarHBondContact OE1-NZ 2.94Å
514	M	96.4	Very high	96.6	Very high	75 Å²	75	25 Å²	25	37%	0.369	14%	0.138	S	C	.	.	H	α-helix	trans	-74.5	-33.7	-177	-64.4	-52.1	-54.2	0	0	111.6	T470 I474 V512 L517 T518	T470-M514 HydrophobicContact CG2-CB 3.9Å; I474-M514 HydrophobicContact CG1-CE 4.45Å; I474-M514 HydrophobicContact CG2-CE 4.26Å; V512-M514 VanDerWaalsContact C-N 3.31Å; V512-M514 PolarHBondContact O-N 3.45Å; M514-L517 PolarHBondContact O-N 2.91Å; M514-L517 HydrophobicContact SD-CD1 4.31Å; M514-T518 WeakPolarHBondContact O-CB 3.34Å; M514-T518 PolarHBondContact O-N 2.92Å; M514-T518 PolarHBondContact O-OG1 3.23Å
515	E	98.1	Very high	96.6	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-40.4	178.5	-67.3	76.7	178.6	0	0	111.2	T470 L482 V504 V512 A519	T470-E515 HydrophobicContact CG2-CG 4.04Å; T470-E515 WeakPolarHBondContact OG1-CA 3.43Å; L482-E515 HydrophobicContact CD1-CB 4.42Å; L482-E515 HydrophobicContact CD1-CG 4.25Å; L482-E515 HydrophobicContact CD2-CG 4.13Å; V504-E515 HydrophobicContact CG1-CB 3.98Å; V504-E515 HydrophobicContact CG2-CB 4.38Å; V512-E515 VanDerWaalsContact C-OE2 3.22Å; V512-E515 WeakPolarHBondContact CA-OE2 3.28Å; V512-E515 HydrophobicContact CB-CB 4.47Å; V512-E515 PolarHBondContact O-N 2.96Å; E515-A519 WeakPolarHBondContact O-CB 3.26Å; E515-A519 PolarHBondContact O-N 2.92Å
516	A	98.2	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-49.4	172.2	0	0	0	0	0	111.5	A429 A431 S502 V504 V512 T518 A519 V520	A429-A516 HydrophobicContact CB-CB 3.92Å; A431-A516 HydrophobicContact CB-CB 3.76Å; S502-A516 WeakPolarHBondContact OG-CA 3.26Å; S502-A516 PolarHBondContact OG-O 3.3Å; V504-A516 HydrophobicContact CB-CB 4.34Å; V504-A516 HydrophobicContact CG2-CB 3.99Å; V512-A516 PolarHBondContact O-N 3.47Å; A516-T518 VanDerWaalsContact C-N 3.32Å; A516-T518 PolarHBondContact O-N 2.74Å; A516-A519 WeakPolarHBondContact O-CB 3.34Å; A516-A519 PolarHBondContact O-N 2.9Å; A516-V520 PolarHBondContact O-N 3.18Å
517	L	98.4	Very high	96.5	Very high	39 Å²	39	29 Å²	29	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-42	176.8	-75.5	166.8	0	0	0	112.4	A431 E513 M514 V520 T521 I543 L545	A431-L517 HydrophobicContact CB-CD2 4.22Å; A431-L517 HydrophobicContact CB-CG 4.39Å; E513-L517 WeakPolarHBondContact O-CG 3.33Å; E513-L517 PolarHBondContact O-N 3.33Å; E513-L517 VanDerWaalsContact O-N 3.13Å; M514-L517 PolarHBondContact O-N 2.91Å; M514-L517 HydrophobicContact SD-CD1 4.31Å; L517-V520 WeakPolarHBondContact O-CG2 3.32Å; L517-T521 VanDerWaalsContact O-CB 3.28Å; L517-T521 WeakPolarHBondContact O-CB 3.44Å; L517-T521 PolarHBondContact O-N 2.83Å; L517-T521 PolarHBondContact O-OG1 3.17Å; L517-I543 HydrophobicContact CD2-CG2 4.19Å; L517-L545 HydrophobicContact CD2-CB 4.46Å
518	T	98.3	Very high	96.5	Very high	13 Å²	13	28 Å²	28	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-36.7	178.7	-57	0	0	0	0	111.3	A466 L473 M514 A516 I522	A466-T518 HydrophobicContact CB-CG2 4.19Å; L473-T518 HydrophobicContact CD1-CG2 4.06Å; M514-T518 WeakPolarHBondContact O-CB 3.34Å; M514-T518 PolarHBondContact O-N 2.92Å; M514-T518 PolarHBondContact O-OG1 3.23Å; A516-T518 VanDerWaalsContact C-N 3.32Å; A516-T518 PolarHBondContact O-N 2.74Å; T518-I522 HydrophobicContact CG2-CG1 4.43Å; T518-I522 WeakPolarHBondContact O-CG1 3.4Å; T518-I522 PolarHBondContact O-N 3.37Å
519	A	98.5	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-53.8	175.9	0	0	0	0	0	112.7	G463 A467 V487 E515 A516 A523	G463-A519 VanDerWaalsContact CA-O 3.24Å; G463-A519 WeakPolarHBondContact CA-O 3.33Å; G463-A519 WeakPolarHBondContact O-CA 3.42Å; G463-A519 WeakPolarHBondContact O-CB 3.32Å; A467-A519 HydrophobicContact CB-CB 4.13Å; V487-A519 HydrophobicContact CG2-CB 4.04Å; E515-A519 WeakPolarHBondContact O-CB 3.26Å; E515-A519 PolarHBondContact O-N 2.92Å; A516-A519 WeakPolarHBondContact O-CB 3.34Å; A516-A519 PolarHBondContact O-N 2.9Å; A519-A523 WeakPolarHBondContact O-CB 3.24Å; A519-A523 PolarHBondContact O-N 2.51Å
520	V	98.7	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-34.3	179.8	-63.9	0	0	0	0	112.5	A431 A433 F500 A516 L517 A523 A524	A431-V520 HydrophobicContact CB-CG1 4.41Å; A431-V520 HydrophobicContact CB-CG2 3.95Å; A433-V520 HydrophobicContact CB-CB 3.8Å; A433-V520 HydrophobicContact CB-CG2 4.03Å; F500-V520 HydrophobicContact CB-CB 4.5Å; F500-V520 HydrophobicContact CB-CG1 4.4Å; A516-V520 PolarHBondContact O-N 3.18Å; L517-V520 WeakPolarHBondContact O-CG2 3.32Å; V520-A523 PolarHBondContact O-N 2.65Å; V520-A524 WeakPolarHBondContact O-CB 3.4Å; V520-A524 PolarHBondContact O-N 3.27Å
521	T	98.5	Very high	96.8	Very high	40 Å²	40	27.5 Å²	27.5	25%	0.245	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-46	177.2	-59.1	0	0	0	0	111.7	L517 L525 I543	L517-T521 VanDerWaalsContact O-CB 3.28Å; L517-T521 WeakPolarHBondContact O-CB 3.44Å; L517-T521 PolarHBondContact O-N 2.83Å; L517-T521 PolarHBondContact O-OG1 3.17Å; T521-L525 HydrophobicContact CG2-CD1 4.11Å; T521-L525 WeakPolarHBondContact O-CB 3.5Å; T521-L525 WeakPolarHBondContact O-CG 3.49Å; T521-L525 PolarHBondContact O-N 3.42Å; T521-I543 HydrophobicContact CG2-CD1 4.22Å; T521-I543 WeakPolarHBondContact OG1-CG2 3.39Å
522	I	98.4	Very high	96.7	Very high	53 Å²	53	31.3 Å²	31.3	27%	0.272	16%	0.156	S	C	.	.	H	α-helix	trans	-76	-32.4	179.5	-63.2	-60.6	0	0	0	112	A462 A466 T518 L525 T526	A462-I522 HydrophobicContact CB-CG2 4.21Å; A466-I522 HydrophobicContact CB-CB 3.46Å; A466-I522 VanDerWaalsContact CB-CB 3.46Å; A466-I522 HydrophobicContact CB-CG1 3.54Å; A466-I522 HydrophobicContact CB-CG2 3.78Å; T518-I522 HydrophobicContact CG2-CG1 4.43Å; T518-I522 WeakPolarHBondContact O-CG1 3.4Å; T518-I522 PolarHBondContact O-N 3.37Å; I522-L525 HydrophobicContact CD1-CD1 4.14Å; I522-L525 PolarHBondContact O-N 2.77Å; I522-T526 VanDerWaalsContact O-CB 3.29Å; I522-T526 WeakPolarHBondContact O-CB 3.44Å; I522-T526 PolarHBondContact O-N 3.29Å; I522-T526 PolarHBondContact O-OG1 2.81Å
523	A	98.4	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-47.2	170.7	0	0	0	0	0	111.2	S459 V487 F500 A519 V520 T526 L527	S459-A523 WeakPolarHBondContact CB-O 3.38Å; S459-A523 WeakPolarHBondContact O-CA 3.43Å; S459-A523 VanDerWaalsContact O-CB 3.31Å; S459-A523 WeakPolarHBondContact O-CB 3.24Å; V487-A523 HydrophobicContact CG1-CB 4.49Å; F500-A523 HydrophobicContact CB-CB 4.45Å; F500-A523 HydrophobicContact CD1-CB 3.74Å; F500-A523 HydrophobicContact CD2-CB 4.27Å; F500-A523 HydrophobicContact CE1-CB 4.01Å; F500-A523 HydrophobicContact CE2-CB 4.49Å; F500-A523 HydrophobicContact CG-CB 3.89Å; F500-A523 HydrophobicContact CZ-CB 4.37Å; A519-A523 WeakPolarHBondContact O-CB 3.24Å; A519-A523 PolarHBondContact O-N 2.51Å; V520-A523 PolarHBondContact O-N 2.65Å; A523-T526 PolarHBondContact O-N 2.74Å; A523-L527 PolarHBondContact O-N 2.95Å
524	A	98.2	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-44.2	176	0	0	0	0	0	113.1	A433 V435 F500 V520 T526 L527 Y528 I540	A433-A524 HydrophobicContact CB-CB 4.28Å; V435-A524 HydrophobicContact CG2-CB 3.55Å; F500-A524 HydrophobicContact CD2-CB 4.45Å; V520-A524 WeakPolarHBondContact O-CB 3.4Å; V520-A524 PolarHBondContact O-N 3.27Å; A524-T526 VanDerWaalsContact C-N 3.3Å; A524-T526 PolarHBondContact O-N 2.85Å; A524-L527 PolarHBondContact O-N 3.33Å; A524-Y528 PolarHBondContact O-N 2.79Å; A524-I540 HydrophobicContact CB-CD1 4.03Å; A524-I540 HydrophobicContact CB-CG1 4.25Å; A524-I540 HydrophobicContact CB-CG2 3.73Å
525	L	97.8	Very high	95	Very high	87 Å²	87	34.2 Å²	34.2	46%	0.455	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-32	175.7	-81.7	166	0	0	0	113.1	T521 I522 Y528 D529 I540	T521-L525 HydrophobicContact CG2-CD1 4.11Å; T521-L525 WeakPolarHBondContact O-CB 3.5Å; T521-L525 WeakPolarHBondContact O-CG 3.49Å; T521-L525 PolarHBondContact O-N 3.42Å; I522-L525 HydrophobicContact CD1-CD1 4.14Å; I522-L525 PolarHBondContact O-N 2.77Å; L525-Y528 WeakPolarHBondContact O-CB 3.44Å; L525-Y528 PolarHBondContact O-N 3.21Å; L525-D529 PolarHBondContact O-N 3.08Å; L525-I540 HydrophobicContact CD2-CD1 3.91Å; L525-I540 HydrophobicContact CG-CD1 4.02Å
526	T	96.9	Very high	94.2	Very high	28 Å²	28	41.7 Å²	41.7	17%	0.172	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-43.9	176.4	-58.6	0	0	0	0	110.1	V458 A462 I522 A523 A524 Y528 D529 M530	V458-T526 HydrophobicContact CG1-CG2 3.99Å; A462-T526 HydrophobicContact CB-CG2 3.96Å; A462-T526 VanDerWaalsContact CB-OG1 3.25Å; A462-T526 WeakPolarHBondContact CB-OG1 3.17Å; I522-T526 VanDerWaalsContact O-CB 3.29Å; I522-T526 WeakPolarHBondContact O-CB 3.44Å; I522-T526 PolarHBondContact O-N 3.29Å; I522-T526 PolarHBondContact O-OG1 2.81Å; A523-T526 PolarHBondContact O-N 2.74Å; A524-T526 VanDerWaalsContact C-N 3.3Å; A524-T526 PolarHBondContact O-N 2.85Å; T526-Y528 VanDerWaalsContact C-N 3.28Å; T526-Y528 PolarHBondContact O-N 2.89Å; T526-D529 PolarHBondContact O-N 2.82Å; T526-M530 HydrophobicContact CG2-CG 4.38Å; T526-M530 WeakPolarHBondContact O-CB 3.3Å; T526-M530 VanDerWaalsContact O-CG 3.23Å; T526-M530 WeakPolarHBondContact O-CG 3.44Å; T526-M530 PolarHBondContact O-N 3.05Å
527	L	96	Very high	93.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-40.8	174.1	-173.5	59.2	0	0	0	111.4	V435 L437 I445 V455 L456 S459 V498 F500 A523 A524 M530 C531	V435-L527 HydrophobicContact CB-CD2 4.07Å; V435-L527 HydrophobicContact CG1-CD2 4.1Å; V435-L527 HydrophobicContact CG1-CG 4.45Å; V435-L527 HydrophobicContact CG2-CD2 4.29Å; L437-L527 HydrophobicContact CD1-CD2 4.31Å; I445-L527 HydrophobicContact CD1-CD1 4.04Å; V455-L527 HydrophobicContact CB-CD1 4.03Å; V455-L527 HydrophobicContact CG2-CD1 3.66Å; L456-L527 HydrophobicContact CD2-CD1 4.09Å; L456-L527 HydrophobicContact CD2-CD2 4.23Å; S459-L527 WeakPolarHBondContact OG-CA 3.44Å; S459-L527 PolarHBondContact OG-N 3.35Å; S459-L527 VanDerWaalsContact OG-N 3.15Å; V498-L527 HydrophobicContact CB-CD2 3.74Å; V498-L527 HydrophobicContact CG1-CD2 3.97Å; V498-L527 HydrophobicContact CG2-CD2 3.83Å; F500-L527 HydrophobicContact CE2-CB 4.01Å; F500-L527 HydrophobicContact CE2-CD2 3.71Å; F500-L527 HydrophobicContact CZ-CB 4.18Å; F500-L527 HydrophobicContact CZ-CD2 4.01Å; A523-L527 PolarHBondContact O-N 2.95Å; A524-L527 PolarHBondContact O-N 3.33Å; L527-M530 PolarHBondContact O-N 3.31Å; L527-C531 VanDerWaalsContact O-CB 3.31Å; L527-C531 WeakPolarHBondContact O-CB 3.47Å; L527-C531 PolarHBondContact O-N 2.91Å; L527-C531 PolarHBondContact O-SG 3.3Å
528	Y	95.8	Very high	93.6	Very high	74 Å²	74	44.3 Å²	44.3	29%	0.29	24%	0.236	S	C	.	.	H	α-helix	trans	-57.8	-52.9	172.5	-169.1	-69.9	0	0	0	111.7	A524 L525 T526 M530 C531 K532 I538 I540	A524-Y528 PolarHBondContact O-N 2.79Å; L525-Y528 WeakPolarHBondContact O-CB 3.44Å; L525-Y528 PolarHBondContact O-N 3.21Å; T526-Y528 VanDerWaalsContact C-N 3.28Å; T526-Y528 PolarHBondContact O-N 2.89Å; Y528-M530 VanDerWaalsContact C-N 3.31Å; Y528-M530 PolarHBondContact O-N 3.46Å; Y528-C531 PolarHBondContact O-N 2.87Å; Y528-C531 VanDerWaalsContact O-N 3.16Å; Y528-K532 HydrophobicContact CD1-CB 4.1Å; Y528-K532 HydrophobicContact CD1-CD 4.43Å; Y528-K532 HydrophobicContact CE1-CB 3.88Å; Y528-K532 HydrophobicContact CE1-CD 4.33Å; Y528-K532 WeakPolarHBondContact O-CB 3.16Å; Y528-K532 PolarHBondContact O-N 3.35Å; Y528-I538 HydrophobicContact CD2-CB 3.86Å; Y528-I538 HydrophobicContact CD2-CG2 3.42Å; Y528-I538 VanDerWaalsContact CD2-CG2 3.42Å; Y528-I538 HydrophobicContact CE2-CB 3.7Å; Y528-I538 HydrophobicContact CE2-CG2 3.8Å; Y528-I538 WeakPolarHBondContact CE2-O 3.36Å; Y528-I538 HydrophobicContact CG-CG2 4.16Å; Y528-I540 HydrophobicContact CD2-CD1 4.23Å; Y528-I540 HydrophobicContact CD2-CG1 4.21Å
529	D	94.8	Very high	93.5	Very high	74 Å²	74	47.2 Å²	47.2	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-37	-179	-168.5	87.6	0	0	0	112.7	K452 L525 T526 C531 K532	K452-D529 PolarHBondContact NZ-O 2.94Å; K452-D529 IonicContact NZ-OD2 3.16Å; L525-D529 PolarHBondContact O-N 3.08Å; T526-D529 PolarHBondContact O-N 2.82Å; D529-C531 VanDerWaalsContact C-N 3.35Å; D529-C531 PolarHBondContact O-N 3.25Å; D529-K532 WeakPolarHBondContact OD1-CE 3.25Å; D529-K532 IonicContact OD1-NZ 2.68Å; D529-K532 PolarHBondContact OD1-NZ 3.24Å
530	M	92.4	Very high	93.4	Very high	31 Å²	31	49.7 Å²	49.7	15%	0.153	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-41	174.6	-66.7	-60.9	-97.6	0	0	111.5	K452 V455 V458 T526 L527 Y528	K452-M530 HydrophobicContact CB-CE 3.62Å; K452-M530 HydrophobicContact CB-SD 4.29Å; K452-M530 HydrophobicContact CD-CB 4.28Å; K452-M530 HydrophobicContact CD-CE 4.02Å; K452-M530 WeakPolarHBondContact CD-O 3.31Å; K452-M530 HydrophobicContact CD-SD 3.53Å; K452-M530 VanDerWaalsContact CD-SD 3.53Å; K452-M530 VanDerWaalsContact CE-O 3.26Å; K452-M530 WeakPolarHBondContact CE-O 3.42Å; K452-M530 HydrophobicContact CG-CE 4.49Å; K452-M530 PolarHBondContact NZ-O 2.78Å; V455-M530 HydrophobicContact CB-CB 4Å; V455-M530 HydrophobicContact CB-CG 4.37Å; V455-M530 HydrophobicContact CG1-CB 3.66Å; V455-M530 HydrophobicContact CG1-CE 4.11Å; V455-M530 HydrophobicContact CG1-CG 4.19Å; V458-M530 HydrophobicContact CB-CE 4.42Å; V458-M530 HydrophobicContact CG1-CE 4.11Å; V458-M530 HydrophobicContact CG2-CE 4.48Å; T526-M530 HydrophobicContact CG2-CG 4.38Å; T526-M530 WeakPolarHBondContact O-CB 3.3Å; T526-M530 VanDerWaalsContact O-CG 3.23Å; T526-M530 WeakPolarHBondContact O-CG 3.44Å; T526-M530 PolarHBondContact O-N 3.05Å; L527-M530 PolarHBondContact O-N 3.31Å; Y528-M530 VanDerWaalsContact C-N 3.31Å; Y528-M530 PolarHBondContact O-N 3.46Å
531	C	92.2	Very high	93.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-93.6	-21.2	-172.4	-61	0	0	0	0	116	L437 I441 M450 L527 Y528 D529 A533 L534 I538	L437-C531 HydrophobicContact CD2-CB 4.34Å; I441-C531 HydrophobicContact CD1-CB 4.49Å; I441-C531 HydrophobicContact CG2-CB 4.04Å; M450-C531 HydrophobicContact CE-CB 4.47Å; L527-C531 VanDerWaalsContact O-CB 3.31Å; L527-C531 WeakPolarHBondContact O-CB 3.47Å; L527-C531 PolarHBondContact O-N 2.91Å; L527-C531 PolarHBondContact O-SG 3.3Å; Y528-C531 PolarHBondContact O-N 2.87Å; Y528-C531 VanDerWaalsContact O-N 3.16Å; D529-C531 VanDerWaalsContact C-N 3.35Å; D529-C531 PolarHBondContact O-N 3.25Å; C531-A533 PolarHBondContact O-N 2.88Å; C531-L534 WeakPolarHBondContact O-CB 3.38Å; C531-L534 PolarHBondContact O-N 3.02Å; C531-I538 HydrophobicContact CB-CD1 3.49Å; C531-I538 VanDerWaalsContact CB-CD1 3.49Å
532	K	90.8	Very high	93	Very high	88 Å²	88	54.5 Å²	54.5	38%	0.383	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.6	-171.9	69.9	-178.6	176	-172	0	116.2	Y528 D529 L534 S535	Y528-K532 HydrophobicContact CD1-CB 4.1Å; Y528-K532 HydrophobicContact CD1-CD 4.43Å; Y528-K532 HydrophobicContact CE1-CB 3.88Å; Y528-K532 HydrophobicContact CE1-CD 4.33Å; Y528-K532 WeakPolarHBondContact O-CB 3.16Å; Y528-K532 PolarHBondContact O-N 3.35Å; D529-K532 WeakPolarHBondContact OD1-CE 3.25Å; D529-K532 IonicContact OD1-NZ 2.68Å; D529-K532 PolarHBondContact OD1-NZ 3.24Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-S535 CarbonylContact C-O 3.52Å; K532-S535 WeakPolarHBondContact CA-O 3.28Å; K532-S535 VanDerWaalsContact O-O 3.11Å
533	A	85.8	Confident	93	Very high	84 Å²	84	55.5 Å²	55.5	69%	0.694	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.6	175.1	0	0	0	0	0	113.1	C531	C531-A533 PolarHBondContact O-N 2.88Å
534	L	85.6	Confident	92.9	Very high	81 Å²	81	60.1 Å²	60.1	42%	0.424	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-27.1	176.7	-62.5	179.3	0	0	0	112.5	I441 L444 M450 C531 K532	I441-L534 HydrophobicContact CD1-CB 3.84Å; I441-L534 HydrophobicContact CG1-CB 3.86Å; I441-L534 HydrophobicContact CG1-CD1 4.17Å; L444-L534 HydrophobicContact CD1-CD1 3.98Å; M450-L534 HydrophobicContact CE-CD1 3.81Å; M450-L534 HydrophobicContact SD-CD1 3.55Å; M450-L534 VanDerWaalsContact SD-CD1 3.55Å; C531-L534 WeakPolarHBondContact O-CB 3.38Å; C531-L534 PolarHBondContact O-N 3.02Å; K532-L534 VanDerWaalsContact C-N 3.32Å
535	S	83.5	Confident	92.8	Very high	19 Å²	19	62.8 Å²	62.8	13%	0.133	33%	0.332	C	S	.	.			trans	-162.3	157.4	174.5	-162.7	0	0	0	0	113.3	N438 K532 D537	N438-S535 VanDerWaalsContact ND2-CB 3.31Å; N438-S535 WeakPolarHBondContact ND2-CB 3.26Å; N438-S535 PolarHBondContact ND2-OG 2.64Å; N438-S535 VanDerWaalsContact ND2-OG 3.1Å; K532-S535 CarbonylContact C-O 3.52Å; K532-S535 WeakPolarHBondContact CA-O 3.28Å; K532-S535 VanDerWaalsContact O-O 3.11Å; S535-D537 WeakPolarHBondContact CB-OD1 3.45Å; S535-D537 PolarHBondContact OG-OD1 2.86Å; S535-D537 PolarHBondContact OG-OD2 3.39Å; S535-D537 VanDerWaalsContact OG-OD2 3.12Å
536	H	81.4	Confident	92.6	Very high	165 Å²	165	63.7 Å²	63.7	76%	0.764	33%	0.332	S	S	*	.	S	Bend	trans	-108.5	1.8	179.5	-58.2	86.9	0	0	0	113.1
537	D	88.7	Confident	92.5	Very high	86 Å²	86	66.7 Å²	66.7	46%	0.46	34%	0.344	S	S	.	.			trans	-85.5	-3.8	179.5	57.8	4.1	0	0	0	114.1	N438 S535 T539	N438-D537 PolarHBondContact ND2-OD1 3.34Å; N438-D537 PolarHBondContact ND2-OD2 3.33Å; S535-D537 WeakPolarHBondContact CB-OD1 3.45Å; S535-D537 PolarHBondContact OG-OD1 2.86Å; S535-D537 PolarHBondContact OG-OD2 3.39Å; S535-D537 VanDerWaalsContact OG-OD2 3.12Å; D537-T539 PolarHBondContact O-N 2.83Å
538	I	94.2	Very high	92.3	Very high	7 Å²	7	68.8 Å²	68.8	4%	0.036	35%	0.353	C	S	.	.			trans	-57.7	135.1	-179	-50.4	-177.2	0	0	0	110.3	V435 H436 L437 I441 Y528 C531	V435-I538 HydrophobicContact CG1-CG2 3.91Å; H436-I538 WeakPolarHBondContact O-CA 3.47Å; L437-I538 HydrophobicContact CD2-CB 4.37Å; L437-I538 HydrophobicContact CD2-CD1 3.9Å; L437-I538 HydrophobicContact CD2-CG1 3.91Å; L437-I538 HydrophobicContact CD2-CG2 3.73Å; I441-I538 HydrophobicContact CD1-CD1 4.34Å; Y528-I538 HydrophobicContact CD2-CB 3.86Å; Y528-I538 HydrophobicContact CD2-CG2 3.42Å; Y528-I538 VanDerWaalsContact CD2-CG2 3.42Å; Y528-I538 HydrophobicContact CE2-CB 3.7Å; Y528-I538 HydrophobicContact CE2-CG2 3.8Å; Y528-I538 WeakPolarHBondContact CE2-O 3.36Å; Y528-I538 HydrophobicContact CG-CG2 4.16Å; C531-I538 HydrophobicContact CB-CD1 3.49Å; C531-I538 VanDerWaalsContact CB-CD1 3.49Å
539	T	96.5	Very high	92.1	Very high	75 Å²	75	66.9 Å²	66.9	46%	0.46	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.5	176.3	36	0	0	0	0	111.6	V435 H436 D537	V435-T539 CarbonylContact C-O 3.6Å; V435-T539 WeakPolarHBondContact CA-O 3.42Å; H436-T539 PolarHBondContact N-O 2.87Å; H436-T539 PolarHBondContact O-N 3.05Å; D537-T539 PolarHBondContact O-N 2.83Å
540	I	97.5	Very high	91.4	Very high	52 Å²	52	64.4 Å²	64.4	27%	0.267	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.1	173.2	-57.7	173.5	0	0	0	107.7	G434 V435 A524 L525 Y528 I543	G434-I540 CarbonylContact O-C 3.47Å; G434-I540 WeakPolarHBondContact O-CA 3.36Å; V435-I540 HydrophobicContact CG2-CG1 4.42Å; A524-I540 HydrophobicContact CB-CD1 4.03Å; A524-I540 HydrophobicContact CB-CG1 4.25Å; A524-I540 HydrophobicContact CB-CG2 3.73Å; L525-I540 HydrophobicContact CD2-CD1 3.91Å; L525-I540 HydrophobicContact CG-CD1 4.02Å; Y528-I540 HydrophobicContact CD2-CD1 4.23Å; Y528-I540 HydrophobicContact CD2-CG1 4.21Å; I540-I543 HydrophobicContact CG2-CD1 3.84Å; I540-I543 HydrophobicContact CG2-CG1 4.14Å
541	T	95.1	Very high	90.6	Very high	40 Å²	40	64.9 Å²	64.9	25%	0.245	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	172.9	-174.8	66.9	0	0	0	0	111	G434 I543	G434-T541 PolarHBondContact N-O 3.35Å; G434-T541 PolarHBondContact O-N 2.84Å; T541-I543 PolarHBondContact O-N 3.02Å
542	D	93.4	Very high	89.2	Confident	100 Å²	100	75.3 Å²	75.3	54%	0.535	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.2	32.8	160.8	-54.8	-63.4	0	0	0	116.1	T432 F544	T432-D542 CarbonylContact C-O 3.53Å; T432-D542 WeakPolarHBondContact CG2-O 3.4Å; D542-F544 HydrophobicContact CB-CD1 4.31Å; D542-F544 HydrophobicContact CB-CE1 4.14Å; D542-F544 WeakPolarHBondContact O-CD1 3.17Å; D542-F544 PolarHBondContact O-N 3.42Å; D542-F544 VanDerWaalsContact O-N 3.1Å
543	I	97.7	Very high	87.4	Confident	74 Å²	74	78 Å²	78	38%	0.379	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	99.1	171.6	-57.5	175	0	0	0	108.7	T432 A433 L517 T521 I540 T541	T432-I543 WeakPolarHBondContact O-CA 3.47Å; A433-I543 HydrophobicContact CB-CG1 3.81Å; L517-I543 HydrophobicContact CD2-CG2 4.19Å; T521-I543 HydrophobicContact CG2-CD1 4.22Å; T521-I543 WeakPolarHBondContact OG1-CG2 3.39Å; I540-I543 HydrophobicContact CG2-CD1 3.84Å; I540-I543 HydrophobicContact CG2-CG1 4.14Å; T541-I543 PolarHBondContact O-N 3.02Å
544	F	97.1	Very high	85.7	Confident	98 Å²	98	81.9 Å²	81.9	43%	0.43	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.8	176.3	67.3	-92.8	0	0	0	114.2	A431 T432 D542 K546	A431-F544 WeakPolarHBondContact CA-O 3.35Å; T432-F544 HydrophobicContact CG2-CD1 3.86Å; T432-F544 HydrophobicContact CG2-CD2 4.44Å; T432-F544 HydrophobicContact CG2-CE1 3.48Å; T432-F544 VanDerWaalsContact CG2-CE1 3.48Å; T432-F544 HydrophobicContact CG2-CE2 4.11Å; T432-F544 HydrophobicContact CG2-CG 4.32Å; T432-F544 HydrophobicContact CG2-CZ 3.62Å; T432-F544 PolarHBondContact N-O 3.41Å; T432-F544 PolarHBondContact O-N 2.93Å; D542-F544 HydrophobicContact CB-CD1 4.31Å; D542-F544 HydrophobicContact CB-CE1 4.14Å; D542-F544 WeakPolarHBondContact O-CD1 3.17Å; D542-F544 PolarHBondContact O-N 3.42Å; D542-F544 VanDerWaalsContact O-N 3.1Å; F544-K546 HydrophobicContact CE2-CB 4.27Å; F544-K546 HydrophobicContact CE2-CG 4.11Å
545	L	96.6	Very high	84.2	Confident	55 Å²	55	86.6 Å²	86.6	29%	0.288	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.2	172.3	-173.4	78.3	0	0	0	108.8	A429 I430 E513 L517 K548	A429-L545 HydrophobicContact CB-CD1 4.06Å; I430-L545 WeakPolarHBondContact O-CD1 3.45Å; E513-L545 HydrophobicContact CB-CD1 4.09Å; E513-L545 HydrophobicContact CB-CD2 4.06Å; E513-L545 HydrophobicContact CG-CD1 4.29Å; E513-L545 HydrophobicContact CG-CD2 3.71Å; L517-L545 HydrophobicContact CD2-CB 4.46Å; L545-K548 HydrophobicContact CD2-CB 4.36Å; L545-K548 HydrophobicContact CD2-CD 4.07Å
546	K	93.1	Very high	84.2	Confident	107 Å²	107	90 Å²	90	47%	0.465	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-33.1	-168.3	-158.4	176.9	-163.2	163	0	112.9	I430 N501 F544	I430-K546 HydrophobicContact CB-CB 4.48Å; I430-K546 HydrophobicContact CG2-CB 4.13Å; I430-K546 HydrophobicContact CG2-CD 4.27Å; I430-K546 PolarHBondContact O-N 2.85Å; N501-K546 PolarHBondContact OD1-NZ 2.75Å; F544-K546 HydrophobicContact CE2-CB 4.27Å; F544-K546 HydrophobicContact CE2-CG 4.11Å
547	E	93.4	Very high	84.4	Confident	90 Å²	90	86.1 Å²	86.1	42%	0.421	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	151.8	172.8	-165.3	-166.8	145.6	0	0	109.2	I430 T549 H555	I430-E547 HydrophobicContact CB-CB 4.27Å; I430-E547 HydrophobicContact CD1-CB 4.41Å; I430-E547 PolarHBondContact N-O 2.55Å; I430-E547 PolarHBondContact O-N 2.97Å; E547-T549 VanDerWaalsContact OE1-CG2 3.31Å; E547-T549 WeakPolarHBondContact OE1-CG2 3.25Å; E547-H555 CarbonylContact C-O 3.59Å; E547-H555 WeakPolarHBondContact CA-O 3.43Å
548	K	93	Very high	84.1	Confident	44 Å²	44	86.1 Å²	86.1	19%	0.191	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.6	156.5	77.2	-173.7	-172.5	-177.8	0	113.6	V428 E513 L545 K554 H555	V428-K548 CarbonylContact O-C 3.5Å; V428-K548 VanDerWaalsContact O-CA 3.28Å; V428-K548 WeakPolarHBondContact O-CA 3.08Å; E513-K548 HydrophobicContact CG-CB 4.42Å; E513-K548 HydrophobicContact CG-CD 3.55Å; E513-K548 VanDerWaalsContact OE1-CD 3.26Å; E513-K548 WeakPolarHBondContact OE1-CD 2.91Å; E513-K548 WeakPolarHBondContact OE1-CE 3.5Å; E513-K548 IonicContact OE1-NZ 3.99Å; E513-K548 PolarHBondContact OE1-NZ 2.94Å; L545-K548 HydrophobicContact CD2-CB 4.36Å; L545-K548 HydrophobicContact CD2-CD 4.07Å; K548-K554 WeakPolarHBondContact O-CA 3.29Å; K548-H555 HydrophobicContact CD-CB 4.33Å; K548-H555 HydrophobicContact CG-CB 3.97Å; K548-H555 PolarHBondContact N-O 2.84Å; K548-H555 PolarHBondContact O-N 3.32Å; K548-H555 VanDerWaalsContact O-N 3.11Å
549	T	91.2	Very high	83.5	Confident	35 Å²	35	90.7 Å²	90.7	22%	0.215	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.9	172.6	59.1	0	0	0	0	112.8	R427 V428 E547 K554	R427-T549 WeakPolarHBondContact CA-O 3.26Å; V428-T549 PolarHBondContact N-O 3.14Å; V428-T549 PolarHBondContact O-N 3.41Å; E547-T549 VanDerWaalsContact OE1-CG2 3.31Å; E547-T549 WeakPolarHBondContact OE1-CG2 3.25Å; T549-K554 HydrophobicContact CG2-CD 4.18Å; T549-K554 HydrophobicContact CG2-CG 4.25Å
550	G	80.4	Confident	82.7	Confident	22 Å²	22	91.7 Å²	91.7	23%	0.227	46%	0.456	C	S	.	.	S	Bend	trans	101.2	138.2	175.4	0	0	0	0	0	114.7	R426 R427	R426-G550 WeakPolarHBondContact O-CA 3.42Å; R427-G550 VanDerWaalsContact CD-C 3.45Å; R427-G550 WeakPolarHBondContact CD-O 3.42Å; R427-G550 PolarHBondContact NH1-O 2.98Å; R427-G550 VanDerWaalsContact NH1-O 3.08Å
551	G	75.3	Confident	81.7	Confident	41 Å²	41	94.3 Å²	94.3	42%	0.423	47%	0.469	S	S	.	.	S	Bend	trans	88.7	-164.3	-167.7	0	0	0	0	0	112.7	M553	G551-M553 VanDerWaalsContact C-N 3.34Å; G551-M553 PolarHBondContact O-N 3.17Å
552	K	62.3	Low	80.8	Confident	219 Å²	219	98.2 Å²	98.2	95%	0.952	49%	0.485	S	S	*	.	S	Bend	trans	-73	-14.9	-171	-72.7	-167.6	174.5	-172.5	0	115.9
553	M	52.6	Low	79.8	Confident	143 Å²	143	98.1 Å²	98.1	70%	0.704	48%	0.481	S	S	*	.			trans	-140.8	120.4	178.2	-64.3	-170.7	-65.8	0	0	109.8	G551	G551-M553 VanDerWaalsContact C-N 3.34Å; G551-M553 PolarHBondContact O-N 3.17Å
554	K	50.5	Low	78.3	Confident	167 Å²	167	100.1 Å²	100.1	73%	0.726	49%	0.49	S	S	*	.			trans	-73.5	154.5	155.5	-63.5	-174.7	175.3	-173.1	0	108.4	K548 T549	K548-K554 WeakPolarHBondContact O-CA 3.29Å; T549-K554 HydrophobicContact CG2-CD 4.18Å; T549-K554 HydrophobicContact CG2-CG 4.25Å
555	H	54.3	Low	76.6	Confident	180 Å²	180	100.3 Å²	100.3	83%	0.833	50%	0.495	S	S	*	.			trans	-148.3	0	173.8	-159.9	-35	0	0	0	110.3	E547 K548	E547-H555 CarbonylContact C-O 3.59Å; E547-H555 WeakPolarHBondContact CA-O 3.43Å; K548-H555 HydrophobicContact CD-CB 4.33Å; K548-H555 HydrophobicContact CG-CB 3.97Å; K548-H555 PolarHBondContact N-O 2.84Å; K548-H555 PolarHBondContact O-N 3.32Å; K548-H555 VanDerWaalsContact O-N 3.11Å

Retrieved 555 of 555 residues in 275.8 ms (Link to these results)

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