A0A096NMF9_PAPAN Loading...

IQ motif containing H

AlphaFold DB , UniProt , Accession A0A096NMF9, Species PAPAN (Papio anubis, Olive baboon), Gene IQCH, Length 1,027 aa.

						>A0A096NMF9_PAPAN|A0A096NMF9|IQCH
MAQNTENHDPVGSILIQIHEDLYQLKEELTKFSPEEKRETLDIRSLETAIKRTEMGLKIHIEKYLNVVNQNVLTTAVNDENLYTPQASKWLLPTVIDQKSFIFPQESEGKLWQSQRQHSSSLPVFPRAKVNVPKLIKGSTVSNLTVLPSSHRTDPYFTPVPVLQADARKGILSMIERGLIPPTARITFQNPPIIPRAAPLHSFGEARKIPATATFTVPREPPPPPAEVKFFPKKHSSKGKSRRPRGHHDRKAVKVTPPSRARKSLWDYDFLIYDGVIDNTAPDFLAFKEHFSLAWGGIFSLLEHVEKFLRNYAIPEVKIKGNNLVALLPEFELKNKLTRYDLLSVLEDPAHVQMLINLPGQRYKGQDGNSEAAMKIQATWKCYKARKFFLIYRQQKWASGVIAIAWLLHCHKTRLKKILKESRQRHLENFRIRAKHLAANWNRIRTSRRTIIHIPSLGYSQPVREHIADFNTQQNTQLGRLCDILDANVNVIYICSHHMNDELVLYYKQILSLHAAVKSGNLEDRSDLQDRIKIITPEAVNIFPKHHMCLATHLMYSPKAIKRIKNLIRGTEAYIVSGLLHRDDLAVADMLDIPILGSEPELAHLYSTKSGGKRVFDSANVAVPPGIDDIYSQQQMIEQLSQLITDHLQIQRWLFKMDSEFRGNGTAFCDIPSYLKCYKWVLKESSRYGLEDWRKKWAQEPALVKISEELAGILAQHAQPVNEKRFPTWRKFLQTFLSQGGVIEAFPPADSITNLTVDMLIEPNGKISVLSTGDQLHADSPFISSGTTVPQTSVDPQVLTYLCLQIGKACRMRDVVGYFSIDLVTFIDPSTLEQQVWATGLNLAYSDQLALTQLTLYLTNGHLDCSLSTLEVSRFVPKEKKKTNRISALSVPTLATSRYAVMTTQLRHSNLSLVFHYVFLQICRAHGIGYDLEDRQGTVFILYEHMKRHKLGMLTIGEDLQGVLMTFARNLFIIHQEISAPNMQGETNFKTSIADIETILRVTKENKMRYEEEQQSKDDKNLSKPKK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	39	Very low	253 Å²	253	145.6 Å²	145.6	100%	1.246	79%	0.786	S	S	*	*				0	113.4	0	-70	-174.8	-175.3	0	0	108.4
2	A	28.3	Very low	39.6	Very low	99 Å²	99	135.2 Å²	135.2	82%	0.818	74%	0.738	S	S	*	*			trans	-163.3	116.3	157.1	0	0	0	0	0	105.8
3	Q	31.4	Very low	40.6	Very low	193 Å²	193	128.5 Å²	128.5	90%	0.902	71%	0.707	S	S	*	*			trans	-59.9	133.6	-174.4	-74.8	159.8	-36.7	0	0	111	T5	Q3-T5 PolarHBondContact O-N 3.49Å; Q3-T5 VanDerWaalsContact O-N 3.17Å
4	N	30	Very low	41.7	Very low	160 Å²	160	124.4 Å²	124.4	86%	0.856	68%	0.683	S	S	*	*			trans	-64.7	108.3	163.9	-81.2	-26.3	0	0	0	108.1	E6	N4-E6 PolarHBondContact O-N 3.17Å
5	T	33.5	Very low	42.2	Very low	129 Å²	129	123.4 Å²	123.4	79%	0.791	68%	0.675	S	S	*	*			trans	-72.8	111.5	159.3	46.1	0	0	0	0	107.6	Q3 N7	Q3-T5 PolarHBondContact O-N 3.49Å; Q3-T5 VanDerWaalsContact O-N 3.17Å; T5-N7 PolarHBondContact O-N 3.19Å
6	E	35	Very low	42.9	Very low	183 Å²	183	122.1 Å²	122.1	86%	0.855	67%	0.666	S	S	*	*			trans	-50.9	121.8	172.3	-68.7	175.4	151	0	0	110.2	N4 H8	N4-E6 PolarHBondContact O-N 3.17Å; E6-H8 VanDerWaalsContact C-N 3.25Å; E6-H8 PolarHBondContact O-N 3.48Å
7	N	39.8	Very low	43.7	Very low	165 Å²	165	120.9 Å²	120.9	88%	0.882	66%	0.655	S	S	*	*			trans	-68.7	91.3	163.2	-82.6	-32	0	0	0	107.2	T5 D9	T5-N7 PolarHBondContact O-N 3.19Å; N7-D9 PolarHBondContact O-N 3.2Å
8	H	41.4	Very low	44.6	Very low	148 Å²	148	117.6 Å²	117.6	69%	0.685	64%	0.636	S	S	*	*			trans	-58.6	118	166.7	-148.7	-55.4	0	0	0	107.3	E6 P10	E6-H8 VanDerWaalsContact C-N 3.25Å; E6-H8 PolarHBondContact O-N 3.48Å; H8-P10 WeakPolarHBondContact O-CD 3.47Å
9	D	47	Very low	44.8	Very low	102 Å²	102	118 Å²	118	55%	0.545	63%	0.633	S	S	.	*			trans	-86	97.5	170.5	179.6	-0.4	0	0	0	107.7	N7 V11 G12 S13	N7-D9 PolarHBondContact O-N 3.2Å; D9-V11 PolarHBondContact O-N 3.17Å; D9-V11 PolarHBondContact OD1-N 3.27Å; D9-G12 PolarHBondContact O-N 3.5Å; D9-G12 PolarHBondContact OD1-N 3.23Å; D9-S13 PolarHBondContact O-N 3.09Å; D9-S13 PolarHBondContact O-OG 2.89Å
10	P	51.7	Low	45.4	Very low	79 Å²	79	117.4 Å²	117.4	51%	0.513	63%	0.626	S	S	.	*	H	α-helix	trans	-69.5	-21.3	-172.8	30.7	-36.1	0	0	0	112.1	H8 S13 I14	H8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-S13 WeakPolarHBondContact CA-OG 3.42Å; P10-S13 PolarHBondContact O-OG 3.22Å; P10-I14 VanDerWaalsContact O-CD1 3.31Å; P10-I14 WeakPolarHBondContact O-CD1 3.35Å; P10-I14 VanDerWaalsContact O-CG1 3.25Å; P10-I14 WeakPolarHBondContact O-CG1 3.44Å; P10-I14 PolarHBondContact O-N 3.43Å
11	V	50.1	Low	45.9	Very low	91 Å²	91	115.1 Å²	115.1	55%	0.552	61%	0.614	S	S	*	*	H	α-helix	trans	-78.5	-39.5	177.1	-177.8	0	0	0	0	109.7	D9 I14 L15	D9-V11 PolarHBondContact O-N 3.17Å; D9-V11 PolarHBondContact OD1-N 3.27Å; V11-I14 PolarHBondContact O-N 3.17Å; V11-L15 HydrophobicContact CG1-CD1 4.23Å; V11-L15 WeakPolarHBondContact O-CG 3.32Å; V11-L15 PolarHBondContact O-N 3.34Å
12	G	45.8	Very low	46.5	Very low	20 Å²	20	108.2 Å²	108.2	21%	0.206	58%	0.581	C	S	.	*	H	α-helix	trans	-57	-47	172.5	0	0	0	0	0	112.6	D9 I14 L15 I16	D9-G12 PolarHBondContact O-N 3.5Å; D9-G12 PolarHBondContact OD1-N 3.23Å; G12-I14 VanDerWaalsContact C-N 3.32Å; G12-I14 PolarHBondContact O-N 3.49Å; G12-L15 PolarHBondContact O-N 3.3Å; G12-I16 VanDerWaalsContact O-CG1 3.27Å; G12-I16 WeakPolarHBondContact O-CG1 3.47Å; G12-I16 PolarHBondContact O-N 3.04Å
13	S	53.3	Low	47.6	Very low	48 Å²	48	110.1 Å²	110.1	34%	0.336	57%	0.569	S	S	.	*	H	α-helix	trans	-63.8	-33.6	177.6	47.1	0	0	0	0	113.5	D9 P10 I16 Q17	D9-S13 PolarHBondContact O-N 3.09Å; D9-S13 PolarHBondContact O-OG 2.89Å; P10-S13 WeakPolarHBondContact CA-OG 3.42Å; P10-S13 PolarHBondContact O-OG 3.22Å; S13-I16 PolarHBondContact O-N 3.07Å; S13-Q17 PolarHBondContact O-N 2.91Å
14	I	54.8	Low	48.8	Very low	72 Å²	72	107.3 Å²	107.3	37%	0.369	56%	0.555	S	S	.	*	H	α-helix	trans	-74.3	-38	177.7	-68.5	166.3	0	0	0	111.2	P10 V11 G12 I16 Q17 I18	P10-I14 VanDerWaalsContact O-CD1 3.31Å; P10-I14 WeakPolarHBondContact O-CD1 3.35Å; P10-I14 VanDerWaalsContact O-CG1 3.25Å; P10-I14 WeakPolarHBondContact O-CG1 3.44Å; P10-I14 PolarHBondContact O-N 3.43Å; V11-I14 PolarHBondContact O-N 3.17Å; G12-I14 VanDerWaalsContact C-N 3.32Å; G12-I14 PolarHBondContact O-N 3.49Å; I14-I16 VanDerWaalsContact C-N 3.26Å; I14-I16 PolarHBondContact O-N 3.12Å; I14-Q17 PolarHBondContact O-N 3Å; I14-I18 HydrophobicContact CG2-CD1 3.82Å; I14-I18 HydrophobicContact CG2-CG1 4.34Å; I14-I18 WeakPolarHBondContact O-CB 3.37Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.38Å; I14-I18 PolarHBondContact O-N 3.03Å
15	L	49.4	Very low	50	Low	109 Å²	109	103.2 Å²	103.2	57%	0.571	53%	0.533	S	S	*	.	H	α-helix	trans	-65.5	-34.1	174.7	-72.2	170.6	0	0	0	111.6	V11 G12 H19	V11-L15 HydrophobicContact CG1-CD1 4.23Å; V11-L15 WeakPolarHBondContact O-CG 3.32Å; V11-L15 PolarHBondContact O-N 3.34Å; G12-L15 PolarHBondContact O-N 3.3Å; L15-H19 VanDerWaalsContact O-CB 3.29Å; L15-H19 WeakPolarHBondContact O-CB 3.34Å; L15-H19 PolarHBondContact O-N 3.41Å
16	I	54.6	Low	50.7	Low	103 Å²	103	103.4 Å²	103.4	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-44.8	172	-66.7	165.7	0	0	0	110.3	G12 S13 I14 I18 H19 E20	G12-I16 VanDerWaalsContact O-CG1 3.27Å; G12-I16 WeakPolarHBondContact O-CG1 3.47Å; G12-I16 PolarHBondContact O-N 3.04Å; S13-I16 PolarHBondContact O-N 3.07Å; I14-I16 VanDerWaalsContact C-N 3.26Å; I14-I16 PolarHBondContact O-N 3.12Å; I16-I18 PolarHBondContact O-N 3.31Å; I16-H19 WeakPolarHBondContact O-CB 3.47Å; I16-H19 PolarHBondContact O-N 2.83Å; I16-H19 VanDerWaalsContact O-N 3.13Å; I16-E20 PolarHBondContact O-N 3.47Å
17	Q	56.2	Low	51.6	Low	101 Å²	101	98.8 Å²	98.8	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-44.2	176.1	-164.6	71.6	49.2	0	0	112.3	S13 I14 H19 E20 D21	S13-Q17 PolarHBondContact O-N 2.91Å; I14-Q17 PolarHBondContact O-N 3Å; Q17-H19 VanDerWaalsContact C-N 3.26Å; Q17-H19 PolarHBondContact O-N 2.9Å; Q17-E20 PolarHBondContact O-N 3.33Å; Q17-D21 PolarHBondContact NE2-OD1 3.34Å; Q17-D21 WeakPolarHBondContact O-CB 3.19Å; Q17-D21 PolarHBondContact O-N 3.17Å
18	I	59.7	Low	52.4	Low	61 Å²	61	97.7 Å²	97.7	31%	0.313	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-37	175.2	-69.6	166.8	0	0	0	110.7	I14 I16 L22	I14-I18 HydrophobicContact CG2-CD1 3.82Å; I14-I18 HydrophobicContact CG2-CG1 4.34Å; I14-I18 WeakPolarHBondContact O-CB 3.37Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.38Å; I14-I18 PolarHBondContact O-N 3.03Å; I16-I18 PolarHBondContact O-N 3.31Å; I18-L22 HydrophobicContact CG2-CD1 3.99Å; I18-L22 WeakPolarHBondContact O-CB 3.44Å; I18-L22 VanDerWaalsContact O-CG 3.23Å; I18-L22 WeakPolarHBondContact O-CG 3.24Å; I18-L22 PolarHBondContact O-N 3Å
19	H	48.2	Very low	52.9	Low	126 Å²	126	95.4 Å²	95.4	58%	0.583	48%	0.483	S	S	*	.	H	α-helix	trans	-68	-43	176.8	-169.4	69.8	0	0	0	111.8	L15 I16 Q17 Y23	L15-H19 VanDerWaalsContact O-CB 3.29Å; L15-H19 WeakPolarHBondContact O-CB 3.34Å; L15-H19 PolarHBondContact O-N 3.41Å; I16-H19 WeakPolarHBondContact O-CB 3.47Å; I16-H19 PolarHBondContact O-N 2.83Å; I16-H19 VanDerWaalsContact O-N 3.13Å; Q17-H19 VanDerWaalsContact C-N 3.26Å; Q17-H19 PolarHBondContact O-N 2.9Å; H19-Y23 WeakPolarHBondContact O-CB 3.34Å; H19-Y23 PolarHBondContact O-N 3.36Å
20	E	56.6	Low	53	Low	105 Å²	105	95.2 Å²	95.2	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-43.4	175.1	-75.9	-172.5	167.5	0	0	112.3	I16 Q17 L22 Y23 Q24	I16-E20 PolarHBondContact O-N 3.47Å; Q17-E20 PolarHBondContact O-N 3.33Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 3.37Å; E20-Y23 WeakPolarHBondContact O-CB 3.45Å; E20-Y23 PolarHBondContact O-N 3Å; E20-Y23 VanDerWaalsContact O-N 3.09Å; E20-Q24 PolarHBondContact O-N 3.11Å
21	D	56.9	Low	53.1	Low	70 Å²	70	98.5 Å²	98.5	37%	0.374	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-40.4	177.9	-68.2	-8.7	0	0	0	111	Q17 Y23 L25	Q17-D21 PolarHBondContact NE2-OD1 3.34Å; Q17-D21 WeakPolarHBondContact O-CB 3.19Å; Q17-D21 PolarHBondContact O-N 3.17Å; D21-Y23 VanDerWaalsContact C-N 3.35Å; D21-L25 WeakPolarHBondContact O-CB 3.34Å; D21-L25 PolarHBondContact O-N 3.31Å
22	L	53.5	Low	53	Low	108 Å²	108	101.6 Å²	101.6	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-69.3	-31.8	173.5	-74.5	171.7	0	0	0	112.5	I18 E20 K26	I18-L22 HydrophobicContact CG2-CD1 3.99Å; I18-L22 WeakPolarHBondContact O-CB 3.44Å; I18-L22 VanDerWaalsContact O-CG 3.23Å; I18-L22 WeakPolarHBondContact O-CG 3.24Å; I18-L22 PolarHBondContact O-N 3Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 3.37Å; L22-K26 WeakPolarHBondContact O-CB 3.47Å; L22-K26 PolarHBondContact O-N 3.13Å
23	Y	49.8	Very low	52.9	Low	140 Å²	140	104.4 Å²	104.4	55%	0.549	52%	0.515	S	S	.	.	H	α-helix	trans	-72.2	-41.8	177	-157.1	-82.2	0	0	0	111.5	H19 E20 D21 K26 E27	H19-Y23 WeakPolarHBondContact O-CB 3.34Å; H19-Y23 PolarHBondContact O-N 3.36Å; E20-Y23 WeakPolarHBondContact O-CB 3.45Å; E20-Y23 PolarHBondContact O-N 3Å; E20-Y23 VanDerWaalsContact O-N 3.09Å; D21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-K26 WeakPolarHBondContact O-CB 3.29Å; Y23-K26 PolarHBondContact O-N 3.3Å; Y23-E27 HydrophobicContact CD1-CG 4.34Å; Y23-E27 HydrophobicContact CE1-CG 4.32Å; Y23-E27 PolarHBondContact O-N 3.13Å
24	Q	56.7	Low	52.6	Low	134 Å²	134	107.8 Å²	107.8	63%	0.626	54%	0.536	S	S	*	.	H	α-helix	trans	-62	-43.4	171.5	-81.9	-173.5	-8.7	0	0	111.5	E20 K26 E27 E28	E20-Q24 PolarHBondContact O-N 3.11Å; Q24-K26 PolarHBondContact O-N 3.35Å; Q24-E27 WeakPolarHBondContact O-CB 3.41Å; Q24-E27 PolarHBondContact O-N 3.34Å; Q24-E28 WeakPolarHBondContact O-CG 3.41Å; Q24-E28 PolarHBondContact O-N 2.66Å
25	L	56.3	Low	51.9	Low	74 Å²	74	113 Å²	113	39%	0.387	56%	0.559	S	S	.	*	H	α-helix	trans	-60.4	-37.4	176	-159.1	105.3	0	0	0	111.9	D21 L29	D21-L25 WeakPolarHBondContact O-CB 3.34Å; D21-L25 PolarHBondContact O-N 3.31Å; L25-L29 HydrophobicContact CD2-CD1 4.24Å; L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 WeakPolarHBondContact O-CD1 3.49Å; L25-L29 VanDerWaalsContact O-CG 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 2.91Å; L25-L29 VanDerWaalsContact O-N 3.09Å
26	K	48	Very low	51.5	Low	132 Å²	132	116 Å²	116	57%	0.574	57%	0.57	S	S	*	*	H	α-helix	trans	-68.8	-43.3	175.1	-173.4	-176	176.1	-171.3	0	111.7	L22 Y23 Q24 L29 T30	L22-K26 WeakPolarHBondContact O-CB 3.47Å; L22-K26 PolarHBondContact O-N 3.13Å; Y23-K26 WeakPolarHBondContact O-CB 3.29Å; Y23-K26 PolarHBondContact O-N 3.3Å; Q24-K26 PolarHBondContact O-N 3.35Å; K26-L29 PolarHBondContact O-N 3.27Å; K26-T30 WeakPolarHBondContact O-CG2 3.4Å; K26-T30 PolarHBondContact O-N 3.17Å; K26-T30 PolarHBondContact O-OG1 2.94Å
27	E	52.9	Low	51.1	Low	87 Å²	87	120.6 Å²	120.6	41%	0.407	59%	0.586	S	S	.	*	H	α-helix	trans	-58.7	-45.1	174.5	-93.5	-113.3	154.3	0	0	111.9	Y23 Q24 T30 K31	Y23-E27 HydrophobicContact CD1-CG 4.34Å; Y23-E27 HydrophobicContact CE1-CG 4.32Å; Y23-E27 PolarHBondContact O-N 3.13Å; Q24-E27 WeakPolarHBondContact O-CB 3.41Å; Q24-E27 PolarHBondContact O-N 3.34Å; E27-T30 VanDerWaalsContact CA-OG1 3.28Å; E27-T30 WeakPolarHBondContact CA-OG1 3.5Å; E27-T30 PolarHBondContact O-N 2.77Å; E27-T30 PolarHBondContact O-OG1 3.39Å; E27-K31 WeakPolarHBondContact O-CG 3.36Å; E27-K31 PolarHBondContact O-N 3.45Å; E27-K31 VanDerWaalsContact O-N 3.14Å; E27-K31 WeakPolarHBondContact OE2-CE 3.43Å; E27-K31 IonicContact OE2-NZ 3.65Å; E27-K31 PolarHBondContact OE2-NZ 2.87Å
28	E	56.6	Low	50.3	Low	141 Å²	141	127.4 Å²	127.4	66%	0.659	61%	0.607	S	S	*	*	H	α-helix	trans	-65.6	-39.4	177.6	-68.7	-142.5	153	0	0	112.2	Q24 T30 K31 F32	Q24-E28 WeakPolarHBondContact O-CG 3.41Å; Q24-E28 PolarHBondContact O-N 2.66Å; E28-T30 VanDerWaalsContact C-N 3.3Å; E28-T30 PolarHBondContact O-N 3Å; E28-K31 PolarHBondContact O-N 3.12Å; E28-F32 VanDerWaalsContact O-CD2 3.26Å; E28-F32 WeakPolarHBondContact O-CD2 3.48Å
29	L	52.8	Low	49.4	Very low	101 Å²	101	133.4 Å²	133.4	53%	0.529	63%	0.634	S	S	.	*	H	α-helix	trans	-66.8	-29.4	173.9	-75.7	165.9	0	0	0	112.9	L25 K26	L25-L29 HydrophobicContact CD2-CD1 4.24Å; L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 WeakPolarHBondContact O-CD1 3.49Å; L25-L29 VanDerWaalsContact O-CG 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 2.91Å; L25-L29 VanDerWaalsContact O-N 3.09Å; K26-L29 PolarHBondContact O-N 3.27Å
30	T	48.5	Very low	49.4	Very low	98 Å²	98	133.6 Å²	133.6	60%	0.601	64%	0.644	S	S	*	*	H	α-helix	trans	-83.6	-15.5	178.8	49.7	0	0	0	0	114.7	K26 E27 E28 F32	K26-T30 WeakPolarHBondContact O-CG2 3.4Å; K26-T30 PolarHBondContact O-N 3.17Å; K26-T30 PolarHBondContact O-OG1 2.94Å; E27-T30 VanDerWaalsContact CA-OG1 3.28Å; E27-T30 WeakPolarHBondContact CA-OG1 3.5Å; E27-T30 PolarHBondContact O-N 2.77Å; E27-T30 PolarHBondContact O-OG1 3.39Å; E28-T30 VanDerWaalsContact C-N 3.3Å; E28-T30 PolarHBondContact O-N 3Å; T30-F32 VanDerWaalsContact C-N 3.33Å
31	K	54.4	Low	49.1	Very low	148 Å²	148	134.8 Å²	134.8	64%	0.643	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-3.6	177.5	-76.4	173.1	-173.2	161	0	113.9	E27 E28 S33	E27-K31 WeakPolarHBondContact O-CG 3.36Å; E27-K31 PolarHBondContact O-N 3.45Å; E27-K31 VanDerWaalsContact O-N 3.14Å; E27-K31 WeakPolarHBondContact OE2-CE 3.43Å; E27-K31 IonicContact OE2-NZ 3.65Å; E27-K31 PolarHBondContact OE2-NZ 2.87Å; E28-K31 PolarHBondContact O-N 3.12Å; K31-S33 PolarHBondContact O-N 3.36Å
32	F	48.5	Very low	48.9	Very low	155 Å²	155	135.9 Å²	135.9	68%	0.68	66%	0.659	S	S	*	*			trans	-76.4	111.2	171.9	-78.9	-84.1	0	0	0	110.8	E28 T30	E28-F32 VanDerWaalsContact O-CD2 3.26Å; E28-F32 WeakPolarHBondContact O-CD2 3.48Å; T30-F32 VanDerWaalsContact C-N 3.33Å
33	S	43.4	Very low	49	Very low	80 Å²	80	136.3 Å²	136.3	56%	0.559	66%	0.661	S	S	*	*			trans	-77.7	160.1	171.4	66	0	0	0	0	111.4	K31 E35	K31-S33 PolarHBondContact O-N 3.36Å; S33-E35 VanDerWaalsContact C-N 3.25Å; S33-E35 PolarHBondContact O-N 3.39Å
34	P	45.9	Very low	49	Very low	119 Å²	119	138.9 Å²	138.9	77%	0.773	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-3.9	-169.7	-13.6	29.5	0	0	0	115.7
35	E	40.6	Very low	48.9	Very low	182 Å²	182	135.9 Å²	135.9	85%	0.85	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-5.9	-165.2	-72.4	-176.7	158.6	0	0	115.6	S33	S33-E35 VanDerWaalsContact C-N 3.25Å; S33-E35 PolarHBondContact O-N 3.39Å
36	E	41.9	Very low	48.7	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.804	67%	0.668	S	S	*	*			trans	-114	57	175.5	-71.5	-177.8	164.2	0	0	112.1	R38	E36-R38 PolarHBondContact O-N 3.07Å
37	K	44.8	Very low	48.9	Very low	198 Å²	198	135.1 Å²	135.1	86%	0.861	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	69.2	165.7	-78.7	-176.4	178.6	174.1	0	110.6
38	R	40.1	Very low	49.5	Very low	244 Å²	244	134.3 Å²	134.3	92%	0.921	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.3	-2.8	160.9	-117.5	174.6	-163.4	-172.1	4.8	118.1	E36	E36-R38 PolarHBondContact O-N 3.07Å
39	E	40.8	Very low	49.7	Very low	187 Å²	187	129.6 Å²	129.6	87%	0.874	65%	0.649	S	S	*	*	S	Bend	trans	-104.7	124.7	168	-71	-167.3	162.3	0	0	111.4	L41	E39-L41 PolarHBondContact O-N 3.32Å
40	T	47.9	Very low	50	Low	130 Å²	130	129.1 Å²	129.1	80%	0.798	65%	0.646	S	S	*	*			trans	-55.2	127.6	-179.2	43.2	0	0	0	0	111	D42	T40-D42 PolarHBondContact O-N 3.5Å
41	L	50.1	Low	50.4	Low	131 Å²	131	130.4 Å²	130.4	69%	0.686	64%	0.643	S	S	*	*			trans	-40.9	113.1	156.4	-92.2	145.2	0	0	0	108.2	E39 I43	E39-L41 PolarHBondContact O-N 3.32Å; L41-I43 VanDerWaalsContact C-N 3.26Å; L41-I43 PolarHBondContact O-N 3.21Å
42	D	54.4	Low	50.9	Low	92 Å²	92	132.7 Å²	132.7	49%	0.492	65%	0.647	S	S	.	*			trans	-71.9	87.8	-179	-173.2	11.2	0	0	0	108.8	T40 R44 S45	T40-D42 PolarHBondContact O-N 3.5Å; D42-R44 PolarHBondContact O-N 2.95Å; D42-R44 VanDerWaalsContact OD1-CB 3.29Å; D42-R44 WeakPolarHBondContact OD1-CB 3.25Å; D42-R44 PolarHBondContact OD1-N 2.84Å; D42-S45 PolarHBondContact O-N 3.35Å; D42-S45 PolarHBondContact O-OG 3.43Å
43	I	54	Low	51.5	Low	118 Å²	118	128.5 Å²	128.5	61%	0.605	64%	0.635	S	S	*	*	H	α-helix	trans	-52	-24.5	178.5	-66.9	161.9	0	0	0	110.8	L41 E47	L41-I43 VanDerWaalsContact C-N 3.26Å; L41-I43 PolarHBondContact O-N 3.21Å; I43-E47 HydrophobicContact CG2-CG 4.35Å; I43-E47 WeakPolarHBondContact O-CB 3.38Å; I43-E47 WeakPolarHBondContact O-CG 3.43Å; I43-E47 PolarHBondContact O-N 3.27Å
44	R	50.3	Low	52	Low	193 Å²	193	130.7 Å²	130.7	73%	0.728	64%	0.636	S	S	*	*	H	α-helix	trans	-69.8	-37.8	176.9	-64.2	-179.1	168.2	-178.6	-0.9	112.9	D42 L46 E47 T48	D42-R44 PolarHBondContact O-N 2.95Å; D42-R44 VanDerWaalsContact OD1-CB 3.29Å; D42-R44 WeakPolarHBondContact OD1-CB 3.25Å; D42-R44 PolarHBondContact OD1-N 2.84Å; R44-L46 VanDerWaalsContact C-N 3.32Å; R44-E47 PolarHBondContact O-N 3.47Å; R44-T48 VanDerWaalsContact O-CB 3.26Å; R44-T48 WeakPolarHBondContact O-CB 3.2Å; R44-T48 PolarHBondContact O-N 3.19Å; R44-T48 PolarHBondContact O-OG1 3.44Å
45	S	55.8	Low	52.7	Low	71 Å²	71	130.2 Å²	130.2	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-67.5	-38.5	177.7	61.2	0	0	0	0	110.6	D42 T48 A49	D42-S45 PolarHBondContact O-N 3.35Å; D42-S45 PolarHBondContact O-OG 3.43Å; S45-T48 PolarHBondContact O-N 3.09Å; S45-A49 PolarHBondContact O-N 3.39Å
46	L	51.6	Low	53.7	Low	92 Å²	92	123.5 Å²	123.5	48%	0.482	60%	0.604	S	S	.	*	H	α-helix	trans	-64.1	-46.7	173.9	-153.5	95.4	0	0	0	112.5	R44 T48 A49 I50	R44-L46 VanDerWaalsContact C-N 3.32Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.42Å; L46-A49 PolarHBondContact O-N 3.06Å; L46-I50 HydrophobicContact CD2-CD1 4.49Å; L46-I50 WeakPolarHBondContact O-CG1 3.43Å; L46-I50 PolarHBondContact O-N 3.03Å; L46-I50 VanDerWaalsContact O-N 3.1Å
47	E	51.2	Low	54.5	Low	99 Å²	99	119.7 Å²	119.7	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-63.8	-33	174.6	-79.2	-171.4	177.5	0	0	112.4	I43 R44 K51	I43-E47 HydrophobicContact CG2-CG 4.35Å; I43-E47 WeakPolarHBondContact O-CB 3.38Å; I43-E47 WeakPolarHBondContact O-CG 3.43Å; I43-E47 PolarHBondContact O-N 3.27Å; R44-E47 PolarHBondContact O-N 3.47Å; E47-K51 WeakPolarHBondContact O-CB 3.45Å; E47-K51 VanDerWaalsContact O-CG 3.28Å; E47-K51 WeakPolarHBondContact O-CG 3.29Å; E47-K51 PolarHBondContact O-N 2.99Å; E47-K51 IonicContact OE2-NZ 3.74Å
48	T	65	Low	55	Low	69 Å²	69	116.2 Å²	116.2	42%	0.423	57%	0.574	S	S	.	*	H	α-helix	trans	-72.9	-38.5	179.5	-55.7	0	0	0	0	111.4	R44 S45 L46 R52	R44-T48 VanDerWaalsContact O-CB 3.26Å; R44-T48 WeakPolarHBondContact O-CB 3.2Å; R44-T48 PolarHBondContact O-N 3.19Å; R44-T48 PolarHBondContact O-OG1 3.44Å; S45-T48 PolarHBondContact O-N 3.09Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.42Å; T48-R52 WeakPolarHBondContact O-CB 3.5Å; T48-R52 PolarHBondContact O-N 3.04Å
49	A	61	Low	56.1	Low	43 Å²	43	108.8 Å²	108.8	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-62	-50.1	172.9	0	0	0	0	0	111	S45 L46 K51 R52 T53	S45-A49 PolarHBondContact O-N 3.39Å; L46-A49 PolarHBondContact O-N 3.06Å; A49-K51 PolarHBondContact O-N 3.23Å; A49-R52 PolarHBondContact O-N 3.12Å; A49-R52 VanDerWaalsContact O-N 3.15Å; A49-T53 PolarHBondContact O-N 2.97Å; A49-T53 PolarHBondContact O-OG1 3.3Å
50	I	58.9	Low	56.9	Low	91 Å²	91	105 Å²	105	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-59	-45	177.8	-66.7	167.8	0	0	0	111.3	L46 R52 T53 E54	L46-I50 HydrophobicContact CD2-CD1 4.49Å; L46-I50 WeakPolarHBondContact O-CG1 3.43Å; L46-I50 PolarHBondContact O-N 3.03Å; L46-I50 VanDerWaalsContact O-N 3.1Å; I50-R52 PolarHBondContact O-N 3.5Å; I50-T53 PolarHBondContact O-N 2.98Å; I50-E54 HydrophobicContact CG2-CG 4.49Å; I50-E54 WeakPolarHBondContact O-CG 3.33Å; I50-E54 PolarHBondContact O-N 2.85Å
51	K	58.3	Low	57.2	Low	125 Å²	125	103.2 Å²	103.2	54%	0.543	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-37.5	177.5	-79.7	173	-178.9	161.2	0	112.9	E47 A49 M55	E47-K51 WeakPolarHBondContact O-CB 3.45Å; E47-K51 VanDerWaalsContact O-CG 3.28Å; E47-K51 WeakPolarHBondContact O-CG 3.29Å; E47-K51 PolarHBondContact O-N 2.99Å; E47-K51 IonicContact OE2-NZ 3.74Å; A49-K51 PolarHBondContact O-N 3.23Å; K51-M55 WeakPolarHBondContact O-CB 3.43Å; K51-M55 PolarHBondContact O-N 3.21Å
52	R	65.2	Low	57.4	Low	195 Å²	195	102.2 Å²	102.2	74%	0.736	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-43.3	174.1	-88.6	-178.2	172.5	155.1	-1.5	111.1	T48 A49 I50 M55 G56	T48-R52 WeakPolarHBondContact O-CB 3.5Å; T48-R52 PolarHBondContact O-N 3.04Å; A49-R52 PolarHBondContact O-N 3.12Å; A49-R52 VanDerWaalsContact O-N 3.15Å; I50-R52 PolarHBondContact O-N 3.5Å; R52-M55 PolarHBondContact O-N 3.38Å; R52-G56 PolarHBondContact O-N 3.32Å
53	T	60.5	Low	57.6	Low	68 Å²	68	103.9 Å²	103.9	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-43.6	177.9	-43.6	0	0	0	0	111.8	A49 I50 M55 G56 L57	A49-T53 PolarHBondContact O-N 2.97Å; A49-T53 PolarHBondContact O-OG1 3.3Å; I50-T53 PolarHBondContact O-N 2.98Å; T53-M55 PolarHBondContact O-N 2.89Å; T53-G56 PolarHBondContact O-N 2.93Å; T53-L57 HydrophobicContact CG2-CD1 4.46Å; T53-L57 PolarHBondContact O-N 2.83Å
54	E	53.7	Low	57.5	Low	125 Å²	125	105.3 Å²	105.3	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-41.5	175.3	-76.6	-172.9	155.4	0	0	112.3	I50 L57 K58	I50-E54 HydrophobicContact CG2-CG 4.49Å; I50-E54 WeakPolarHBondContact O-CG 3.33Å; I50-E54 PolarHBondContact O-N 2.85Å; E54-L57 PolarHBondContact O-N 2.66Å; E54-K58 WeakPolarHBondContact O-CB 3.5Å; E54-K58 PolarHBondContact O-N 2.74Å
55	M	60.6	Low	57.3	Low	109 Å²	109	100.4 Å²	100.4	54%	0.537	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-41.3	177.4	-167.8	69.5	76.3	0	0	111.7	K51 R52 T53 K58 I59	K51-M55 WeakPolarHBondContact O-CB 3.43Å; K51-M55 PolarHBondContact O-N 3.21Å; R52-M55 PolarHBondContact O-N 3.38Å; T53-M55 PolarHBondContact O-N 2.89Å; M55-K58 PolarHBondContact O-N 3.13Å; M55-I59 HydrophobicContact CG-CD1 3.92Å; M55-I59 HydrophobicContact CG-CG1 4.49Å; M55-I59 WeakPolarHBondContact O-CG1 3.44Å; M55-I59 PolarHBondContact O-N 2.83Å
56	G	62.1	Low	57	Low	41 Å²	41	101.7 Å²	101.7	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-60.1	-45.3	176	0	0	0	0	0	112.4	R52 T53 H60	R52-G56 PolarHBondContact O-N 3.32Å; T53-G56 PolarHBondContact O-N 2.93Å; G56-H60 PolarHBondContact O-N 3.15Å
57	L	57.8	Low	56.9	Low	92 Å²	92	101 Å²	101	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-44.8	174	-85	159	0	0	0	112	T53 E54 H60 I61	T53-L57 HydrophobicContact CG2-CD1 4.46Å; T53-L57 PolarHBondContact O-N 2.83Å; E54-L57 PolarHBondContact O-N 2.66Å; L57-H60 PolarHBondContact O-N 2.95Å; L57-I61 WeakPolarHBondContact O-CB 3.18Å; L57-I61 WeakPolarHBondContact O-CD1 3.01Å; L57-I61 WeakPolarHBondContact O-CG1 3.31Å; L57-I61 PolarHBondContact O-N 2.83Å
58	K	55.3	Low	56.6	Low	126 Å²	126	99.1 Å²	99.1	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-47.7	-178.2	-169.3	-177.2	176.9	-171.5	0	112.7	E54 M55 H60 I61 E62	E54-K58 WeakPolarHBondContact O-CB 3.5Å; E54-K58 PolarHBondContact O-N 2.74Å; M55-K58 PolarHBondContact O-N 3.13Å; K58-H60 VanDerWaalsContact C-N 3.3Å; K58-H60 PolarHBondContact O-N 3.42Å; K58-I61 PolarHBondContact O-N 2.8Å; K58-E62 PolarHBondContact O-N 2.98Å
59	I	64.1	Low	55.4	Low	88 Å²	88	100.7 Å²	100.7	45%	0.451	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-38.7	179.8	-67.3	168.3	0	0	0	110.8	M55 K63	M55-I59 HydrophobicContact CG-CD1 3.92Å; M55-I59 HydrophobicContact CG-CG1 4.49Å; M55-I59 WeakPolarHBondContact O-CG1 3.44Å; M55-I59 PolarHBondContact O-N 2.83Å; I59-K63 PolarHBondContact O-N 3.27Å
60	H	58.1	Low	54.3	Low	106 Å²	106	105.5 Å²	105.5	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-78.3	-31	179.9	-102.7	70.9	0	0	0	113.8	G56 L57 K58 E62 K63 Y64	G56-H60 PolarHBondContact O-N 3.15Å; L57-H60 PolarHBondContact O-N 2.95Å; K58-H60 VanDerWaalsContact C-N 3.3Å; K58-H60 PolarHBondContact O-N 3.42Å; H60-E62 VanDerWaalsContact C-N 3.34Å; H60-K63 PolarHBondContact O-N 2.83Å; H60-Y64 WeakPolarHBondContact O-CB 3.4Å; H60-Y64 PolarHBondContact O-N 3.5Å
61	I	53.1	Low	53.4	Low	94 Å²	94	107.5 Å²	107.5	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-41.4	169.7	-71.8	165	0	0	0	110.3	L57 K58 Y64 L65	L57-I61 WeakPolarHBondContact O-CB 3.18Å; L57-I61 WeakPolarHBondContact O-CD1 3.01Å; L57-I61 WeakPolarHBondContact O-CG1 3.31Å; L57-I61 PolarHBondContact O-N 2.83Å; K58-I61 PolarHBondContact O-N 2.8Å; I61-Y64 PolarHBondContact O-N 2.81Å; I61-L65 HydrophobicContact CG2-CD1 3.83Å; I61-L65 WeakPolarHBondContact O-CB 3.18Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.16Å; I61-L65 PolarHBondContact O-N 2.66Å
62	E	54.2	Low	52.5	Low	109 Å²	109	106.8 Å²	106.8	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-41.7	173	-80.6	177.1	174.5	0	0	112.2	K58 H60 L65 N66	K58-E62 PolarHBondContact O-N 2.98Å; H60-E62 VanDerWaalsContact C-N 3.34Å; E62-L65 PolarHBondContact O-N 2.81Å; E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 3.26Å
63	K	58	Low	51.4	Low	128 Å²	128	104.3 Å²	104.3	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-61.9	-44.1	173.4	-110	-179.9	177	-178.8	0	112.3	I59 H60 N66 V67	I59-K63 PolarHBondContact O-N 3.27Å; H60-K63 PolarHBondContact O-N 2.83Å; K63-N66 PolarHBondContact O-N 3.42Å; K63-V67 WeakPolarHBondContact O-CG2 3.44Å; K63-V67 PolarHBondContact O-N 3.16Å
64	Y	52.1	Low	50	Low	148 Å²	148	107.8 Å²	107.8	58%	0.58	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-44.2	177.3	-178.3	-98	0	0	0	111.4	H60 I61 N66 V67 V68	H60-Y64 WeakPolarHBondContact O-CB 3.4Å; H60-Y64 PolarHBondContact O-N 3.5Å; I61-Y64 PolarHBondContact O-N 2.81Å; Y64-N66 VanDerWaalsContact C-N 3.32Å; Y64-N66 PolarHBondContact O-N 3.2Å; Y64-V67 PolarHBondContact O-N 3.15Å; Y64-V68 HydrophobicContact CD1-CG2 4.14Å; Y64-V68 HydrophobicContact CE1-CG2 3.8Å; Y64-V68 HydrophobicContact CE2-CG2 4.3Å; Y64-V68 WeakPolarHBondContact O-CB 3.47Å; Y64-V68 VanDerWaalsContact O-CG2 3.24Å; Y64-V68 WeakPolarHBondContact O-CG2 3.46Å; Y64-V68 PolarHBondContact O-N 2.92Å
65	L	47.6	Very low	48.7	Very low	90 Å²	90	108.7 Å²	108.7	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-38.2	174.5	-78	164.3	0	0	0	111.9	I61 E62 N69	I61-L65 HydrophobicContact CG2-CD1 3.83Å; I61-L65 WeakPolarHBondContact O-CB 3.18Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.16Å; I61-L65 PolarHBondContact O-N 2.66Å; E62-L65 PolarHBondContact O-N 2.81Å; L65-N69 VanDerWaalsContact O-CB 3.28Å; L65-N69 WeakPolarHBondContact O-CB 3.32Å; L65-N69 VanDerWaalsContact O-CG 3.28Å; L65-N69 PolarHBondContact O-N 2.82Å; L65-N69 PolarHBondContact O-ND2 2.97Å
66	N	48.1	Very low	47.2	Very low	97 Å²	97	108.3 Å²	108.3	52%	0.519	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-41.2	174.7	-89.8	-19.5	0	0	0	112.7	E62 K63 Y64 N69 Q70	E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 3.26Å; K63-N66 PolarHBondContact O-N 3.42Å; Y64-N66 VanDerWaalsContact C-N 3.32Å; Y64-N66 PolarHBondContact O-N 3.2Å; N66-N69 PolarHBondContact O-N 2.99Å; N66-Q70 WeakPolarHBondContact O-CB 3.27Å; N66-Q70 VanDerWaalsContact O-CG 3.29Å; N66-Q70 WeakPolarHBondContact O-CG 3.22Å; N66-Q70 PolarHBondContact O-N 3.09Å
67	V	51	Low	45.8	Very low	77 Å²	77	111.9 Å²	111.9	47%	0.467	60%	0.598	S	S	.	*	H	α-helix	trans	-66	-40.4	175.4	171	0	0	0	0	111.2	K63 Y64 Q70 N71	K63-V67 WeakPolarHBondContact O-CG2 3.44Å; K63-V67 PolarHBondContact O-N 3.16Å; Y64-V67 PolarHBondContact O-N 3.15Å; V67-Q70 PolarHBondContact O-N 2.73Å; V67-N71 WeakPolarHBondContact O-CB 3.41Å; V67-N71 VanDerWaalsContact O-CG 3.26Å; V67-N71 PolarHBondContact O-N 2.91Å; V67-N71 VanDerWaalsContact O-N 3.09Å; V67-N71 PolarHBondContact O-ND2 3Å; V67-N71 VanDerWaalsContact O-ND2 3.15Å
68	V	43.5	Very low	44.3	Very low	60 Å²	60	115.3 Å²	115.3	36%	0.364	62%	0.617	S	S	.	*	H	α-helix	trans	-66.4	-38	175.8	171.8	0	0	0	0	111.3	Y64 V72	Y64-V68 HydrophobicContact CD1-CG2 4.14Å; Y64-V68 HydrophobicContact CE1-CG2 3.8Å; Y64-V68 HydrophobicContact CE2-CG2 4.3Å; Y64-V68 WeakPolarHBondContact O-CB 3.47Å; Y64-V68 VanDerWaalsContact O-CG2 3.24Å; Y64-V68 WeakPolarHBondContact O-CG2 3.46Å; Y64-V68 PolarHBondContact O-N 2.92Å; V68-V72 WeakPolarHBondContact O-CG2 3.29Å
69	N	39.5	Very low	43.1	Very low	103 Å²	103	116 Å²	116	55%	0.551	63%	0.626	S	S	*	*	H	α-helix	trans	-74.8	-34.7	176.7	-78.3	-21.5	0	0	0	113.3	L65 N66 N71 V72	L65-N69 VanDerWaalsContact O-CB 3.28Å; L65-N69 WeakPolarHBondContact O-CB 3.32Å; L65-N69 VanDerWaalsContact O-CG 3.28Å; L65-N69 PolarHBondContact O-N 2.82Å; L65-N69 PolarHBondContact O-ND2 2.97Å; N66-N69 PolarHBondContact O-N 2.99Å; N69-N71 VanDerWaalsContact C-N 3.34Å; N69-V72 PolarHBondContact O-N 2.98Å
70	Q	39.6	Very low	41.3	Very low	143 Å²	143	119.7 Å²	119.7	67%	0.668	64%	0.642	S	S	*	*	H	α-helix	trans	-71.1	-28.4	176	-76.1	180	-10.7	0	0	112.5	N66 V67 V72	N66-Q70 WeakPolarHBondContact O-CB 3.27Å; N66-Q70 VanDerWaalsContact O-CG 3.29Å; N66-Q70 WeakPolarHBondContact O-CG 3.22Å; N66-Q70 PolarHBondContact O-N 3.09Å; V67-Q70 PolarHBondContact O-N 2.73Å; Q70-V72 PolarHBondContact O-N 2.98Å
71	N	39.6	Very low	39.8	Very low	134 Å²	134	120.4 Å²	120.4	72%	0.717	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-2.9	173.2	-72.6	-27.8	0	0	0	114.2	V67 N69	V67-N71 WeakPolarHBondContact O-CB 3.41Å; V67-N71 VanDerWaalsContact O-CG 3.26Å; V67-N71 PolarHBondContact O-N 2.91Å; V67-N71 VanDerWaalsContact O-N 3.09Å; V67-N71 PolarHBondContact O-ND2 3Å; V67-N71 VanDerWaalsContact O-ND2 3.15Å; N69-N71 VanDerWaalsContact C-N 3.34Å
72	V	39.1	Very low	38.6	Very low	110 Å²	110	121.3 Å²	121.3	67%	0.667	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-2.4	-178.9	172.2	0	0	0	0	112.9	V68 N69 Q70	V68-V72 WeakPolarHBondContact O-CG2 3.29Å; N69-V72 PolarHBondContact O-N 2.98Å; Q70-V72 PolarHBondContact O-N 2.98Å
73	L	42.3	Very low	37.2	Very low	143 Å²	143	126 Å²	126	75%	0.749	67%	0.669	S	S	*	*	S	Bend	trans	-135.2	89.6	177.1	-78.1	164	0	0	0	111.6
74	T	30.4	Very low	35.8	Very low	141 Å²	141	125.8 Å²	125.8	87%	0.865	68%	0.678	S	S	*	*			trans	174.7	108	131.6	43.8	0	0	0	0	110.3
75	T	27.2	Very low	35.1	Very low	143 Å²	143	124.1 Å²	124.1	88%	0.877	69%	0.686	S	S	*	*			trans	-129.1	114.6	139.4	43.7	0	0	0	0	106.7
76	A	28	Very low	34	Very low	101 Å²	101	128.6 Å²	128.6	84%	0.835	70%	0.704	S	S	*	*			trans	-66.5	144.4	173	0	0	0	0	0	110.4
77	V	33	Very low	32.9	Very low	117 Å²	117	128.4 Å²	128.4	71%	0.709	72%	0.716	S	S	*	*			trans	-73.9	136.5	171	174.6	0	0	0	0	108.9
78	N	27	Very low	31.7	Very low	163 Å²	163	130.4 Å²	130.4	87%	0.872	73%	0.733	S	S	*	*			trans	-155.6	133.4	137.8	-95.1	-11.7	0	0	0	109.4
79	D	29.7	Very low	31	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	75%	0.752	S	S	*	*			trans	-67.9	144	-170.5	-71.1	-57.7	0	0	0	114.3
80	E	27.2	Very low	30.2	Very low	166 Å²	166	143.4 Å²	143.4	78%	0.776	77%	0.773	S	S	*	*				170.2	135.1	97.4	-91.9	-153.9	172.6	0	0	112.1
81	N	25.7	Very low	29.6	Very low	120 Å²	120	142.6 Å²	142.6	64%	0.642	77%	0.773	S	S	*	*			trans	78.9	114.9	143.6	-76.1	-36.6	0	0	0	123
82	L	27.3	Very low	28.9	Very low	113 Å²	113	142.9 Å²	142.9	59%	0.592	77%	0.774	S	S	*	*			trans	98.5	118.3	133.4	-64.6	166.6	0	0	0	121.9
83	Y	25.9	Very low	28.4	Very low	209 Å²	209	143.4 Å²	143.4	82%	0.82	78%	0.779	S	S	*	*			trans	70.4	126.2	143.7	-80.7	-90.3	0	0	0	123.4
84	T	28.5	Very low	27.7	Very low	122 Å²	122	142.6 Å²	142.6	75%	0.748	78%	0.78	S	S	*	*			trans	-68.4	159.1	161	51.6	0	0	0	0	112.7
85	P	36	Very low	27.4	Very low	114 Å²	114	142 Å²	142	74%	0.74	78%	0.776	S	S	*	*				-155.3	156.4	83.5	38.6	-17	0	0	0	119.6
86	Q	25.2	Very low	27.3	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	78%	0.777	S	S	*	*			trans	52.4	127	139.6	-82.7	177.2	-25.1	0	0	125.9
87	A	26.3	Very low	27.1	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	77%	0.772	S	S	*	*			trans	67.5	133	131.7	0	0	0	0	0	119.9
88	S	24.5	Very low	26.8	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	78%	0.78	S	S	*	*				-173.1	156.1	67.5	39.5	0	0	0	0	113.5
89	K	28.2	Very low	26.8	Very low	174 Å²	174	150.1 Å²	150.1	76%	0.757	78%	0.779	S	S	*	*			trans	-67.3	154.6	-178.1	-67.4	168.6	172.3	174.7	0	114.1
90	W	23.7	Very low	26.6	Very low	262 Å²	262	148.2 Å²	148.2	99%	0.992	78%	0.777	S	S	*	*			trans	-146	152	137.3	-83.3	95	0	0	0	110.2
91	L	26.7	Very low	26.4	Very low	127 Å²	127	150.6 Å²	150.6	67%	0.665	79%	0.785	S	S	*	*			trans	-131.1	156.9	-146.8	-111.3	167.8	0	0	0	112.5
92	L	24.6	Very low	26.3	Very low	140 Å²	140	151.5 Å²	151.5	73%	0.733	79%	0.789	S	S	*	*			trans	84.1	159.4	146.8	-66.6	164.1	0	0	0	121.3
93	P	29.4	Very low	26	Very low	120 Å²	120	155.4 Å²	155.4	78%	0.779	80%	0.801	S	S	*	*			cis	-131.3	164	-1.8	23.9	-0.2	0	0	0	116.8
94	T	26.6	Very low	26	Very low	126 Å²	126	150.8 Å²	150.8	77%	0.773	80%	0.797	S	S	*	*			trans	-116.6	148.8	163.7	28.9	0	0	0	0	109.2
95	V	24.7	Very low	26	Very low	130 Å²	130	154.2 Å²	154.2	79%	0.788	80%	0.804	S	S	*	*			trans	172.1	126.1	132.7	163.3	0	0	0	0	109.3
96	I	24.2	Very low	25.4	Very low	174 Å²	174	157.3 Å²	157.3	89%	0.892	81%	0.809	S	S	*	*				-143.7	136.3	128.2	-62.1	-169.7	0	0	0	107.4
97	D	25.6	Very low	25.3	Very low	136 Å²	136	154.1 Å²	154.1	73%	0.727	81%	0.806	S	S	*	*			trans	-85.4	149.5	-166.6	-166.2	18	0	0	0	113.6
98	Q	26.6	Very low	25.2	Very low	186 Å²	186	159.3 Å²	159.3	87%	0.869	82%	0.815	S	S	*	*			trans	-115.9	120	175.3	-91.9	-174.5	-19.8	0	0	109.7
99	K	25.6	Very low	25.2	Very low	197 Å²	197	157 Å²	157	86%	0.857	81%	0.81	S	S	*	*			trans	-87.3	144.9	165.9	-83.1	-175.3	176.7	179.8	0	111.8
100	S	26.7	Very low	25.1	Very low	102 Å²	102	158.9 Å²	158.9	71%	0.713	82%	0.818	S	S	*	*			trans	-60.1	145.3	-176.6	50.7	0	0	0	0	117
101	F	22.5	Very low	25.1	Very low	215 Å²	215	153.3 Å²	153.3	94%	0.943	81%	0.807	S	S	*	*			trans	-137.2	129.9	149.5	-90.6	-86.5	0	0	0	109.3
102	I	24	Very low	24.9	Very low	140 Å²	140	158.9 Å²	158.9	72%	0.718	82%	0.819	S	S	*	*			trans	-115.8	146.7	173.8	-69	172.2	0	0	0	107.6
103	F	21	Very low	24.8	Very low	195 Å²	195	159.8 Å²	159.8	86%	0.855	82%	0.82	S	S	*	*			trans	147.2	156.2	142.3	-84.7	-68	0	0	0	110.3
104	P	25.2	Very low	24.4	Very low	112 Å²	112	159.8 Å²	159.8	73%	0.727	82%	0.822	S	S	*	*			cis	-126.1	175	-21.7	34.1	-15.1	0	0	0	112.7
105	Q	28.3	Very low	24.2	Very low	194 Å²	194	163 Å²	163	91%	0.907	83%	0.829	S	S	*	*			trans	-93.2	125.6	178.5	-173	175.7	9.8	0	0	109.2
106	E	22.8	Very low	24	Very low	179 Å²	179	167.5 Å²	167.5	84%	0.836	83%	0.832	S	S	*	*			trans	-120.8	125.1	170.7	-83.3	-170.3	168.5	0	0	112.5
107	S	24.9	Very low	24	Very low	116 Å²	116	166 Å²	166	81%	0.811	82%	0.821	S	S	*	*			trans	-16.5	136.2	165.8	39.8	0	0	0	0	121.2
108	E	23.4	Very low	23.9	Very low	201 Å²	201	167.7 Å²	167.7	94%	0.939	82%	0.824	S	S	*	*			trans	-71.9	145	163.3	-65.1	179.1	141.3	0	0	113.9
109	G	25	Very low	23.7	Very low	70 Å²	70	164 Å²	164	72%	0.722	82%	0.819	S	S	*	*				97	116.1	129.2	0	0	0	0	0	119.4
110	K	25.4	Very low	23.6	Very low	215 Å²	215	160.8 Å²	160.8	94%	0.935	82%	0.821	S	S	*	*				-171.7	128.3	122.8	-101.5	167	-173.7	-179.3	0	112.7
111	L	23.2	Very low	23.5	Very low	145 Å²	145	161.6 Å²	161.6	76%	0.759	83%	0.827	S	S	*	*			trans	-62.7	157.1	168.5	-83.2	86.2	0	0	0	112.2
112	W	23	Very low	23.6	Very low	244 Å²	244	159 Å²	159	92%	0.924	82%	0.822	S	S	*	*				-158.1	151	125.8	-93.1	101.8	0	0	0	112.1
113	Q	22.7	Very low	23.8	Very low	159 Å²	159	158.1 Å²	158.1	74%	0.743	83%	0.825	S	S	*	*			trans	-85.9	162.4	-158.3	-67.5	165.9	-36.2	0	0	115.9
114	S	20.5	Very low	24.1	Very low	119 Å²	119	154.6 Å²	154.6	83%	0.832	82%	0.82	S	S	*	*			trans	-105.5	136.2	171	171.9	0	0	0	0	111.4
115	Q	22.4	Very low	24	Very low	195 Å²	195	158.6 Å²	158.6	91%	0.911	83%	0.826	S	S	*	*			trans	-82.3	139	173.8	-89.2	177.5	-34.8	0	0	112.9
116	R	21.1	Very low	24	Very low	224 Å²	224	155 Å²	155	85%	0.845	82%	0.82	S	S	*	*			trans	-61	160.7	160.1	-76.6	175.1	175.6	-179.1	-1	110.4
117	Q	24.3	Very low	24.1	Very low	143 Å²	143	158 Å²	158	67%	0.668	82%	0.823	S	S	*	*			cis	-169.5	154.7	28.9	-123.9	165.1	13.4	0	0	105.6
118	H	24.3	Very low	24.2	Very low	171 Å²	171	156.7 Å²	156.7	79%	0.792	82%	0.819	S	S	*	*				-176	151.6	81.7	-103.2	-67.4	0	0	0	111.9
119	S	21.6	Very low	24.4	Very low	109 Å²	109	157 Å²	157	76%	0.762	82%	0.818	S	S	*	*			trans	-91.7	148.6	-178.4	49.1	0	0	0	0	113.9
120	S	23.8	Very low	24.5	Very low	129 Å²	129	159.6 Å²	159.6	90%	0.902	82%	0.819	S	S	*	*			trans	-148.7	145.2	150.1	58.8	0	0	0	0	111.6
121	S	23.5	Very low	24.6	Very low	119 Å²	119	156.8 Å²	156.8	83%	0.832	81%	0.814	S	S	*	*			trans	-85.4	156	-157.8	43.7	0	0	0	0	116.5
122	L	25.8	Very low	25	Very low	159 Å²	159	155.8 Å²	155.8	83%	0.832	81%	0.814	S	S	*	*			trans	-80.9	168.4	173.9	-70.2	160.7	0	0	0	113.3
123	P	26.9	Very low	25.5	Very low	123 Å²	123	148 Å²	148	80%	0.799	80%	0.795	S	S	*	*			trans	-113	153.1	132.8	32.1	-22.1	0	0	0	112.7
124	V	27.7	Very low	26.2	Very low	121 Å²	121	148.5 Å²	148.5	73%	0.733	79%	0.794	S	S	*	*			trans	-100.7	140	-163.3	170.4	0	0	0	0	111.6
125	F	24.2	Very low	27.1	Very low	195 Å²	195	148.4 Å²	148.4	86%	0.855	78%	0.784	S	S	*	*			trans	-140.4	155.6	157.1	-83.4	-72.5	0	0	0	110.1
126	P	27.1	Very low	27.8	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-81.4	132.6	-138.3	30.9	-34.9	0	0	0	113.8
127	R	25.7	Very low	28.7	Very low	242 Å²	242	142.7 Å²	142.7	91%	0.913	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-81.4	124.9	171.5	-82.2	-178.6	172.3	173	-1.8	110.9	K129	R127-K129 PolarHBondContact O-N 3.43Å
128	A	27.3	Very low	29.2	Very low	88 Å²	88	139 Å²	139	73%	0.727	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55	132.1	155.2	0	0	0	0	0	109.6	V130	A128-V130 PolarHBondContact O-N 3.31Å
129	K	26.1	Very low	30	Very low	208 Å²	208	136.1 Å²	136.1	90%	0.904	77%	0.765	S	S	*	*			trans	-64	104.3	178.4	-78.2	178.8	176.7	174.3	0	110.1	R127	R127-K129 PolarHBondContact O-N 3.43Å
130	V	27.2	Very low	30.7	Very low	123 Å²	123	137.7 Å²	137.7	75%	0.745	77%	0.77	S	S	*	*			trans	-94.7	116.4	160.6	-179.9	0	0	0	0	107.4	A128 V132	A128-V130 PolarHBondContact O-N 3.31Å; V130-V132 PolarHBondContact O-N 3.19Å; V130-V132 VanDerWaalsContact O-N 3.13Å
131	N	27.3	Very low	31.1	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	76%	0.761	S	S	*	*			trans	-68.5	105.1	174.2	-87.8	-20.4	0	0	0	109.8
132	V	31.7	Very low	31.5	Very low	125 Å²	125	136.8 Å²	136.8	76%	0.758	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-85.1	125	168.8	-175	0	0	0	0	108.5	V130	V130-V132 PolarHBondContact O-N 3.19Å; V130-V132 VanDerWaalsContact O-N 3.13Å
133	P	34.5	Very low	31.8	Very low	80 Å²	80	136.4 Å²	136.4	52%	0.519	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-69.3	136.5	179.5	25.6	-30.9	0	0	0	111.5	L135 L163	P133-L135 PolarHBondContact O-N 3.23Å; P133-L163 HydrophobicContact CB-CD2 4.33Å; P133-L163 HydrophobicContact CG-CD2 4.08Å
134	K	37.6	Very low	32.3	Very low	169 Å²	169	138 Å²	138	74%	0.735	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.7	125.6	180	-85.2	179.3	174.1	177.2	0	111.7
135	L	38.9	Very low	32.8	Very low	118 Å²	118	137.3 Å²	137.3	62%	0.618	76%	0.755	S	S	*	*	B	Isolated β-bridge	trans	-75.2	140.1	168.9	-121.1	92.7	0	0	0	110.2	P133 P161	P133-L135 PolarHBondContact O-N 3.23Å; L135-P161 HydrophobicContact CD1-CB 4.34Å
136	I	37.8	Very low	33.7	Very low	84 Å²	84	132.5 Å²	132.5	43%	0.431	74%	0.741	S	S	.	*	P	Polyproline II helix	trans	-79.7	125.4	174.4	-64.6	169.5	0	0	0	109.1	Q164 A167	I136-Q164 HydrophobicContact CD1-CB 4.13Å; I136-Q164 HydrophobicContact CD1-CG 4.07Å; I136-Q164 HydrophobicContact CG1-CB 4.02Å; I136-Q164 HydrophobicContact CG1-CG 4.05Å; I136-A167 HydrophobicContact CD1-CB 3.66Å
137	K	40	Very low	34.2	Very low	214 Å²	214	130.5 Å²	130.5	93%	0.93	72%	0.723	S	S	*	*			trans	-98.9	108.4	162.8	-77.5	-175.6	176.1	-178.1	0	108.2
138	G	34.3	Very low	34.9	Very low	66 Å²	66	122.8 Å²	122.8	68%	0.68	71%	0.705	S	S	*	*			trans	-98.2	148.5	171.9	0	0	0	0	0	111.5
139	S	40.6	Very low	35.5	Very low	111 Å²	111	124 Å²	124	78%	0.776	71%	0.708	S	S	*	*	S	Bend	trans	-85.7	149.6	-173.5	46.6	0	0	0	0	114
140	T	35.9	Very low	36.1	Very low	142 Å²	142	118.4 Å²	118.4	87%	0.871	70%	0.695	S	S	*	*	S	Bend	trans	79.2	13.9	162.8	35.8	0	0	0	0	121.9
141	V	32.6	Very low	36.9	Very low	117 Å²	117	118.9 Å²	118.9	71%	0.709	69%	0.689	S	S	*	*	S	Bend	trans	-142	129.8	157.9	-169.6	0	0	0	0	109.4	N143	V141-N143 PolarHBondContact O-N 3.26Å
142	S	31.7	Very low	37.9	Very low	111 Å²	111	115.5 Å²	115.5	78%	0.776	66%	0.664	S	S	*	*			trans	-58.7	132.8	176	48.8	0	0	0	0	110.9	L144	S142-L144 PolarHBondContact O-N 3.35Å
143	N	33.5	Very low	38.4	Very low	151 Å²	151	117.1 Å²	117.1	81%	0.807	67%	0.674	S	S	*	*			trans	-39.6	106.5	-176.4	-69.4	-27	0	0	0	113.1	V141 T145	V141-N143 PolarHBondContact O-N 3.26Å; N143-T145 VanDerWaalsContact C-N 3.27Å; N143-T145 PolarHBondContact O-N 3.25Å
144	L	36.2	Very low	38.8	Very low	157 Å²	157	117.2 Å²	117.2	82%	0.822	67%	0.671	S	S	*	*			trans	-74.4	85.8	163.9	-76	166.4	0	0	0	108	S142 V146	S142-L144 PolarHBondContact O-N 3.35Å; L144-V146 PolarHBondContact O-N 3.5Å; L144-V146 VanDerWaalsContact O-N 3.15Å
145	T	38.5	Very low	39	Very low	107 Å²	107	112.9 Å²	112.9	66%	0.656	66%	0.66	S	S	*	*			trans	-71	2.3	175.9	18	0	0	0	0	113.7	N143	N143-T145 VanDerWaalsContact C-N 3.27Å; N143-T145 PolarHBondContact O-N 3.25Å
146	V	42.8	Very low	39.1	Very low	93 Å²	93	116.5 Å²	116.5	56%	0.564	67%	0.667	S	S	*	*	S	Bend	trans	-147.5	110.9	-163.3	163.8	0	0	0	0	107.9	L144	L144-V146 PolarHBondContact O-N 3.5Å; L144-V146 VanDerWaalsContact O-N 3.15Å
147	L	38	Very low	39.4	Very low	79 Å²	79	120.3 Å²	120.3	41%	0.414	68%	0.68	S	S	.	*			trans	-65	148.8	174.2	-82.1	160.2	0	0	0	111.4	R152	L147-R152 PolarHBondContact O-NE 2.86Å; L147-R152 PolarHBondContact O-NH2 3Å
148	P	40.5	Very low	39.6	Very low	80 Å²	80	115.9 Å²	115.9	52%	0.519	67%	0.671	S	S	.	*			trans	-56.4	145.6	179.5	-22.6	32	0	0	0	113.8	S150 H151	P148-S150 VanDerWaalsContact C-N 3.27Å; P148-S150 PolarHBondContact O-N 3.18Å; P148-H151 PolarHBondContact O-N 3.36Å
149	S	40.9	Very low	40.2	Very low	114 Å²	114	115.5 Å²	115.5	80%	0.797	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-62.5	-27.1	-171.6	55.9	0	0	0	0	114.6	H151	S149-H151 PolarHBondContact O-N 2.92Å; S149-H151 VanDerWaalsContact O-N 3.12Å
150	S	37.7	Very low	40.5	Very low	90 Å²	90	114.1 Å²	114.1	63%	0.629	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-66.5	-9.5	179.3	53.1	0	0	0	0	114.4	P148	P148-S150 VanDerWaalsContact C-N 3.27Å; P148-S150 PolarHBondContact O-N 3.18Å
151	H	43.8	Very low	41.1	Very low	133 Å²	133	111 Å²	111	62%	0.616	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-128.3	18.6	-172.9	-60.5	-67.5	0	0	0	114.6	P148 S149	P148-H151 PolarHBondContact O-N 3.36Å; S149-H151 PolarHBondContact O-N 2.92Å; S149-H151 VanDerWaalsContact O-N 3.12Å
152	R	48.3	Very low	42	Very low	84 Å²	84	108.3 Å²	108.3	32%	0.317	61%	0.61	S	S	.	*			trans	-98.6	123.9	174.2	-61.5	-170.2	-172.6	-165.1	-10.9	111.1	L147 D154 P155	L147-R152 PolarHBondContact O-NE 2.86Å; L147-R152 PolarHBondContact O-NH2 3Å; R152-D154 VanDerWaalsContact C-N 3.34Å; R152-P155 PolarHBondContact NH1-O 3.22Å
153	T	43.3	Very low	43.1	Very low	159 Å²	159	105.6 Å²	105.6	98%	0.975	59%	0.586	S	S	*	*	S	Bend	trans	-80.4	-19.6	162.8	40.2	0	0	0	0	112.1
154	D	42.2	Very low	43.9	Very low	82 Å²	82	102.3 Å²	102.3	44%	0.439	57%	0.566	S	S	.	*	S	Bend	trans	-144.8	121.8	169.9	-171.2	-21.2	0	0	0	110.2	R152 Y156	R152-D154 VanDerWaalsContact C-N 3.34Å; D154-Y156 VanDerWaalsContact C-N 3.26Å; D154-Y156 PolarHBondContact O-N 3.18Å; D154-Y156 PolarHBondContact OD1-N 3.42Å; D154-Y156 VanDerWaalsContact OD1-N 3.13Å
155	P	41.7	Very low	44.7	Very low	78 Å²	78	97.6 Å²	97.6	51%	0.506	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.3	-176.6	24	-30.5	0	0	0	115.7	R152	R152-P155 PolarHBondContact NH1-O 3.22Å
156	Y	41.9	Very low	45.2	Very low	195 Å²	195	93 Å²	93	77%	0.765	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-3.6	-170.7	-64.8	-77.8	0	0	0	116	D154 T158	D154-Y156 VanDerWaalsContact C-N 3.26Å; D154-Y156 PolarHBondContact O-N 3.18Å; D154-Y156 PolarHBondContact OD1-N 3.42Å; D154-Y156 VanDerWaalsContact OD1-N 3.13Å; Y156-T158 PolarHBondContact O-N 3.25Å
157	F	43.4	Very low	45.6	Very low	164 Å²	164	90.7 Å²	90.7	72%	0.719	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-75.4	122.4	179.7	-126.2	-89.9	0	0	0	111.4	P159	F157-P159 WeakPolarHBondContact O-CD 3.45Å
158	T	44.4	Very low	46	Very low	120 Å²	120	96.9 Å²	96.9	74%	0.736	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-73.6	119.8	170.7	-22.7	0	0	0	0	108	Y156 V160	Y156-T158 PolarHBondContact O-N 3.25Å; T158-V160 PolarHBondContact O-N 2.8Å
159	P	46.2	Very low	46.5	Very low	59 Å²	59	100.3 Å²	100.3	38%	0.383	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-64.9	139.2	-177	23.7	-30.7	0	0	0	110.7	F157	F157-P159 WeakPolarHBondContact O-CD 3.45Å
160	V	47.7	Very low	46.8	Very low	82 Å²	82	96.3 Å²	96.3	50%	0.497	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-65	129.9	179.6	-175.3	0	0	0	0	108.9	T158	T158-V160 PolarHBondContact O-N 2.8Å
161	P	48.4	Very low	47.4	Very low	75 Å²	75	95.3 Å²	95.3	49%	0.487	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-64.2	143.3	-177.9	25.1	-33.4	0	0	0	111.5	L135 L163	L135-P161 HydrophobicContact CD1-CB 4.34Å; P161-L163 PolarHBondContact O-N 3.49Å
162	V	52.2	Low	47.5	Very low	62 Å²	62	95 Å²	95	38%	0.376	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-73	116.1	179.1	-174.3	0	0	0	0	109.7	D166 L179	V162-D166 HydrophobicContact CG1-CB 4.45Å; V162-L179 HydrophobicContact CG2-CD1 4.04Å
163	L	54.8	Low	47.6	Very low	54 Å²	54	92 Å²	92	28%	0.283	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-87.1	155.1	176.9	-60.7	172.7	0	0	0	110.7	P133 P161 A165 D166 A167	P133-L163 HydrophobicContact CB-CD2 4.33Å; P133-L163 HydrophobicContact CG-CD2 4.08Å; P161-L163 PolarHBondContact O-N 3.49Å; L163-A165 PolarHBondContact O-N 2.91Å; L163-A165 VanDerWaalsContact O-N 3.11Å; L163-D166 WeakPolarHBondContact CB-OD2 3.47Å; L163-D166 PolarHBondContact N-OD2 3.37Å; L163-D166 WeakPolarHBondContact O-CB 3.46Å; L163-D166 PolarHBondContact O-N 3.09Å; L163-A167 PolarHBondContact O-N 3.48Å
164	Q	49.6	Very low	48.2	Very low	82 Å²	82	86.3 Å²	86.3	38%	0.383	46%	0.457	S	S	.	.	H	α-helix	trans	-60.9	-23.7	178.8	-164.9	169.5	21.4	0	0	113.6	I136 R168	I136-Q164 HydrophobicContact CD1-CB 4.13Å; I136-Q164 HydrophobicContact CD1-CG 4.07Å; I136-Q164 HydrophobicContact CG1-CB 4.02Å; I136-Q164 HydrophobicContact CG1-CG 4.05Å; Q164-R168 WeakPolarHBondContact O-CG 3.48Å; Q164-R168 PolarHBondContact O-N 2.98Å
165	A	51.7	Low	48.8	Very low	58 Å²	58	84.9 Å²	84.9	48%	0.479	45%	0.449	S	S	.	.	H	α-helix	trans	-71.5	-32.4	173	0	0	0	0	0	113.1	L163 K169	L163-A165 PolarHBondContact O-N 2.91Å; L163-A165 VanDerWaalsContact O-N 3.11Å; A165-K169 WeakPolarHBondContact O-CG 3.36Å; A165-K169 PolarHBondContact O-N 3.11Å
166	D	49.4	Very low	49.2	Very low	10 Å²	10	88.9 Å²	88.9	5%	0.053	46%	0.461	C	S	.	.	H	α-helix	trans	-73.7	-39.3	179	-59	-54.1	0	0	0	110.4	V162 L163 R168 K169 G170 R177	V162-D166 HydrophobicContact CG1-CB 4.45Å; L163-D166 WeakPolarHBondContact CB-OD2 3.47Å; L163-D166 PolarHBondContact N-OD2 3.37Å; L163-D166 WeakPolarHBondContact O-CB 3.46Å; L163-D166 PolarHBondContact O-N 3.09Å; D166-R168 VanDerWaalsContact C-N 3.33Å; D166-R168 PolarHBondContact O-N 3.33Å; D166-K169 PolarHBondContact O-N 3Å; D166-G170 PolarHBondContact O-N 2.89Å; D166-R177 IonicContact OD1-NH1 2.83Å; D166-R177 PolarHBondContact OD1-NH1 3.11Å; D166-R177 IonicContact OD2-NH1 2.83Å
167	A	51.3	Low	49.5	Very low	45 Å²	45	85.9 Å²	85.9	37%	0.372	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-36.2	174.9	0	0	0	0	0	112.7	I136 L163 K169 G170	I136-A167 HydrophobicContact CD1-CB 3.66Å; L163-A167 PolarHBondContact O-N 3.48Å; A167-K169 VanDerWaalsContact C-N 3.32Å; A167-K169 PolarHBondContact O-N 2.91Å; A167-G170 PolarHBondContact O-N 3.38Å
168	R	46.5	Very low	49.8	Very low	208 Å²	208	80.8 Å²	80.8	79%	0.785	44%	0.441	S	S	*	.	H	α-helix	trans	-69.5	-26.9	176.1	-76.4	179.6	178.5	-173.3	-0.5	113.5	Q164 D166	Q164-R168 WeakPolarHBondContact O-CG 3.48Å; Q164-R168 PolarHBondContact O-N 2.98Å; D166-R168 VanDerWaalsContact C-N 3.33Å; D166-R168 PolarHBondContact O-N 3.33Å
169	K	52	Low	50.2	Low	152 Å²	152	77.1 Å²	77.1	66%	0.661	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.5	176.2	-71	178.2	178.8	-174.3	0	113.3	A165 D166 A167	A165-K169 WeakPolarHBondContact O-CG 3.36Å; A165-K169 PolarHBondContact O-N 3.11Å; D166-K169 PolarHBondContact O-N 3Å; A167-K169 VanDerWaalsContact C-N 3.32Å; A167-K169 PolarHBondContact O-N 2.91Å
170	G	47.3	Very low	50.4	Low	30 Å²	30	76.1 Å²	76.1	31%	0.309	41%	0.408	S	S	.	.			trans	78	-179.1	173	0	0	0	0	0	114.5	D166 A167 L172 S173	D166-G170 PolarHBondContact O-N 2.89Å; A167-G170 PolarHBondContact O-N 3.38Å; G170-L172 VanDerWaalsContact C-N 3.28Å; G170-L172 PolarHBondContact O-N 3.28Å; G170-S173 PolarHBondContact O-N 3.33Å; G170-S173 VanDerWaalsContact O-N 3.15Å
171	I	48.9	Very low	50.3	Low	70 Å²	70	74.8 Å²	74.8	36%	0.359	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-32.4	-166.9	-116.2	150.4	0	0	0	113.8	S173 M174 I175 I180 I186	I171-S173 PolarHBondContact O-N 3.49Å; I171-M174 HydrophobicContact CB-CE 4.4Å; I171-M174 HydrophobicContact CG1-CE 3.78Å; I171-M174 PolarHBondContact O-N 3.08Å; I171-M174 VanDerWaalsContact O-N 3.11Å; I171-I175 HydrophobicContact CG2-CD1 3.97Å; I171-I175 WeakPolarHBondContact O-CG1 3.1Å; I171-I175 PolarHBondContact O-N 3.41Å; I171-I180 HydrophobicContact CG1-CD1 3.94Å; I171-I186 HydrophobicContact CD1-CD1 3.9Å; I171-I186 HydrophobicContact CD1-CG2 4.37Å; I171-I186 HydrophobicContact CG1-CD1 4.28Å; I171-I186 HydrophobicContact CG2-CD1 3.87Å
172	L	45.6	Very low	50.1	Low	127 Å²	127	76.8 Å²	76.8	67%	0.665	41%	0.414	S	S	*	.	H	α-helix	trans	-63.3	-40.9	178.3	-92.4	130.9	0	0	0	112.2	G170 M174 I175 E176	G170-L172 VanDerWaalsContact C-N 3.28Å; G170-L172 PolarHBondContact O-N 3.28Å; L172-M174 PolarHBondContact O-N 2.98Å; L172-I175 PolarHBondContact O-N 3.05Å; L172-E176 WeakPolarHBondContact O-CG 3.39Å; L172-E176 PolarHBondContact O-N 3.4Å
173	S	51.8	Low	49.6	Very low	20 Å²	20	79.9 Å²	79.9	14%	0.14	43%	0.433	C	S	.	.	H	α-helix	trans	-64.7	-24.9	175.9	-174.6	0	0	0	0	112.4	G170 I171 R177	G170-S173 PolarHBondContact O-N 3.33Å; G170-S173 VanDerWaalsContact O-N 3.15Å; I171-S173 PolarHBondContact O-N 3.49Å; S173-R177 VanDerWaalsContact O-CG 3.31Å; S173-R177 WeakPolarHBondContact O-CG 3.48Å
174	M	55.3	Low	49	Very low	40 Å²	40	79.5 Å²	79.5	20%	0.197	44%	0.438	C	S	.	.	H	α-helix	trans	-85.4	-31.1	177	-62.1	-170.8	-68.8	0	0	112.1	I171 L172 G178 L179 I180	I171-M174 HydrophobicContact CB-CE 4.4Å; I171-M174 HydrophobicContact CG1-CE 3.78Å; I171-M174 PolarHBondContact O-N 3.08Å; I171-M174 VanDerWaalsContact O-N 3.11Å; L172-M174 PolarHBondContact O-N 2.98Å; M174-G178 PolarHBondContact O-N 3.23Å; M174-L179 WeakPolarHBondContact O-CB 3.31Å; M174-L179 PolarHBondContact O-N 3.45Å; M174-I180 HydrophobicContact CB-CD1 3.83Å; M174-I180 HydrophobicContact CB-CG1 4.17Å; M174-I180 HydrophobicContact CE-CD1 3.87Å; M174-I180 PolarHBondContact O-N 3.43Å
175	I	55.1	Low	48.6	Very low	52 Å²	52	87.2 Å²	87.2	27%	0.267	46%	0.463	S	S	.	.	H	α-helix	trans	-68.7	-44.7	171.7	-66.5	168.2	0	0	0	110.6	I171 L172 R177 G178 I180 P182	I171-I175 HydrophobicContact CG2-CD1 3.97Å; I171-I175 WeakPolarHBondContact O-CG1 3.1Å; I171-I175 PolarHBondContact O-N 3.41Å; L172-I175 PolarHBondContact O-N 3.05Å; I175-R177 PolarHBondContact O-N 2.95Å; I175-G178 PolarHBondContact O-N 3.48Å; I175-I180 HydrophobicContact CG1-CB 3.75Å; I175-I180 HydrophobicContact CG1-CG2 3.88Å; I175-P182 HydrophobicContact CG2-CB 4.35Å
176	E	49.1	Very low	48	Very low	162 Å²	162	88 Å²	88	76%	0.757	46%	0.459	S	S	*	.	H	α-helix	trans	-62.7	-28.7	178.9	-75.7	179.9	170.2	0	0	113.3	L172 G178	L172-E176 WeakPolarHBondContact O-CG 3.39Å; L172-E176 PolarHBondContact O-N 3.4Å; E176-G178 VanDerWaalsContact C-N 3.28Å
177	R	49.8	Very low	47.3	Very low	132 Å²	132	93.8 Å²	93.8	50%	0.498	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.3	174.9	-64.5	-174.1	81.2	140.3	9.6	113.4	D166 S173 I175 L179	D166-R177 IonicContact OD1-NH1 2.83Å; D166-R177 PolarHBondContact OD1-NH1 3.11Å; D166-R177 IonicContact OD2-NH1 2.83Å; S173-R177 VanDerWaalsContact O-CG 3.31Å; S173-R177 WeakPolarHBondContact O-CG 3.48Å; I175-R177 PolarHBondContact O-N 2.95Å; R177-L179 VanDerWaalsContact C-N 3.26Å; R177-L179 HydrophobicContact CB-CD1 4.31Å; R177-L179 HydrophobicContact CB-CG 4.33Å; R177-L179 PolarHBondContact O-N 3.48Å
178	G	47.9	Very low	46.5	Very low	56 Å²	56	98.6 Å²	98.6	58%	0.577	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	14	178	0	0	0	0	0	114.5	M174 I175 E176	M174-G178 PolarHBondContact O-N 3.23Å; I175-G178 PolarHBondContact O-N 3.48Å; E176-G178 VanDerWaalsContact C-N 3.28Å
179	L	52.9	Low	46	Very low	43 Å²	43	98.1 Å²	98.1	23%	0.225	51%	0.514	C	S	.	.	S	Bend	trans	-81.7	-22.6	179.3	-62.6	170.5	0	0	0	112	V162 M174 R177	V162-L179 HydrophobicContact CG2-CD1 4.04Å; M174-L179 WeakPolarHBondContact O-CB 3.31Å; M174-L179 PolarHBondContact O-N 3.45Å; R177-L179 VanDerWaalsContact C-N 3.26Å; R177-L179 HydrophobicContact CB-CD1 4.31Å; R177-L179 HydrophobicContact CB-CG 4.33Å; R177-L179 PolarHBondContact O-N 3.48Å
180	I	50	Low	45.5	Very low	39 Å²	39	98 Å²	98	20%	0.2	52%	0.52	C	S	.	.	S	Bend	trans	-124.7	124.2	173	-59.5	177.2	0	0	0	107.6	I171 M174 I175 A184	I171-I180 HydrophobicContact CG1-CD1 3.94Å; M174-I180 HydrophobicContact CB-CD1 3.83Å; M174-I180 HydrophobicContact CB-CG1 4.17Å; M174-I180 HydrophobicContact CE-CD1 3.87Å; M174-I180 PolarHBondContact O-N 3.43Å; I175-I180 HydrophobicContact CG1-CB 3.75Å; I175-I180 HydrophobicContact CG1-CG2 3.88Å; I180-A184 HydrophobicContact CG2-CB 3.97Å
181	P	45.9	Very low	45	Very low	53 Å²	53	99.2 Å²	99.2	34%	0.344	52%	0.523	S	S	.	.			trans	-59.2	140.9	177.9	-21.7	30.8	0	0	0	111.3	T183 A184	P181-T183 PolarHBondContact O-N 3.25Å; P181-A184 HydrophobicContact CB-CB 4.44Å; P181-A184 WeakPolarHBondContact O-CB 3.19Å; P181-A184 PolarHBondContact O-N 3.06Å
182	P	44.8	Very low	44.5	Very low	117 Å²	117	102.3 Å²	102.3	76%	0.76	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.5	-179.2	24	-32.9	0	0	0	113.6	I175	I175-P182 HydrophobicContact CG2-CB 4.35Å
183	T	42.3	Very low	44.2	Very low	127 Å²	127	102.9 Å²	102.9	78%	0.779	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	0.9	177.4	45.2	0	0	0	0	114.2	P181 R185	P181-T183 PolarHBondContact O-N 3.25Å; T183-R185 PolarHBondContact O-N 3.06Å
184	A	41.5	Very low	43.6	Very low	46 Å²	46	108.8 Å²	108.8	38%	0.38	58%	0.579	S	S	.	*			trans	-64.5	119.4	179.5	0	0	0	0	0	110.8	I180 P181 I186	I180-A184 HydrophobicContact CG2-CB 3.97Å; P181-A184 HydrophobicContact CB-CB 4.44Å; P181-A184 WeakPolarHBondContact O-CB 3.19Å; P181-A184 PolarHBondContact O-N 3.06Å; A184-I186 PolarHBondContact O-N 2.91Å; A184-I186 VanDerWaalsContact O-N 3.16Å
185	R	40.5	Very low	42.7	Very low	244 Å²	244	112.3 Å²	112.3	92%	0.921	60%	0.604	S	S	*	*			trans	-71.9	105.6	171.2	-86.7	-174.4	168.2	-177	-2.6	109	T183 T187	T183-R185 PolarHBondContact O-N 3.06Å; R185-T187 PolarHBondContact O-N 3.15Å
186	I	39.6	Very low	41.8	Very low	75 Å²	75	121.2 Å²	121.2	39%	0.385	64%	0.635	S	S	.	*			trans	-78.5	101.6	172.8	-58.8	160.6	0	0	0	107.3	I171 A184 F188	I171-I186 HydrophobicContact CD1-CD1 3.9Å; I171-I186 HydrophobicContact CD1-CG2 4.37Å; I171-I186 HydrophobicContact CG1-CD1 4.28Å; I171-I186 HydrophobicContact CG2-CD1 3.87Å; A184-I186 PolarHBondContact O-N 2.91Å; A184-I186 VanDerWaalsContact O-N 3.16Å; I186-F188 HydrophobicContact CG2-CD2 4.48Å; I186-F188 HydrophobicContact CG2-CE2 4.18Å; I186-F188 HydrophobicContact CG2-CZ 4.36Å; I186-F188 PolarHBondContact O-N 2.78Å
187	T	34.5	Very low	41.5	Very low	131 Å²	131	118 Å²	118	80%	0.804	64%	0.636	S	S	*	*			trans	-79	110.1	168.6	37.9	0	0	0	0	109	R185	R185-T187 PolarHBondContact O-N 3.15Å
188	F	34.9	Very low	40.7	Very low	147 Å²	147	115.7 Å²	115.7	65%	0.645	65%	0.645	S	S	*	*			trans	-68.8	137.8	165.9	-71.8	-85.6	0	0	0	109.2	I186 N190	I186-F188 HydrophobicContact CG2-CD2 4.48Å; I186-F188 HydrophobicContact CG2-CE2 4.18Å; I186-F188 HydrophobicContact CG2-CZ 4.36Å; I186-F188 PolarHBondContact O-N 2.78Å; F188-N190 PolarHBondContact O-N 3.1Å
189	Q	35.4	Very low	40.3	Very low	198 Å²	198	118.9 Å²	118.9	93%	0.925	66%	0.656	S	S	*	*	S	Bend	trans	-59.6	-18.3	179.3	-108.9	178.7	-6.5	0	0	113.3
190	N	42.7	Very low	39.4	Very low	148 Å²	148	124.9 Å²	124.9	79%	0.791	69%	0.687	S	S	*	*	S	Bend	trans	-142.2	97.6	166.4	-73.8	-43.7	0	0	0	108.7	F188	F188-N190 PolarHBondContact O-N 3.1Å
191	P	36.5	Very low	38.6	Very low	56 Å²	56	131.1 Å²	131.1	36%	0.364	72%	0.715	S	S	.	*			trans	-68.8	139.6	172.1	29.7	-31.8	0	0	0	108.4	I193	P191-I193 WeakPolarHBondContact CB-O 3.4Å; P191-I193 WeakPolarHBondContact CG-O 3.23Å; P191-I193 PolarHBondContact O-N 3.32Å
192	P	39.3	Very low	38.2	Very low	136 Å²	136	133.9 Å²	133.9	88%	0.883	74%	0.735	S	S	*	*	S	Bend	trans	-61	-8.6	176.6	23	-31.6	0	0	0	113.1
193	I	38.5	Very low	37.6	Very low	139 Å²	139	137.8 Å²	137.8	71%	0.713	74%	0.741	S	S	*	*	S	Bend	trans	-136.6	120	170.5	-56	174.8	0	0	0	108.2	P191 P195	P191-I193 WeakPolarHBondContact CB-O 3.4Å; P191-I193 WeakPolarHBondContact CG-O 3.23Å; P191-I193 PolarHBondContact O-N 3.32Å; I193-P195 WeakPolarHBondContact O-CD 3.49Å
194	I	38.9	Very low	37.1	Very low	144 Å²	144	135.4 Å²	135.4	74%	0.738	74%	0.741	S	S	*	*			trans	-79.8	117.2	176.1	-58.2	168.6	0	0	0	108.1	R196	I194-R196 PolarHBondContact O-N 3.13Å; I194-R196 VanDerWaalsContact O-N 3.15Å
195	P	37.3	Very low	36.6	Very low	113 Å²	113	142.1 Å²	142.1	73%	0.734	77%	0.765	S	S	*	*			trans	-70.5	112.6	175.7	27.5	-30.3	0	0	0	109.3	I193	I193-P195 WeakPolarHBondContact O-CD 3.49Å
196	R	36.6	Very low	36.3	Very low	239 Å²	239	135 Å²	135	90%	0.902	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-90.2	121.6	173.3	-150.6	175.4	-172.8	179.7	2	108.4	I194 A198	I194-R196 PolarHBondContact O-N 3.13Å; I194-R196 VanDerWaalsContact O-N 3.15Å; R196-A198 PolarHBondContact O-N 2.94Å
197	A	42.4	Very low	35.9	Very low	96 Å²	96	142.5 Å²	142.5	79%	0.793	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.5	169.7	0	0	0	0	0	108.7
198	A	32.9	Very low	35.7	Very low	83 Å²	83	146.3 Å²	146.3	69%	0.686	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73.8	133.7	172.9	0	0	0	0	0	108.8	R196 L200	R196-A198 PolarHBondContact O-N 2.94Å; A198-L200 PolarHBondContact O-N 3.21Å; A198-L200 VanDerWaalsContact O-N 3.14Å
199	P	38.2	Very low	35.6	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	79%	0.79	S	S	*	*			trans	-67.6	115	173.6	27.6	-29.8	0	0	0	108.1
200	L	34.8	Very low	35.3	Very low	168 Å²	168	142.1 Å²	142.1	88%	0.88	78%	0.783	S	S	*	*			trans	-74.8	123.5	169.4	-71.4	166.1	0	0	0	107.7	A198 S202	A198-L200 PolarHBondContact O-N 3.21Å; A198-L200 VanDerWaalsContact O-N 3.14Å; L200-S202 PolarHBondContact O-N 3.29Å
201	H	33.2	Very low	34.6	Very low	171 Å²	171	139.6 Å²	139.6	79%	0.792	78%	0.782	S	S	*	*			trans	-68.1	113.9	162.3	-81.4	-73	0	0	0	108.5	F203	H201-F203 HydrophobicContact CB-CE2 4.41Å; H201-F203 PolarHBondContact O-N 3.2Å
202	S	36.8	Very low	34.2	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	81%	0.805	S	S	*	*			trans	-67.9	116.1	167.4	49.4	0	0	0	0	109.7	L200	L200-S202 PolarHBondContact O-N 3.29Å
203	F	32.6	Very low	33.6	Very low	200 Å²	200	141 Å²	141	88%	0.877	80%	0.797	S	S	*	*			trans	-114.8	103.8	157.6	-82.8	-81	0	0	0	107.6	H201	H201-F203 HydrophobicContact CB-CE2 4.41Å; H201-F203 PolarHBondContact O-N 3.2Å
204	G	32.5	Very low	32.9	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	80%	0.796	S	S	*	*			trans	141.3	27.7	172.7	0	0	0	0	0	117.8
205	E	30.8	Very low	32.3	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	80%	0.8	S	S	*	*			trans	-110.4	115	147.8	-94.4	-174	169.7	0	0	107.9	R207	E205-R207 PolarHBondContact O-N 3.02Å
206	A	34.4	Very low	31.9	Very low	95 Å²	95	142.5 Å²	142.5	79%	0.785	80%	0.802	S	S	*	*			trans	-48.2	127.7	163.7	0	0	0	0	0	108.5	K208	A206-K208 PolarHBondContact O-N 3.14Å
207	R	31.5	Very low	31.3	Very low	231 Å²	231	137.4 Å²	137.4	87%	0.872	80%	0.797	S	S	*	*			trans	-53	110.6	162	-73.7	177.9	174.5	175.5	-2.8	107.5	E205 I209	E205-R207 PolarHBondContact O-N 3.02Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.13Å; R207-I209 VanDerWaalsContact O-N 3.08Å
208	K	30.5	Very low	31.1	Very low	211 Å²	211	137.7 Å²	137.7	92%	0.917	79%	0.791	S	S	*	*			trans	-64.5	101.8	152.2	-79	-176.9	177.5	177.6	0	106.7	A206	A206-K208 PolarHBondContact O-N 3.14Å
209	I	32.3	Very low	30.8	Very low	139 Å²	139	145 Å²	145	71%	0.713	80%	0.801	S	S	*	*			trans	-88.6	145.6	148.1	-65.1	176.4	0	0	0	105.8	R207	R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.13Å; R207-I209 VanDerWaalsContact O-N 3.08Å
210	P	28.2	Very low	30.5	Very low	118 Å²	118	147.9 Å²	147.9	77%	0.766	80%	0.804	S	S	*	*			trans	-70.4	166	-161	-14.7	30.1	0	0	0	114.5
211	A	28.9	Very low	30.3	Very low	95 Å²	95	145.6 Å²	145.6	79%	0.785	80%	0.799	S	S	*	*			trans	-42.6	137.9	-178.2	0	0	0	0	0	116.7
212	T	27.6	Very low	30.4	Very low	136 Å²	136	143.1 Å²	143.1	83%	0.834	80%	0.798	S	S	*	*			trans	-164.9	130.2	130.9	11.9	0	0	0	0	110.2
213	A	25.9	Very low	30.5	Very low	87 Å²	87	143.5 Å²	143.5	72%	0.719	80%	0.798	S	S	*	*			trans	44.2	136.2	148.1	0	0	0	0	0	119.5
214	T	25.6	Very low	30.5	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	79%	0.794	S	S	*	*			cis	176.6	149.6	18.5	13.3	0	0	0	0	106.6
215	F	25.5	Very low	30.6	Very low	187 Å²	187	142.6 Å²	142.6	82%	0.82	80%	0.798	S	S	*	*			trans	38.8	143.9	148.7	-59.1	-69.7	0	0	0	120.4
216	T	27.7	Very low	30.6	Very low	127 Å²	127	138 Å²	138	78%	0.779	79%	0.792	S	S	*	*			cis	-174.6	166	21.6	5	0	0	0	0	108.9
217	V	25.3	Very low	30.4	Very low	132 Å²	132	141.1 Å²	141.1	80%	0.8	79%	0.79	S	S	*	*			trans	-73.7	-167.9	-176.1	-167.6	0	0	0	0	112
218	P	37.6	Very low	30.2	Very low	103 Å²	103	136.9 Å²	136.9	67%	0.669	79%	0.79	S	S	*	*				-119.7	176.6	-69.1	35.7	-20.9	0	0	0	115
219	R	26.4	Very low	30.1	Very low	237 Å²	237	134 Å²	134	89%	0.894	78%	0.777	S	S	*	*				169.8	135.3	118	-99.2	176.8	172.2	173.3	-2.4	115.1
220	E	33	Very low	29.7	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	79%	0.787	S	S	*	*			trans	-64.5	161.7	160.4	-81.3	178.9	141	0	0	112.7
221	P	30.5	Very low	29.9	Very low	120 Å²	120	140 Å²	140	78%	0.779	79%	0.787	S	S	*	*				-143.5	-176.5	115.1	46.3	-31.5	0	0	0	112.8
222	P	34.5	Very low	30.1	Very low	118 Å²	118	141.9 Å²	141.9	77%	0.766	79%	0.791	S	S	*	*				-110.6	-176.5	-122.7	9.2	19.9	0	0	0	114
223	P	39	Very low	30	Very low	119 Å²	119	144.3 Å²	144.3	77%	0.773	79%	0.79	S	S	*	*			trans	-85.9	162.8	-168	35.6	-35	0	0	0	114.8
224	P	33.8	Very low	30.1	Very low	122 Å²	122	148.5 Å²	148.5	79%	0.792	79%	0.792	S	S	*	*			trans	-91.7	155.8	179.6	35.1	-32.6	0	0	0	114.4
225	P	33.4	Very low	30.2	Very low	135 Å²	135	151.6 Å²	151.6	88%	0.877	80%	0.798	S	S	*	*			trans	-95.5	-177.6	179.6	37.7	-33.8	0	0	0	115.1
226	A	31.7	Very low	30.1	Very low	90 Å²	90	147 Å²	147	74%	0.744	79%	0.789	S	S	*	*			trans	-89	166.6	-149.2	0	0	0	0	0	119.8
227	E	29.4	Very low	30.2	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	78%	0.784	S	S	*	*			trans	33.4	132.7	149.5	-68.6	-168.8	163.2	0	0	123
228	V	27.5	Very low	30.3	Very low	142 Å²	142	149.1 Å²	149.1	86%	0.861	79%	0.789	S	S	*	*				-149.3	136.6	123.7	-175.7	0	0	0	0	111.1
229	K	28	Very low	29.7	Very low	151 Å²	151	147.5 Å²	147.5	66%	0.657	79%	0.791	S	S	*	*			trans	-82.3	153.8	177	-67.8	167.5	176.9	163.6	0	113.3
230	F	25.3	Very low	29.8	Very low	207 Å²	207	146.3 Å²	146.3	91%	0.908	79%	0.792	S	S	*	*			trans	-152.2	134.5	143.2	-102.6	-80.9	0	0	0	112.4
231	F	31.1	Very low	29.4	Very low	176 Å²	176	142.3 Å²	142.3	77%	0.772	78%	0.784	S	S	*	*			trans	-92.3	160.6	169.9	-79.7	-83	0	0	0	109.9
232	P	33.3	Very low	29.3	Very low	134 Å²	134	148 Å²	148	87%	0.87	79%	0.791	S	S	*	*				-155.9	-177.1	81.6	37.1	-12.8	0	0	0	118.2
233	K	26	Very low	29.2	Very low	187 Å²	187	153.8 Å²	153.8	81%	0.813	80%	0.797	S	S	*	*			trans	-85.6	159	-167.6	-74.6	169.4	172.7	168.9	0	116.6
234	K	26.7	Very low	29.4	Very low	175 Å²	175	153.4 Å²	153.4	76%	0.761	80%	0.795	S	S	*	*			trans	42.3	127.5	139.6	-68.4	-176.4	174.4	-175.5	0	121.3
235	H	28.1	Very low	29.1	Very low	178 Å²	178	159.7 Å²	159.7	82%	0.824	80%	0.802	S	S	*	*				177.1	179.7	100.4	-108.4	-77.9	0	0	0	111.9
236	S	24.4	Very low	28.8	Very low	89 Å²	89	157.1 Å²	157.1	62%	0.622	80%	0.801	S	S	*	*			trans	-114.2	154.8	-143	56.6	0	0	0	0	116.4
237	S	28.7	Very low	28.5	Very low	97 Å²	97	160.5 Å²	160.5	68%	0.678	80%	0.801	S	S	*	*			trans	79.9	136.8	132.8	77.1	0	0	0	0	123.2
238	K	27.1	Very low	28.5	Very low	208 Å²	208	159.9 Å²	159.9	90%	0.904	80%	0.798	S	S	*	*			trans	68.4	137	155	-64.6	173.9	-177.2	179.4	0	115.8
239	G	25.8	Very low	28.5	Very low	69 Å²	69	160 Å²	160	71%	0.711	79%	0.794	S	S	*	*			cis	155.6	156.2	5.8	0	0	0	0	0	108.7
240	K	27.6	Very low	28.6	Very low	211 Å²	211	164.8 Å²	164.8	92%	0.917	81%	0.807	S	S	*	*			trans	85.5	118	164.2	-65.3	-175.1	176.2	179.1	0	120.5
241	S	26.1	Very low	28.9	Very low	99 Å²	99	164.9 Å²	164.9	69%	0.692	81%	0.807	S	S	*	*				99.1	118.1	114.3	175	0	0	0	0	121.4
242	R	28.3	Very low	28.8	Very low	240 Å²	240	161 Å²	161	91%	0.906	81%	0.808	S	S	*	*			trans	73.7	120.3	137.8	-73	177.7	168.2	-179	-3.4	121
243	R	31.5	Very low	28.7	Very low	240 Å²	240	161.2 Å²	161.2	91%	0.906	81%	0.807	S	S	*	*			trans	-48.8	169.4	153.4	-72.6	-175.6	179.7	-177.6	-0.1	112.2
244	P	42.8	Very low	28.9	Very low	111 Å²	111	161.9 Å²	161.9	72%	0.721	81%	0.809	S	S	*	*			cis	-153.9	174.2	33.7	39.9	-16.5	0	0	0	120.7
245	R	28.5	Very low	29.1	Very low	253 Å²	253	160.1 Å²	160.1	96%	0.955	81%	0.813	S	S	*	*			trans	53.3	130	144.6	-78	-179.6	-173.8	-178.2	1.7	121.7
246	G	26.4	Very low	29.2	Very low	82 Å²	82	157.6 Å²	157.6	85%	0.845	81%	0.811	S	S	*	*			trans	-155.5	129.6	154.4	0	0	0	0	0	110.5
247	H	26.5	Very low	29.9	Very low	161 Å²	161	159 Å²	159	75%	0.745	82%	0.817	S	S	*	*			trans	-87.3	156.2	-171.4	-127.2	-36.8	0	0	0	112.6
248	H	29	Very low	30.1	Very low	147 Å²	147	159.9 Å²	159.9	68%	0.681	82%	0.821	S	S	*	*			trans	24.9	145.7	135.3	-69.4	-22.1	0	0	0	120.1
249	D	26.9	Very low	30.2	Very low	145 Å²	145	155.3 Å²	155.3	78%	0.775	82%	0.815	S	S	*	*			cis	-164.1	160.8	35.1	-98.6	-40.2	0	0	0	109.6
250	R	31.2	Very low	31.1	Very low	251 Å²	251	164.2 Å²	164.2	95%	0.947	83%	0.827	S	S	*	*			trans	-128.4	128.3	158.2	-105.8	-175.8	177.3	-179	-0.8	111.7
251	K	31.2	Very low	31.3	Very low	209 Å²	209	158.7 Å²	158.7	91%	0.909	82%	0.821	S	S	*	*			trans	-68.5	155.3	-176.8	-71.6	175	173.1	177.7	0	113.8
252	A	29.3	Very low	31.6	Very low	96 Å²	96	166.1 Å²	166.1	79%	0.793	83%	0.834	S	S	*	*			trans	-65.6	155	175.1	0	0	0	0	0	115.2
253	V	30.4	Very low	32.1	Very low	137 Å²	137	161.2 Å²	161.2	83%	0.83	82%	0.819	S	S	*	*			trans	-135.1	125.2	153.3	175	0	0	0	0	108.4
254	K	29.9	Very low	32.5	Very low	201 Å²	201	154.2 Å²	154.2	87%	0.874	81%	0.807	S	S	*	*			trans	-76.6	143.9	170.8	-83.5	175.7	169.8	178.1	0	110.2
255	V	31	Very low	32.6	Very low	138 Å²	138	156 Å²	156	84%	0.836	81%	0.81	S	S	*	*			trans	-127.1	125.6	161.4	179.4	0	0	0	0	108.8
256	T	31.6	Very low	33.8	Very low	126 Å²	126	152.8 Å²	152.8	77%	0.773	80%	0.798	S	S	*	*			trans	-76.4	153	176.4	-29.4	0	0	0	0	110
257	P	38.3	Very low	35.4	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	78%	0.78	S	S	*	*			trans	-92.8	153.6	-159.2	35.8	-30.6	0	0	0	113.4
258	P	32.8	Very low	37.6	Very low	117 Å²	117	147.7 Å²	147.7	76%	0.76	75%	0.753	S	S	*	*			trans	-110.1	119.9	158	24.7	-8	0	0	0	112.4
259	S	29.6	Very low	40.1	Very low	111 Å²	111	142 Å²	142	78%	0.776	73%	0.728	S	S	*	*			trans	25.4	115.3	139.2	58.5	0	0	0	0	120.5	A261	S259-A261 PolarHBondContact O-N 3.05Å
260	R	43.8	Very low	42.9	Very low	256 Å²	256	135.3 Å²	135.3	97%	0.966	69%	0.692	S	S	*	*			trans	-2.1	104.6	147.4	-73.7	176.5	172.8	172.9	-3	116.2
261	A	33.1	Very low	45.4	Very low	96 Å²	96	126.4 Å²	126.4	79%	0.793	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-91.4	135.2	148.1	0	0	0	0	0	109	S259 K263	S259-A261 PolarHBondContact O-N 3.05Å; A261-K263 PolarHBondContact O-N 3.38Å
262	R	32.4	Very low	48	Very low	254 Å²	254	116.5 Å²	116.5	96%	0.958	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-56.1	120.1	-174.8	-77	171.4	164.6	170.5	-6.3	112.1
263	K	38.5	Very low	50.5	Low	137 Å²	137	117.2 Å²	117.2	60%	0.596	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-65.1	136.4	165.5	-76.9	-177.6	171.9	-173.2	0	109.6	A261 L265 D283	A261-K263 PolarHBondContact O-N 3.38Å; K263-L265 PolarHBondContact O-N 3.22Å; K263-D283 IonicContact NZ-OD1 3.61Å; K263-D283 PolarHBondContact NZ-OD1 2.87Å; K263-D283 IonicContact NZ-OD2 2.65Å; K263-D283 PolarHBondContact NZ-OD2 3.44Å
264	S	39	Very low	52.8	Low	93 Å²	93	116.3 Å²	116.3	65%	0.65	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-61.6	122.3	155.8	41.3	0	0	0	0	107.7	W266	S264-W266 PolarHBondContact O-N 3.09Å
265	L	45.5	Very low	55.1	Low	149 Å²	149	106.8 Å²	106.8	78%	0.78	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	12.5	-162.9	-97	106.4	0	0	0	116.2	K263	K263-L265 PolarHBondContact O-N 3.22Å
266	W	53.6	Low	57.5	Low	186 Å²	186	103.9 Å²	103.9	71%	0.705	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.4	27.4	-167.4	-56.9	88.2	0	0	0	115.7	S264	S264-W266 PolarHBondContact O-N 3.09Å
267	D	59.8	Low	60	Low	88 Å²	88	98.5 Å²	98.5	47%	0.471	50%	0.501	S	S	.	.			trans	-116.1	98.5	165.9	-68.7	-48.3	0	0	0	107.3	D269 N322	D267-D269 PolarHBondContact O-N 3.15Å; D267-N322 PolarHBondContact OD1-ND2 3.02Å; D267-N322 VanDerWaalsContact OD1-ND2 3.17Å
268	Y	71.9	Confident	62.1	Low	48 Å²	48	96.8 Å²	96.8	19%	0.188	49%	0.485	C	S	.	.			trans	-72	55.9	-174.9	-62.7	-86.9	0	0	0	112.6	A286 F287 H290 F291	Y268-A286 HydrophobicContact CD1-CB 4.34Å; Y268-A286 HydrophobicContact CE1-CB 4.48Å; Y268-F287 HydrophobicContact CG-CD2 4.42Å; Y268-F287 WeakPolarHBondContact O-CD2 3.36Å; Y268-H290 HydrophobicContact CD1-CB 4.48Å; Y268-H290 HydrophobicContact CE1-CB 3.97Å; Y268-H290 HydrophobicContact CE2-CB 4.3Å; Y268-H290 AromaticContact CE2-CD2 3.72Å; Y268-H290 AromaticContact CE2-CE1 3.96Å; Y268-H290 AromaticContact CE2-CG 3.7Å; Y268-H290 AromaticContact CE2-ND1 3.85Å; Y268-H290 AromaticContact CE2-NE2 3.89Å; Y268-H290 AromaticContact CZ-CD2 3.49Å; Y268-H290 VanDerWaalsContact CZ-CD2 3.49Å; Y268-H290 AromaticContact CZ-CG 3.6Å; Y268-H290 PolarHBondContact OH-CD2 3.28Å; Y268-F291 HydrophobicContact CD2-CE2 4.21Å
269	D	83.4	Confident	64.3	Low	27 Å²	27	96.2 Å²	96.2	14%	0.144	48%	0.476	C	S	.	.			trans	-84.3	143.3	-178.9	-67.7	-5.3	0	0	0	111.4	D267 K318 I319 K320 G321	D267-D269 PolarHBondContact O-N 3.15Å; D269-K318 IonicContact OD2-NZ 3.16Å; D269-I319 WeakPolarHBondContact CA-O 3.34Å; D269-I319 WeakPolarHBondContact CB-O 3.42Å; D269-K320 VanDerWaalsContact OD1-CA 3.25Å; D269-K320 WeakPolarHBondContact OD1-CA 3.39Å; D269-G321 PolarHBondContact OD1-N 2.91Å
270	F	84.5	Confident	66.6	Low	5 Å²	5	96.1 Å²	96.1	2%	0.022	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.8	178.3	62.2	-88.6	0	0	0	111.8	I272 I277 F284 F287 L302 I319 L324	F270-I272 HydrophobicContact CE2-CG1 4.25Å; F270-I277 HydrophobicContact CE2-CG1 4.42Å; F270-I277 HydrophobicContact CE2-CG2 4.35Å; F270-F284 HydrophobicContact CB-CB 4.33Å; F270-F284 HydrophobicContact CD1-CD2 4.06Å; F270-F284 AromaticContact CD2-CD2 3.74Å; F270-F284 HydrophobicContact CD2-CD2 3.74Å; F270-F284 HydrophobicContact CD2-CE2 4.4Å; F270-F284 HydrophobicContact CE1-CD2 4.07Å; F270-F284 HydrophobicContact CE1-CE2 4.41Å; F270-F284 AromaticContact CE2-CD2 3.74Å; F270-F284 HydrophobicContact CE2-CD2 3.74Å; F270-F284 AromaticContact CE2-CE2 3.94Å; F270-F284 HydrophobicContact CE2-CE2 3.94Å; F270-F284 HydrophobicContact CG-CB 4.44Å; F270-F284 AromaticContact CG-CD2 3.9Å; F270-F284 HydrophobicContact CG-CD2 3.9Å; F270-F284 AromaticContact CZ-CD2 3.9Å; F270-F284 HydrophobicContact CZ-CD2 3.9Å; F270-F284 AromaticContact CZ-CE2 3.94Å; F270-F284 HydrophobicContact CZ-CE2 3.94Å; F270-F287 HydrophobicContact CD1-CD1 4.24Å; F270-F287 HydrophobicContact CD1-CG 4.34Å; F270-F287 AromaticContact CE1-CD1 3.69Å; F270-F287 HydrophobicContact CE1-CD1 3.69Å; F270-F287 AromaticContact CE1-CE1 3.87Å; F270-F287 HydrophobicContact CE1-CE1 3.87Å; F270-F287 HydrophobicContact CE1-CG 4.16Å; F270-F287 HydrophobicContact CE1-CZ 4.48Å; F270-L302 HydrophobicContact CE2-CD2 4.19Å; F270-L302 HydrophobicContact CZ-CD1 4.17Å; F270-L302 HydrophobicContact CZ-CD2 3.75Å; F270-I319 HydrophobicContact CE1-CG2 4.08Å; F270-I319 HydrophobicContact CE2-CB 4.32Å; F270-I319 HydrophobicContact CE2-CD1 4.07Å; F270-I319 HydrophobicContact CZ-CB 4.26Å; F270-I319 HydrophobicContact CZ-CD1 4.22Å; F270-I319 HydrophobicContact CZ-CG2 3.99Å; F270-I319 PolarHBondContact N-O 3.13Å; F270-I319 PolarHBondContact O-N 3.19Å; F270-L324 HydrophobicContact CE1-CD2 4.39Å; F270-L324 HydrophobicContact CZ-CD2 4.24Å
271	L	84.3	Confident	68.4	Low	64 Å²	64	85.3 Å²	85.3	34%	0.335	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142	-176.2	-73.6	148.4	0	0	0	111	Y273 E316 K318	L271-Y273 HydrophobicContact CB-CD2 4.41Å; L271-Y273 HydrophobicContact CB-CE2 3.73Å; L271-E316 HydrophobicContact CD2-CG 4.17Å; L271-K318 HydrophobicContact CD2-CB 3.69Å; L271-K318 HydrophobicContact CD2-CD 4.2Å; L271-K318 HydrophobicContact CD2-CG 4.23Å; L271-K318 HydrophobicContact CG-CB 4.41Å; L271-K318 HydrophobicContact CG-CD 4.35Å; L271-K318 HydrophobicContact CG-CG 4.48Å
272	I	84.8	Confident	70.5	Confident	1 Å²	1	85.5 Å²	85.5	1%	0.005	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.1	167.6	-58.3	-162.5	0	0	0	108.2	F270 I277 V305 E306 L309 V317 I319	F270-I272 HydrophobicContact CE2-CG1 4.25Å; I272-I277 HydrophobicContact CD1-CD1 3.94Å; I272-I277 HydrophobicContact CD1-CG1 3.45Å; I272-I277 VanDerWaalsContact CD1-CG1 3.45Å; I272-I277 HydrophobicContact CG1-CG1 3.72Å; I272-I277 HydrophobicContact CG2-CG1 4.49Å; I272-V305 HydrophobicContact CD1-CG1 4.37Å; I272-E306 HydrophobicContact CD1-CG 4.48Å; I272-L309 HydrophobicContact CB-CD1 4.24Å; I272-L309 HydrophobicContact CD1-CD1 4.24Å; I272-L309 HydrophobicContact CG2-CD1 3.95Å; I272-V317 PolarHBondContact N-O 3.48Å; I272-V317 PolarHBondContact O-N 3.12Å; I272-I319 HydrophobicContact CD1-CD1 3.25Å; I272-I319 HydrophobicContact CD1-CG1 4.19Å; I272-I319 HydrophobicContact CG1-CD1 3.75Å; I272-I319 HydrophobicContact CG1-CG1 4.23Å
273	Y	81.8	Confident	72.8	Confident	111 Å²	111	76.7 Å²	76.7	44%	0.435	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.3	177.5	-69.5	-77.5	0	0	0	110.1	L271 G275 V276 E316	L271-Y273 HydrophobicContact CB-CD2 4.41Å; L271-Y273 HydrophobicContact CB-CE2 3.73Å; Y273-G275 PolarHBondContact O-N 3.48Å; Y273-V276 PolarHBondContact N-O 3.47Å; Y273-V276 PolarHBondContact O-N 3.23Å; Y273-V276 VanDerWaalsContact O-O 3.08Å; Y273-E316 HydrophobicContact CD1-CB 4.22Å; Y273-E316 HydrophobicContact CD1-CG 3.97Å; Y273-E316 HydrophobicContact CE1-CB 4.24Å; Y273-E316 HydrophobicContact CE1-CG 3.58Å; Y273-E316 WeakPolarHBondContact CE1-OE1 3.4Å; Y273-E316 PolarHBondContact OH-OE1 3.3Å
274	D	78.8	Confident	74.9	Confident	117 Å²	117	70.4 Å²	70.4	63%	0.626	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	31.7	-179.6	-66.4	-46.4	0	0	0	114.1	V276 P315	D274-V276 VanDerWaalsContact C-N 3.32Å; D274-V276 PolarHBondContact O-N 3.45Å; D274-P315 PolarHBondContact N-O 2.92Å; D274-P315 WeakPolarHBondContact OD1-CA 3.41Å
275	G	78.6	Confident	77	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	23	-176.5	0	0	0	0	0	114.6	Y273 E306 R310	Y273-G275 PolarHBondContact O-N 3.48Å; G275-E306 WeakPolarHBondContact O-CB 3.36Å; G275-R310 VanDerWaalsContact O-CZ 3.31Å; G275-R310 PolarHBondContact O-NE 2.88Å; G275-R310 PolarHBondContact O-NH2 3.32Å
276	V	81.9	Confident	78.6	Confident	78 Å²	78	64.5 Å²	64.5	47%	0.473	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.2	174.5	-174.6	0	0	0	0	109.4	Y273 D274	Y273-V276 PolarHBondContact N-O 3.47Å; Y273-V276 PolarHBondContact O-N 3.23Å; Y273-V276 VanDerWaalsContact O-O 3.08Å; D274-V276 VanDerWaalsContact C-N 3.32Å; D274-V276 PolarHBondContact O-N 3.45Å
277	I	83.9	Confident	80	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.5	175.3	-61.8	159.8	0	0	0	109.7	F270 I272 N279 F284 L302 E306	F270-I277 HydrophobicContact CE2-CG1 4.42Å; F270-I277 HydrophobicContact CE2-CG2 4.35Å; I272-I277 HydrophobicContact CD1-CD1 3.94Å; I272-I277 HydrophobicContact CD1-CG1 3.45Å; I272-I277 VanDerWaalsContact CD1-CG1 3.45Å; I272-I277 HydrophobicContact CG1-CG1 3.72Å; I272-I277 HydrophobicContact CG2-CG1 4.49Å; I277-N279 PolarHBondContact O-N 2.98Å; I277-F284 HydrophobicContact CG2-CD1 4.21Å; I277-F284 HydrophobicContact CG2-CD2 3.74Å; I277-F284 HydrophobicContact CG2-CE1 4.03Å; I277-F284 HydrophobicContact CG2-CE2 3.55Å; I277-F284 HydrophobicContact CG2-CG 4.06Å; I277-F284 HydrophobicContact CG2-CZ 3.69Å; I277-L302 HydrophobicContact CD1-CB 3.84Å; I277-L302 HydrophobicContact CD1-CD1 4.11Å; I277-L302 HydrophobicContact CD1-CD2 3.85Å; I277-L302 HydrophobicContact CD1-CG 4.15Å; I277-E306 WeakPolarHBondContact CB-OE1 3.39Å; I277-E306 HydrophobicContact CD1-CG 3.81Å; I277-E306 WeakPolarHBondContact CD1-OE1 3.43Å; I277-E306 HydrophobicContact CG1-CG 4.01Å; I277-E306 WeakPolarHBondContact CG1-OE1 3.29Å; I277-E306 PolarHBondContact N-OE1 3.15Å
278	D	82	Confident	81.1	Confident	80 Å²	80	55.7 Å²	55.7	43%	0.428	30%	0.303	S	S	.	.			trans	-79.3	101.1	170.4	-177	0	0	0	0	110.3	T280 A281	D278-T280 PolarHBondContact O-N 3.08Å; D278-T280 VanDerWaalsContact O-N 3.13Å; D278-T280 WeakPolarHBondContact OD1-CB 3.29Å; D278-T280 PolarHBondContact OD1-N 3.44Å; D278-T280 PolarHBondContact OD1-OG1 2.86Å; D278-A281 HydrophobicContact CB-CB 4.27Å; D278-A281 WeakPolarHBondContact O-CB 3.34Å; D278-A281 PolarHBondContact O-N 3.15Å
279	N	78.8	Confident	81.5	Confident	105 Å²	105	60.8 Å²	60.8	56%	0.561	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.7	180	-68.1	-40.1	0	0	0	114	I277 F284	I277-N279 PolarHBondContact O-N 2.98Å; N279-F284 VanDerWaalsContact OD1-CE1 3.29Å; N279-F284 WeakPolarHBondContact OD1-CE1 3.39Å
280	T	77.8	Confident	81.3	Confident	110 Å²	110	64.2 Å²	64.2	68%	0.675	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.1	179.5	67.2	0	0	0	0	113.2	D278	D278-T280 PolarHBondContact O-N 3.08Å; D278-T280 VanDerWaalsContact O-N 3.13Å; D278-T280 WeakPolarHBondContact OD1-CB 3.29Å; D278-T280 PolarHBondContact OD1-N 3.44Å; D278-T280 PolarHBondContact OD1-OG1 2.86Å
281	A	81.9	Confident	81.2	Confident	28 Å²	28	65.7 Å²	65.7	23%	0.231	35%	0.35	C	S	.	.			trans	-66.4	132.6	-179.5	0	0	0	0	0	111.3	D278 D283 F284 L285	D278-A281 HydrophobicContact CB-CB 4.27Å; D278-A281 WeakPolarHBondContact O-CB 3.34Å; D278-A281 PolarHBondContact O-N 3.15Å; A281-D283 VanDerWaalsContact C-N 3.27Å; A281-D283 PolarHBondContact O-N 3.46Å; A281-F284 HydrophobicContact CB-CB 4.24Å; A281-F284 PolarHBondContact O-N 2.88Å; A281-F284 VanDerWaalsContact O-N 3.12Å; A281-L285 PolarHBondContact O-N 3.43Å
282	P	76.9	Confident	80.9	Confident	100 Å²	100	66.4 Å²	66.4	65%	0.649	36%	0.361	S	S	*	.	H	α-helix	trans	-62.9	-33.5	-176.3	24.1	-33.3	0	0	0	112.6	A286	P282-A286 WeakPolarHBondContact O-CB 3.31Å; P282-A286 PolarHBondContact O-N 2.91Å
283	D	81.3	Confident	80.7	Confident	70 Å²	70	75 Å²	75	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-68.9	-35.4	177.7	-67.5	-25	0	0	0	111.6	K263 A281 F287	K263-D283 IonicContact NZ-OD1 3.61Å; K263-D283 PolarHBondContact NZ-OD1 2.87Å; K263-D283 IonicContact NZ-OD2 2.65Å; K263-D283 PolarHBondContact NZ-OD2 3.44Å; A281-D283 VanDerWaalsContact C-N 3.27Å; A281-D283 PolarHBondContact O-N 3.46Å; D283-F287 PolarHBondContact O-N 3.28Å; D283-F287 VanDerWaalsContact O-N 3.12Å
284	F	83.2	Confident	80.6	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.022	40%	0.4	C	S	.	.	H	α-helix	trans	-75.2	-38.4	176.3	-177.7	-105.4	0	0	0	112.3	F270 I277 N279 A281 F287 K288 W295 L302	F270-F284 HydrophobicContact CB-CB 4.33Å; F270-F284 HydrophobicContact CD1-CD2 4.06Å; F270-F284 AromaticContact CD2-CD2 3.74Å; F270-F284 HydrophobicContact CD2-CD2 3.74Å; F270-F284 HydrophobicContact CD2-CE2 4.4Å; F270-F284 HydrophobicContact CE1-CD2 4.07Å; F270-F284 HydrophobicContact CE1-CE2 4.41Å; F270-F284 AromaticContact CE2-CD2 3.74Å; F270-F284 HydrophobicContact CE2-CD2 3.74Å; F270-F284 AromaticContact CE2-CE2 3.94Å; F270-F284 HydrophobicContact CE2-CE2 3.94Å; F270-F284 HydrophobicContact CG-CB 4.44Å; F270-F284 AromaticContact CG-CD2 3.9Å; F270-F284 HydrophobicContact CG-CD2 3.9Å; F270-F284 AromaticContact CZ-CD2 3.9Å; F270-F284 HydrophobicContact CZ-CD2 3.9Å; F270-F284 AromaticContact CZ-CE2 3.94Å; F270-F284 HydrophobicContact CZ-CE2 3.94Å; I277-F284 HydrophobicContact CG2-CD1 4.21Å; I277-F284 HydrophobicContact CG2-CD2 3.74Å; I277-F284 HydrophobicContact CG2-CE1 4.03Å; I277-F284 HydrophobicContact CG2-CE2 3.55Å; I277-F284 HydrophobicContact CG2-CG 4.06Å; I277-F284 HydrophobicContact CG2-CZ 3.69Å; N279-F284 VanDerWaalsContact OD1-CE1 3.29Å; N279-F284 WeakPolarHBondContact OD1-CE1 3.39Å; A281-F284 HydrophobicContact CB-CB 4.24Å; A281-F284 PolarHBondContact O-N 2.88Å; A281-F284 VanDerWaalsContact O-N 3.12Å; F284-F287 PolarHBondContact O-N 3.35Å; F284-K288 WeakPolarHBondContact O-CB 3.46Å; F284-K288 PolarHBondContact O-N 3.49Å; F284-W295 HydrophobicContact CE1-CH2 4.1Å; F284-W295 HydrophobicContact CE1-CZ2 4.19Å; F284-W295 AromaticContact CE2-CH2 3.79Å; F284-W295 HydrophobicContact CE2-CH2 3.79Å; F284-W295 HydrophobicContact CE2-CZ2 4.47Å; F284-W295 AromaticContact CZ-CH2 3.47Å; F284-W295 HydrophobicContact CZ-CH2 3.47Å; F284-W295 VanDerWaalsContact CZ-CH2 3.47Å; F284-W295 AromaticContact CZ-CZ2 3.72Å; F284-W295 HydrophobicContact CZ-CZ2 3.72Å; F284-L302 HydrophobicContact CE2-CD1 4.04Å; F284-L302 HydrophobicContact CZ-CD1 4.5Å
285	L	81.4	Confident	80.9	Confident	78 Å²	78	67.9 Å²	67.9	41%	0.408	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174.1	-70.4	174.2	0	0	0	111.5	A281 F287 K288 E289	A281-L285 PolarHBondContact O-N 3.43Å; L285-F287 PolarHBondContact O-N 2.95Å; L285-K288 PolarHBondContact O-N 3.02Å; L285-E289 PolarHBondContact O-N 3.15Å
286	A	79.1	Confident	81	Confident	40 Å²	40	70.7 Å²	70.7	33%	0.331	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-40.4	174.2	0	0	0	0	0	112.4	Y268 P282 H290	Y268-A286 HydrophobicContact CD1-CB 4.34Å; Y268-A286 HydrophobicContact CE1-CB 4.48Å; P282-A286 WeakPolarHBondContact O-CB 3.31Å; P282-A286 PolarHBondContact O-N 2.91Å; A286-H290 WeakPolarHBondContact O-CB 3.37Å; A286-H290 PolarHBondContact O-N 3.35Å; A286-H290 VanDerWaalsContact O-N 3.17Å
287	F	83.7	Confident	81.1	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-43.8	172.6	-179.9	-109	0	0	0	111.8	Y268 F270 D283 F284 L285 H290 F291 W295 I298 L324 V325	Y268-F287 HydrophobicContact CG-CD2 4.42Å; Y268-F287 WeakPolarHBondContact O-CD2 3.36Å; F270-F287 HydrophobicContact CD1-CD1 4.24Å; F270-F287 HydrophobicContact CD1-CG 4.34Å; F270-F287 AromaticContact CE1-CD1 3.69Å; F270-F287 HydrophobicContact CE1-CD1 3.69Å; F270-F287 AromaticContact CE1-CE1 3.87Å; F270-F287 HydrophobicContact CE1-CE1 3.87Å; F270-F287 HydrophobicContact CE1-CG 4.16Å; F270-F287 HydrophobicContact CE1-CZ 4.48Å; D283-F287 PolarHBondContact O-N 3.28Å; D283-F287 VanDerWaalsContact O-N 3.12Å; F284-F287 PolarHBondContact O-N 3.35Å; L285-F287 PolarHBondContact O-N 2.95Å; F287-H290 PolarHBondContact O-N 2.9Å; F287-F291 AromaticContact CD2-CD2 3.45Å; F287-F291 HydrophobicContact CD2-CD2 3.45Å; F287-F291 VanDerWaalsContact CD2-CD2 3.45Å; F287-F291 AromaticContact CD2-CE2 3.54Å; F287-F291 HydrophobicContact CD2-CE2 3.54Å; F287-F291 AromaticContact CE2-CD2 3.3Å; F287-F291 HydrophobicContact CE2-CD2 3.3Å; F287-F291 AromaticContact CE2-CE2 3.34Å; F287-F291 HydrophobicContact CE2-CE2 3.34Å; F287-F291 HydrophobicContact CE2-CG 4.33Å; F287-F291 HydrophobicContact CE2-CZ 4.39Å; F287-F291 HydrophobicContact CG-CD2 4.22Å; F287-F291 AromaticContact CZ-CD2 3.95Å; F287-F291 HydrophobicContact CZ-CD2 3.95Å; F287-F291 HydrophobicContact CZ-CE2 4.32Å; F287-F291 WeakPolarHBondContact O-CD2 3.32Å; F287-F291 PolarHBondContact O-N 3.32Å; F287-F291 VanDerWaalsContact O-N 3.07Å; F287-W295 HydrophobicContact CD1-CH2 4.4Å; F287-W295 AromaticContact CD1-CZ3 3.86Å; F287-W295 HydrophobicContact CD1-CZ3 3.86Å; F287-W295 AromaticContact CE1-CZ3 4Å; F287-W295 HydrophobicContact CE1-CZ3 4Å; F287-I298 HydrophobicContact CE1-CG2 3.81Å; F287-I298 HydrophobicContact CZ-CG2 4.25Å; F287-L324 HydrophobicContact CE1-CD2 3.89Å; F287-L324 HydrophobicContact CZ-CD2 3.83Å; F287-V325 HydrophobicContact CE2-CG2 4.01Å; F287-V325 HydrophobicContact CZ-CG2 3.91Å
288	K	82.3	Confident	81.1	Confident	89 Å²	89	67.1 Å²	67.1	39%	0.387	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-41.2	179.4	-178.4	173.3	-177.7	-178	0	113.4	F284 L285 S292 W295	F284-K288 WeakPolarHBondContact O-CB 3.46Å; F284-K288 PolarHBondContact O-N 3.49Å; L285-K288 PolarHBondContact O-N 3.02Å; K288-S292 WeakPolarHBondContact O-CA 3.23Å; K288-S292 PolarHBondContact O-N 3.43Å; K288-W295 HydrophobicContact CB-CD2 4.49Å; K288-W295 HydrophobicContact CB-CE3 4.12Å; K288-W295 HydrophobicContact CB-CH2 3.62Å; K288-W295 HydrophobicContact CB-CZ2 4.06Å; K288-W295 HydrophobicContact CB-CZ3 3.67Å; K288-W295 HydrophobicContact CD-CD2 4.35Å; K288-W295 HydrophobicContact CD-CH2 4.03Å; K288-W295 HydrophobicContact CD-CZ2 3.55Å; K288-W295 HydrophobicContact CG-CD2 3.77Å; K288-W295 HydrophobicContact CG-CE3 3.86Å; K288-W295 HydrophobicContact CG-CG 4.5Å; K288-W295 HydrophobicContact CG-CH2 3.74Å; K288-W295 HydrophobicContact CG-CZ2 3.66Å; K288-W295 HydrophobicContact CG-CZ3 3.86Å
289	E	81.3	Confident	81.2	Confident	154 Å²	154	68 Å²	68	72%	0.72	39%	0.389	S	S	*	.	H	α-helix	trans	-65.1	-44.4	176.1	-77.8	-174.2	161.4	0	0	111.4	L285 F291 S292	L285-E289 PolarHBondContact O-N 3.15Å; E289-F291 PolarHBondContact O-N 3.41Å; E289-S292 WeakPolarHBondContact O-CB 3.25Å; E289-S292 PolarHBondContact O-N 3.3Å; E289-S292 PolarHBondContact O-OG 3.47Å
290	H	80.2	Confident	81.5	Confident	99 Å²	99	64.9 Å²	64.9	46%	0.458	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-40	-179	-174.9	-91.4	0	0	0	112.9	Y268 A286 F287	Y268-H290 HydrophobicContact CD1-CB 4.48Å; Y268-H290 HydrophobicContact CE1-CB 3.97Å; Y268-H290 HydrophobicContact CE2-CB 4.3Å; Y268-H290 AromaticContact CE2-CD2 3.72Å; Y268-H290 AromaticContact CE2-CE1 3.96Å; Y268-H290 AromaticContact CE2-CG 3.7Å; Y268-H290 AromaticContact CE2-ND1 3.85Å; Y268-H290 AromaticContact CE2-NE2 3.89Å; Y268-H290 AromaticContact CZ-CD2 3.49Å; Y268-H290 VanDerWaalsContact CZ-CD2 3.49Å; Y268-H290 AromaticContact CZ-CG 3.6Å; Y268-H290 PolarHBondContact OH-CD2 3.28Å; A286-H290 WeakPolarHBondContact O-CB 3.37Å; A286-H290 PolarHBondContact O-N 3.35Å; A286-H290 VanDerWaalsContact O-N 3.17Å; F287-H290 PolarHBondContact O-N 2.9Å
291	F	81.4	Confident	81.9	Confident	36 Å²	36	59.7 Å²	59.7	16%	0.158	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	28	-179.1	-62.6	-76.5	0	0	0	113.8	Y268 F287 E289 L293 A294 W295 I298 V325	Y268-F291 HydrophobicContact CD2-CE2 4.21Å; F287-F291 AromaticContact CD2-CD2 3.45Å; F287-F291 HydrophobicContact CD2-CD2 3.45Å; F287-F291 VanDerWaalsContact CD2-CD2 3.45Å; F287-F291 AromaticContact CD2-CE2 3.54Å; F287-F291 HydrophobicContact CD2-CE2 3.54Å; F287-F291 AromaticContact CE2-CD2 3.3Å; F287-F291 HydrophobicContact CE2-CD2 3.3Å; F287-F291 AromaticContact CE2-CE2 3.34Å; F287-F291 HydrophobicContact CE2-CE2 3.34Å; F287-F291 HydrophobicContact CE2-CG 4.33Å; F287-F291 HydrophobicContact CE2-CZ 4.39Å; F287-F291 HydrophobicContact CG-CD2 4.22Å; F287-F291 AromaticContact CZ-CD2 3.95Å; F287-F291 HydrophobicContact CZ-CD2 3.95Å; F287-F291 HydrophobicContact CZ-CE2 4.32Å; F287-F291 WeakPolarHBondContact O-CD2 3.32Å; F287-F291 PolarHBondContact O-N 3.32Å; F287-F291 VanDerWaalsContact O-N 3.07Å; E289-F291 PolarHBondContact O-N 3.41Å; F291-L293 VanDerWaalsContact C-N 3.26Å; F291-L293 PolarHBondContact O-N 3.22Å; F291-L293 VanDerWaalsContact O-N 3.17Å; F291-A294 PolarHBondContact O-N 3.3Å; F291-W295 PolarHBondContact O-N 3.23Å; F291-W295 VanDerWaalsContact O-N 3.17Å; F291-I298 HydrophobicContact CB-CD1 3.68Å; F291-I298 HydrophobicContact CG-CD1 4.27Å; F291-V325 HydrophobicContact CD1-CG1 4.38Å; F291-V325 HydrophobicContact CD1-CG2 3.96Å; F291-V325 HydrophobicContact CD2-CG2 4.26Å; F291-V325 HydrophobicContact CE1-CB 4.46Å; F291-V325 HydrophobicContact CE1-CG1 4.08Å; F291-V325 HydrophobicContact CE1-CG2 3.83Å; F291-V325 HydrophobicContact CE2-CG2 4.14Å; F291-V325 HydrophobicContact CG-CG2 4.17Å; F291-V325 HydrophobicContact CZ-CG2 3.91Å
292	S	78.3	Confident	82.1	Confident	80 Å²	80	58.5 Å²	58.5	56%	0.559	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-55.3	-34.4	-176	53.1	0	0	0	0	114.5	K288 E289 A294	K288-S292 WeakPolarHBondContact O-CA 3.23Å; K288-S292 PolarHBondContact O-N 3.43Å; E289-S292 WeakPolarHBondContact O-CB 3.25Å; E289-S292 PolarHBondContact O-N 3.3Å; E289-S292 PolarHBondContact O-OG 3.47Å; S292-A294 PolarHBondContact O-N 3.49Å
293	L	79.4	Confident	82.5	Confident	180 Å²	180	58.5 Å²	58.5	94%	0.942	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-69.3	-28.1	178.3	-68.1	171.5	0	0	0	113.8	F291	F291-L293 VanDerWaalsContact C-N 3.26Å; F291-L293 PolarHBondContact O-N 3.22Å; F291-L293 VanDerWaalsContact O-N 3.17Å
294	A	80.1	Confident	82.7	Confident	39 Å²	39	58.4 Å²	58.4	32%	0.322	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-108.4	10.4	-178.5	0	0	0	0	0	112.8	F291 S292 G296 G297 I298 L328	F291-A294 PolarHBondContact O-N 3.3Å; S292-A294 PolarHBondContact O-N 3.49Å; A294-G296 VanDerWaalsContact C-N 3.3Å; A294-G296 PolarHBondContact O-N 3.16Å; A294-G297 PolarHBondContact O-N 2.94Å; A294-I298 HydrophobicContact CB-CD1 4.12Å; A294-I298 WeakPolarHBondContact O-CG1 3.49Å; A294-I298 PolarHBondContact O-N 3.45Å; A294-L328 HydrophobicContact CB-CD2 4.09Å
295	W	85.6	Confident	82.8	Confident	40 Å²	40	58.2 Å²	58.2	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-33.7	-168.1	-171.4	-107.7	0	0	0	114	F284 F287 K288 F291 G297 I298 F299	F284-W295 HydrophobicContact CE1-CH2 4.1Å; F284-W295 HydrophobicContact CE1-CZ2 4.19Å; F284-W295 AromaticContact CE2-CH2 3.79Å; F284-W295 HydrophobicContact CE2-CH2 3.79Å; F284-W295 HydrophobicContact CE2-CZ2 4.47Å; F284-W295 AromaticContact CZ-CH2 3.47Å; F284-W295 HydrophobicContact CZ-CH2 3.47Å; F284-W295 VanDerWaalsContact CZ-CH2 3.47Å; F284-W295 AromaticContact CZ-CZ2 3.72Å; F284-W295 HydrophobicContact CZ-CZ2 3.72Å; F287-W295 HydrophobicContact CD1-CH2 4.4Å; F287-W295 AromaticContact CD1-CZ3 3.86Å; F287-W295 HydrophobicContact CD1-CZ3 3.86Å; F287-W295 AromaticContact CE1-CZ3 4Å; F287-W295 HydrophobicContact CE1-CZ3 4Å; K288-W295 HydrophobicContact CB-CD2 4.49Å; K288-W295 HydrophobicContact CB-CE3 4.12Å; K288-W295 HydrophobicContact CB-CH2 3.62Å; K288-W295 HydrophobicContact CB-CZ2 4.06Å; K288-W295 HydrophobicContact CB-CZ3 3.67Å; K288-W295 HydrophobicContact CD-CD2 4.35Å; K288-W295 HydrophobicContact CD-CH2 4.03Å; K288-W295 HydrophobicContact CD-CZ2 3.55Å; K288-W295 HydrophobicContact CG-CD2 3.77Å; K288-W295 HydrophobicContact CG-CE3 3.86Å; K288-W295 HydrophobicContact CG-CG 4.5Å; K288-W295 HydrophobicContact CG-CH2 3.74Å; K288-W295 HydrophobicContact CG-CZ2 3.66Å; K288-W295 HydrophobicContact CG-CZ3 3.86Å; F291-W295 PolarHBondContact O-N 3.23Å; F291-W295 VanDerWaalsContact O-N 3.17Å; W295-G297 PolarHBondContact O-N 3.43Å; W295-I298 HydrophobicContact CE3-CB 4.46Å; W295-I298 HydrophobicContact CE3-CG2 4.23Å; W295-I298 HydrophobicContact CZ3-CG2 4.08Å; W295-I298 PolarHBondContact O-N 3.44Å; W295-F299 VanDerWaalsContact O-CB 3.24Å; W295-F299 WeakPolarHBondContact O-CB 3.23Å; W295-F299 PolarHBondContact O-N 3.47Å
296	G	81.3	Confident	83	Confident	60 Å²	60	56 Å²	56	62%	0.619	31%	0.308	S	S	*	.	H	α-helix	trans	-60.4	-44.9	-179.7	0	0	0	0	0	113.3	A294 S300	A294-G296 VanDerWaalsContact C-N 3.3Å; A294-G296 PolarHBondContact O-N 3.16Å; G296-S300 PolarHBondContact O-N 3.35Å
297	G	83.4	Confident	83.4	Confident	16 Å²	16	60.5 Å²	60.5	17%	0.165	32%	0.32	C	S	.	.	H	α-helix	trans	-71.3	-41.2	176.8	0	0	0	0	0	112.2	A294 W295 F299 S300 L301	A294-G297 PolarHBondContact O-N 2.94Å; W295-G297 PolarHBondContact O-N 3.43Å; G297-F299 VanDerWaalsContact C-N 3.3Å; G297-F299 PolarHBondContact O-N 3.28Å; G297-S300 PolarHBondContact O-N 2.91Å; G297-L301 PolarHBondContact O-N 3.38Å
298	I	84	Confident	83.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-40.3	177.3	-65.8	171.7	0	0	0	111	F287 F291 A294 W295 L301 L302 L324 V325 L328	F287-I298 HydrophobicContact CE1-CG2 3.81Å; F287-I298 HydrophobicContact CZ-CG2 4.25Å; F291-I298 HydrophobicContact CB-CD1 3.68Å; F291-I298 HydrophobicContact CG-CD1 4.27Å; A294-I298 HydrophobicContact CB-CD1 4.12Å; A294-I298 WeakPolarHBondContact O-CG1 3.49Å; A294-I298 PolarHBondContact O-N 3.45Å; W295-I298 HydrophobicContact CE3-CB 4.46Å; W295-I298 HydrophobicContact CE3-CG2 4.23Å; W295-I298 HydrophobicContact CZ3-CG2 4.08Å; W295-I298 PolarHBondContact O-N 3.44Å; I298-L301 PolarHBondContact O-N 2.87Å; I298-L302 HydrophobicContact CG2-CD1 3.93Å; I298-L302 HydrophobicContact CG2-CG 4.45Å; I298-L302 WeakPolarHBondContact O-CB 3.34Å; I298-L302 WeakPolarHBondContact O-CG 3.38Å; I298-L302 PolarHBondContact O-N 2.95Å; I298-L324 HydrophobicContact CG2-CD2 3.99Å; I298-V325 HydrophobicContact CD1-CG2 4.1Å; I298-L328 HydrophobicContact CD1-CD2 4.47Å; I298-L328 HydrophobicContact CG1-CD1 4.12Å; I298-L328 HydrophobicContact CG1-CD2 3.81Å
299	F	84.2	Confident	83.7	Confident	100 Å²	100	57 Å²	57	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-47.6	177.3	-177	-96.5	0	0	0	111.7	W295 G297 L301 L302 E303	W295-F299 VanDerWaalsContact O-CB 3.24Å; W295-F299 WeakPolarHBondContact O-CB 3.23Å; W295-F299 PolarHBondContact O-N 3.47Å; G297-F299 VanDerWaalsContact C-N 3.3Å; G297-F299 PolarHBondContact O-N 3.28Å; F299-L301 VanDerWaalsContact C-N 3.33Å; F299-L301 PolarHBondContact O-N 3.48Å; F299-L302 PolarHBondContact O-N 3.32Å; F299-E303 HydrophobicContact CD1-CG 4.48Å; F299-E303 HydrophobicContact CE1-CG 4.12Å; F299-E303 WeakPolarHBondContact CE1-OE1 3.39Å; F299-E303 HydrophobicContact CZ-CG 4.46Å; F299-E303 PolarHBondContact O-N 3.11Å
300	S	84.9	Confident	84	Confident	39 Å²	39	53.4 Å²	53.4	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-35.7	177.8	-174.1	0	0	0	0	112.7	G296 G297 E303 H304	G296-S300 PolarHBondContact O-N 3.35Å; G297-S300 PolarHBondContact O-N 2.91Å; S300-E303 PolarHBondContact O-N 3.48Å; S300-H304 PolarHBondContact O-N 3.48Å; S300-H304 PolarHBondContact O-ND1 2.7Å
301	L	85.4	Confident	84.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.4	173.1	178.7	57.5	0	0	0	111.3	G297 I298 F299 E303 H304 V305 L324 L327 L328 F331 L337	G297-L301 PolarHBondContact O-N 3.38Å; I298-L301 PolarHBondContact O-N 2.87Å; F299-L301 VanDerWaalsContact C-N 3.33Å; F299-L301 PolarHBondContact O-N 3.48Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E303 PolarHBondContact O-N 2.83Å; L301-H304 WeakPolarHBondContact O-CB 3.4Å; L301-H304 PolarHBondContact O-N 3.34Å; L301-H304 VanDerWaalsContact O-N 3.13Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 2.93Å; L301-V305 VanDerWaalsContact O-N 3.09Å; L301-L324 HydrophobicContact CD2-CD1 3.65Å; L301-L324 HydrophobicContact CD2-CG 4.14Å; L301-L324 WeakPolarHBondContact CD2-O 3.22Å; L301-L324 HydrophobicContact CG-CD1 3.88Å; L301-L327 HydrophobicContact CD1-CD2 4.18Å; L301-L327 HydrophobicContact CD2-CB 4.35Å; L301-L327 HydrophobicContact CD2-CD2 4.44Å; L301-L328 HydrophobicContact CD2-CD1 4.46Å; L301-F331 HydrophobicContact CB-CD1 3.81Å; L301-F331 HydrophobicContact CB-CE1 3.94Å; L301-F331 HydrophobicContact CB-CG 4.27Å; L301-F331 HydrophobicContact CB-CZ 4.5Å; L301-F331 HydrophobicContact CD1-CB 4.08Å; L301-F331 HydrophobicContact CD1-CD1 4.19Å; L301-F331 HydrophobicContact CD1-CD2 3.86Å; L301-F331 HydrophobicContact CD1-CE2 4.34Å; L301-F331 HydrophobicContact CD1-CG 3.77Å; L301-F331 HydrophobicContact CG-CD1 4.49Å; L301-F331 HydrophobicContact CG-CG 4.49Å; L301-L337 HydrophobicContact CD1-CD1 3.39Å; L301-L337 HydrophobicContact CD1-CD2 4.25Å; L301-L337 HydrophobicContact CD1-CG 4.42Å
302	L	85.8	Confident	84.4	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-37.3	176.7	-77.4	169.1	0	0	0	112.5	F270 I277 F284 I298 F299 H304 V305 E306 I319 L324	F270-L302 HydrophobicContact CE2-CD2 4.19Å; F270-L302 HydrophobicContact CZ-CD1 4.17Å; F270-L302 HydrophobicContact CZ-CD2 3.75Å; I277-L302 HydrophobicContact CD1-CB 3.84Å; I277-L302 HydrophobicContact CD1-CD1 4.11Å; I277-L302 HydrophobicContact CD1-CD2 3.85Å; I277-L302 HydrophobicContact CD1-CG 4.15Å; F284-L302 HydrophobicContact CE2-CD1 4.04Å; F284-L302 HydrophobicContact CZ-CD1 4.5Å; I298-L302 HydrophobicContact CG2-CD1 3.93Å; I298-L302 HydrophobicContact CG2-CG 4.45Å; I298-L302 WeakPolarHBondContact O-CB 3.34Å; I298-L302 WeakPolarHBondContact O-CG 3.38Å; I298-L302 PolarHBondContact O-N 2.95Å; F299-L302 PolarHBondContact O-N 3.32Å; L302-H304 VanDerWaalsContact C-N 3.25Å; L302-H304 PolarHBondContact O-N 3.33Å; L302-V305 PolarHBondContact O-N 3.28Å; L302-V305 VanDerWaalsContact O-N 3.15Å; L302-E306 WeakPolarHBondContact O-CB 3.48Å; L302-E306 WeakPolarHBondContact O-CG 3.43Å; L302-E306 PolarHBondContact O-N 2.9Å; L302-I319 HydrophobicContact CD2-CD1 3.92Å; L302-L324 HydrophobicContact CD1-CD2 4.17Å; L302-L324 HydrophobicContact CD2-CD1 4.06Å; L302-L324 HydrophobicContact CD2-CD2 3.69Å; L302-L324 HydrophobicContact CG-CD1 4.45Å; L302-L324 HydrophobicContact CG-CD2 3.92Å
303	E	86.4	Confident	84.8	Confident	99 Å²	99	47.1 Å²	47.1	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-36.8	172.6	-71.7	-175.6	145.5	0	0	112.3	F299 S300 L301 K307	F299-E303 HydrophobicContact CD1-CG 4.48Å; F299-E303 HydrophobicContact CE1-CG 4.12Å; F299-E303 WeakPolarHBondContact CE1-OE1 3.39Å; F299-E303 HydrophobicContact CZ-CG 4.46Å; F299-E303 PolarHBondContact O-N 3.11Å; S300-E303 PolarHBondContact O-N 3.48Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E303 PolarHBondContact O-N 2.83Å; E303-K307 WeakPolarHBondContact O-CB 3.44Å; E303-K307 PolarHBondContact O-N 3.35Å
304	H	84.9	Confident	85.1	Confident	68 Å²	68	38.7 Å²	38.7	32%	0.315	21%	0.21	S	C	.	.	H	α-helix	trans	-69.6	-38.9	175.8	-74.3	74.4	0	0	0	112.3	S300 L301 L302 F308 F331 L337	S300-H304 PolarHBondContact O-N 3.48Å; S300-H304 PolarHBondContact O-ND1 2.7Å; L301-H304 WeakPolarHBondContact O-CB 3.4Å; L301-H304 PolarHBondContact O-N 3.34Å; L301-H304 VanDerWaalsContact O-N 3.13Å; L302-H304 VanDerWaalsContact C-N 3.25Å; L302-H304 PolarHBondContact O-N 3.33Å; H304-F308 WeakPolarHBondContact O-CB 3.28Å; H304-F308 PolarHBondContact O-N 3.2Å; H304-F331 AromaticContact CE1-CE2 3.78Å; H304-F331 AromaticContact CE1-CZ 3.61Å; H304-F331 AromaticContact CG-CE2 3.97Å; H304-F331 AromaticContact ND1-CE2 3.7Å; H304-F331 AromaticContact ND1-CZ 3.5Å; H304-L337 HydrophobicContact CB-CD1 3.79Å
305	V	85.4	Confident	85.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-48.3	175.4	177.5	0	0	0	0	110.3	I272 L301 L302 K307 F308 L309 I319 L342	I272-V305 HydrophobicContact CD1-CG1 4.37Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 2.93Å; L301-V305 VanDerWaalsContact O-N 3.09Å; L302-V305 PolarHBondContact O-N 3.28Å; L302-V305 VanDerWaalsContact O-N 3.15Å; V305-K307 PolarHBondContact O-N 3.11Å; V305-F308 WeakPolarHBondContact O-CB 3.48Å; V305-F308 PolarHBondContact O-N 3.48Å; V305-L309 HydrophobicContact CG1-CD1 4.03Å; V305-L309 HydrophobicContact CG1-CG 4.36Å; V305-L309 VanDerWaalsContact O-CG 3.29Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 3.5Å; V305-I319 HydrophobicContact CG1-CD1 3.95Å; V305-L342 HydrophobicContact CG2-CD2 3.79Å
306	E	86.5	Confident	85	Confident	31 Å²	31	43.3 Å²	43.3	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-48.9	174.3	-74.7	-164.2	151.7	0	0	111.6	I272 G275 I277 L302 F308 L309 R310	I272-E306 HydrophobicContact CD1-CG 4.48Å; G275-E306 WeakPolarHBondContact O-CB 3.36Å; I277-E306 WeakPolarHBondContact CB-OE1 3.39Å; I277-E306 HydrophobicContact CD1-CG 3.81Å; I277-E306 WeakPolarHBondContact CD1-OE1 3.43Å; I277-E306 HydrophobicContact CG1-CG 4.01Å; I277-E306 WeakPolarHBondContact CG1-OE1 3.29Å; I277-E306 PolarHBondContact N-OE1 3.15Å; L302-E306 WeakPolarHBondContact O-CB 3.48Å; L302-E306 WeakPolarHBondContact O-CG 3.43Å; L302-E306 PolarHBondContact O-N 2.9Å; E306-F308 VanDerWaalsContact C-N 3.3Å; E306-F308 PolarHBondContact O-N 3.15Å; E306-L309 PolarHBondContact O-N 3Å; E306-R310 WeakPolarHBondContact O-CB 3.33Å; E306-R310 VanDerWaalsContact O-CG 3.32Å; E306-R310 WeakPolarHBondContact O-CG 3.36Å; E306-R310 PolarHBondContact O-N 3.02Å; E306-R310 IonicContact OE1-NH2 2.74Å; E306-R310 IonicContact OE2-CZ 2.94Å; E306-R310 IonicContact OE2-NH2 3.01Å; E306-R310 PolarHBondContact OE2-NH2 3.09Å
307	K	86.8	Confident	85.3	Confident	135 Å²	135	40.9 Å²	40.9	59%	0.587	21%	0.206	S	C	*	.	H	α-helix	trans	-60.4	-39.9	178.2	-176.6	175.6	-177.5	175.6	0	112	E303 V305 N311	E303-K307 WeakPolarHBondContact O-CB 3.44Å; E303-K307 PolarHBondContact O-N 3.35Å; V305-K307 PolarHBondContact O-N 3.11Å; K307-N311 VanDerWaalsContact O-CB 3.27Å; K307-N311 WeakPolarHBondContact O-CB 3.33Å; K307-N311 VanDerWaalsContact O-CG 3.26Å; K307-N311 PolarHBondContact O-N 3.24Å; K307-N311 PolarHBondContact O-ND2 2.93Å
308	F	86.6	Confident	85.4	Confident	16 Å²	16	43.4 Å²	43.4	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-46.5	175.8	175.2	-106.3	0	0	0	111.7	H304 V305 E306 R310 N311 Y312 R339 L342 L343 I356	H304-F308 WeakPolarHBondContact O-CB 3.28Å; H304-F308 PolarHBondContact O-N 3.2Å; V305-F308 WeakPolarHBondContact O-CB 3.48Å; V305-F308 PolarHBondContact O-N 3.48Å; E306-F308 VanDerWaalsContact C-N 3.3Å; E306-F308 PolarHBondContact O-N 3.15Å; F308-R310 PolarHBondContact O-N 3.21Å; F308-N311 WeakPolarHBondContact O-CB 3.46Å; F308-N311 PolarHBondContact O-N 3Å; F308-Y312 HydrophobicContact CD2-CD2 4.09Å; F308-Y312 AromaticContact CD2-CE2 3.99Å; F308-Y312 HydrophobicContact CD2-CE2 3.99Å; F308-Y312 AromaticContact CE2-CD2 3.95Å; F308-Y312 HydrophobicContact CE2-CD2 3.95Å; F308-Y312 AromaticContact CE2-CE2 3.7Å; F308-Y312 HydrophobicContact CE2-CE2 3.7Å; F308-Y312 HydrophobicContact CZ-CD2 4.49Å; F308-Y312 WeakPolarHBondContact O-CD2 3.28Å; F308-Y312 PolarHBondContact O-N 2.98Å; F308-R339 HydrophobicContact CE2-CG 4.23Å; F308-L342 HydrophobicContact CB-CD1 3.86Å; F308-L342 HydrophobicContact CD1-CB 4.11Å; F308-L342 HydrophobicContact CD1-CD1 4.26Å; F308-L342 HydrophobicContact CD2-CD1 3.65Å; F308-L342 HydrophobicContact CE1-CB 4.18Å; F308-L342 HydrophobicContact CE2-CD1 4.19Å; F308-L342 HydrophobicContact CG-CB 4.37Å; F308-L342 HydrophobicContact CG-CD1 3.67Å; F308-L343 HydrophobicContact CE1-CD2 4.39Å; F308-I356 HydrophobicContact CE1-CD1 3.88Å; F308-I356 HydrophobicContact CE2-CD1 4.42Å; F308-I356 HydrophobicContact CZ-CD1 3.45Å; F308-I356 VanDerWaalsContact CZ-CD1 3.45Å
309	L	86.3	Confident	85.5	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-41.2	178.7	-63.7	178.3	0	0	0	111.9	I272 V305 E306 N311 Y312 A313 I314 V317	I272-L309 HydrophobicContact CB-CD1 4.24Å; I272-L309 HydrophobicContact CD1-CD1 4.24Å; I272-L309 HydrophobicContact CG2-CD1 3.95Å; V305-L309 HydrophobicContact CG1-CD1 4.03Å; V305-L309 HydrophobicContact CG1-CG 4.36Å; V305-L309 VanDerWaalsContact O-CG 3.29Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 3.5Å; E306-L309 PolarHBondContact O-N 3Å; L309-N311 PolarHBondContact O-N 3.48Å; L309-Y312 CarbonylContact O-C 3.5Å; L309-Y312 PolarHBondContact O-N 3.38Å; L309-A313 PolarHBondContact O-N 3.47Å; L309-I314 HydrophobicContact CB-CB 4.47Å; L309-I314 HydrophobicContact CD2-CB 4Å; L309-I314 HydrophobicContact CD2-CD1 3.47Å; L309-I314 VanDerWaalsContact CD2-CD1 3.47Å; L309-I314 HydrophobicContact CD2-CG1 4.32Å; L309-I314 HydrophobicContact CD2-CG2 4.15Å; L309-I314 PolarHBondContact O-N 3.22Å; L309-I314 VanDerWaalsContact O-N 3.08Å; L309-V317 HydrophobicContact CD1-CB 4.19Å; L309-V317 HydrophobicContact CD1-CG2 4.06Å; L309-V317 HydrophobicContact CD2-CG2 3.77Å
310	R	86.1	Confident	85.5	Confident	77 Å²	77	42.1 Å²	42.1	29%	0.291	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-37.4	173.7	-70.2	-178.6	-164.3	157	15.4	112.9	G275 E306 F308 Y312 A313 G365 Q366	G275-R310 VanDerWaalsContact O-CZ 3.31Å; G275-R310 PolarHBondContact O-NE 2.88Å; G275-R310 PolarHBondContact O-NH2 3.32Å; E306-R310 WeakPolarHBondContact O-CB 3.33Å; E306-R310 VanDerWaalsContact O-CG 3.32Å; E306-R310 WeakPolarHBondContact O-CG 3.36Å; E306-R310 PolarHBondContact O-N 3.02Å; E306-R310 IonicContact OE1-NH2 2.74Å; E306-R310 IonicContact OE2-CZ 2.94Å; E306-R310 IonicContact OE2-NH2 3.01Å; E306-R310 PolarHBondContact OE2-NH2 3.09Å; F308-R310 PolarHBondContact O-N 3.21Å; R310-Y312 PolarHBondContact O-N 3.4Å; R310-A313 PolarHBondContact O-N 2.92Å; R310-G365 WeakPolarHBondContact O-CA 3.33Å; R310-Q366 HydrophobicContact CB-CB 4.45Å; R310-Q366 VanDerWaalsContact CD-OE1 3.3Å; R310-Q366 PolarHBondContact O-N 3.49Å; R310-Q366 VanDerWaalsContact O-N 3.09Å
311	N	86.1	Confident	85.3	Confident	24 Å²	24	40.2 Å²	40.2	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-24.5	178.7	-90	-41.1	0	0	0	114	K307 F308 L309 R362	K307-N311 VanDerWaalsContact O-CB 3.27Å; K307-N311 WeakPolarHBondContact O-CB 3.33Å; K307-N311 VanDerWaalsContact O-CG 3.26Å; K307-N311 PolarHBondContact O-N 3.24Å; K307-N311 PolarHBondContact O-ND2 2.93Å; F308-N311 WeakPolarHBondContact O-CB 3.46Å; F308-N311 PolarHBondContact O-N 3Å; L309-N311 PolarHBondContact O-N 3.48Å; N311-R362 PolarHBondContact O-NH1 3.2Å; N311-R362 PolarHBondContact OD1-NH1 3.28Å; N311-R362 PolarHBondContact OD1-NH2 3.22Å
312	Y	85.7	Confident	85.1	Confident	19 Å²	19	43.8 Å²	43.8	8%	0.075	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	6.5	179.3	-72.5	-85.7	0	0	0	113.3	F308 L309 R310 I314 R339 I356 Q361 R362	F308-Y312 HydrophobicContact CD2-CD2 4.09Å; F308-Y312 AromaticContact CD2-CE2 3.99Å; F308-Y312 HydrophobicContact CD2-CE2 3.99Å; F308-Y312 AromaticContact CE2-CD2 3.95Å; F308-Y312 HydrophobicContact CE2-CD2 3.95Å; F308-Y312 AromaticContact CE2-CE2 3.7Å; F308-Y312 HydrophobicContact CE2-CE2 3.7Å; F308-Y312 HydrophobicContact CZ-CD2 4.49Å; F308-Y312 WeakPolarHBondContact O-CD2 3.28Å; F308-Y312 PolarHBondContact O-N 2.98Å; L309-Y312 CarbonylContact O-C 3.5Å; L309-Y312 PolarHBondContact O-N 3.38Å; R310-Y312 PolarHBondContact O-N 3.4Å; Y312-I314 PolarHBondContact O-N 2.85Å; Y312-R339 PolarHBondContact OH-NE 3.46Å; Y312-R339 PolarHBondContact OH-NH2 2.99Å; Y312-I356 HydrophobicContact CD1-CB 4.22Å; Y312-I356 HydrophobicContact CD1-CG1 3.95Å; Y312-I356 HydrophobicContact CD1-CG2 3.92Å; Y312-I356 HydrophobicContact CD2-CG1 4.49Å; Y312-I356 HydrophobicContact CE1-CB 4.42Å; Y312-I356 HydrophobicContact CE1-CG1 4.46Å; Y312-I356 HydrophobicContact CE1-CG2 3.62Å; Y312-I356 HydrophobicContact CG-CG1 3.97Å; Y312-Q361 WeakPolarHBondContact O-CG 3.42Å; Y312-Q361 PolarHBondContact O-NE2 3.36Å; Y312-R362 HydrophobicContact CD1-CB 4.28Å; Y312-R362 HydrophobicContact CE1-CB 3.93Å; Y312-R362 HydrophobicContact CE1-CG 4.4Å
313	A	85.8	Confident	85	Confident	40 Å²	40	46.9 Å²	46.9	33%	0.331	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	55.2	-178	0	0	0	0	0	112.2	L309 R310 Q361 K364	L309-A313 PolarHBondContact O-N 3.47Å; R310-A313 PolarHBondContact O-N 2.92Å; A313-Q361 PolarHBondContact O-NE2 3.28Å; A313-K364 HydrophobicContact CB-CB 4.09Å
314	I	85.6	Confident	84.9	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	21%	0.207	C	C	.	.			trans	-88.1	121.8	179.7	-61.6	162.3	0	0	0	108.3	L309 Y312 V317 V352 I356	L309-I314 HydrophobicContact CB-CB 4.47Å; L309-I314 HydrophobicContact CD2-CB 4Å; L309-I314 HydrophobicContact CD2-CD1 3.47Å; L309-I314 VanDerWaalsContact CD2-CD1 3.47Å; L309-I314 HydrophobicContact CD2-CG1 4.32Å; L309-I314 HydrophobicContact CD2-CG2 4.15Å; L309-I314 PolarHBondContact O-N 3.22Å; L309-I314 VanDerWaalsContact O-N 3.08Å; Y312-I314 PolarHBondContact O-N 2.85Å; I314-V317 HydrophobicContact CB-CG2 4.45Å; I314-V317 HydrophobicContact CG2-CG2 3.36Å; I314-V352 HydrophobicContact CD1-CG1 3.45Å; I314-V352 VanDerWaalsContact CD1-CG1 3.45Å; I314-V352 HydrophobicContact CG1-CG1 4.32Å; I314-V352 HydrophobicContact CG2-CG1 4.33Å; I314-V352 HydrophobicContact CG2-CG2 4.46Å; I314-I356 HydrophobicContact CD1-CD1 4.22Å; I314-I356 HydrophobicContact CD1-CG1 4.14Å
315	P	80.6	Confident	84.8	Confident	71 Å²	71	40.7 Å²	40.7	46%	0.461	20%	0.203	S	C	.	.			trans	-79.1	-38.4	-165.4	28.3	-34.7	0	0	0	114.7	D274	D274-P315 PolarHBondContact N-O 2.92Å; D274-P315 WeakPolarHBondContact OD1-CA 3.41Å
316	E	83.8	Confident	84.7	Confident	106 Å²	106	44.2 Å²	44.2	50%	0.495	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	131.6	-179.1	-178.7	173.5	-163.7	0	0	109.6	L271 Y273	L271-E316 HydrophobicContact CD2-CG 4.17Å; Y273-E316 HydrophobicContact CD1-CB 4.22Å; Y273-E316 HydrophobicContact CD1-CG 3.97Å; Y273-E316 HydrophobicContact CE1-CB 4.24Å; Y273-E316 HydrophobicContact CE1-CG 3.58Å; Y273-E316 WeakPolarHBondContact CE1-OE1 3.4Å; Y273-E316 PolarHBondContact OH-OE1 3.3Å
317	V	86.2	Confident	84.6	Confident	8 Å²	8	43.5 Å²	43.5	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.1	177.6	-175	0	0	0	0	110.2	I272 L309 I314 L346 V352	I272-V317 PolarHBondContact N-O 3.48Å; I272-V317 PolarHBondContact O-N 3.12Å; L309-V317 HydrophobicContact CD1-CB 4.19Å; L309-V317 HydrophobicContact CD1-CG2 4.06Å; L309-V317 HydrophobicContact CD2-CG2 3.77Å; I314-V317 HydrophobicContact CB-CG2 4.45Å; I314-V317 HydrophobicContact CG2-CG2 3.36Å; V317-L346 HydrophobicContact CG1-CB 3.97Å; V317-L346 HydrophobicContact CG1-CD1 3.75Å; V317-L346 HydrophobicContact CG1-CD2 3.38Å; V317-L346 HydrophobicContact CG1-CG 3.85Å; V317-V352 HydrophobicContact CG2-CG2 4.16Å
318	K	85.9	Confident	84.5	Confident	69 Å²	69	37.7 Å²	37.7	30%	0.3	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.1	169.6	-174.6	148.2	159.9	-108.8	0	110.5	D269 L271 E347	D269-K318 IonicContact OD2-NZ 3.16Å; L271-K318 HydrophobicContact CD2-CB 3.69Å; L271-K318 HydrophobicContact CD2-CD 4.2Å; L271-K318 HydrophobicContact CD2-CG 4.23Å; L271-K318 HydrophobicContact CG-CB 4.41Å; L271-K318 HydrophobicContact CG-CD 4.35Å; L271-K318 HydrophobicContact CG-CG 4.48Å; K318-E347 HydrophobicContact CB-CB 4.13Å; K318-E347 WeakPolarHBondContact CB-OE2 3.33Å; K318-E347 WeakPolarHBondContact CD-OE2 3.42Å; K318-E347 VanDerWaalsContact CE-OE2 3.31Å; K318-E347 WeakPolarHBondContact CE-OE2 3.46Å; K318-E347 HydrophobicContact CG-CB 4.31Å; K318-E347 WeakPolarHBondContact CG-OE2 3.09Å; K318-E347 IonicContact NZ-OE1 3.75Å; K318-E347 PolarHBondContact NZ-OE1 3.04Å; K318-E347 IonicContact NZ-OE2 3.81Å; K318-E347 PolarHBondContact NZ-OE2 3.48Å; K318-E347 PolarHBondContact O-N 3.41Å
319	I	85.9	Confident	84.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.8	177.7	-70.9	-171.6	0	0	0	109.6	D269 F270 I272 L302 V305 G321 L324 V345 L346	D269-I319 WeakPolarHBondContact CA-O 3.34Å; D269-I319 WeakPolarHBondContact CB-O 3.42Å; F270-I319 HydrophobicContact CE1-CG2 4.08Å; F270-I319 HydrophobicContact CE2-CB 4.32Å; F270-I319 HydrophobicContact CE2-CD1 4.07Å; F270-I319 HydrophobicContact CZ-CB 4.26Å; F270-I319 HydrophobicContact CZ-CD1 4.22Å; F270-I319 HydrophobicContact CZ-CG2 3.99Å; F270-I319 PolarHBondContact N-O 3.13Å; F270-I319 PolarHBondContact O-N 3.19Å; I272-I319 HydrophobicContact CD1-CD1 3.25Å; I272-I319 HydrophobicContact CD1-CG1 4.19Å; I272-I319 HydrophobicContact CG1-CD1 3.75Å; I272-I319 HydrophobicContact CG1-CG1 4.23Å; L302-I319 HydrophobicContact CD2-CD1 3.92Å; V305-I319 HydrophobicContact CG1-CD1 3.95Å; I319-G321 PolarHBondContact O-N 2.88Å; I319-L324 HydrophobicContact CG2-CB 4.23Å; I319-L324 HydrophobicContact CG2-CD2 4.29Å; I319-V345 HydrophobicContact CG1-CG1 4.49Å; I319-V345 HydrophobicContact CG2-CG1 3.75Å; I319-L346 HydrophobicContact CG1-CD2 4.2Å
320	K	85.6	Confident	84.1	Confident	73 Å²	73	45 Å²	45	32%	0.317	25%	0.246	S	C	.	.			trans	-83.2	111.1	170.9	-73.4	-173.4	171.4	175	0	110.2	D269 N322 N323 L324 V345 E347	D269-K320 VanDerWaalsContact OD1-CA 3.25Å; D269-K320 WeakPolarHBondContact OD1-CA 3.39Å; K320-N322 VanDerWaalsContact C-N 3.3Å; K320-N322 PolarHBondContact O-N 3.43Å; K320-N323 HydrophobicContact CB-CB 4.01Å; K320-N323 PolarHBondContact O-N 3.37Å; K320-N323 VanDerWaalsContact O-N 3.12Å; K320-L324 PolarHBondContact O-N 2.89Å; K320-V345 PolarHBondContact N-O 3.31Å; K320-E347 HydrophobicContact CG-CB 4.24Å
321	G	80.3	Confident	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-41.3	-173.9	0	0	0	0	0	112.7	D269 I319 N323 L324 V325	D269-G321 PolarHBondContact OD1-N 2.91Å; I319-G321 PolarHBondContact O-N 2.88Å; G321-N323 PolarHBondContact O-N 3.44Å; G321-L324 PolarHBondContact O-N 3.3Å; G321-V325 WeakPolarHBondContact O-CG2 3.3Å; G321-V325 PolarHBondContact O-N 3.28Å; G321-V325 VanDerWaalsContact O-N 3.13Å
322	N	81.4	Confident	83.8	Confident	74 Å²	74	46.4 Å²	46.4	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-36.3	178.4	-67.1	-24.9	0	0	0	112.7	D267 K320 A326	D267-N322 PolarHBondContact OD1-ND2 3.02Å; D267-N322 VanDerWaalsContact OD1-ND2 3.17Å; K320-N322 VanDerWaalsContact C-N 3.3Å; K320-N322 PolarHBondContact O-N 3.43Å; N322-A326 WeakPolarHBondContact O-CB 3.47Å; N322-A326 PolarHBondContact O-N 3.5Å
323	N	84.1	Confident	83.6	Confident	69 Å²	69	52.6 Å²	52.6	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-73.8	-36.4	177.8	-70.8	8.1	0	0	0	111.8	K320 G321 V325 A326 L327 S344	K320-N323 HydrophobicContact CB-CB 4.01Å; K320-N323 PolarHBondContact O-N 3.37Å; K320-N323 VanDerWaalsContact O-N 3.12Å; G321-N323 PolarHBondContact O-N 3.44Å; N323-V325 VanDerWaalsContact C-N 3.33Å; N323-A326 PolarHBondContact O-N 3.37Å; N323-L327 PolarHBondContact O-N 2.99Å; N323-S344 PolarHBondContact ND2-O 2.71Å; N323-S344 VanDerWaalsContact ND2-O 3.15Å
324	L	83.7	Confident	83.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-44.4	175	-175	74.4	0	0	0	110.8	F270 F287 I298 L301 L302 I319 K320 G321 L327 L328 V345	F270-L324 HydrophobicContact CE1-CD2 4.39Å; F270-L324 HydrophobicContact CZ-CD2 4.24Å; F287-L324 HydrophobicContact CE1-CD2 3.89Å; F287-L324 HydrophobicContact CZ-CD2 3.83Å; I298-L324 HydrophobicContact CG2-CD2 3.99Å; L301-L324 HydrophobicContact CD2-CD1 3.65Å; L301-L324 HydrophobicContact CD2-CG 4.14Å; L301-L324 WeakPolarHBondContact CD2-O 3.22Å; L301-L324 HydrophobicContact CG-CD1 3.88Å; L302-L324 HydrophobicContact CD1-CD2 4.17Å; L302-L324 HydrophobicContact CD2-CD1 4.06Å; L302-L324 HydrophobicContact CD2-CD2 3.69Å; L302-L324 HydrophobicContact CG-CD1 4.45Å; L302-L324 HydrophobicContact CG-CD2 3.92Å; I319-L324 HydrophobicContact CG2-CB 4.23Å; I319-L324 HydrophobicContact CG2-CD2 4.29Å; K320-L324 PolarHBondContact O-N 2.89Å; G321-L324 PolarHBondContact O-N 3.3Å; L324-L327 PolarHBondContact O-N 3.26Å; L324-L328 PolarHBondContact O-N 2.94Å; L324-V345 HydrophobicContact CB-CG1 3.92Å; L324-V345 HydrophobicContact CD1-CG1 3.59Å; L324-V345 HydrophobicContact CD1-CG2 4.46Å; L324-V345 HydrophobicContact CG-CG1 4.35Å
325	V	82.9	Confident	82.7	Confident	38 Å²	38	61.7 Å²	61.7	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-38.5	176.8	177.9	0	0	0	0	111.5	F287 F291 I298 G321 N323 L327 L328	F287-V325 HydrophobicContact CE2-CG2 4.01Å; F287-V325 HydrophobicContact CZ-CG2 3.91Å; F291-V325 HydrophobicContact CD1-CG1 4.38Å; F291-V325 HydrophobicContact CD1-CG2 3.96Å; F291-V325 HydrophobicContact CD2-CG2 4.26Å; F291-V325 HydrophobicContact CE1-CB 4.46Å; F291-V325 HydrophobicContact CE1-CG1 4.08Å; F291-V325 HydrophobicContact CE1-CG2 3.83Å; F291-V325 HydrophobicContact CE2-CG2 4.14Å; F291-V325 HydrophobicContact CG-CG2 4.17Å; F291-V325 HydrophobicContact CZ-CG2 3.91Å; I298-V325 HydrophobicContact CD1-CG2 4.1Å; G321-V325 WeakPolarHBondContact O-CG2 3.3Å; G321-V325 PolarHBondContact O-N 3.28Å; G321-V325 VanDerWaalsContact O-N 3.13Å; N323-V325 VanDerWaalsContact C-N 3.33Å; V325-L327 PolarHBondContact O-N 3.17Å; V325-L328 WeakPolarHBondContact O-CB 3.39Å; V325-L328 PolarHBondContact O-N 3.32Å; V325-L328 VanDerWaalsContact O-N 3.11Å
326	A	82.9	Confident	82.5	Confident	75 Å²	75	65.2 Å²	65.2	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-62.8	-29.3	175.9	0	0	0	0	0	113.3	N322 N323 L328 P329	N322-A326 WeakPolarHBondContact O-CB 3.47Å; N322-A326 PolarHBondContact O-N 3.5Å; N323-A326 PolarHBondContact O-N 3.37Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-P329 WeakPolarHBondContact O-CD 3.33Å
327	L	84.9	Confident	82.4	Confident	16 Å²	16	61.9 Å²	61.9	8%	0.084	32%	0.319	C	S	.	.	H	α-helix	trans	-79.9	-15.2	177.1	-161.8	75.1	0	0	0	113	L301 N323 L324 V325 E330 F331 L337 D341 V345	L301-L327 HydrophobicContact CD1-CD2 4.18Å; L301-L327 HydrophobicContact CD2-CB 4.35Å; L301-L327 HydrophobicContact CD2-CD2 4.44Å; N323-L327 PolarHBondContact O-N 2.99Å; L324-L327 PolarHBondContact O-N 3.26Å; V325-L327 PolarHBondContact O-N 3.17Å; L327-E330 PolarHBondContact O-N 3.15Å; L327-F331 PolarHBondContact O-N 3.44Å; L327-L337 HydrophobicContact CD2-CD2 3.98Å; L327-L337 HydrophobicContact CG-CD2 4.49Å; L327-D341 HydrophobicContact CD1-CB 4.23Å; L327-D341 HydrophobicContact CD2-CB 4.41Å; L327-V345 HydrophobicContact CB-CG2 4.39Å; L327-V345 HydrophobicContact CD2-CG2 3.57Å
328	L	84	Confident	82.3	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-46.4	-173.4	-172	69.5	0	0	0	113.9	A294 I298 L301 L324 V325 A326 E330 F331 E332	A294-L328 HydrophobicContact CB-CD2 4.09Å; I298-L328 HydrophobicContact CD1-CD2 4.47Å; I298-L328 HydrophobicContact CG1-CD1 4.12Å; I298-L328 HydrophobicContact CG1-CD2 3.81Å; L301-L328 HydrophobicContact CD2-CD1 4.46Å; L324-L328 PolarHBondContact O-N 2.94Å; V325-L328 WeakPolarHBondContact O-CB 3.39Å; V325-L328 PolarHBondContact O-N 3.32Å; V325-L328 VanDerWaalsContact O-N 3.11Å; A326-L328 VanDerWaalsContact C-N 3.33Å; L328-E330 VanDerWaalsContact C-N 3.29Å; L328-E330 PolarHBondContact O-N 2.94Å; L328-F331 PolarHBondContact O-N 3.2Å; L328-E332 HydrophobicContact CD1-CG 4.47Å; L328-E332 HydrophobicContact CG-CG 4.47Å; L328-E332 WeakPolarHBondContact O-CG 3.31Å; L328-E332 PolarHBondContact O-N 3.43Å
329	P	83.2	Confident	82	Confident	76 Å²	76	69 Å²	69	49%	0.494	35%	0.351	S	S	.	.	H	α-helix	trans	-61.8	-36.3	179.3	-21.9	34	0	0	0	112.8	A326 L333	A326-P329 WeakPolarHBondContact O-CD 3.33Å; P329-L333 WeakPolarHBondContact O-CB 3.24Å; P329-L333 WeakPolarHBondContact O-CD1 3.44Å; P329-L333 WeakPolarHBondContact O-CG 3.41Å; P329-L333 PolarHBondContact O-N 2.86Å
330	E	80.9	Confident	81.9	Confident	93 Å²	93	77.9 Å²	77.9	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-70.9	-36.9	177	-73.2	-151.8	-157.8	0	0	112.6	L327 L328 L333 K334	L327-E330 PolarHBondContact O-N 3.15Å; L328-E330 VanDerWaalsContact C-N 3.29Å; L328-E330 PolarHBondContact O-N 2.94Å; E330-L333 PolarHBondContact O-N 3.03Å; E330-K334 WeakPolarHBondContact O-CB 3.33Å; E330-K334 PolarHBondContact O-N 3.43Å; E330-K334 IonicContact OE2-NZ 3.92Å; E330-K334 PolarHBondContact OE2-NZ 3.42Å
331	F	83.9	Confident	81.8	Confident	6 Å²	6	75.8 Å²	75.8	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-46.7	175.7	176.1	-111.2	0	0	0	111.6	L301 H304 L327 L328 L333 K334 N335 L337	L301-F331 HydrophobicContact CB-CD1 3.81Å; L301-F331 HydrophobicContact CB-CE1 3.94Å; L301-F331 HydrophobicContact CB-CG 4.27Å; L301-F331 HydrophobicContact CB-CZ 4.5Å; L301-F331 HydrophobicContact CD1-CB 4.08Å; L301-F331 HydrophobicContact CD1-CD1 4.19Å; L301-F331 HydrophobicContact CD1-CD2 3.86Å; L301-F331 HydrophobicContact CD1-CE2 4.34Å; L301-F331 HydrophobicContact CD1-CG 3.77Å; L301-F331 HydrophobicContact CG-CD1 4.49Å; L301-F331 HydrophobicContact CG-CG 4.49Å; H304-F331 AromaticContact CE1-CE2 3.78Å; H304-F331 AromaticContact CE1-CZ 3.61Å; H304-F331 AromaticContact CG-CE2 3.97Å; H304-F331 AromaticContact ND1-CE2 3.7Å; H304-F331 AromaticContact ND1-CZ 3.5Å; L327-F331 PolarHBondContact O-N 3.44Å; L328-F331 PolarHBondContact O-N 3.2Å; F331-L333 VanDerWaalsContact C-N 3.26Å; F331-L333 PolarHBondContact O-N 2.87Å; F331-K334 PolarHBondContact O-N 3Å; F331-N335 WeakPolarHBondContact O-CA 3.45Å; F331-N335 PolarHBondContact O-N 3.34Å; F331-L337 HydrophobicContact CB-CD2 4.31Å; F331-L337 HydrophobicContact CD2-CD1 3.65Å; F331-L337 HydrophobicContact CD2-CD2 3.88Å; F331-L337 HydrophobicContact CD2-CG 3.7Å; F331-L337 HydrophobicContact CE2-CD1 3.87Å; F331-L337 HydrophobicContact CE2-CG 4.2Å
332	E	83.3	Confident	81.9	Confident	125 Å²	125	76.5 Å²	76.5	58%	0.584	38%	0.382	S	S	*	.	H	α-helix	trans	-61.6	-33.3	177.6	-71.4	-178.2	171.2	0	0	112.4	L328	L328-E332 HydrophobicContact CD1-CG 4.47Å; L328-E332 HydrophobicContact CG-CG 4.47Å; L328-E332 WeakPolarHBondContact O-CG 3.31Å; L328-E332 PolarHBondContact O-N 3.43Å
333	L	81.2	Confident	82.1	Confident	149 Å²	149	73.3 Å²	73.3	78%	0.78	37%	0.365	S	S	*	.	H	α-helix	trans	-75.6	-43	177.4	-79.3	163.5	0	0	0	114	P329 E330 F331	P329-L333 WeakPolarHBondContact O-CB 3.24Å; P329-L333 WeakPolarHBondContact O-CD1 3.44Å; P329-L333 WeakPolarHBondContact O-CG 3.41Å; P329-L333 PolarHBondContact O-N 2.86Å; E330-L333 PolarHBondContact O-N 3.03Å; F331-L333 VanDerWaalsContact C-N 3.26Å; F331-L333 PolarHBondContact O-N 2.87Å
334	K	77.9	Confident	82.1	Confident	127 Å²	127	72.3 Å²	72.3	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-102.6	-25.3	-168.1	-66.2	172.6	-174	160.6	0	113.9	E330 F331 K336	E330-K334 WeakPolarHBondContact O-CB 3.33Å; E330-K334 PolarHBondContact O-N 3.43Å; E330-K334 IonicContact OE2-NZ 3.92Å; E330-K334 PolarHBondContact OE2-NZ 3.42Å; F331-K334 PolarHBondContact O-N 3Å; K334-K336 PolarHBondContact O-N 3.4Å
335	N	74.9	Confident	82.2	Confident	107 Å²	107	72.3 Å²	72.3	57%	0.572	36%	0.364	S	S	*	.	S	Bend	trans	49.4	18.6	-175.8	-128.8	2.3	0	0	0	115.1	F331	F331-N335 WeakPolarHBondContact O-CA 3.45Å; F331-N335 PolarHBondContact O-N 3.34Å
336	K	75.5	Confident	82.3	Confident	146 Å²	146	70.8 Å²	70.8	64%	0.635	35%	0.354	S	S	*	.			trans	-143.8	115.5	178.3	-77.2	-174.5	-179.3	175.5	0	108.7	K334	K334-K336 PolarHBondContact O-N 3.4Å
337	L	81.2	Confident	82.3	Confident	35 Å²	35	71.2 Å²	71.2	18%	0.183	34%	0.343	C	S	.	.			trans	-96.4	134.5	179.4	-64	163.7	0	0	0	110.5	L301 H304 L327 F331 D341 L342	L301-L337 HydrophobicContact CD1-CD1 3.39Å; L301-L337 HydrophobicContact CD1-CD2 4.25Å; L301-L337 HydrophobicContact CD1-CG 4.42Å; H304-L337 HydrophobicContact CB-CD1 3.79Å; L327-L337 HydrophobicContact CD2-CD2 3.98Å; L327-L337 HydrophobicContact CG-CD2 4.49Å; F331-L337 HydrophobicContact CB-CD2 4.31Å; F331-L337 HydrophobicContact CD2-CD1 3.65Å; F331-L337 HydrophobicContact CD2-CD2 3.88Å; F331-L337 HydrophobicContact CD2-CG 3.7Å; F331-L337 HydrophobicContact CE2-CD1 3.87Å; F331-L337 HydrophobicContact CE2-CG 4.2Å; L337-D341 HydrophobicContact CB-CB 4.5Å; L337-D341 HydrophobicContact CD2-CB 4.12Å; L337-L342 HydrophobicContact CB-CD1 4.25Å; L337-L342 HydrophobicContact CB-CD2 4.15Å; L337-L342 HydrophobicContact CB-CG 3.92Å; L337-L342 HydrophobicContact CD1-CD2 3.64Å; L337-L342 HydrophobicContact CD1-CG 4.34Å; L337-L342 HydrophobicContact CG-CD2 4.49Å
338	T	84.1	Confident	82.2	Confident	76 Å²	76	74.6 Å²	74.6	47%	0.466	36%	0.362	S	S	.	.			trans	-78	164.8	169.2	73.2	0	0	0	0	110.5	Y340 D341 L342	T338-Y340 PolarHBondContact O-N 3.23Å; T338-Y340 PolarHBondContact OG1-N 2.96Å; T338-D341 WeakPolarHBondContact CA-OD2 3.16Å; T338-D341 VanDerWaalsContact CB-OD2 3.29Å; T338-D341 WeakPolarHBondContact CB-OD2 3.33Å; T338-D341 WeakPolarHBondContact CG2-OD2 3.43Å; T338-D341 PolarHBondContact N-OD2 3.2Å; T338-D341 PolarHBondContact O-N 3.1Å; T338-D341 PolarHBondContact OG1-N 3.27Å; T338-D341 PolarHBondContact OG1-OD1 2.93Å; T338-D341 PolarHBondContact OG1-OD2 3.49Å; T338-L342 PolarHBondContact O-N 3.24Å
339	R	80.8	Confident	82.2	Confident	151 Å²	151	76.6 Å²	76.6	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-59.5	-31.6	174	-67.3	-173.8	-176.3	153	3.2	112.3	F308 Y312 L343	F308-R339 HydrophobicContact CE2-CG 4.23Å; Y312-R339 PolarHBondContact OH-NE 3.46Å; Y312-R339 PolarHBondContact OH-NH2 2.99Å; R339-L343 WeakPolarHBondContact O-CD1 3.47Å; R339-L343 VanDerWaalsContact O-CG 3.22Å; R339-L343 WeakPolarHBondContact O-CG 3.31Å; R339-L343 PolarHBondContact O-N 3.39Å
340	Y	83.5	Confident	82.3	Confident	186 Å²	186	76.4 Å²	76.4	73%	0.729	38%	0.38	S	S	*	.	H	α-helix	trans	-69.1	-44.1	178.2	-177.4	-95.7	0	0	0	111.1	T338 L342 L343 S344	T338-Y340 PolarHBondContact O-N 3.23Å; T338-Y340 PolarHBondContact OG1-N 2.96Å; Y340-L342 VanDerWaalsContact C-N 3.34Å; Y340-L342 PolarHBondContact O-N 2.87Å; Y340-L343 PolarHBondContact O-N 3.4Å; Y340-S344 PolarHBondContact O-N 2.81Å
341	D	83.6	Confident	82.4	Confident	30 Å²	30	76.3 Å²	76.3	16%	0.16	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-43.9	179.3	-52	-31.3	0	0	0	111.2	L327 L337 T338 L343 S344	L327-D341 HydrophobicContact CD1-CB 4.23Å; L327-D341 HydrophobicContact CD2-CB 4.41Å; L337-D341 HydrophobicContact CB-CB 4.5Å; L337-D341 HydrophobicContact CD2-CB 4.12Å; T338-D341 WeakPolarHBondContact CA-OD2 3.16Å; T338-D341 VanDerWaalsContact CB-OD2 3.29Å; T338-D341 WeakPolarHBondContact CB-OD2 3.33Å; T338-D341 WeakPolarHBondContact CG2-OD2 3.43Å; T338-D341 PolarHBondContact N-OD2 3.2Å; T338-D341 PolarHBondContact O-N 3.1Å; T338-D341 PolarHBondContact OG1-N 3.27Å; T338-D341 PolarHBondContact OG1-OD1 2.93Å; T338-D341 PolarHBondContact OG1-OD2 3.49Å; D341-L343 VanDerWaalsContact C-N 3.33Å; D341-L343 PolarHBondContact O-N 3.33Å; D341-S344 PolarHBondContact O-N 3.02Å; D341-S344 PolarHBondContact O-OG 3.1Å
342	L	83.1	Confident	82.4	Confident	14 Å²	14	76.3 Å²	76.3	7%	0.073	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-32.5	177.8	-70	165.2	0	0	0	113.3	V305 F308 L337 T338 Y340	V305-L342 HydrophobicContact CG2-CD2 3.79Å; F308-L342 HydrophobicContact CB-CD1 3.86Å; F308-L342 HydrophobicContact CD1-CB 4.11Å; F308-L342 HydrophobicContact CD1-CD1 4.26Å; F308-L342 HydrophobicContact CD2-CD1 3.65Å; F308-L342 HydrophobicContact CE1-CB 4.18Å; F308-L342 HydrophobicContact CE2-CD1 4.19Å; F308-L342 HydrophobicContact CG-CB 4.37Å; F308-L342 HydrophobicContact CG-CD1 3.67Å; L337-L342 HydrophobicContact CB-CD1 4.25Å; L337-L342 HydrophobicContact CB-CD2 4.15Å; L337-L342 HydrophobicContact CB-CG 3.92Å; L337-L342 HydrophobicContact CD1-CD2 3.64Å; L337-L342 HydrophobicContact CD1-CG 4.34Å; L337-L342 HydrophobicContact CG-CD2 4.49Å; T338-L342 PolarHBondContact O-N 3.24Å; Y340-L342 VanDerWaalsContact C-N 3.34Å; Y340-L342 PolarHBondContact O-N 2.87Å
343	L	85.1	Confident	82.5	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-76	-30.9	176.4	-70.9	169.3	0	0	0	112	F308 R339 Y340 D341 V345 L346 P349 V352 Q353 I356	F308-L343 HydrophobicContact CE1-CD2 4.39Å; R339-L343 WeakPolarHBondContact O-CD1 3.47Å; R339-L343 VanDerWaalsContact O-CG 3.22Å; R339-L343 WeakPolarHBondContact O-CG 3.31Å; R339-L343 PolarHBondContact O-N 3.39Å; Y340-L343 PolarHBondContact O-N 3.4Å; D341-L343 VanDerWaalsContact C-N 3.33Å; D341-L343 PolarHBondContact O-N 3.33Å; L343-V345 PolarHBondContact O-N 3.36Å; L343-V345 VanDerWaalsContact O-N 3.16Å; L343-L346 HydrophobicContact CD2-CD1 3.94Å; L343-L346 WeakPolarHBondContact O-CB 3.32Å; L343-L346 PolarHBondContact O-N 3.16Å; L343-L346 VanDerWaalsContact O-N 3.09Å; L343-P349 HydrophobicContact CB-CB 4.19Å; L343-P349 WeakPolarHBondContact O-CB 3.32Å; L343-V352 HydrophobicContact CD2-CB 4.01Å; L343-V352 HydrophobicContact CD2-CG1 3.76Å; L343-Q353 HydrophobicContact CD1-CB 4.09Å; L343-Q353 HydrophobicContact CD1-CG 4.36Å; L343-I356 HydrophobicContact CD2-CD1 4.1Å
344	S	84.3	Confident	82.8	Confident	48 Å²	48	71.2 Å²	71.2	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-21	-177.8	76	0	0	0	0	114.6	N323 Y340 D341 L346	N323-S344 PolarHBondContact ND2-O 2.71Å; N323-S344 VanDerWaalsContact ND2-O 3.15Å; Y340-S344 PolarHBondContact O-N 2.81Å; D341-S344 PolarHBondContact O-N 3.02Å; D341-S344 PolarHBondContact O-OG 3.1Å; S344-L346 VanDerWaalsContact C-N 3.34Å
345	V	84.5	Confident	83.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.1	179.1	175.3	0	0	0	0	112.4	I319 K320 L324 L327 L343	I319-V345 HydrophobicContact CG1-CG1 4.49Å; I319-V345 HydrophobicContact CG2-CG1 3.75Å; K320-V345 PolarHBondContact N-O 3.31Å; L324-V345 HydrophobicContact CB-CG1 3.92Å; L324-V345 HydrophobicContact CD1-CG1 3.59Å; L324-V345 HydrophobicContact CD1-CG2 4.46Å; L324-V345 HydrophobicContact CG-CG1 4.35Å; L327-V345 HydrophobicContact CB-CG2 4.39Å; L327-V345 HydrophobicContact CD2-CG2 3.57Å; L343-V345 PolarHBondContact O-N 3.36Å; L343-V345 VanDerWaalsContact O-N 3.16Å
346	L	85.2	Confident	83.6	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-89	150	-173.4	-45.8	-176	0	0	0	111.1	V317 I319 L343 S344 V352	V317-L346 HydrophobicContact CG1-CB 3.97Å; V317-L346 HydrophobicContact CG1-CD1 3.75Å; V317-L346 HydrophobicContact CG1-CD2 3.38Å; V317-L346 HydrophobicContact CG1-CG 3.85Å; I319-L346 HydrophobicContact CG1-CD2 4.2Å; L343-L346 HydrophobicContact CD2-CD1 3.94Å; L343-L346 WeakPolarHBondContact O-CB 3.32Å; L343-L346 PolarHBondContact O-N 3.16Å; L343-L346 VanDerWaalsContact O-N 3.09Å; S344-L346 VanDerWaalsContact C-N 3.34Å; L346-V352 HydrophobicContact CD1-CB 4.06Å; L346-V352 HydrophobicContact CD1-CG1 3.94Å; L346-V352 HydrophobicContact CD1-CG2 3.97Å
347	E	82.9	Confident	84.1	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.393	31%	0.309	S	S	.	.	S	Bend	trans	-68.3	-39.8	176.1	179.4	170	-143.8	0	0	112.7	K318 K320 P349	K318-E347 HydrophobicContact CB-CB 4.13Å; K318-E347 WeakPolarHBondContact CB-OE2 3.33Å; K318-E347 WeakPolarHBondContact CD-OE2 3.42Å; K318-E347 VanDerWaalsContact CE-OE2 3.31Å; K318-E347 WeakPolarHBondContact CE-OE2 3.46Å; K318-E347 HydrophobicContact CG-CB 4.31Å; K318-E347 WeakPolarHBondContact CG-OE2 3.09Å; K318-E347 IonicContact NZ-OE1 3.75Å; K318-E347 PolarHBondContact NZ-OE1 3.04Å; K318-E347 IonicContact NZ-OE2 3.81Å; K318-E347 PolarHBondContact NZ-OE2 3.48Å; K318-E347 PolarHBondContact O-N 3.41Å; K320-E347 HydrophobicContact CG-CB 4.24Å; E347-P349 WeakPolarHBondContact O-CD 3.42Å
348	D	82.9	Confident	84.3	Confident	88 Å²	88	62.8 Å²	62.8	47%	0.471	32%	0.321	S	S	.	.			trans	-119.8	77.6	177.1	-169.3	-8.5	0	0	0	111.7	A350 H351 V352	D348-A350 VanDerWaalsContact C-N 3.26Å; D348-A350 PolarHBondContact O-N 3.33Å; D348-A350 PolarHBondContact OD1-N 2.82Å; D348-H351 HydrophobicContact CB-CB 4.33Å; D348-H351 VanDerWaalsContact CG-CB 3.42Å; D348-H351 WeakPolarHBondContact OD1-CB 3.41Å; D348-H351 PolarHBondContact OD1-N 3.48Å; D348-H351 VanDerWaalsContact OD2-CB 3.23Å; D348-H351 WeakPolarHBondContact OD2-CB 3.49Å; D348-V352 PolarHBondContact O-N 3.01Å
349	P	84.8	Confident	84	Confident	54 Å²	54	65.4 Å²	65.4	35%	0.351	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-28.9	-179.8	25.2	-33.4	0	0	0	112.8	L343 E347 Q353	L343-P349 HydrophobicContact CB-CB 4.19Å; L343-P349 WeakPolarHBondContact O-CB 3.32Å; E347-P349 WeakPolarHBondContact O-CD 3.42Å; P349-Q353 WeakPolarHBondContact O-CB 3.42Å; P349-Q353 PolarHBondContact O-N 2.81Å
350	A	84.1	Confident	84	Confident	72 Å²	72	59.6 Å²	59.6	60%	0.595	33%	0.326	S	S	*	.	H	α-helix	trans	-69.6	-43.1	-176.3	0	0	0	0	0	111.3	D348 Q353 M354	D348-A350 VanDerWaalsContact C-N 3.26Å; D348-A350 PolarHBondContact O-N 3.33Å; D348-A350 PolarHBondContact OD1-N 2.82Å; A350-Q353 PolarHBondContact O-N 3.32Å; A350-M354 PolarHBondContact O-N 2.9Å
351	H	83.9	Confident	84.1	Confident	92 Å²	92	51.5 Å²	51.5	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-45.9	176.4	-175.4	78	0	0	0	112.2	D348 Q353 M354 L355	D348-H351 HydrophobicContact CB-CB 4.33Å; D348-H351 VanDerWaalsContact CG-CB 3.42Å; D348-H351 WeakPolarHBondContact OD1-CB 3.41Å; D348-H351 PolarHBondContact OD1-N 3.48Å; D348-H351 VanDerWaalsContact OD2-CB 3.23Å; D348-H351 WeakPolarHBondContact OD2-CB 3.49Å; H351-Q353 PolarHBondContact O-N 2.93Å; H351-M354 WeakPolarHBondContact O-CB 3.42Å; H351-M354 PolarHBondContact O-N 3.32Å; H351-L355 PolarHBondContact O-N 2.92Å; H351-L355 VanDerWaalsContact O-N 3.11Å
352	V	83.4	Confident	84.1	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-38.4	179.8	179.7	0	0	0	0	111.6	I314 V317 L343 L346 D348 M354 L355 I356	I314-V352 HydrophobicContact CD1-CG1 3.45Å; I314-V352 VanDerWaalsContact CD1-CG1 3.45Å; I314-V352 HydrophobicContact CG1-CG1 4.32Å; I314-V352 HydrophobicContact CG2-CG1 4.33Å; I314-V352 HydrophobicContact CG2-CG2 4.46Å; V317-V352 HydrophobicContact CG2-CG2 4.16Å; L343-V352 HydrophobicContact CD2-CB 4.01Å; L343-V352 HydrophobicContact CD2-CG1 3.76Å; L346-V352 HydrophobicContact CD1-CB 4.06Å; L346-V352 HydrophobicContact CD1-CG1 3.94Å; L346-V352 HydrophobicContact CD1-CG2 3.97Å; D348-V352 PolarHBondContact O-N 3.01Å; V352-M354 VanDerWaalsContact C-N 3.33Å; V352-M354 PolarHBondContact O-N 3.16Å; V352-L355 PolarHBondContact O-N 3.34Å; V352-I356 HydrophobicContact CG1-CD1 3.92Å; V352-I356 WeakPolarHBondContact O-CD1 3.19Å; V352-I356 VanDerWaalsContact O-CG1 3.31Å; V352-I356 WeakPolarHBondContact O-CG1 3.43Å; V352-I356 PolarHBondContact O-N 2.82Å
353	Q	86.4	Confident	84.3	Confident	62 Å²	62	56.2 Å²	56.2	29%	0.29	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-37.6	174.4	-177.8	60.3	86.2	0	0	112.5	L343 P349 A350 H351 I356 N357	L343-Q353 HydrophobicContact CD1-CB 4.09Å; L343-Q353 HydrophobicContact CD1-CG 4.36Å; P349-Q353 WeakPolarHBondContact O-CB 3.42Å; P349-Q353 PolarHBondContact O-N 2.81Å; A350-Q353 PolarHBondContact O-N 3.32Å; H351-Q353 PolarHBondContact O-N 2.93Å; Q353-I356 PolarHBondContact O-N 3.05Å; Q353-N357 PolarHBondContact NE2-ND2 3.02Å; Q353-N357 VanDerWaalsContact NE2-ND2 3.15Å; Q353-N357 PolarHBondContact NE2-OD1 3.27Å; Q353-N357 VanDerWaalsContact NE2-OD1 3.09Å; Q353-N357 WeakPolarHBondContact O-CB 3.41Å; Q353-N357 VanDerWaalsContact O-CG 3.22Å; Q353-N357 PolarHBondContact O-N 3.25Å; Q353-N357 VanDerWaalsContact O-N 3.12Å; Q353-N357 PolarHBondContact O-ND2 3.4Å
354	M	86.5	Confident	84.2	Confident	106 Å²	106	62.6 Å²	62.6	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-46.6	173	-178.2	-171.6	68.7	0	0	110.9	A350 H351 V352 I356 N357 L358	A350-M354 PolarHBondContact O-N 2.9Å; H351-M354 WeakPolarHBondContact O-CB 3.42Å; H351-M354 PolarHBondContact O-N 3.32Å; V352-M354 VanDerWaalsContact C-N 3.33Å; V352-M354 PolarHBondContact O-N 3.16Å; M354-I356 PolarHBondContact O-N 3.08Å; M354-N357 PolarHBondContact O-N 3.26Å; M354-L358 PolarHBondContact O-N 3.36Å
355	L	83.9	Confident	84.2	Confident	31 Å²	31	60.9 Å²	60.9	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-46.3	177.8	-70	173.6	0	0	0	111.5	H351 V352 N357 L358 Q361	H351-L355 PolarHBondContact O-N 2.92Å; H351-L355 VanDerWaalsContact O-N 3.11Å; V352-L355 PolarHBondContact O-N 3.34Å; L355-N357 VanDerWaalsContact C-N 3.26Å; L355-N357 PolarHBondContact O-N 3.4Å; L355-L358 HydrophobicContact CD2-CD1 4.07Å; L355-L358 WeakPolarHBondContact O-CB 3.38Å; L355-L358 PolarHBondContact O-N 3.22Å; L355-L358 VanDerWaalsContact O-N 3.15Å; L355-Q361 WeakPolarHBondContact O-CB 3.31Å; L355-Q361 VanDerWaalsContact O-CG 3.23Å; L355-Q361 WeakPolarHBondContact O-CG 3.35Å
356	I	85.8	Confident	84	Confident	13 Å²	13	67.4 Å²	67.4	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-36.3	178.3	-71.7	163.1	0	0	0	112.5	F308 Y312 I314 L343 V352 Q353 M354 L358	F308-I356 HydrophobicContact CE1-CD1 3.88Å; F308-I356 HydrophobicContact CE2-CD1 4.42Å; F308-I356 HydrophobicContact CZ-CD1 3.45Å; F308-I356 VanDerWaalsContact CZ-CD1 3.45Å; Y312-I356 HydrophobicContact CD1-CB 4.22Å; Y312-I356 HydrophobicContact CD1-CG1 3.95Å; Y312-I356 HydrophobicContact CD1-CG2 3.92Å; Y312-I356 HydrophobicContact CD2-CG1 4.49Å; Y312-I356 HydrophobicContact CE1-CB 4.42Å; Y312-I356 HydrophobicContact CE1-CG1 4.46Å; Y312-I356 HydrophobicContact CE1-CG2 3.62Å; Y312-I356 HydrophobicContact CG-CG1 3.97Å; I314-I356 HydrophobicContact CD1-CD1 4.22Å; I314-I356 HydrophobicContact CD1-CG1 4.14Å; L343-I356 HydrophobicContact CD2-CD1 4.1Å; V352-I356 HydrophobicContact CG1-CD1 3.92Å; V352-I356 WeakPolarHBondContact O-CD1 3.19Å; V352-I356 VanDerWaalsContact O-CG1 3.31Å; V352-I356 WeakPolarHBondContact O-CG1 3.43Å; V352-I356 PolarHBondContact O-N 2.82Å; Q353-I356 PolarHBondContact O-N 3.05Å; M354-I356 PolarHBondContact O-N 3.08Å; I356-L358 VanDerWaalsContact C-N 3.28Å; I356-L358 PolarHBondContact O-N 3.12Å
357	N	85.8	Confident	83.8	Confident	110 Å²	110	71 Å²	71	59%	0.588	38%	0.377	S	S	*	.	H	α-helix	trans	-79.3	-8.6	-177.8	-71.7	-21.8	0	0	0	113.4	Q353 M354 L355	Q353-N357 PolarHBondContact NE2-ND2 3.02Å; Q353-N357 VanDerWaalsContact NE2-ND2 3.15Å; Q353-N357 PolarHBondContact NE2-OD1 3.27Å; Q353-N357 VanDerWaalsContact NE2-OD1 3.09Å; Q353-N357 WeakPolarHBondContact O-CB 3.41Å; Q353-N357 VanDerWaalsContact O-CG 3.22Å; Q353-N357 PolarHBondContact O-N 3.25Å; Q353-N357 VanDerWaalsContact O-N 3.12Å; Q353-N357 PolarHBondContact O-ND2 3.4Å; M354-N357 PolarHBondContact O-N 3.26Å; L355-N357 VanDerWaalsContact C-N 3.26Å; L355-N357 PolarHBondContact O-N 3.4Å
358	L	85.1	Confident	83.9	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.435	36%	0.36	S	S	.	.	S	Bend	trans	-64.1	129.3	175.8	-74.4	166.4	0	0	0	110.5	M354 L355 I356 G360 Q361	M354-L358 PolarHBondContact O-N 3.36Å; L355-L358 HydrophobicContact CD2-CD1 4.07Å; L355-L358 WeakPolarHBondContact O-CB 3.38Å; L355-L358 PolarHBondContact O-N 3.22Å; L355-L358 VanDerWaalsContact O-N 3.15Å; I356-L358 VanDerWaalsContact C-N 3.28Å; I356-L358 PolarHBondContact O-N 3.12Å; L358-G360 PolarHBondContact O-N 2.92Å; L358-G360 VanDerWaalsContact O-N 3.15Å; L358-Q361 HydrophobicContact CB-CB 4.17Å; L358-Q361 WeakPolarHBondContact O-CB 3.38Å; L358-Q361 PolarHBondContact O-N 3.42Å
359	P	78.6	Confident	84	Confident	131 Å²	131	69.8 Å²	69.8	85%	0.851	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	123.3	177.2	-24.1	32.7	0	0	0	111.1
360	G	81.4	Confident	84.1	Confident	30 Å²	30	70.7 Å²	70.7	31%	0.309	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-3.7	179	0	0	0	0	0	115.7	L358 R362 Y363	L358-G360 PolarHBondContact O-N 2.92Å; L358-G360 VanDerWaalsContact O-N 3.15Å; G360-R362 VanDerWaalsContact C-N 3.31Å; G360-R362 PolarHBondContact O-N 2.95Å; G360-Y363 PolarHBondContact O-N 3.21Å
361	Q	84.9	Confident	84.2	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.075	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-60.5	-40.2	177.4	-169.5	69.3	11.5	0	0	112.2	Y312 A313 L355 L358 Y363 K364	Y312-Q361 WeakPolarHBondContact O-CG 3.42Å; Y312-Q361 PolarHBondContact O-NE2 3.36Å; A313-Q361 PolarHBondContact O-NE2 3.28Å; L355-Q361 WeakPolarHBondContact O-CB 3.31Å; L355-Q361 VanDerWaalsContact O-CG 3.23Å; L355-Q361 WeakPolarHBondContact O-CG 3.35Å; L358-Q361 HydrophobicContact CB-CB 4.17Å; L358-Q361 WeakPolarHBondContact O-CB 3.38Å; L358-Q361 PolarHBondContact O-N 3.42Å; Q361-Y363 PolarHBondContact O-N 3.24Å; Q361-Y363 VanDerWaalsContact O-N 3.13Å; Q361-K364 PolarHBondContact O-N 3.39Å
362	R	84.4	Confident	84.3	Confident	49 Å²	49	66.9 Å²	66.9	19%	0.185	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-56.2	-29.2	174.1	176.7	59.2	-173	124	-7.1	113.1	N311 Y312 G360 E371	N311-R362 PolarHBondContact O-NH1 3.2Å; N311-R362 PolarHBondContact OD1-NH1 3.28Å; N311-R362 PolarHBondContact OD1-NH2 3.22Å; Y312-R362 HydrophobicContact CD1-CB 4.28Å; Y312-R362 HydrophobicContact CE1-CB 3.93Å; Y312-R362 HydrophobicContact CE1-CG 4.4Å; G360-R362 VanDerWaalsContact C-N 3.31Å; G360-R362 PolarHBondContact O-N 2.95Å; R362-E371 IonicContact CZ-OE1 2.63Å; R362-E371 VanDerWaalsContact NH2-CD 3.29Å; R362-E371 VanDerWaalsContact NH2-CG 3.29Å; R362-E371 IonicContact NH2-OE1 2.75Å; R362-E371 PolarHBondContact NH2-OE1 3.13Å
363	Y	86.6	Confident	84.6	Confident	93 Å²	93	68.7 Å²	68.7	37%	0.365	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-89.1	-1.2	-177.7	-46.2	-52.7	0	0	0	113.5	G360 Q361 G368 E371 A372	G360-Y363 PolarHBondContact O-N 3.21Å; Q361-Y363 PolarHBondContact O-N 3.24Å; Q361-Y363 VanDerWaalsContact O-N 3.13Å; Y363-G368 VanDerWaalsContact O-CA 3.31Å; Y363-G368 WeakPolarHBondContact O-CA 3.28Å; Y363-E371 HydrophobicContact CD1-CB 4.01Å; Y363-E371 HydrophobicContact CE1-CB 4.18Å; Y363-A372 HydrophobicContact CD1-CB 3.76Å; Y363-A372 HydrophobicContact CE1-CB 4.24Å; Y363-A372 HydrophobicContact CG-CB 3.97Å
364	K	83.7	Confident	84.7	Confident	143 Å²	143	70.5 Å²	70.5	62%	0.622	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-92	-13.8	172.7	-63.4	-179.8	-173.6	166.8	0	113.1	A313 Q361	A313-K364 HydrophobicContact CB-CB 4.09Å; Q361-K364 PolarHBondContact O-N 3.39Å
365	G	82.7	Confident	84.9	Confident	11 Å²	11	71.1 Å²	71.1	11%	0.113	38%	0.381	C	S	.	.	S	Bend	trans	-74.5	179.3	178.9	0	0	0	0	0	113.8	R310 D367 G368	R310-G365 WeakPolarHBondContact O-CA 3.33Å; G365-D367 VanDerWaalsContact C-N 3.26Å; G365-D367 PolarHBondContact O-N 3.44Å; G365-D367 VanDerWaalsContact O-N 3.11Å; G365-G368 PolarHBondContact O-N 3Å
366	Q	80.1	Confident	85.1	Confident	137 Å²	137	75.3 Å²	75.3	64%	0.64	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.1	-172.6	-166.8	172.9	-1.8	0	0	114.6	R310	R310-Q366 HydrophobicContact CB-CB 4.45Å; R310-Q366 VanDerWaalsContact CD-OE1 3.3Å; R310-Q366 PolarHBondContact O-N 3.49Å; R310-Q366 VanDerWaalsContact O-N 3.09Å
367	D	82.3	Confident	85.5	Confident	81 Å²	81	80 Å²	80	43%	0.433	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	18.8	177.7	-66.3	-44.9	0	0	0	114	G365 N369 S370 E371	G365-D367 VanDerWaalsContact C-N 3.26Å; G365-D367 PolarHBondContact O-N 3.44Å; G365-D367 VanDerWaalsContact O-N 3.11Å; D367-N369 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 2.92Å; D367-S370 PolarHBondContact O-N 2.9Å; D367-S370 VanDerWaalsContact O-N 3.13Å; D367-E371 PolarHBondContact O-N 3.49Å; D367-E371 VanDerWaalsContact O-N 3.1Å
368	G	83.7	Confident	85.9	Confident	2 Å²	2	77.3 Å²	77.3	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-59.9	-35.6	-167.2	0	0	0	0	0	115.1	Y363 G365 A372	Y363-G368 VanDerWaalsContact O-CA 3.31Å; Y363-G368 WeakPolarHBondContact O-CA 3.28Å; G365-G368 PolarHBondContact O-N 3Å; G368-A372 VanDerWaalsContact O-CB 3.29Å; G368-A372 WeakPolarHBondContact O-CB 3.31Å; G368-A372 PolarHBondContact O-N 3.37Å
369	N	86	Confident	86.2	Confident	145 Å²	145	77.2 Å²	77.2	78%	0.775	42%	0.42	S	S	*	.	H	α-helix	trans	-65.7	-43.2	176.8	-73.3	-19.2	0	0	0	112.4	D367 A372 A373	D367-N369 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 2.92Å; N369-A372 PolarHBondContact O-N 3.28Å; N369-A373 WeakPolarHBondContact O-CB 3.25Å; N369-A373 PolarHBondContact O-N 3.23Å
370	S	87.1	Confident	86.9	Confident	73 Å²	73	79.1 Å²	79.1	51%	0.51	41%	0.41	S	S	.	.	H	α-helix	trans	-66.5	-42.3	178.7	-60.9	0	0	0	0	111	D367 A373 M374	D367-S370 PolarHBondContact O-N 2.9Å; D367-S370 VanDerWaalsContact O-N 3.13Å; S370-A373 PolarHBondContact O-N 3.4Å; S370-M374 WeakPolarHBondContact O-CB 3.35Å; S370-M374 WeakPolarHBondContact O-CG 3.39Å; S370-M374 PolarHBondContact O-N 3.49Å
371	E	85.5	Confident	87.5	Confident	60 Å²	60	84.6 Å²	84.6	28%	0.28	43%	0.425	S	S	.	.	H	α-helix	trans	-66.1	-40.8	176.9	-70.9	-74.9	-179.7	0	0	112.8	R362 Y363 D367 M374 K375	R362-E371 IonicContact CZ-OE1 2.63Å; R362-E371 VanDerWaalsContact NH2-CD 3.29Å; R362-E371 VanDerWaalsContact NH2-CG 3.29Å; R362-E371 IonicContact NH2-OE1 2.75Å; R362-E371 PolarHBondContact NH2-OE1 3.13Å; Y363-E371 HydrophobicContact CD1-CB 4.01Å; Y363-E371 HydrophobicContact CE1-CB 4.18Å; D367-E371 PolarHBondContact O-N 3.49Å; D367-E371 VanDerWaalsContact O-N 3.1Å; E371-M374 HydrophobicContact CG-CE 4.09Å; E371-M374 PolarHBondContact O-N 3.04Å; E371-M374 WeakPolarHBondContact OE2-CE 3.35Å; E371-K375 WeakPolarHBondContact O-CB 3.43Å; E371-K375 PolarHBondContact O-N 3.49Å
372	A	86.8	Confident	87.8	Confident	23 Å²	23	87.8 Å²	87.8	19%	0.19	45%	0.449	C	S	.	.	H	α-helix	trans	-62.2	-46.3	173.4	0	0	0	0	0	110.6	Y363 G368 N369 K375 I376	Y363-A372 HydrophobicContact CD1-CB 3.76Å; Y363-A372 HydrophobicContact CE1-CB 4.24Å; Y363-A372 HydrophobicContact CG-CB 3.97Å; G368-A372 VanDerWaalsContact O-CB 3.29Å; G368-A372 WeakPolarHBondContact O-CB 3.31Å; G368-A372 PolarHBondContact O-N 3.37Å; N369-A372 PolarHBondContact O-N 3.28Å; A372-K375 PolarHBondContact O-N 3.39Å; A372-I376 WeakPolarHBondContact O-CB 3.49Å; A372-I376 WeakPolarHBondContact O-CD1 3.41Å; A372-I376 WeakPolarHBondContact O-CG1 3.33Å; A372-I376 PolarHBondContact O-N 2.92Å
373	A	89.4	Confident	88.2	Confident	44 Å²	44	91.9 Å²	91.9	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-47.2	176.6	0	0	0	0	0	111.8	N369 S370 K375 I376 Q377	N369-A373 WeakPolarHBondContact O-CB 3.25Å; N369-A373 PolarHBondContact O-N 3.23Å; S370-A373 PolarHBondContact O-N 3.4Å; A373-K375 VanDerWaalsContact C-N 3.35Å; A373-K375 PolarHBondContact O-N 3.06Å; A373-I376 PolarHBondContact O-N 3.4Å; A373-Q377 WeakPolarHBondContact O-CB 3.26Å; A373-Q377 VanDerWaalsContact O-CG 3.23Å; A373-Q377 WeakPolarHBondContact O-CG 3.47Å; A373-Q377 PolarHBondContact O-N 2.99Å
374	M	89	Confident	88.6	Confident	100 Å²	100	93.1 Å²	93.1	49%	0.493	47%	0.472	S	S	.	.	H	α-helix	trans	-59.4	-44.1	176	-75	-170.3	-64.7	0	0	111.8	S370 E371 Q377 A378	S370-M374 WeakPolarHBondContact O-CB 3.35Å; S370-M374 WeakPolarHBondContact O-CG 3.39Å; S370-M374 PolarHBondContact O-N 3.49Å; E371-M374 HydrophobicContact CG-CE 4.09Å; E371-M374 PolarHBondContact O-N 3.04Å; E371-M374 WeakPolarHBondContact OE2-CE 3.35Å; M374-Q377 PolarHBondContact O-N 3.37Å; M374-A378 VanDerWaalsContact O-CB 3.25Å; M374-A378 WeakPolarHBondContact O-CB 3.37Å; M374-A378 PolarHBondContact O-N 2.93Å
375	K	89.6	Confident	89.1	Confident	119 Å²	119	89.1 Å²	89.1	52%	0.517	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-43.8	178.9	-175.1	64.7	175.3	-175.6	0	112.2	E371 A372 A373 A378 T379	E371-K375 WeakPolarHBondContact O-CB 3.43Å; E371-K375 PolarHBondContact O-N 3.49Å; A372-K375 PolarHBondContact O-N 3.39Å; A373-K375 VanDerWaalsContact C-N 3.35Å; A373-K375 PolarHBondContact O-N 3.06Å; K375-A378 PolarHBondContact O-N 2.98Å; K375-T379 WeakPolarHBondContact O-CB 3.23Å; K375-T379 PolarHBondContact O-N 3.26Å; K375-T379 PolarHBondContact O-OG1 3.39Å
376	I	89.7	Confident	89.5	Confident	119 Å²	119	96.9 Å²	96.9	61%	0.61	49%	0.491	S	S	*	.	H	α-helix	trans	-62.1	-48.8	177.5	-69.5	165.7	0	0	0	109.7	A372 A373 A378 T379 W380	A372-I376 WeakPolarHBondContact O-CB 3.49Å; A372-I376 WeakPolarHBondContact O-CD1 3.41Å; A372-I376 WeakPolarHBondContact O-CG1 3.33Å; A372-I376 PolarHBondContact O-N 2.92Å; A373-I376 PolarHBondContact O-N 3.4Å; I376-A378 PolarHBondContact O-N 2.84Å; I376-T379 PolarHBondContact O-N 3.46Å; I376-W380 WeakPolarHBondContact O-CB 3.27Å; I376-W380 PolarHBondContact O-N 3.38Å
377	Q	94.1	Very high	90.2	Very high	112 Å²	112	96.3 Å²	96.3	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-45.2	178.2	-73.6	177	-9.2	0	0	112.1	A373 M374 T379 W380 K381	A373-Q377 WeakPolarHBondContact O-CB 3.26Å; A373-Q377 VanDerWaalsContact O-CG 3.23Å; A373-Q377 WeakPolarHBondContact O-CG 3.47Å; A373-Q377 PolarHBondContact O-N 2.99Å; M374-Q377 PolarHBondContact O-N 3.37Å; Q377-T379 VanDerWaalsContact C-N 3.34Å; Q377-T379 PolarHBondContact O-N 3.27Å; Q377-W380 PolarHBondContact O-N 2.95Å; Q377-K381 WeakPolarHBondContact O-CB 3.34Å; Q377-K381 VanDerWaalsContact O-CG 3.28Å; Q377-K381 WeakPolarHBondContact O-CG 3.27Å; Q377-K381 PolarHBondContact O-N 3.49Å
378	A	93.2	Very high	90.7	Very high	53 Å²	53	98.4 Å²	98.4	44%	0.438	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-42.3	177.4	0	0	0	0	0	111.8	M374 K375 I376 K381 C382	M374-A378 VanDerWaalsContact O-CB 3.25Å; M374-A378 WeakPolarHBondContact O-CB 3.37Å; M374-A378 PolarHBondContact O-N 2.93Å; K375-A378 PolarHBondContact O-N 2.98Å; I376-A378 PolarHBondContact O-N 2.84Å; A378-K381 PolarHBondContact O-N 2.89Å; A378-C382 WeakPolarHBondContact O-CB 3.28Å; A378-C382 PolarHBondContact O-N 3.48Å
379	T	92.1	Very high	91.1	Very high	81 Å²	81	104.1 Å²	104.1	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177.9	-54.1	0	0	0	0	111	K375 I376 Q377 C382 Y383	K375-T379 WeakPolarHBondContact O-CB 3.23Å; K375-T379 PolarHBondContact O-N 3.26Å; K375-T379 PolarHBondContact O-OG1 3.39Å; I376-T379 PolarHBondContact O-N 3.46Å; Q377-T379 VanDerWaalsContact C-N 3.34Å; Q377-T379 PolarHBondContact O-N 3.27Å; T379-C382 PolarHBondContact O-N 3.39Å; T379-Y383 PolarHBondContact O-N 3.5Å
380	W	92.1	Very high	91.4	Very high	171 Å²	171	101.1 Å²	101.1	65%	0.648	50%	0.5	S	S	*	.	H	α-helix	trans	-65.7	-43.6	176.8	-175.4	-112.3	0	0	0	112.7	I376 Q377 C382 Y383 K384	I376-W380 WeakPolarHBondContact O-CB 3.27Å; I376-W380 PolarHBondContact O-N 3.38Å; Q377-W380 PolarHBondContact O-N 2.95Å; W380-C382 VanDerWaalsContact C-N 3.32Å; W380-C382 PolarHBondContact O-N 3.37Å; W380-Y383 HydrophobicContact CE3-CD1 4.14Å; W380-Y383 HydrophobicContact CH2-CD1 4.36Å; W380-Y383 HydrophobicContact CH2-CE1 4.41Å; W380-Y383 AromaticContact CZ3-CD1 3.88Å; W380-Y383 HydrophobicContact CZ3-CD1 3.88Å; W380-Y383 HydrophobicContact CZ3-CE1 4.18Å; W380-Y383 PolarHBondContact O-N 3.31Å; W380-K384 WeakPolarHBondContact O-CB 3.34Å; W380-K384 PolarHBondContact O-N 3.15Å
381	K	94.1	Very high	91.7	Very high	144 Å²	144	100.9 Å²	100.9	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-58.3	-44.5	174.3	-75.2	175.4	-179.1	179.7	0	111.1	Q377 A378 K384 A385	Q377-K381 WeakPolarHBondContact O-CB 3.34Å; Q377-K381 VanDerWaalsContact O-CG 3.28Å; Q377-K381 WeakPolarHBondContact O-CG 3.27Å; Q377-K381 PolarHBondContact O-N 3.49Å; A378-K381 PolarHBondContact O-N 2.89Å; K381-K384 PolarHBondContact O-N 3.38Å; K381-A385 WeakPolarHBondContact O-CB 3.49Å; K381-A385 PolarHBondContact O-N 2.99Å
382	C	92.4	Very high	92	Very high	84 Å²	84	103.9 Å²	103.9	57%	0.568	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-44.7	176.5	-175.4	0	0	0	0	112.2	A378 T379 W380 K384 A385 R386	A378-C382 WeakPolarHBondContact O-CB 3.28Å; A378-C382 PolarHBondContact O-N 3.48Å; T379-C382 PolarHBondContact O-N 3.39Å; W380-C382 VanDerWaalsContact C-N 3.32Å; W380-C382 PolarHBondContact O-N 3.37Å; C382-K384 PolarHBondContact O-N 2.84Å; C382-A385 PolarHBondContact O-N 3.31Å; C382-R386 VanDerWaalsContact O-CB 3.3Å; C382-R386 WeakPolarHBondContact O-CB 3.46Å; C382-R386 PolarHBondContact O-N 2.96Å
383	Y	92.8	Very high	92.3	Very high	134 Å²	134	110.8 Å²	110.8	53%	0.525	52%	0.523	S	S	.	.	H	α-helix	trans	-58.6	-47.3	175.5	174.4	-98.1	0	0	0	111.9	T379 W380 R386 K387	T379-Y383 PolarHBondContact O-N 3.5Å; W380-Y383 HydrophobicContact CE3-CD1 4.14Å; W380-Y383 HydrophobicContact CH2-CD1 4.36Å; W380-Y383 HydrophobicContact CH2-CE1 4.41Å; W380-Y383 AromaticContact CZ3-CD1 3.88Å; W380-Y383 HydrophobicContact CZ3-CD1 3.88Å; W380-Y383 HydrophobicContact CZ3-CE1 4.18Å; W380-Y383 PolarHBondContact O-N 3.31Å; Y383-R386 PolarHBondContact O-N 3.3Å; Y383-K387 PolarHBondContact O-N 3.41Å
384	K	93.9	Very high	92.4	Very high	119 Å²	119	115.2 Å²	115.2	52%	0.517	54%	0.537	S	S	.	.	H	α-helix	trans	-60.6	-49	177.7	-174.9	174.6	178.1	-179.4	0	111.2	W380 K381 C382 R386 K387 F388	W380-K384 WeakPolarHBondContact O-CB 3.34Å; W380-K384 PolarHBondContact O-N 3.15Å; K381-K384 PolarHBondContact O-N 3.38Å; C382-K384 PolarHBondContact O-N 2.84Å; K384-R386 PolarHBondContact O-N 3.42Å; K384-K387 PolarHBondContact O-N 2.88Å; K384-F388 HydrophobicContact CD-CE2 4.22Å; K384-F388 HydrophobicContact CG-CD2 3.95Å; K384-F388 HydrophobicContact CG-CE2 3.58Å; K384-F388 WeakPolarHBondContact O-CD2 3.42Å; K384-F388 PolarHBondContact O-N 3.36Å; K384-F388 VanDerWaalsContact O-N 3.1Å
385	A	93.6	Very high	92.5	Very high	59 Å²	59	115.6 Å²	115.6	49%	0.488	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-42.6	177.7	0	0	0	0	0	112.3	K381 C382 K387 F388 F389	K381-A385 WeakPolarHBondContact O-CB 3.49Å; K381-A385 PolarHBondContact O-N 2.99Å; C382-A385 PolarHBondContact O-N 3.31Å; A385-K387 PolarHBondContact O-N 3.04Å; A385-F388 PolarHBondContact O-N 2.92Å; A385-F389 WeakPolarHBondContact O-CB 3.03Å; A385-F389 PolarHBondContact O-N 3.49Å
386	R	92.7	Very high	92.6	Very high	174 Å²	174	116 Å²	116	66%	0.657	54%	0.539	S	S	*	.	H	α-helix	trans	-61.8	-43.1	176.4	-176.2	177	178.6	121.7	-2.4	111.7	C382 Y383 K384 F389 L390	C382-R386 VanDerWaalsContact O-CB 3.3Å; C382-R386 WeakPolarHBondContact O-CB 3.46Å; C382-R386 PolarHBondContact O-N 2.96Å; Y383-R386 PolarHBondContact O-N 3.3Å; K384-R386 PolarHBondContact O-N 3.42Å; R386-F389 PolarHBondContact O-N 3.46Å; R386-L390 HydrophobicContact CG-CD1 4.33Å; R386-L390 WeakPolarHBondContact O-CG 3.46Å; R386-L390 PolarHBondContact O-N 3.15Å
387	K	93.2	Very high	92.6	Very high	125 Å²	125	119.7 Å²	119.7	54%	0.543	55%	0.545	S	S	.	.	H	α-helix	trans	-59.8	-46.7	176.7	-171.4	179.6	178.2	-178.6	0	111.1	Y383 K384 A385 L390 I391	Y383-K387 PolarHBondContact O-N 3.41Å; K384-K387 PolarHBondContact O-N 2.88Å; A385-K387 PolarHBondContact O-N 3.04Å; K387-L390 PolarHBondContact O-N 2.9Å; K387-I391 HydrophobicContact CG-CD1 4.45Å; K387-I391 WeakPolarHBondContact O-CG1 3.49Å; K387-I391 PolarHBondContact O-N 2.96Å
388	F	92.9	Very high	92.4	Very high	126 Å²	126	116.2 Å²	116.2	55%	0.553	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-42.6	176	-76.2	-63.4	0	0	0	113	K384 A385 L390 I391 Y392	K384-F388 HydrophobicContact CD-CE2 4.22Å; K384-F388 HydrophobicContact CG-CD2 3.95Å; K384-F388 HydrophobicContact CG-CE2 3.58Å; K384-F388 WeakPolarHBondContact O-CD2 3.42Å; K384-F388 PolarHBondContact O-N 3.36Å; K384-F388 VanDerWaalsContact O-N 3.1Å; A385-F388 PolarHBondContact O-N 2.92Å; F388-L390 VanDerWaalsContact C-N 3.32Å; F388-L390 PolarHBondContact O-N 2.93Å; F388-I391 PolarHBondContact O-N 2.97Å; F388-Y392 WeakPolarHBondContact O-CB 3.4Å; F388-Y392 PolarHBondContact O-N 3.38Å
389	F	92.5	Very high	92.4	Very high	122 Å²	122	116.9 Å²	116.9	54%	0.535	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-39.9	178.2	177.3	-102.8	0	0	0	112.4	A385 R386 Y392 R393	A385-F389 WeakPolarHBondContact O-CB 3.03Å; A385-F389 PolarHBondContact O-N 3.49Å; R386-F389 PolarHBondContact O-N 3.46Å; F389-Y392 PolarHBondContact O-N 3.47Å; F389-R393 WeakPolarHBondContact O-CB 3.33Å; F389-R393 PolarHBondContact O-N 3.01Å
390	L	92.1	Very high	92.3	Very high	81 Å²	81	114.4 Å²	114.4	42%	0.424	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-42.3	176.3	-70.9	173	0	0	0	111.7	R386 K387 F388 R393 Q394	R386-L390 HydrophobicContact CG-CD1 4.33Å; R386-L390 WeakPolarHBondContact O-CG 3.46Å; R386-L390 PolarHBondContact O-N 3.15Å; K387-L390 PolarHBondContact O-N 2.9Å; F388-L390 VanDerWaalsContact C-N 3.32Å; F388-L390 PolarHBondContact O-N 2.93Å; L390-R393 PolarHBondContact O-N 3.21Å; L390-Q394 WeakPolarHBondContact O-CG 3.34Å; L390-Q394 PolarHBondContact O-N 3.49Å; L390-Q394 VanDerWaalsContact O-N 3.08Å
391	I	93.1	Very high	92.3	Very high	69 Å²	69	109.7 Å²	109.7	35%	0.354	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-48.9	175.6	-65.6	167.4	0	0	0	110.5	K387 F388 R393 Q394 Q395	K387-I391 HydrophobicContact CG-CD1 4.45Å; K387-I391 WeakPolarHBondContact O-CG1 3.49Å; K387-I391 PolarHBondContact O-N 2.96Å; F388-I391 PolarHBondContact O-N 2.97Å; I391-R393 VanDerWaalsContact C-N 3.3Å; I391-R393 PolarHBondContact O-N 3.25Å; I391-Q394 WeakPolarHBondContact O-CB 3.42Å; I391-Q394 PolarHBondContact O-N 3Å; I391-Q394 VanDerWaalsContact O-N 3.16Å; I391-Q395 HydrophobicContact CG2-CG 4.42Å; I391-Q395 WeakPolarHBondContact O-CG 3.45Å; I391-Q395 PolarHBondContact O-N 2.91Å
392	Y	92.8	Very high	92.2	Very high	122 Å²	122	108.5 Å²	108.5	48%	0.478	52%	0.517	S	S	.	.	H	α-helix	trans	-57.5	-42.4	176.9	172.2	-98.4	0	0	0	112	F388 F389 Q394 Q395 K396	F388-Y392 WeakPolarHBondContact O-CB 3.4Å; F388-Y392 PolarHBondContact O-N 3.38Å; F389-Y392 PolarHBondContact O-N 3.47Å; Y392-Q394 PolarHBondContact O-N 2.69Å; Y392-Q395 PolarHBondContact O-N 3.27Å; Y392-K396 HydrophobicContact CE1-CD 3.93Å; Y392-K396 VanDerWaalsContact O-CB 3.32Å; Y392-K396 WeakPolarHBondContact O-CB 3.48Å; Y392-K396 PolarHBondContact O-N 3.38Å; Y392-K396 PolarHBondContact OH-NZ 3.13Å
393	R	93.1	Very high	92.1	Very high	168 Å²	168	106.8 Å²	106.8	63%	0.634	51%	0.509	S	S	*	.	H	α-helix	trans	-63	-42.1	177.6	-176.1	179.6	171.4	-170.4	-2.8	111.7	F389 L390 I391 W397	F389-R393 WeakPolarHBondContact O-CB 3.33Å; F389-R393 PolarHBondContact O-N 3.01Å; L390-R393 PolarHBondContact O-N 3.21Å; I391-R393 VanDerWaalsContact C-N 3.3Å; I391-R393 PolarHBondContact O-N 3.25Å; R393-W397 WeakPolarHBondContact O-CB 3.34Å; R393-W397 PolarHBondContact O-N 3.47Å
394	Q	90.4	Very high	92.1	Very high	137 Å²	137	105.6 Å²	105.6	64%	0.64	51%	0.511	S	S	*	.	H	α-helix	trans	-62.7	-46.7	175	-73.9	176.3	-6	0	0	111.3	L390 I391 Y392 W397 A398	L390-Q394 WeakPolarHBondContact O-CG 3.34Å; L390-Q394 PolarHBondContact O-N 3.49Å; L390-Q394 VanDerWaalsContact O-N 3.08Å; I391-Q394 WeakPolarHBondContact O-CB 3.42Å; I391-Q394 PolarHBondContact O-N 3Å; I391-Q394 VanDerWaalsContact O-N 3.16Å; Y392-Q394 PolarHBondContact O-N 2.69Å; Q394-W397 PolarHBondContact O-N 2.85Å; Q394-A398 WeakPolarHBondContact O-CB 3.43Å; Q394-A398 PolarHBondContact O-N 3.34Å
395	Q	92.1	Very high	91.9	Very high	108 Å²	108	102.6 Å²	102.6	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177.8	-71.3	173.6	-16.6	0	0	112.1	I391 Y392 W397 A398 S399	I391-Q395 HydrophobicContact CG2-CG 4.42Å; I391-Q395 WeakPolarHBondContact O-CG 3.45Å; I391-Q395 PolarHBondContact O-N 2.91Å; Y392-Q395 PolarHBondContact O-N 3.27Å; Q395-W397 PolarHBondContact O-N 3.28Å; Q395-A398 PolarHBondContact O-N 3.05Å; Q395-S399 WeakPolarHBondContact O-CB 3.42Å; Q395-S399 PolarHBondContact O-N 3.41Å
396	K	91.4	Very high	91.7	Very high	127 Å²	127	107.4 Å²	107.4	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-62.7	-42.8	177.1	-170.3	170.8	-169.9	165.4	0	111.5	Y392 S399 G400	Y392-K396 HydrophobicContact CE1-CD 3.93Å; Y392-K396 VanDerWaalsContact O-CB 3.32Å; Y392-K396 WeakPolarHBondContact O-CB 3.48Å; Y392-K396 PolarHBondContact O-N 3.38Å; Y392-K396 PolarHBondContact OH-NZ 3.13Å; K396-S399 PolarHBondContact O-N 2.99Å; K396-S399 PolarHBondContact O-OG 3.4Å; K396-G400 PolarHBondContact O-N 2.89Å; K396-G400 VanDerWaalsContact O-N 3.1Å
397	W	89.3	Confident	91.8	Very high	197 Å²	197	104.7 Å²	104.7	75%	0.746	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-47.5	175	-175.7	76.6	0	0	0	111.7	R393 Q394 Q395 S399 G400 V401	R393-W397 WeakPolarHBondContact O-CB 3.34Å; R393-W397 PolarHBondContact O-N 3.47Å; Q394-W397 PolarHBondContact O-N 2.85Å; Q395-W397 PolarHBondContact O-N 3.28Å; W397-S399 VanDerWaalsContact C-N 3.33Å; W397-S399 PolarHBondContact O-N 2.86Å; W397-G400 PolarHBondContact O-N 3.47Å; W397-G400 VanDerWaalsContact O-N 3.16Å; W397-V401 HydrophobicContact CD2-CG2 4.24Å; W397-V401 HydrophobicContact CE3-CG2 4.47Å; W397-V401 HydrophobicContact CH2-CG2 4.28Å; W397-V401 HydrophobicContact CZ2-CG2 4.03Å; W397-V401 HydrophobicContact CZ3-CG2 4.49Å; W397-V401 WeakPolarHBondContact O-CG2 3.38Å; W397-V401 PolarHBondContact O-N 3.49Å
398	A	91	Very high	91.7	Very high	39 Å²	39	104.3 Å²	104.3	32%	0.322	52%	0.515	S	S	.	.	H	α-helix	trans	-58.3	-43.8	176	0	0	0	0	0	112	Q394 Q395 G400 V401 I402	Q394-A398 WeakPolarHBondContact O-CB 3.43Å; Q394-A398 PolarHBondContact O-N 3.34Å; Q395-A398 PolarHBondContact O-N 3.05Å; A398-G400 VanDerWaalsContact C-N 3.3Å; A398-G400 PolarHBondContact O-N 3.02Å; A398-V401 PolarHBondContact O-N 2.85Å; A398-I402 VanDerWaalsContact O-CG1 3.27Å; A398-I402 WeakPolarHBondContact O-CG1 3.29Å; A398-I402 PolarHBondContact O-N 3.25Å
399	S	93.5	Very high	91.6	Very high	67 Å²	67	103.2 Å²	103.2	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-60.1	-38.9	177.1	75.6	0	0	0	0	112.4	Q395 K396 W397 I402 A403	Q395-S399 WeakPolarHBondContact O-CB 3.42Å; Q395-S399 PolarHBondContact O-N 3.41Å; K396-S399 PolarHBondContact O-N 2.99Å; K396-S399 PolarHBondContact O-OG 3.4Å; W397-S399 VanDerWaalsContact C-N 3.33Å; W397-S399 PolarHBondContact O-N 2.86Å; S399-I402 PolarHBondContact O-N 2.89Å; S399-A403 VanDerWaalsContact O-CB 3.28Å; S399-A403 WeakPolarHBondContact O-CB 3.28Å; S399-A403 PolarHBondContact O-N 2.89Å
400	G	89.7	Confident	91.7	Very high	30 Å²	30	99.9 Å²	99.9	31%	0.309	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-43.9	176.2	0	0	0	0	0	112.4	K396 W397 A398 A403 I404	K396-G400 PolarHBondContact O-N 2.89Å; K396-G400 VanDerWaalsContact O-N 3.1Å; W397-G400 PolarHBondContact O-N 3.47Å; W397-G400 VanDerWaalsContact O-N 3.16Å; A398-G400 VanDerWaalsContact C-N 3.3Å; A398-G400 PolarHBondContact O-N 3.02Å; G400-A403 PolarHBondContact O-N 3.36Å; G400-I404 VanDerWaalsContact O-CG1 3.31Å; G400-I404 WeakPolarHBondContact O-CG1 3.43Å; G400-I404 PolarHBondContact O-N 2.74Å
401	V	91.6	Very high	91.8	Very high	72 Å²	72	101.4 Å²	101.4	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-46	176.1	175.4	0	0	0	0	110.9	W397 A398 I404 A405	W397-V401 HydrophobicContact CD2-CG2 4.24Å; W397-V401 HydrophobicContact CE3-CG2 4.47Å; W397-V401 HydrophobicContact CH2-CG2 4.28Å; W397-V401 HydrophobicContact CZ2-CG2 4.03Å; W397-V401 HydrophobicContact CZ3-CG2 4.49Å; W397-V401 WeakPolarHBondContact O-CG2 3.38Å; W397-V401 PolarHBondContact O-N 3.49Å; A398-V401 PolarHBondContact O-N 2.85Å; V401-I404 PolarHBondContact O-N 2.95Å; V401-A405 WeakPolarHBondContact O-CB 3.46Å; V401-A405 PolarHBondContact O-N 2.99Å
402	I	91.9	Very high	91.8	Very high	118 Å²	118	104 Å²	104	61%	0.605	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-45.9	177.9	-67.7	165.9	0	0	0	110.6	A398 S399 I404 A405 W406	A398-I402 VanDerWaalsContact O-CG1 3.27Å; A398-I402 WeakPolarHBondContact O-CG1 3.29Å; A398-I402 PolarHBondContact O-N 3.25Å; S399-I402 PolarHBondContact O-N 2.89Å; I402-I404 PolarHBondContact O-N 2.6Å; I402-A405 PolarHBondContact O-N 2.94Å; I402-W406 WeakPolarHBondContact O-CB 3.17Å; I402-W406 PolarHBondContact O-N 3.47Å
403	A	91.3	Very high	91.8	Very high	49 Å²	49	101.7 Å²	101.7	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-44.6	179.5	0	0	0	0	0	112.3	S399 G400 W406 L407	S399-A403 VanDerWaalsContact O-CB 3.28Å; S399-A403 WeakPolarHBondContact O-CB 3.28Å; S399-A403 PolarHBondContact O-N 2.89Å; G400-A403 PolarHBondContact O-N 3.36Å; A403-W406 PolarHBondContact O-N 2.92Å; A403-L407 WeakPolarHBondContact O-CG 3.25Å; A403-L407 PolarHBondContact O-N 3.28Å
404	I	91.1	Very high	91.9	Very high	108 Å²	108	102.1 Å²	102.1	55%	0.554	52%	0.516	S	S	*	.	H	α-helix	trans	-64.3	-45.5	177.3	-68	167.4	0	0	0	110.7	G400 V401 I402 W406 L407 L408	G400-I404 VanDerWaalsContact O-CG1 3.31Å; G400-I404 WeakPolarHBondContact O-CG1 3.43Å; G400-I404 PolarHBondContact O-N 2.74Å; V401-I404 PolarHBondContact O-N 2.95Å; I402-I404 PolarHBondContact O-N 2.6Å; I404-W406 VanDerWaalsContact C-N 3.3Å; I404-W406 PolarHBondContact O-N 3.4Å; I404-L407 PolarHBondContact O-N 3.26Å; I404-L408 HydrophobicContact CG2-CD1 4.04Å; I404-L408 HydrophobicContact CG2-CG 4.44Å; I404-L408 WeakPolarHBondContact O-CG 3.43Å; I404-L408 PolarHBondContact O-N 3.1Å
405	A	89.8	Confident	92.1	Very high	57 Å²	57	99.3 Å²	99.3	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-42	177.5	0	0	0	0	0	111.6	V401 I402 L408 H409	V401-A405 WeakPolarHBondContact O-CB 3.46Å; V401-A405 PolarHBondContact O-N 2.99Å; I402-A405 PolarHBondContact O-N 2.94Å; A405-L408 PolarHBondContact O-N 3.29Å; A405-H409 WeakPolarHBondContact O-CB 3.46Å; A405-H409 PolarHBondContact O-N 3.44Å
406	W	91.3	Very high	92.2	Very high	159 Å²	159	100.5 Å²	100.5	60%	0.602	51%	0.509	S	S	*	.	H	α-helix	trans	-63.5	-46.6	175.5	179.4	-111.9	0	0	0	112.3	I402 A403 I404 L408 H409 C410	I402-W406 WeakPolarHBondContact O-CB 3.17Å; I402-W406 PolarHBondContact O-N 3.47Å; A403-W406 PolarHBondContact O-N 2.92Å; I404-W406 VanDerWaalsContact C-N 3.3Å; I404-W406 PolarHBondContact O-N 3.4Å; W406-L408 PolarHBondContact O-N 2.94Å; W406-H409 WeakPolarHBondContact O-CB 3.22Å; W406-H409 PolarHBondContact O-N 3.39Å; W406-H409 VanDerWaalsContact O-N 3.15Å; W406-C410 PolarHBondContact O-N 2.86Å; W406-C410 PolarHBondContact O-SG 3.38Å
407	L	93	Very high	92.4	Very high	118 Å²	118	100.9 Å²	100.9	62%	0.618	51%	0.511	S	S	*	.	H	α-helix	trans	-60.7	-43.5	177.3	-73.3	172.6	0	0	0	112.1	A403 I404 H409 C410 H411	A403-L407 WeakPolarHBondContact O-CG 3.25Å; A403-L407 PolarHBondContact O-N 3.28Å; I404-L407 PolarHBondContact O-N 3.26Å; L407-H409 VanDerWaalsContact C-N 3.33Å; L407-H409 PolarHBondContact O-N 2.89Å; L407-C410 PolarHBondContact O-N 3.06Å; L407-H411 WeakPolarHBondContact O-CB 3.26Å; L407-H411 PolarHBondContact O-N 2.95Å
408	L	91.2	Very high	92.7	Very high	116 Å²	116	95.4 Å²	95.4	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-63.1	-40.2	175	-71.9	174.4	0	0	0	111.6	I404 A405 W406 H411 K412	I404-L408 HydrophobicContact CG2-CD1 4.04Å; I404-L408 HydrophobicContact CG2-CG 4.44Å; I404-L408 WeakPolarHBondContact O-CG 3.43Å; I404-L408 PolarHBondContact O-N 3.1Å; A405-L408 PolarHBondContact O-N 3.29Å; W406-L408 PolarHBondContact O-N 2.94Å; L408-H411 PolarHBondContact O-N 3.03Å; L408-K412 VanDerWaalsContact O-CB 3.23Å; L408-K412 WeakPolarHBondContact O-CB 3.21Å; L408-K412 PolarHBondContact O-N 3.44Å
409	H	92.5	Very high	92.7	Very high	104 Å²	104	97.9 Å²	97.9	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-51.6	174	-179.8	85.1	0	0	0	111.2	A405 W406 L407 H411 K412 T413	A405-H409 WeakPolarHBondContact O-CB 3.46Å; A405-H409 PolarHBondContact O-N 3.44Å; W406-H409 WeakPolarHBondContact O-CB 3.22Å; W406-H409 PolarHBondContact O-N 3.39Å; W406-H409 VanDerWaalsContact O-N 3.15Å; L407-H409 VanDerWaalsContact C-N 3.33Å; L407-H409 PolarHBondContact O-N 2.89Å; H409-H411 VanDerWaalsContact C-N 3.33Å; H409-H411 PolarHBondContact O-N 2.83Å; H409-K412 PolarHBondContact O-N 3.15Å; H409-T413 PolarHBondContact NE2-OG1 3.48Å; H409-T413 WeakPolarHBondContact O-CB 3.43Å; H409-T413 PolarHBondContact O-N 3.49Å; H409-T413 PolarHBondContact O-OG1 2.9Å
410	C	93.6	Very high	92.8	Very high	51 Å²	51	102.2 Å²	102.2	35%	0.345	51%	0.513	S	S	.	.	H	α-helix	trans	-57.8	-44.6	177.3	-66.8	0	0	0	0	112.1	W406 L407 T413 R414	W406-C410 PolarHBondContact O-N 2.86Å; W406-C410 PolarHBondContact O-SG 3.38Å; L407-C410 PolarHBondContact O-N 3.06Å; C410-T413 PolarHBondContact O-N 3.45Å; C410-R414 WeakPolarHBondContact O-CB 3.4Å; C410-R414 PolarHBondContact O-N 3.18Å
411	H	93.4	Very high	93.1	Very high	113 Å²	113	105.4 Å²	105.4	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-46	178	-172	-101.9	0	0	0	111.7	L407 L408 H409 T413 R414 L415	L407-H411 WeakPolarHBondContact O-CB 3.26Å; L407-H411 PolarHBondContact O-N 2.95Å; L408-H411 PolarHBondContact O-N 3.03Å; H409-H411 VanDerWaalsContact C-N 3.33Å; H409-H411 PolarHBondContact O-N 2.83Å; H411-T413 PolarHBondContact O-N 3.09Å; H411-R414 PolarHBondContact O-N 2.87Å; H411-L415 WeakPolarHBondContact CE1-CD1 3.48Å; H411-L415 WeakPolarHBondContact O-CB 3.39Å; H411-L415 WeakPolarHBondContact O-CG 3.49Å; H411-L415 PolarHBondContact O-N 3.06Å
412	K	93.3	Very high	93.2	Very high	125 Å²	125	103.4 Å²	103.4	54%	0.543	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-43.7	175.8	-176.4	177.4	-177.6	176.6	0	111.7	L408 H409 L415 K416	L408-K412 VanDerWaalsContact O-CB 3.23Å; L408-K412 WeakPolarHBondContact O-CB 3.21Å; L408-K412 PolarHBondContact O-N 3.44Å; H409-K412 PolarHBondContact O-N 3.15Å; K412-L415 PolarHBondContact O-N 3.05Å; K412-K416 WeakPolarHBondContact O-CB 3.36Å; K412-K416 WeakPolarHBondContact O-CG 3.39Å; K412-K416 PolarHBondContact O-N 3.37Å
413	T	93.9	Very high	93.3	Very high	72 Å²	72	103.5 Å²	103.5	44%	0.442	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-43.8	178.3	-62	0	0	0	0	111.2	H409 C410 H411 K416 K417	H409-T413 PolarHBondContact NE2-OG1 3.48Å; H409-T413 WeakPolarHBondContact O-CB 3.43Å; H409-T413 PolarHBondContact O-N 3.49Å; H409-T413 PolarHBondContact O-OG1 2.9Å; C410-T413 PolarHBondContact O-N 3.45Å; H411-T413 PolarHBondContact O-N 3.09Å; T413-K416 PolarHBondContact O-N 3.25Å; T413-K417 PolarHBondContact O-N 3.4Å
414	R	95.4	Very high	93.5	Very high	177 Å²	177	106.3 Å²	106.3	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-60.8	-47.8	173.9	-178	-179.5	175.8	-179.8	-0.7	112.1	C410 H411 K416 K417 I418	C410-R414 WeakPolarHBondContact O-CB 3.4Å; C410-R414 PolarHBondContact O-N 3.18Å; H411-R414 PolarHBondContact O-N 2.87Å; R414-K416 PolarHBondContact O-N 3.45Å; R414-K417 WeakPolarHBondContact O-CB 3.41Å; R414-K417 PolarHBondContact O-N 2.67Å; R414-I418 HydrophobicContact CG-CD1 4.03Å; R414-I418 WeakPolarHBondContact O-CG1 3.5Å; R414-I418 PolarHBondContact O-N 3.5Å
415	L	94.6	Very high	93.8	Very high	78 Å²	78	107.6 Å²	107.6	41%	0.408	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-43.5	178	-78.1	177.3	0	0	0	112	H411 K412 K417 I418 L419	H411-L415 WeakPolarHBondContact CE1-CD1 3.48Å; H411-L415 WeakPolarHBondContact O-CB 3.39Å; H411-L415 WeakPolarHBondContact O-CG 3.49Å; H411-L415 PolarHBondContact O-N 3.06Å; K412-L415 PolarHBondContact O-N 3.05Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 2.93Å; L415-I418 PolarHBondContact O-N 3.42Å; L415-L419 WeakPolarHBondContact O-CB 3.46Å; L415-L419 WeakPolarHBondContact O-CG 2.71Å; L415-L419 PolarHBondContact O-N 2.88Å
416	K	93.9	Very high	94.1	Very high	133 Å²	133	106.6 Å²	106.6	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-57.3	-42	174.8	-80	-177.7	172.1	-169.6	0	111.8	K412 T413 R414 L419 K420	K412-K416 WeakPolarHBondContact O-CB 3.36Å; K412-K416 WeakPolarHBondContact O-CG 3.39Å; K412-K416 PolarHBondContact O-N 3.37Å; T413-K416 PolarHBondContact O-N 3.25Å; R414-K416 PolarHBondContact O-N 3.45Å; K416-L419 PolarHBondContact O-N 3.18Å; K416-K420 WeakPolarHBondContact O-CB 3.34Å; K416-K420 PolarHBondContact O-N 3.4Å
417	K	95.1	Very high	94.4	Very high	136 Å²	136	100.2 Å²	100.2	59%	0.591	47%	0.467	S	S	*	.	H	α-helix	trans	-62.6	-49.9	176.4	-175.5	175.8	175.9	177.6	0	111.6	T413 R414 L415 L419 K420 E421	T413-K417 PolarHBondContact O-N 3.4Å; R414-K417 WeakPolarHBondContact O-CB 3.41Å; R414-K417 PolarHBondContact O-N 2.67Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 2.93Å; K417-L419 VanDerWaalsContact C-N 3.33Å; K417-L419 PolarHBondContact O-N 2.94Å; K417-K420 WeakPolarHBondContact O-CB 3.25Å; K417-K420 PolarHBondContact O-N 2.87Å; K417-E421 WeakPolarHBondContact CE-OE1 3.42Å; K417-E421 WeakPolarHBondContact CG-OE1 3.49Å; K417-E421 WeakPolarHBondContact O-CG 3.32Å; K417-E421 PolarHBondContact O-N 3.5Å
418	I	95.4	Very high	94.6	Very high	82 Å²	82	98.8 Å²	98.8	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-59.5	-43.7	178.1	-66.2	167.9	0	0	0	111.2	R414 L415 E421 S422	R414-I418 HydrophobicContact CG-CD1 4.03Å; R414-I418 WeakPolarHBondContact O-CG1 3.5Å; R414-I418 PolarHBondContact O-N 3.5Å; L415-I418 PolarHBondContact O-N 3.42Å; I418-E421 PolarHBondContact O-N 3.37Å; I418-S422 WeakPolarHBondContact O-CB 3.26Å; I418-S422 PolarHBondContact O-N 3.12Å
419	L	92.3	Very high	94.9	Very high	91 Å²	91	95.6 Å²	95.6	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177.8	-73	172.2	0	0	0	112.1	L415 K416 K417 S422 R423	L415-L419 WeakPolarHBondContact O-CB 3.46Å; L415-L419 WeakPolarHBondContact O-CG 2.71Å; L415-L419 PolarHBondContact O-N 2.88Å; K416-L419 PolarHBondContact O-N 3.18Å; K417-L419 VanDerWaalsContact C-N 3.33Å; K417-L419 PolarHBondContact O-N 2.94Å; L419-S422 PolarHBondContact O-N 3.01Å; L419-R423 WeakPolarHBondContact O-CB 3.38Å; L419-R423 VanDerWaalsContact O-CG 3.25Å; L419-R423 WeakPolarHBondContact O-CG 3.23Å; L419-R423 PolarHBondContact O-N 3.11Å
420	K	94.1	Very high	95.1	Very high	158 Å²	158	91 Å²	91	69%	0.687	42%	0.42	S	S	*	.	H	α-helix	trans	-62.5	-46.9	175.3	-173.1	178.7	179.1	-179.1	0	110.8	K416 K417 S422 R423 Q424	K416-K420 WeakPolarHBondContact O-CB 3.34Å; K416-K420 PolarHBondContact O-N 3.4Å; K417-K420 WeakPolarHBondContact O-CB 3.25Å; K417-K420 PolarHBondContact O-N 2.87Å; K420-S422 PolarHBondContact O-N 3.25Å; K420-R423 PolarHBondContact O-N 3.28Å; K420-Q424 PolarHBondContact O-N 3.48Å
421	E	95.8	Very high	95.3	Very high	97 Å²	97	92.8 Å²	92.8	45%	0.453	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-41.9	176.4	-70.7	169.1	-173.3	0	0	112	K417 I418 Q424 R425	K417-E421 WeakPolarHBondContact CE-OE1 3.42Å; K417-E421 WeakPolarHBondContact CG-OE1 3.49Å; K417-E421 WeakPolarHBondContact O-CG 3.32Å; K417-E421 PolarHBondContact O-N 3.5Å; I418-E421 PolarHBondContact O-N 3.37Å; E421-Q424 PolarHBondContact O-N 3.05Å; E421-R425 PolarHBondContact O-N 2.94Å
422	S	94.9	Very high	95.5	Very high	30 Å²	30	92 Å²	92	21%	0.21	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-45.3	176.4	-160.8	0	0	0	0	112	I418 L419 K420 Q424 R425 H426	I418-S422 WeakPolarHBondContact O-CB 3.26Å; I418-S422 PolarHBondContact O-N 3.12Å; L419-S422 PolarHBondContact O-N 3.01Å; K420-S422 PolarHBondContact O-N 3.25Å; S422-Q424 VanDerWaalsContact C-N 3.34Å; S422-Q424 PolarHBondContact O-N 2.92Å; S422-R425 WeakPolarHBondContact O-CB 3.48Å; S422-R425 PolarHBondContact O-N 3.01Å; S422-R425 VanDerWaalsContact O-N 3.16Å; S422-H426 PolarHBondContact O-CD2 2.96Å; S422-H426 VanDerWaalsContact O-CG 3.26Å; S422-H426 PolarHBondContact O-N 2.91Å; S422-H426 PolarHBondContact OG-NE2 3.06Å
423	R	93.3	Very high	95.6	Very high	119 Å²	119	87.5 Å²	87.5	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-40.5	177.9	-74.5	170.5	178.5	174.1	0	112.1	L419 K420 R425 H426 L427	L419-R423 WeakPolarHBondContact O-CB 3.38Å; L419-R423 VanDerWaalsContact O-CG 3.25Å; L419-R423 WeakPolarHBondContact O-CG 3.23Å; L419-R423 PolarHBondContact O-N 3.11Å; K420-R423 PolarHBondContact O-N 3.28Å; R423-R425 VanDerWaalsContact C-N 3.3Å; R423-R425 PolarHBondContact O-N 3.25Å; R423-H426 PolarHBondContact O-N 3.17Å; R423-L427 PolarHBondContact O-N 3.24Å
424	Q	95.6	Very high	95.7	Very high	108 Å²	108	85.5 Å²	85.5	51%	0.505	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-41.8	174.5	-170.6	63.3	31.2	0	0	111.3	K420 E421 S422 L427 E428	K420-Q424 PolarHBondContact O-N 3.48Å; E421-Q424 PolarHBondContact O-N 3.05Å; S422-Q424 VanDerWaalsContact C-N 3.34Å; S422-Q424 PolarHBondContact O-N 2.92Å; Q424-L427 PolarHBondContact O-N 2.99Å; Q424-E428 PolarHBondContact O-N 3.29Å
425	R	96.7	Very high	95.7	Very high	136 Å²	136	84.8 Å²	84.8	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-45.3	175.9	-168.1	-172.1	-56.1	115.1	3.9	112.1	E421 S422 R423 L427 E428 N429	E421-R425 PolarHBondContact O-N 2.94Å; S422-R425 WeakPolarHBondContact O-CB 3.48Å; S422-R425 PolarHBondContact O-N 3.01Å; S422-R425 VanDerWaalsContact O-N 3.16Å; R423-R425 VanDerWaalsContact C-N 3.3Å; R423-R425 PolarHBondContact O-N 3.25Å; R425-L427 VanDerWaalsContact C-N 3.28Å; R425-L427 PolarHBondContact O-N 3.39Å; R425-E428 PolarHBondContact O-N 3.49Å; R425-N429 WeakPolarHBondContact O-CB 3.46Å; R425-N429 VanDerWaalsContact O-CG 3.22Å; R425-N429 PolarHBondContact O-N 3.37Å; R425-N429 PolarHBondContact O-ND2 3.1Å
426	H	97.1	Very high	95.8	Very high	35 Å²	35	86.4 Å²	86.4	16%	0.162	40%	0.396	C	S	.	.	H	α-helix	trans	-59.4	-40.3	176.8	-62.3	-44.7	0	0	0	111.9	S422 R423 F430 L585 D589	S422-H426 PolarHBondContact O-CD2 2.96Å; S422-H426 VanDerWaalsContact O-CG 3.26Å; S422-H426 PolarHBondContact O-N 2.91Å; S422-H426 PolarHBondContact OG-NE2 3.06Å; R423-H426 PolarHBondContact O-N 3.17Å; H426-F430 VanDerWaalsContact O-CB 3.29Å; H426-F430 WeakPolarHBondContact O-CB 3.44Å; H426-F430 PolarHBondContact O-N 3.43Å; H426-L585 HydrophobicContact CB-CB 3.95Å; H426-D589 WeakPolarHBondContact CA-OD2 3.38Å; H426-D589 IonicContact CE1-OD2 3.63Å; H426-D589 IonicContact CG-OD2 2.66Å; H426-D589 IonicContact ND1-OD2 3.01Å; H426-D589 PolarHBondContact ND1-OD2 3.25Å
427	L	96.8	Very high	95.9	Very high	26 Å²	26	80.3 Å²	80.3	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-66.2	-44.9	176.7	-176.7	62.8	0	0	0	112.2	R423 Q424 R425 F430 R431 L585 E599	R423-L427 PolarHBondContact O-N 3.24Å; Q424-L427 PolarHBondContact O-N 2.99Å; R425-L427 VanDerWaalsContact C-N 3.28Å; R425-L427 PolarHBondContact O-N 3.39Å; L427-F430 HydrophobicContact CD1-CD1 4.42Å; L427-F430 WeakPolarHBondContact O-CB 3.42Å; L427-F430 PolarHBondContact O-N 2.96Å; L427-R431 WeakPolarHBondContact O-CG 3.19Å; L427-R431 PolarHBondContact O-N 3.2Å; L427-L585 HydrophobicContact CB-CD1 4.47Å; L427-L585 HydrophobicContact CD1-CD1 4.13Å; L427-E599 HydrophobicContact CD1-CG 4.11Å
428	E	97.2	Very high	95.9	Very high	87 Å²	87	75.5 Å²	75.5	41%	0.407	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-45.1	178.3	-171.7	57.3	-150.8	0	0	111.5	Q424 R425 F430 R431 I432	Q424-E428 PolarHBondContact O-N 3.29Å; R425-E428 PolarHBondContact O-N 3.49Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 3.37Å; E428-R431 WeakPolarHBondContact O-CB 3.33Å; E428-R431 PolarHBondContact O-N 3.34Å; E428-R431 VanDerWaalsContact O-N 3.15Å; E428-I432 HydrophobicContact CG-CD1 4.22Å; E428-I432 WeakPolarHBondContact O-CG1 3.32Å; E428-I432 PolarHBondContact O-N 2.85Å
429	N	97.9	Very high	95.9	Very high	49 Å²	49	75.6 Å²	75.6	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-40.2	175.2	-71.9	-14.9	0	0	0	112	R425 I432 R433 D589	R425-N429 WeakPolarHBondContact O-CB 3.46Å; R425-N429 VanDerWaalsContact O-CG 3.22Å; R425-N429 PolarHBondContact O-N 3.37Å; R425-N429 PolarHBondContact O-ND2 3.1Å; N429-I432 PolarHBondContact O-N 3.21Å; N429-R433 WeakPolarHBondContact O-CB 3.44Å; N429-R433 WeakPolarHBondContact O-CG 3.41Å; N429-R433 PolarHBondContact O-N 3.22Å; N429-D589 WeakPolarHBondContact CB-OD1 3.2Å; N429-D589 PolarHBondContact ND2-OD1 3.38Å; N429-D589 PolarHBondContact ND2-OD2 2.65Å
430	F	97.5	Very high	96.1	Very high	8 Å²	8	73.3 Å²	73.3	4%	0.035	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-48.3	173	164.9	-92.4	0	0	0	111.4	H426 L427 E428 I432 R433 A434 L580 L585 I595 G597 E599	H426-F430 VanDerWaalsContact O-CB 3.29Å; H426-F430 WeakPolarHBondContact O-CB 3.44Å; H426-F430 PolarHBondContact O-N 3.43Å; L427-F430 HydrophobicContact CD1-CD1 4.42Å; L427-F430 WeakPolarHBondContact O-CB 3.42Å; L427-F430 PolarHBondContact O-N 2.96Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 3.37Å; F430-I432 VanDerWaalsContact C-N 3.34Å; F430-I432 PolarHBondContact O-N 3.26Å; F430-R433 PolarHBondContact O-N 2.93Å; F430-A434 HydrophobicContact CZ-CB 4.47Å; F430-A434 VanDerWaalsContact O-CB 3.27Å; F430-A434 WeakPolarHBondContact O-CB 3.4Å; F430-A434 PolarHBondContact O-N 3.38Å; F430-L580 HydrophobicContact CE2-CD2 4.41Å; F430-L585 HydrophobicContact CB-CD1 4.43Å; F430-L585 HydrophobicContact CB-CD2 3.98Å; F430-L585 HydrophobicContact CD2-CD2 3.54Å; F430-L585 HydrophobicContact CE2-CD2 4.17Å; F430-L585 HydrophobicContact CG-CD2 3.75Å; F430-I595 HydrophobicContact CD2-CB 4.41Å; F430-I595 HydrophobicContact CD2-CD1 4.18Å; F430-I595 HydrophobicContact CD2-CG1 4.46Å; F430-I595 HydrophobicContact CE2-CB 4.09Å; F430-I595 HydrophobicContact CE2-CD1 4.42Å; F430-G597 WeakPolarHBondContact CZ-O 3.44Å; F430-E599 HydrophobicContact CD1-CG 4.11Å; F430-E599 HydrophobicContact CE1-CB 4.44Å; F430-E599 HydrophobicContact CE1-CG 3.52Å; F430-E599 HydrophobicContact CZ-CG 4.46Å
431	R	96.8	Very high	96.2	Very high	88 Å²	88	66.3 Å²	66.3	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-43.8	178.1	-71.9	172.5	174.9	173.9	-1.4	112.2	L427 E428 A434 K435 E599	L427-R431 WeakPolarHBondContact O-CG 3.19Å; L427-R431 PolarHBondContact O-N 3.2Å; E428-R431 WeakPolarHBondContact O-CB 3.33Å; E428-R431 PolarHBondContact O-N 3.34Å; E428-R431 VanDerWaalsContact O-N 3.15Å; R431-A434 PolarHBondContact O-N 3.21Å; R431-K435 WeakPolarHBondContact O-CG 3.3Å; R431-K435 PolarHBondContact O-N 3.17Å; R431-E599 WeakPolarHBondContact CG-OE1 3.17Å; R431-E599 IonicContact CZ-OE1 3.96Å; R431-E599 IonicContact CZ-OE2 3.97Å; R431-E599 IonicContact NE-OE1 2.67Å; R431-E599 PolarHBondContact NE-OE1 3.27Å; R431-E599 IonicContact NE-OE2 3.6Å; R431-E599 IonicContact NH2-OE1 3.57Å; R431-E599 PolarHBondContact NH2-OE1 3.37Å; R431-E599 VanDerWaalsContact NH2-OE1 3.15Å; R431-E599 IonicContact NH2-OE2 3.92Å; R431-E599 PolarHBondContact NH2-OE2 3.16Å
432	I	97.3	Very high	96.1	Very high	96 Å²	96	66.6 Å²	66.6	49%	0.492	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-49.8	177.5	-66.4	165.5	0	0	0	110.3	E428 N429 F430 A434 K435 H436	E428-I432 HydrophobicContact CG-CD1 4.22Å; E428-I432 WeakPolarHBondContact O-CG1 3.32Å; E428-I432 PolarHBondContact O-N 2.85Å; N429-I432 PolarHBondContact O-N 3.21Å; F430-I432 VanDerWaalsContact C-N 3.34Å; F430-I432 PolarHBondContact O-N 3.26Å; I432-A434 PolarHBondContact O-N 2.96Å; I432-K435 PolarHBondContact O-N 3Å; I432-H436 PolarHBondContact O-N 2.81Å; I432-H436 VanDerWaalsContact O-N 3.08Å
433	R	96.7	Very high	96.1	Very high	31 Å²	31	71.9 Å²	71.9	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-33.9	179.9	-71.4	-166.1	-61.4	-89.7	-14.2	112.8	N429 F430 H436 L437 D589 D592 I593 P594	N429-R433 WeakPolarHBondContact O-CB 3.44Å; N429-R433 WeakPolarHBondContact O-CG 3.41Å; N429-R433 PolarHBondContact O-N 3.22Å; F430-R433 PolarHBondContact O-N 2.93Å; R433-H436 PolarHBondContact O-N 2.78Å; R433-L437 WeakPolarHBondContact O-CB 3.3Å; R433-L437 PolarHBondContact O-N 2.79Å; R433-D589 IonicContact CZ-OD1 2.73Å; R433-D589 IonicContact NH1-OD1 3.7Å; R433-D589 PolarHBondContact NH1-OD1 2.99Å; R433-D589 IonicContact NH2-OD1 2.98Å; R433-D589 PolarHBondContact NH2-OD1 3.15Å; R433-D592 IonicContact NH1-OD1 3.78Å; R433-I593 PolarHBondContact NE-O 2.94Å; R433-P594 HydrophobicContact CB-CB 4.07Å
434	A	95.8	Very high	96.1	Very high	31 Å²	31	66.8 Å²	66.8	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-43.6	174.9	0	0	0	0	0	111.6	F430 R431 I432 H436 L437 A438	F430-A434 HydrophobicContact CZ-CB 4.47Å; F430-A434 VanDerWaalsContact O-CB 3.27Å; F430-A434 WeakPolarHBondContact O-CB 3.4Å; F430-A434 PolarHBondContact O-N 3.38Å; R431-A434 PolarHBondContact O-N 3.21Å; I432-A434 PolarHBondContact O-N 2.96Å; A434-H436 VanDerWaalsContact C-N 3.35Å; A434-H436 PolarHBondContact O-N 2.63Å; A434-L437 PolarHBondContact O-N 3.02Å; A434-A438 WeakPolarHBondContact O-CB 3.19Å; A434-A438 PolarHBondContact O-N 2.93Å
435	K	95.8	Very high	95.9	Very high	161 Å²	161	66.6 Å²	66.6	70%	0.7	32%	0.322	S	S	*	.	H	α-helix	trans	-60.6	-43.3	172.9	-72.6	176.1	-179.2	179.2	0	112	R431 I432 A438 A439	R431-K435 WeakPolarHBondContact O-CG 3.3Å; R431-K435 PolarHBondContact O-N 3.17Å; I432-K435 PolarHBondContact O-N 3Å; K435-A438 PolarHBondContact O-N 2.94Å; K435-A439 WeakPolarHBondContact O-CB 3.35Å; K435-A439 PolarHBondContact O-N 3.28Å
436	H	95.3	Very high	95.6	Very high	113 Å²	113	64.5 Å²	64.5	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-41	175.7	-179.3	-86.1	0	0	0	112.3	I432 R433 A434 N440	I432-H436 PolarHBondContact O-N 2.81Å; I432-H436 VanDerWaalsContact O-N 3.08Å; R433-H436 PolarHBondContact O-N 2.78Å; A434-H436 VanDerWaalsContact C-N 3.35Å; A434-H436 PolarHBondContact O-N 2.63Å; H436-N440 PolarHBondContact CD2-ND2 3.16Å; H436-N440 PolarHBondContact CE1-ND2 3.46Å; H436-N440 VanDerWaalsContact CE1-ND2 3.3Å; H436-N440 PolarHBondContact NE2-ND2 2.97Å; H436-N440 VanDerWaalsContact NE2-ND2 3.17Å; H436-N440 PolarHBondContact O-N 3.39Å; H436-N440 PolarHBondContact O-ND2 3.46Å
437	L	96.1	Very high	95.5	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-46.3	175.6	-178.8	65.7	0	0	0	110.8	R433 A434 N440 W441 I444 P594 P763	R433-L437 WeakPolarHBondContact O-CB 3.3Å; R433-L437 PolarHBondContact O-N 2.79Å; A434-L437 PolarHBondContact O-N 3.02Å; L437-N440 CarbonylContact O-C 3.37Å; L437-N440 PolarHBondContact O-N 2.99Å; L437-W441 HydrophobicContact CD1-CE3 3.89Å; L437-W441 HydrophobicContact CD1-CZ3 4.13Å; L437-W441 HydrophobicContact CG-CE3 4.22Å; L437-W441 WeakPolarHBondContact O-CA 3.47Å; L437-W441 WeakPolarHBondContact O-CB 3.49Å; L437-W441 PolarHBondContact O-N 3.09Å; L437-I444 HydrophobicContact CD1-CD1 3.86Å; L437-P594 HydrophobicContact CB-CB 3.92Å; L437-P594 HydrophobicContact CB-CG 4.22Å; L437-P594 HydrophobicContact CD1-CB 4.45Å; L437-P594 HydrophobicContact CD1-CG 3.99Å; L437-P594 HydrophobicContact CD2-CB 4.07Å; L437-P594 HydrophobicContact CD2-CG 4.41Å; L437-P594 HydrophobicContact CG-CB 4.37Å; L437-P594 HydrophobicContact CG-CG 4.43Å; L437-P763 HydrophobicContact CD2-CB 4.47Å; L437-P763 HydrophobicContact CD2-CG 3.85Å; L437-P763 HydrophobicContact CG-CB 4.26Å; L437-P763 HydrophobicContact CG-CG 4Å
438	A	95.8	Very high	95.4	Very high	35 Å²	35	71.1 Å²	71.1	29%	0.289	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-48.7	177.6	0	0	0	0	0	112.5	A434 K435 N440 W441 P763	A434-A438 WeakPolarHBondContact O-CB 3.19Å; A434-A438 PolarHBondContact O-N 2.93Å; K435-A438 PolarHBondContact O-N 2.94Å; A438-N440 VanDerWaalsContact C-N 3.26Å; A438-N440 PolarHBondContact O-N 3.36Å; A438-W441 PolarHBondContact O-N 3.33Å; A438-P763 HydrophobicContact CB-CB 4.09Å; A438-P763 WeakPolarHBondContact CB-O 3.29Å
439	A	96.2	Very high	95.3	Very high	85 Å²	85	67.9 Å²	67.9	70%	0.702	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-33.3	-179.5	0	0	0	0	0	113.1	K435	K435-A439 WeakPolarHBondContact O-CB 3.35Å; K435-A439 PolarHBondContact O-N 3.28Å
440	N	95.9	Very high	95.3	Very high	42 Å²	42	65.8 Å²	65.8	23%	0.225	32%	0.324	C	S	.	.	H	α-helix	trans	-103.6	5.3	-176.9	-64.2	-69.5	0	0	0	113.8	H436 L437 A438 N442 R443 I444	H436-N440 PolarHBondContact CD2-ND2 3.16Å; H436-N440 PolarHBondContact CE1-ND2 3.46Å; H436-N440 VanDerWaalsContact CE1-ND2 3.3Å; H436-N440 PolarHBondContact NE2-ND2 2.97Å; H436-N440 VanDerWaalsContact NE2-ND2 3.17Å; H436-N440 PolarHBondContact O-N 3.39Å; H436-N440 PolarHBondContact O-ND2 3.46Å; L437-N440 CarbonylContact O-C 3.37Å; L437-N440 PolarHBondContact O-N 2.99Å; A438-N440 VanDerWaalsContact C-N 3.26Å; A438-N440 PolarHBondContact O-N 3.36Å; N440-N442 PolarHBondContact O-N 3.01Å; N440-R443 WeakPolarHBondContact O-CB 3.43Å; N440-R443 PolarHBondContact O-N 3.31Å; N440-R443 VanDerWaalsContact O-N 3.08Å; N440-I444 HydrophobicContact CB-CD1 3.78Å; N440-I444 HydrophobicContact CB-CG1 4.22Å; N440-I444 WeakPolarHBondContact O-CG1 3.47Å; N440-I444 PolarHBondContact O-N 2.93Å
441	W	95.8	Very high	95.3	Very high	11 Å²	11	65.6 Å²	65.6	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-44.3	-168.3	-179.4	-114.2	0	0	0	113.4	L437 A438 R443 I444 R445 Y574 L596 E762 P763	L437-W441 HydrophobicContact CD1-CE3 3.89Å; L437-W441 HydrophobicContact CD1-CZ3 4.13Å; L437-W441 HydrophobicContact CG-CE3 4.22Å; L437-W441 WeakPolarHBondContact O-CA 3.47Å; L437-W441 WeakPolarHBondContact O-CB 3.49Å; L437-W441 PolarHBondContact O-N 3.09Å; A438-W441 PolarHBondContact O-N 3.33Å; W441-R443 PolarHBondContact O-N 3.18Å; W441-I444 PolarHBondContact O-N 2.81Å; W441-R445 VanDerWaalsContact O-CB 3.23Å; W441-R445 WeakPolarHBondContact O-CB 3.49Å; W441-R445 PolarHBondContact O-N 3.29Å; W441-Y574 HydrophobicContact CZ3-CE1 4.3Å; W441-L596 HydrophobicContact CH2-CD2 4.26Å; W441-E762 HydrophobicContact CZ2-CG 4.37Å; W441-E762 VanDerWaalsContact NE1-CD 3.34Å; W441-E762 PolarHBondContact NE1-OE2 3.25Å; W441-P763 HydrophobicContact CB-CB 4.3Å; W441-P763 HydrophobicContact CD2-CB 4.29Å; W441-P763 HydrophobicContact CD2-CG 3.78Å; W441-P763 HydrophobicContact CE3-CB 4.43Å; W441-P763 HydrophobicContact CE3-CG 3.69Å; W441-P763 HydrophobicContact CG-CB 4.22Å; W441-P763 HydrophobicContact CG-CG 4.22Å; W441-P763 HydrophobicContact CH2-CG 4.49Å; W441-P763 HydrophobicContact CZ3-CG 4.07Å
442	N	93.8	Very high	95.4	Very high	104 Å²	104	61.4 Å²	61.4	56%	0.556	31%	0.307	S	S	*	.	H	α-helix	trans	-61.1	-35.2	-179.5	-66.6	-25.1	0	0	0	112.3	N440 T446 N764	N440-N442 PolarHBondContact O-N 3.01Å; N442-T446 PolarHBondContact O-OG1 3.04Å; N442-N764 PolarHBondContact OD1-ND2 2.89Å
443	R	94.7	Very high	95.4	Very high	141 Å²	141	56.9 Å²	56.9	53%	0.532	28%	0.284	S	S	.	.	H	α-helix	trans	-72.5	-50.7	174.7	-171.3	-171.2	76.5	172.5	0.7	110.9	N440 W441 R445 T446 S447 E572	N440-R443 WeakPolarHBondContact O-CB 3.43Å; N440-R443 PolarHBondContact O-N 3.31Å; N440-R443 VanDerWaalsContact O-N 3.08Å; W441-R443 PolarHBondContact O-N 3.18Å; R443-R445 VanDerWaalsContact C-N 3.29Å; R443-R445 PolarHBondContact O-N 2.89Å; R443-T446 PolarHBondContact O-N 2.93Å; R443-T446 VanDerWaalsContact O-N 3.16Å; R443-T446 PolarHBondContact O-OG1 3.44Å; R443-T446 VanDerWaalsContact O-OG1 3.07Å; R443-S447 WeakPolarHBondContact O-CB 3.11Å; R443-S447 PolarHBondContact O-N 3.38Å; R443-S447 PolarHBondContact O-OG 3.49Å; R443-E572 IonicContact CZ-OE1 3.68Å; R443-E572 IonicContact NE-OE1 2.63Å; R443-E572 PolarHBondContact NE-OE1 3.06Å; R443-E572 IonicContact NH2-OE1 3.02Å; R443-E572 PolarHBondContact NH2-OE1 3.23Å
444	I	93.5	Very high	95.5	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-40.5	-177.6	-66.6	166.8	0	0	0	110.8	L437 N440 W441 T446 S447 R449 Y574	L437-I444 HydrophobicContact CD1-CD1 3.86Å; N440-I444 HydrophobicContact CB-CD1 3.78Å; N440-I444 HydrophobicContact CB-CG1 4.22Å; N440-I444 WeakPolarHBondContact O-CG1 3.47Å; N440-I444 PolarHBondContact O-N 2.93Å; W441-I444 PolarHBondContact O-N 2.81Å; I444-T446 PolarHBondContact O-N 3.48Å; I444-S447 WeakPolarHBondContact CA-OG 3.38Å; I444-S447 PolarHBondContact O-N 2.88Å; I444-S447 PolarHBondContact O-OG 2.94Å; I444-R449 WeakPolarHBondContact O-CD 3.47Å; I444-Y574 HydrophobicContact CG2-CD1 4.43Å; I444-Y574 HydrophobicContact CG2-CE1 4.43Å
445	R	90.9	Very high	95.5	Very high	103 Å²	103	54 Å²	54	39%	0.389	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-27.2	-179.5	-170.4	-179.8	68.9	126.4	9.8	113.2	W441 R443 R449 E762	W441-R445 VanDerWaalsContact O-CB 3.23Å; W441-R445 WeakPolarHBondContact O-CB 3.49Å; W441-R445 PolarHBondContact O-N 3.29Å; R443-R445 VanDerWaalsContact C-N 3.29Å; R443-R445 PolarHBondContact O-N 2.89Å; R445-R449 PolarHBondContact O-NH1 2.94Å; R445-E762 IonicContact NH1-OE1 2.75Å
446	T	91.6	Very high	95.4	Very high	92 Å²	92	46.4 Å²	46.4	56%	0.564	23%	0.234	S	C	*	.	H	α-helix	trans	-99.8	-16.8	-178.8	52.8	0	0	0	0	113.2	N442 R443 I444	N442-T446 PolarHBondContact O-OG1 3.04Å; R443-T446 PolarHBondContact O-N 2.93Å; R443-T446 VanDerWaalsContact O-N 3.16Å; R443-T446 PolarHBondContact O-OG1 3.44Å; R443-T446 VanDerWaalsContact O-OG1 3.07Å; I444-T446 PolarHBondContact O-N 3.48Å
447	S	93.8	Very high	95.3	Very high	31 Å²	31	42 Å²	42	22%	0.217	21%	0.214	C	C	.	.	S	Bend	trans	-83.3	168.5	177.5	69.6	0	0	0	0	112.3	R443 I444 R449 E572	R443-S447 WeakPolarHBondContact O-CB 3.11Å; R443-S447 PolarHBondContact O-N 3.38Å; R443-S447 PolarHBondContact O-OG 3.49Å; I444-S447 WeakPolarHBondContact CA-OG 3.38Å; I444-S447 PolarHBondContact O-N 2.88Å; I444-S447 PolarHBondContact O-OG 2.94Å; S447-R449 PolarHBondContact O-N 3.22Å; S447-R449 PolarHBondContact O-NH1 3.34Å; S447-E572 PolarHBondContact OG-OE2 2.82Å
448	R	94.5	Very high	95.1	Very high	170 Å²	170	41.8 Å²	41.8	64%	0.642	21%	0.213	S	C	*	.			trans	-70.2	122.8	169.4	-169.4	179.4	-176.5	-166.6	-0.2	110	N488	R448-N488 CarbonylContact C-O 3.41Å; R448-N488 VanDerWaalsContact CA-O 3.25Å; R448-N488 WeakPolarHBondContact CA-O 3.26Å; R448-N488 WeakPolarHBondContact CG-O 3.29Å
449	R	96.1	Very high	94.8	Very high	19 Å²	19	41.8 Å²	41.8	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.3	-173.2	71.5	-151.6	-175.5	-89.6	-2.4	112.8	I444 R445 S447 D486 N488 V489 N490 E572 Y574	I444-R449 WeakPolarHBondContact O-CD 3.47Å; R445-R449 PolarHBondContact O-NH1 2.94Å; S447-R449 PolarHBondContact O-N 3.22Å; S447-R449 PolarHBondContact O-NH1 3.34Å; R449-D486 IonicContact CZ-OD2 3.34Å; R449-D486 VanDerWaalsContact CZ-OD2 3.27Å; R449-D486 IonicContact NH1-OD2 3.66Å; R449-D486 PolarHBondContact NH1-OD2 2.79Å; R449-D486 IonicContact NH2-OD2 2.68Å; R449-D486 PolarHBondContact NH2-OD2 2.85Å; R449-N488 PolarHBondContact N-O 2.7Å; R449-V489 HydrophobicContact CG-CG2 4.21Å; R449-V489 VanDerWaalsContact NH2-CG2 3.31Å; R449-V489 CarbonylContact O-C 3.47Å; R449-V489 WeakPolarHBondContact O-CA 3.46Å; R449-N490 PolarHBondContact O-N 3.45Å; R449-E572 CarbonylContact C-O 3.59Å; R449-E572 VanDerWaalsContact CA-O 3.24Å; R449-E572 WeakPolarHBondContact CA-O 3.45Å; R449-E572 HydrophobicContact CB-CB 4.4Å; R449-Y574 HydrophobicContact CG-CE1 4.36Å
450	T	97.5	Very high	94.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.4	175.7	-57	0	0	0	0	110.2	N490 I492 I568 E572 A573 Y574	T450-N490 CarbonylContact C-O 3.55Å; T450-N490 VanDerWaalsContact CA-O 3.31Å; T450-N490 WeakPolarHBondContact CA-O 3.49Å; T450-N490 HydrophobicContact CG2-CB 4.27Å; T450-I492 HydrophobicContact CG2-CD1 3.73Å; T450-I492 HydrophobicContact CG2-CG1 3.8Å; T450-I568 HydrophobicContact CG2-CG2 4.15Å; T450-E572 PolarHBondContact N-O 3.05Å; T450-A573 WeakPolarHBondContact O-CA 3.36Å; T450-A573 WeakPolarHBondContact O-CB 3.45Å; T450-Y574 PolarHBondContact O-N 3.31Å
451	I	97.9	Very high	94	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.8	175.2	-53.6	179.6	0	0	0	108.4	H453 D483 V489 N490 I492 Y574 V576	I451-H453 WeakPolarHBondContact CG2-NE2 3.44Å; I451-D483 HydrophobicContact CD1-CB 4.4Å; I451-V489 HydrophobicContact CB-CG1 4.43Å; I451-V489 HydrophobicContact CD1-CG1 3.74Å; I451-V489 HydrophobicContact CD1-CG2 4.03Å; I451-V489 HydrophobicContact CG1-CG1 3.89Å; I451-N490 PolarHBondContact N-O 2.94Å; I451-I492 PolarHBondContact O-N 3.44Å; I451-Y574 WeakPolarHBondContact CD1-OH 3.49Å; I451-Y574 HydrophobicContact CG1-CE1 4.03Å; I451-Y574 HydrophobicContact CG1-CE2 4.2Å; I451-Y574 WeakPolarHBondContact CG1-OH 3.34Å; I451-Y574 HydrophobicContact CG2-CE2 4.09Å; I451-V576 HydrophobicContact CG2-CB 4.31Å; I451-V576 HydrophobicContact CG2-CG2 3.67Å
452	I	98.3	Very high	93.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	104.4	175.9	-50.3	-179.6	0	0	0	108.4	I454 I492 I494 I564 I568 Y574 I575 V576 L591 I593	I452-I454 HydrophobicContact CG2-CG1 4.17Å; I452-I492 CarbonylContact C-O 3.53Å; I452-I492 WeakPolarHBondContact CA-O 3.29Å; I452-I492 HydrophobicContact CG1-CB 4.24Å; I452-I492 HydrophobicContact CG1-CD1 4.37Å; I452-I492 HydrophobicContact CG2-CB 4.34Å; I452-I492 HydrophobicContact CG2-CG2 4.27Å; I452-I494 HydrophobicContact CG2-CD1 4.38Å; I452-I494 HydrophobicContact CG2-CG1 4.2Å; I452-I564 HydrophobicContact CD1-CG2 3.69Å; I452-I568 HydrophobicContact CD1-CG2 4.11Å; I452-Y574 PolarHBondContact N-O 3.18Å; I452-I575 HydrophobicContact CB-CG1 4.29Å; I452-I575 WeakPolarHBondContact O-CA 3.28Å; I452-V576 PolarHBondContact O-N 3.19Å; I452-L591 HydrophobicContact CD1-CD1 4.25Å; I452-I593 HydrophobicContact CD1-CD1 3.44Å; I452-I593 VanDerWaalsContact CD1-CD1 3.44Å; I452-I593 HydrophobicContact CG1-CD1 4.49Å
453	H	98.1	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.4	174.3	-65.6	-82.5	0	0	0	110.4	I451 R480 D483 I492 Y493 I494 V576	I451-H453 WeakPolarHBondContact CG2-NE2 3.44Å; H453-R480 HydrophobicContact CB-CB 4.42Å; H453-D483 IonicContact CE1-OD2 2.76Å; H453-D483 PolarHBondContact CE1-OD2 3.28Å; H453-D483 IonicContact NE2-OD2 3.19Å; H453-D483 PolarHBondContact NE2-OD2 2.81Å; H453-I492 PolarHBondContact N-O 2.89Å; H453-Y493 HydrophobicContact CB-CD2 4.06Å; H453-I494 PolarHBondContact O-N 3.31Å; H453-V576 WeakPolarHBondContact CA-O 3.29Å
454	I	97.3	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	94.5	171.3	-48.9	-178.1	0	0	0	106.3	I452 S456 I494 L550 L554 I575 V576 S577 G578 V587	I452-I454 HydrophobicContact CG2-CG1 4.17Å; I454-S456 PolarHBondContact O-N 2.75Å; I454-I494 HydrophobicContact CG1-CG1 3.92Å; I454-L550 HydrophobicContact CG2-CB 4.36Å; I454-L550 HydrophobicContact CG2-CD2 4.19Å; I454-L550 HydrophobicContact CG2-CG 4.19Å; I454-L554 HydrophobicContact CD1-CD2 3.95Å; I454-I575 HydrophobicContact CD1-CD1 4.29Å; I454-I575 HydrophobicContact CD1-CG1 4.42Å; I454-I575 HydrophobicContact CD1-CG2 3.67Å; I454-I575 HydrophobicContact CG1-CG2 3.96Å; I454-V576 PolarHBondContact N-O 2.91Å; I454-S577 CarbonylContact O-C 3.54Å; I454-S577 VanDerWaalsContact O-C 3.24Å; I454-S577 WeakPolarHBondContact O-CA 3.21Å; I454-S577 PolarHBondContact O-OG 3.12Å; I454-G578 PolarHBondContact O-N 3.18Å; I454-V587 HydrophobicContact CD1-CG1 4.13Å
455	P	95.8	Very high	92.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	52.6	175.9	33.8	-38.8	0	0	0	111.9	Q474 Y493 I494 L550	P455-Q474 WeakPolarHBondContact CB-O 3.49Å; P455-Q474 WeakPolarHBondContact CG-O 3.47Å; P455-Q474 WeakPolarHBondContact O-CB 3.43Å; P455-Y493 HydrophobicContact CG-CE1 4.42Å; P455-Y493 HydrophobicContact CG-CE2 4.09Å; P455-I494 VanDerWaalsContact CD-O 3.29Å; P455-I494 WeakPolarHBondContact CD-O 3.41Å; P455-L550 HydrophobicContact CG-CD2 3.75Å
456	S	94.4	Very high	92.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.9	177.4	-166.9	0	0	0	0	109.8	I454 G458 C549 L550 A551 G578 L579	I454-S456 PolarHBondContact O-N 2.75Å; S456-G458 PolarHBondContact O-N 3.42Å; S456-C549 WeakPolarHBondContact OG-CB 3.45Å; S456-L550 PolarHBondContact OG-N 2.91Å; S456-A551 PolarHBondContact OG-N 2.84Å; S456-G578 WeakPolarHBondContact O-CA 3.48Å; S456-L579 PolarHBondContact O-N 3.14Å
457	L	93	Very high	91.8	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	85.5	169.8	-68.6	178.2	0	0	0	108.7	Y459 F470 Q473 Q474 C549	L457-Y459 HydrophobicContact CB-CD2 3.94Å; L457-Y459 HydrophobicContact CB-CE2 3.89Å; L457-Y459 HydrophobicContact CD1-CE2 4.39Å; L457-Y459 HydrophobicContact CD2-CE2 3.98Å; L457-Y459 HydrophobicContact CG-CE2 4.3Å; L457-Y459 PolarHBondContact O-N 3.27Å; L457-F470 HydrophobicContact CB-CE2 3.66Å; L457-F470 HydrophobicContact CB-CZ 3.69Å; L457-F470 HydrophobicContact CD1-CE2 4.01Å; L457-F470 WeakPolarHBondContact O-CZ 3.41Å; L457-Q473 HydrophobicContact CD1-CB 3.8Å; L457-Q474 HydrophobicContact CB-CG 3.95Å; L457-Q474 HydrophobicContact CD1-CG 3.83Å; L457-Q474 HydrophobicContact CG-CG 3.77Å; L457-Q474 VanDerWaalsContact N-OE1 3.08Å; L457-C549 WeakPolarHBondContact O-CB 3.39Å
458	G	91.5	Very high	91.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.			trans	-67	18.8	-172.8	0	0	0	0	0	118	S456 L579 H581 H604	S456-G458 PolarHBondContact O-N 3.42Å; G458-L579 WeakPolarHBondContact CA-O 3.5Å; G458-L579 PolarHBondContact N-O 3.19Å; G458-H581 PolarHBondContact O-CD2 2.98Å; G458-H604 PolarHBondContact O-CE1 3.25Å; G458-H604 PolarHBondContact O-NE2 3Å
459	Y	90.3	Very high	91	Very high	34 Å²	34	33.9 Å²	33.9	13%	0.133	18%	0.183	C	C	.	.			trans	-60.2	161.2	-174.6	-58.1	-67.2	0	0	0	113.9	L457 V463 R464 I467 L579 F661	L457-Y459 HydrophobicContact CB-CD2 3.94Å; L457-Y459 HydrophobicContact CB-CE2 3.89Å; L457-Y459 HydrophobicContact CD1-CE2 4.39Å; L457-Y459 HydrophobicContact CD2-CE2 3.98Å; L457-Y459 HydrophobicContact CG-CE2 4.3Å; L457-Y459 PolarHBondContact O-N 3.27Å; Y459-V463 HydrophobicContact CG-CG1 4.13Å; Y459-R464 VanDerWaalsContact O-CD 3.3Å; Y459-R464 WeakPolarHBondContact O-CD 3.44Å; Y459-R464 PolarHBondContact O-NE 3.01Å; Y459-I467 HydrophobicContact CD2-CD1 4.01Å; Y459-I467 HydrophobicContact CE2-CD1 4.42Å; Y459-L579 HydrophobicContact CD1-CD2 3.43Å; Y459-L579 VanDerWaalsContact CD1-CD2 3.43Å; Y459-L579 HydrophobicContact CE1-CD2 3.45Å; Y459-L579 VanDerWaalsContact CE1-CD2 3.45Å; Y459-L579 HydrophobicContact CG-CD2 4.07Å; Y459-F661 HydrophobicContact CD2-CE1 4.31Å; Y459-F661 HydrophobicContact CE1-CD1 4.14Å; Y459-F661 HydrophobicContact CE2-CD1 4.22Å; Y459-F661 HydrophobicContact CE2-CE1 4.01Å; Y459-F661 HydrophobicContact CE2-CZ 4.23Å; Y459-F661 AromaticContact CZ-CD1 3.93Å
460	S	87.5	Confident	90.7	Very high	58 Å²	58	33.1 Å²	33.1	41%	0.406	18%	0.18	S	C	.	.			trans	-58	152.3	173.5	72.6	0	0	0	0	111.4	V463 R464	S460-V463 PolarHBondContact O-N 3.29Å; S460-V463 WeakPolarHBondContact OG-CG2 3.42Å; S460-R464 WeakPolarHBondContact O-CG 3.36Å; S460-R464 PolarHBondContact O-N 3.44Å
461	Q	87.3	Confident	90.4	Very high	120 Å²	120	34.2 Å²	34.2	56%	0.561	19%	0.185	S	C	*	.	H	α-helix	trans	-55.2	-45.5	-179.3	177.7	-178.3	-8.6	0	0	113.1	V463 R464 E465	Q461-V463 VanDerWaalsContact C-N 3.3Å; Q461-V463 PolarHBondContact O-N 2.59Å; Q461-R464 PolarHBondContact O-N 3.3Å; Q461-E465 HydrophobicContact CG-CG 4.33Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.37Å; Q461-E465 PolarHBondContact NE2-OE1 3.09Å; Q461-E465 WeakPolarHBondContact O-CG 3.46Å; Q461-E465 PolarHBondContact O-N 3.34Å
462	P	85.2	Confident	90.1	Very high	73 Å²	73	34.1 Å²	34.1	47%	0.474	19%	0.185	S	C	.	.	H	α-helix	trans	-58.6	-40.7	177.8	-24.8	35.1	0	0	0	112.5	H466	P462-H466 PolarHBondContact O-CE1 2.92Å; P462-H466 PolarHBondContact O-ND1 2.9Å
463	V	86.3	Confident	89.7	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-47.5	177.6	174.3	0	0	0	0	110.2	Y459 S460 Q461 E465 H466 I467 F661	Y459-V463 HydrophobicContact CG-CG1 4.13Å; S460-V463 PolarHBondContact O-N 3.29Å; S460-V463 WeakPolarHBondContact OG-CG2 3.42Å; Q461-V463 VanDerWaalsContact C-N 3.3Å; Q461-V463 PolarHBondContact O-N 2.59Å; V463-E465 VanDerWaalsContact C-N 3.31Å; V463-E465 PolarHBondContact O-N 2.79Å; V463-H466 PolarHBondContact O-N 2.74Å; V463-H466 VanDerWaalsContact O-N 3.15Å; V463-I467 HydrophobicContact CG1-CD1 4.37Å; V463-I467 WeakPolarHBondContact O-CG1 3.39Å; V463-F661 HydrophobicContact CG1-CD1 4.17Å; V463-F661 HydrophobicContact CG1-CE1 3.75Å
464	R	89.4	Confident	89.4	Confident	27 Å²	27	34.9 Å²	34.9	10%	0.102	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-35.7	-178.5	-68	-173.1	-71.6	138.7	7.6	113.9	Y459 S460 Q461 H466 I467 F470 H547 M548	Y459-R464 VanDerWaalsContact O-CD 3.3Å; Y459-R464 WeakPolarHBondContact O-CD 3.44Å; Y459-R464 PolarHBondContact O-NE 3.01Å; S460-R464 WeakPolarHBondContact O-CG 3.36Å; S460-R464 PolarHBondContact O-N 3.44Å; Q461-R464 PolarHBondContact O-N 3.3Å; R464-H466 PolarHBondContact O-N 3.07Å; R464-I467 PolarHBondContact O-N 3.12Å; R464-F470 HydrophobicContact CB-CE2 4.4Å; R464-F470 HydrophobicContact CB-CZ 4.41Å; R464-F470 VanDerWaalsContact CD-CZ 3.44Å; R464-F470 HydrophobicContact CG-CE1 4.37Å; R464-F470 HydrophobicContact CG-CE2 3.84Å; R464-F470 HydrophobicContact CG-CZ 3.72Å; R464-H547 HydrophobicContact CB-CB 4.18Å; R464-H547 PolarHBondContact NH1-O 3.45Å; R464-M548 VanDerWaalsContact NH1-CA 3.28Å
465	E	86.1	Confident	89.1	Confident	105 Å²	105	34.9 Å²	34.9	49%	0.491	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-24.2	179	-76.7	175.2	-177.9	0	0	113.6	Q461 V463	Q461-E465 HydrophobicContact CG-CG 4.33Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.37Å; Q461-E465 PolarHBondContact NE2-OE1 3.09Å; Q461-E465 WeakPolarHBondContact O-CG 3.46Å; Q461-E465 PolarHBondContact O-N 3.34Å; V463-E465 VanDerWaalsContact C-N 3.31Å; V463-E465 PolarHBondContact O-N 2.79Å
466	H	83.5	Confident	88.9	Confident	115 Å²	115	35 Å²	35	53%	0.532	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.9	179.7	-62.1	88.4	0	0	0	113.4	P462 V463 R464 A468	P462-H466 PolarHBondContact O-CE1 2.92Å; P462-H466 PolarHBondContact O-ND1 2.9Å; V463-H466 PolarHBondContact O-N 2.74Å; V463-H466 VanDerWaalsContact O-N 3.15Å; R464-H466 PolarHBondContact O-N 3.07Å; H466-A468 PolarHBondContact O-N 3.43Å
467	I	84.6	Confident	88.8	Confident	17 Å²	17	35.5 Å²	35.5	9%	0.087	19%	0.192	C	C	.	.			trans	-85.8	111.9	179.1	-55.5	172.3	0	0	0	109.3	Y459 V463 R464 F470 Q473 F661	Y459-I467 HydrophobicContact CD2-CD1 4.01Å; Y459-I467 HydrophobicContact CE2-CD1 4.42Å; V463-I467 HydrophobicContact CG1-CD1 4.37Å; V463-I467 WeakPolarHBondContact O-CG1 3.39Å; R464-I467 PolarHBondContact O-N 3.12Å; I467-F470 HydrophobicContact CB-CB 4.42Å; I467-F470 HydrophobicContact CB-CD2 3.88Å; I467-F470 HydrophobicContact CD1-CD2 3.63Å; I467-F470 HydrophobicContact CD1-CE2 3.68Å; I467-F470 HydrophobicContact CG1-CD2 4.34Å; I467-F470 HydrophobicContact CG2-CB 4.37Å; I467-F470 HydrophobicContact CG2-CD2 3.89Å; I467-Q473 HydrophobicContact CG2-CG 4.03Å; I467-F661 HydrophobicContact CD1-CE1 3.61Å; I467-F661 HydrophobicContact CD1-CZ 3.41Å; I467-F661 VanDerWaalsContact CD1-CZ 3.41Å; I467-F661 HydrophobicContact CG1-CE1 4.01Å; I467-F661 HydrophobicContact CG1-CZ 3.71Å
468	A	83.4	Confident	88.8	Confident	71 Å²	71	34.7 Å²	34.7	59%	0.587	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	136.3	171.5	0	0	0	0	0	111.1	H466 F470	H466-A468 PolarHBondContact O-N 3.43Å; A468-F470 VanDerWaalsContact C-N 3.31Å; A468-F470 PolarHBondContact O-N 3.43Å
469	D	86.9	Confident	88.8	Confident	38 Å²	38	35 Å²	35	20%	0.203	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	46.6	-179.2	-49.2	-47.3	0	0	0	113.2	N471 T472 Q473 K947 H949 K950	D469-N471 PolarHBondContact O-N 3.14Å; D469-N471 VanDerWaalsContact O-N 3.13Å; D469-T472 WeakPolarHBondContact O-CA 3.41Å; D469-T472 WeakPolarHBondContact O-CB 3.49Å; D469-T472 PolarHBondContact O-N 2.98Å; D469-Q473 PolarHBondContact O-N 2.9Å; D469-K947 IonicContact OD1-NZ 3.14Å; D469-K947 PolarHBondContact OD1-NZ 2.79Å; D469-H949 IonicContact OD2-CE1 3.8Å; D469-H949 PolarHBondContact OD2-CE1 3.42Å; D469-H949 VanDerWaalsContact OD2-CE1 3.25Å; D469-H949 IonicContact OD2-NE2 2.79Å; D469-H949 PolarHBondContact OD2-NE2 3.06Å; D469-H949 VanDerWaalsContact OD2-NE2 3.13Å; D469-K950 IonicContact OD2-NZ 3.84Å; D469-K950 PolarHBondContact OD2-NZ 3.38Å
470	F	91.1	Very high	89	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-50.9	-40.7	-175.7	-174.8	-114.3	0	0	0	113.8	L457 R464 I467 A468 T472 Q473 Q474 H547 M548	L457-F470 HydrophobicContact CB-CE2 3.66Å; L457-F470 HydrophobicContact CB-CZ 3.69Å; L457-F470 HydrophobicContact CD1-CE2 4.01Å; L457-F470 WeakPolarHBondContact O-CZ 3.41Å; R464-F470 HydrophobicContact CB-CE2 4.4Å; R464-F470 HydrophobicContact CB-CZ 4.41Å; R464-F470 VanDerWaalsContact CD-CZ 3.44Å; R464-F470 HydrophobicContact CG-CE1 4.37Å; R464-F470 HydrophobicContact CG-CE2 3.84Å; R464-F470 HydrophobicContact CG-CZ 3.72Å; I467-F470 HydrophobicContact CB-CB 4.42Å; I467-F470 HydrophobicContact CB-CD2 3.88Å; I467-F470 HydrophobicContact CD1-CD2 3.63Å; I467-F470 HydrophobicContact CD1-CE2 3.68Å; I467-F470 HydrophobicContact CG1-CD2 4.34Å; I467-F470 HydrophobicContact CG2-CB 4.37Å; I467-F470 HydrophobicContact CG2-CD2 3.89Å; A468-F470 VanDerWaalsContact C-N 3.31Å; A468-F470 PolarHBondContact O-N 3.43Å; F470-T472 VanDerWaalsContact C-N 3.31Å; F470-T472 PolarHBondContact O-N 3.09Å; F470-Q473 WeakPolarHBondContact O-CB 3.46Å; F470-Q473 PolarHBondContact O-N 3.17Å; F470-Q474 HydrophobicContact CE1-CG 4.32Å; F470-Q474 HydrophobicContact CZ-CG 4.28Å; F470-Q474 WeakPolarHBondContact O-CG 3.47Å; F470-Q474 PolarHBondContact O-N 3.43Å; F470-Q474 VanDerWaalsContact O-N 3.08Å; F470-H547 HydrophobicContact CB-CB 4.49Å; F470-H547 HydrophobicContact CD1-CB 4.19Å; F470-H547 HydrophobicContact CG-CB 4.44Å; F470-M548 VanDerWaalsContact CE1-O 3.31Å; F470-M548 WeakPolarHBondContact CE1-O 3Å
471	N	90.6	Very high	89.3	Confident	28 Å²	28	30.7 Å²	30.7	15%	0.15	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-38.5	175.7	-71.2	-22.9	0	0	0	112.1	D469 Q473 Q474 N475 S496 H497	D469-N471 PolarHBondContact O-N 3.14Å; D469-N471 VanDerWaalsContact O-N 3.13Å; N471-Q473 VanDerWaalsContact C-N 3.33Å; N471-Q474 PolarHBondContact O-N 2.88Å; N471-N475 PolarHBondContact O-N 3.21Å; N471-S496 WeakPolarHBondContact O-CB 3.36Å; N471-S496 PolarHBondContact O-OG 3.06Å; N471-H497 PolarHBondContact O-CE1 3.09Å
472	T	90.7	Very high	89.7	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-68.4	-37.8	179.4	-46.8	0	0	0	0	110.2	D469 F470 Q474 N475 H497 Y943 E944	D469-T472 WeakPolarHBondContact O-CA 3.41Å; D469-T472 WeakPolarHBondContact O-CB 3.49Å; D469-T472 PolarHBondContact O-N 2.98Å; F470-T472 VanDerWaalsContact C-N 3.31Å; F470-T472 PolarHBondContact O-N 3.09Å; T472-Q474 VanDerWaalsContact C-N 3.29Å; T472-Q474 PolarHBondContact O-N 3.08Å; T472-N475 PolarHBondContact O-N 3.47Å; T472-H497 PolarHBondContact N-CE1 3.02Å; T472-Y943 HydrophobicContact CG2-CD2 4.41Å; T472-E944 HydrophobicContact CG2-CG 4.09Å; T472-E944 PolarHBondContact OG1-OE1 2.68Å
473	Q	90	Very high	90.1	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-34.9	172.8	-63.9	-59.2	-46.9	0	0	112.8	L457 I467 D469 F470 N471 N475 T476	L457-Q473 HydrophobicContact CD1-CB 3.8Å; I467-Q473 HydrophobicContact CG2-CG 4.03Å; D469-Q473 PolarHBondContact O-N 2.9Å; F470-Q473 WeakPolarHBondContact O-CB 3.46Å; F470-Q473 PolarHBondContact O-N 3.17Å; N471-Q473 VanDerWaalsContact C-N 3.33Å; Q473-N475 PolarHBondContact O-N 3.35Å; Q473-T476 PolarHBondContact O-OG1 3.3Å; Q473-T476 VanDerWaalsContact O-OG1 3.1Å
474	Q	92.3	Very high	90.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.3	173.5	-66.6	-173.1	120.7	0	0	113.3	P455 L457 F470 N471 T472 C549	P455-Q474 WeakPolarHBondContact CB-O 3.49Å; P455-Q474 WeakPolarHBondContact CG-O 3.47Å; P455-Q474 WeakPolarHBondContact O-CB 3.43Å; L457-Q474 HydrophobicContact CB-CG 3.95Å; L457-Q474 HydrophobicContact CD1-CG 3.83Å; L457-Q474 HydrophobicContact CG-CG 3.77Å; L457-Q474 VanDerWaalsContact N-OE1 3.08Å; F470-Q474 HydrophobicContact CE1-CG 4.32Å; F470-Q474 HydrophobicContact CZ-CG 4.28Å; F470-Q474 WeakPolarHBondContact O-CG 3.47Å; F470-Q474 PolarHBondContact O-N 3.43Å; F470-Q474 VanDerWaalsContact O-N 3.08Å; N471-Q474 PolarHBondContact O-N 2.88Å; T472-Q474 VanDerWaalsContact C-N 3.29Å; T472-Q474 PolarHBondContact O-N 3.08Å; Q474-C549 VanDerWaalsContact OE1-CA 3.29Å
475	N	92.3	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	8.7	-179.3	-143.5	37.5	0	0	0	114	N471 T472 Q473 Q477 Y493 C495 S496 Y943	N471-N475 PolarHBondContact O-N 3.21Å; T472-N475 PolarHBondContact O-N 3.47Å; Q473-N475 PolarHBondContact O-N 3.35Å; N475-Q477 VanDerWaalsContact C-N 3.26Å; N475-Q477 PolarHBondContact O-N 2.96Å; N475-Y493 WeakPolarHBondContact OD1-CE1 3.27Å; N475-Y493 PolarHBondContact OD1-OH 2.63Å; N475-C495 PolarHBondContact ND2-SG 3.05Å; N475-C495 VanDerWaalsContact ND2-SG 3.43Å; N475-C495 PolarHBondContact OD1-SG 3.39Å; N475-S496 WeakPolarHBondContact CB-OG 3.44Å; N475-Y943 PolarHBondContact ND2-O 3.26Å
476	T	91.4	Very high	90.6	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.025	13%	0.128	C	C	.	.	S	Bend	trans	-70.4	-25.1	-177.1	54	0	0	0	0	112.9	Q473 L478 D847 Y943	Q473-T476 PolarHBondContact O-OG1 3.3Å; Q473-T476 VanDerWaalsContact O-OG1 3.1Å; T476-L478 VanDerWaalsContact C-N 3.3Å; T476-L478 PolarHBondContact O-N 3.38Å; T476-D847 PolarHBondContact OG1-OD1 2.77Å; T476-Y943 HydrophobicContact CG2-CD1 4.47Å; T476-Y943 HydrophobicContact CG2-CE1 4.17Å; T476-Y943 HydrophobicContact CG2-CE2 4.41Å
477	Q	92.1	Very high	90.9	Very high	12 Å²	12	21 Å²	21	6%	0.056	13%	0.133	C	C	.	.			trans	-91.2	40.6	-171.2	-59.3	-176.2	-16.2	0	0	113.4	N475 G479 R480 Y845 D847 A850	N475-Q477 VanDerWaalsContact C-N 3.26Å; N475-Q477 PolarHBondContact O-N 2.96Å; Q477-G479 PolarHBondContact O-N 3.49Å; Q477-R480 HydrophobicContact CB-CG 4.35Å; Q477-R480 WeakPolarHBondContact O-CB 3.32Å; Q477-R480 WeakPolarHBondContact O-CD 3.5Å; Q477-R480 WeakPolarHBondContact O-CG 3.48Å; Q477-R480 PolarHBondContact O-N 3.04Å; Q477-R480 VanDerWaalsContact OE1-NE 3.17Å; Q477-Y845 PolarHBondContact NE2-O 3.35Å; Q477-D847 WeakPolarHBondContact CG-OD1 3.41Å; Q477-D847 PolarHBondContact NE2-OD1 3.39Å; Q477-A850 HydrophobicContact CB-CB 3.97Å; Q477-A850 HydrophobicContact CG-CB 4.27Å
478	L	91.6	Very high	91.3	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.3	-19.1	179.8	-79.6	161.5	0	0	0	113.3	T476 R480 L481 Y493 Y507 I941 Y943	T476-L478 VanDerWaalsContact C-N 3.3Å; T476-L478 PolarHBondContact O-N 3.38Å; L478-R480 PolarHBondContact O-N 3.44Å; L478-R480 VanDerWaalsContact O-N 3.1Å; L478-L481 HydrophobicContact CD2-CD1 4.16Å; L478-L481 WeakPolarHBondContact O-CB 3.12Å; L478-L481 VanDerWaalsContact O-CG 3.29Å; L478-L481 WeakPolarHBondContact O-CG 3.27Å; L478-L481 PolarHBondContact O-N 3.41Å; L478-Y493 HydrophobicContact CD2-CD1 4.24Å; L478-Y493 HydrophobicContact CD2-CE1 3.61Å; L478-Y493 HydrophobicContact CD2-CE2 4.35Å; L478-Y507 HydrophobicContact CB-CE1 4.17Å; L478-Y507 HydrophobicContact CD1-CE1 4.42Å; L478-Y507 HydrophobicContact CD1-CE2 3.84Å; L478-Y507 WeakPolarHBondContact CD1-OH 3.48Å; L478-I941 HydrophobicContact CB-CG2 4.37Å; L478-Y943 HydrophobicContact CD1-CD1 4.49Å
479	G	92.1	Very high	91.9	Very high	5 Å²	5	20.3 Å²	20.3	5%	0.052	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-60.3	-16.9	173	0	0	0	0	0	114.6	Q477 L481 C482 A850	Q477-G479 PolarHBondContact O-N 3.49Å; G479-L481 PolarHBondContact O-N 2.69Å; G479-L481 VanDerWaalsContact O-N 3.14Å; G479-C482 WeakPolarHBondContact O-CB 3.31Å; G479-C482 PolarHBondContact O-N 2.74Å; G479-C482 PolarHBondContact O-SG 2.59Å; G479-A850 VanDerWaalsContact CA-O 3.3Å; G479-A850 WeakPolarHBondContact CA-O 3.32Å
480	R	95.1	Very high	92.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-58.8	-20.7	169.7	-70.7	170	161.2	-157.4	-12.6	114.2	H453 Q477 L478 C482 D483 Y493 S577 Y845	H453-R480 HydrophobicContact CB-CB 4.42Å; Q477-R480 HydrophobicContact CB-CG 4.35Å; Q477-R480 WeakPolarHBondContact O-CB 3.32Å; Q477-R480 WeakPolarHBondContact O-CD 3.5Å; Q477-R480 WeakPolarHBondContact O-CG 3.48Å; Q477-R480 PolarHBondContact O-N 3.04Å; Q477-R480 VanDerWaalsContact OE1-NE 3.17Å; L478-R480 PolarHBondContact O-N 3.44Å; L478-R480 VanDerWaalsContact O-N 3.1Å; R480-C482 PolarHBondContact O-N 3.4Å; R480-C482 VanDerWaalsContact O-N 3.16Å; R480-D483 PolarHBondContact O-N 2.79Å; R480-Y493 HydrophobicContact CB-CD2 4.45Å; R480-Y493 HydrophobicContact CB-CE2 4.35Å; R480-S577 PolarHBondContact NH2-O 2.83Å; R480-Y845 HydrophobicContact CG-CD1 4.37Å; R480-Y845 HydrophobicContact CG-CE1 3.76Å; R480-Y845 HydrophobicContact CG-CE2 4.46Å
481	L	94.3	Very high	92.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-59.9	-21.9	172.5	-67.3	171.4	0	0	0	112.4	L478 G479 D483 I484 V491 Y493 Y507 L511 I532 I534	L478-L481 HydrophobicContact CD2-CD1 4.16Å; L478-L481 WeakPolarHBondContact O-CB 3.12Å; L478-L481 VanDerWaalsContact O-CG 3.29Å; L478-L481 WeakPolarHBondContact O-CG 3.27Å; L478-L481 PolarHBondContact O-N 3.41Å; G479-L481 PolarHBondContact O-N 2.69Å; G479-L481 VanDerWaalsContact O-N 3.14Å; L481-D483 VanDerWaalsContact C-N 3.28Å; L481-D483 PolarHBondContact O-N 3.43Å; L481-I484 WeakPolarHBondContact O-CB 3.44Å; L481-I484 VanDerWaalsContact O-CG2 3.29Å; L481-I484 WeakPolarHBondContact O-CG2 3.35Å; L481-I484 PolarHBondContact O-N 3.43Å; L481-V491 HydrophobicContact CD2-CG1 4.19Å; L481-Y493 HydrophobicContact CD2-CD2 4.3Å; L481-Y493 HydrophobicContact CD2-CG 4.07Å; L481-Y507 HydrophobicContact CD1-CD1 4.33Å; L481-L511 HydrophobicContact CB-CD2 4.36Å; L481-L511 HydrophobicContact CD1-CD1 4.45Å; L481-I532 HydrophobicContact CD2-CG2 3.93Å; L481-I534 HydrophobicContact CD2-CG1 4.43Å
482	C	93.9	Very high	92.9	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.02	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-76.5	-7.9	-176.1	-56.9	0	0	0	0	114.2	G479 R480 I484 L485 Q853 Y857	G479-C482 WeakPolarHBondContact O-CB 3.31Å; G479-C482 PolarHBondContact O-N 2.74Å; G479-C482 PolarHBondContact O-SG 2.59Å; R480-C482 PolarHBondContact O-N 3.4Å; R480-C482 VanDerWaalsContact O-N 3.16Å; C482-I484 PolarHBondContact O-N 3.02Å; C482-L485 VanDerWaalsContact O-CB 3.28Å; C482-L485 WeakPolarHBondContact O-CB 3.39Å; C482-L485 PolarHBondContact O-N 3.22Å; C482-Q853 HydrophobicContact CB-CB 4.1Å; C482-Y857 HydrophobicContact CB-CD2 3.94Å; C482-Y857 HydrophobicContact CB-CG 4Å
483	D	93.8	Very high	93.2	Very high	24 Å²	24	18.1 Å²	18.1	13%	0.128	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-57.2	-16	169.1	-80.9	15	0	0	0	112.1	I451 H453 R480 L481 L485 D486 V491	I451-D483 HydrophobicContact CD1-CB 4.4Å; H453-D483 IonicContact CE1-OD2 2.76Å; H453-D483 PolarHBondContact CE1-OD2 3.28Å; H453-D483 IonicContact NE2-OD2 3.19Å; H453-D483 PolarHBondContact NE2-OD2 2.81Å; R480-D483 PolarHBondContact O-N 2.79Å; L481-D483 VanDerWaalsContact C-N 3.28Å; L481-D483 PolarHBondContact O-N 3.43Å; D483-L485 PolarHBondContact O-N 2.98Å; D483-L485 VanDerWaalsContact O-N 3.16Å; D483-D486 PolarHBondContact O-N 2.99Å; D483-V491 HydrophobicContact CB-CG2 4.15Å
484	I	92.8	Very high	93.6	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.026	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-59.8	-16	170.3	-158.7	68.7	0	0	0	114.4	L481 C482 D486 V489 V491 L511 L528 R531 I532 Y857	L481-I484 WeakPolarHBondContact O-CB 3.44Å; L481-I484 VanDerWaalsContact O-CG2 3.29Å; L481-I484 WeakPolarHBondContact O-CG2 3.35Å; L481-I484 PolarHBondContact O-N 3.43Å; C482-I484 PolarHBondContact O-N 3.02Å; I484-D486 CarbonylContact O-C 3.53Å; I484-D486 PolarHBondContact O-N 3.34Å; I484-V489 WeakPolarHBondContact CD1-O 3.35Å; I484-V491 HydrophobicContact CB-CG2 4.18Å; I484-V491 HydrophobicContact CD1-CG2 4.2Å; I484-L511 HydrophobicContact CG2-CD2 4.39Å; I484-L528 HydrophobicContact CG1-CD1 4.38Å; I484-L528 HydrophobicContact CG1-CD2 4.26Å; I484-L528 HydrophobicContact CG2-CD1 4.4Å; I484-R531 HydrophobicContact CD1-CB 3.52Å; I484-R531 VanDerWaalsContact CD1-NH2 3.34Å; I484-R531 PolarHBondContact O-NH2 3.47Å; I484-I532 HydrophobicContact CB-CD1 4.17Å; I484-I532 HydrophobicContact CB-CG1 4.37Å; I484-I532 HydrophobicContact CD1-CD1 4.39Å; I484-I532 HydrophobicContact CD1-CG1 3.8Å; I484-I532 HydrophobicContact CG1-CD1 3.94Å; I484-I532 HydrophobicContact CG1-CG1 3.91Å; I484-I532 HydrophobicContact CG2-CD1 4.14Å; I484-Y857 HydrophobicContact CG2-CD2 4.4Å; I484-Y857 HydrophobicContact CG2-CE2 3.54Å
485	L	89.9	Confident	93.7	Very high	76 Å²	76	17.3 Å²	17.3	40%	0.398	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-51.2	-39.5	173.5	-167.7	85.5	0	0	0	111.2	C482 D483 A487 H514 Y857	C482-L485 VanDerWaalsContact O-CB 3.28Å; C482-L485 WeakPolarHBondContact O-CB 3.39Å; C482-L485 PolarHBondContact O-N 3.22Å; D483-L485 PolarHBondContact O-N 2.98Å; D483-L485 VanDerWaalsContact O-N 3.16Å; L485-A487 PolarHBondContact O-N 3.18Å; L485-H514 WeakPolarHBondContact CD1-NE2 3.41Å; L485-Y857 HydrophobicContact CB-CD2 4.28Å; L485-Y857 HydrophobicContact CD1-CD2 3.81Å; L485-Y857 HydrophobicContact CD1-CE2 4.36Å
486	D	90.4	Very high	93.7	Very high	54 Å²	54	17.3 Å²	17.3	29%	0.289	10%	0.104	S	C	.	.	S	Bend	trans	-69.7	116.2	170.2	-179	-10.8	0	0	0	109.5	R449 D483 I484 N488 V489 R531	R449-D486 IonicContact CZ-OD2 3.34Å; R449-D486 VanDerWaalsContact CZ-OD2 3.27Å; R449-D486 IonicContact NH1-OD2 3.66Å; R449-D486 PolarHBondContact NH1-OD2 2.79Å; R449-D486 IonicContact NH2-OD2 2.68Å; R449-D486 PolarHBondContact NH2-OD2 2.85Å; D483-D486 PolarHBondContact O-N 2.99Å; I484-D486 CarbonylContact O-C 3.53Å; I484-D486 PolarHBondContact O-N 3.34Å; D486-N488 PolarHBondContact O-N 2.95Å; D486-N488 WeakPolarHBondContact OD1-CB 3.45Å; D486-N488 PolarHBondContact OD1-N 3.14Å; D486-V489 HydrophobicContact CB-CB 4.16Å; D486-V489 HydrophobicContact CB-CG2 3.69Å; D486-V489 PolarHBondContact O-N 2.84Å; D486-R531 PolarHBondContact O-NH2 3.3Å
487	A	89.8	Confident	93.6	Very high	77 Å²	77	18.6 Å²	18.6	64%	0.636	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.8	-179	0	0	0	0	0	113.8	L485	L485-A487 PolarHBondContact O-N 3.18Å
488	N	93.2	Very high	93.4	Very high	72 Å²	72	23.8 Å²	23.8	39%	0.385	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.8	179	-67.9	-42.1	0	0	0	113.5	R448 R449 D486	R448-N488 CarbonylContact C-O 3.41Å; R448-N488 VanDerWaalsContact CA-O 3.25Å; R448-N488 WeakPolarHBondContact CA-O 3.26Å; R448-N488 WeakPolarHBondContact CG-O 3.29Å; R449-N488 PolarHBondContact N-O 2.7Å; D486-N488 PolarHBondContact O-N 2.95Å; D486-N488 WeakPolarHBondContact OD1-CB 3.45Å; D486-N488 PolarHBondContact OD1-N 3.14Å
489	V	95.1	Very high	93.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.6	-177.3	172	0	0	0	0	111.6	R449 I451 I484 D486 V491 R531	R449-V489 HydrophobicContact CG-CG2 4.21Å; R449-V489 VanDerWaalsContact NH2-CG2 3.31Å; R449-V489 CarbonylContact O-C 3.47Å; R449-V489 WeakPolarHBondContact O-CA 3.46Å; I451-V489 HydrophobicContact CB-CG1 4.43Å; I451-V489 HydrophobicContact CD1-CG1 3.74Å; I451-V489 HydrophobicContact CD1-CG2 4.03Å; I451-V489 HydrophobicContact CG1-CG1 3.89Å; I484-V489 WeakPolarHBondContact CD1-O 3.35Å; D486-V489 HydrophobicContact CB-CB 4.16Å; D486-V489 HydrophobicContact CB-CG2 3.69Å; D486-V489 PolarHBondContact O-N 2.84Å; V489-V491 HydrophobicContact CG1-CG2 3.83Å; V489-R531 PolarHBondContact O-NE 3.43Å; V489-R531 PolarHBondContact O-NH2 2.84Å
490	N	96	Very high	92.9	Very high	20 Å²	20	25.7 Å²	25.7	11%	0.107	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.7	157.6	-55.8	-46.9	0	0	0	108.6	R449 T450 I451 R531	R449-N490 PolarHBondContact O-N 3.45Å; T450-N490 CarbonylContact C-O 3.55Å; T450-N490 VanDerWaalsContact CA-O 3.31Å; T450-N490 WeakPolarHBondContact CA-O 3.49Å; T450-N490 HydrophobicContact CG2-CB 4.27Å; I451-N490 PolarHBondContact N-O 2.94Å; N490-R531 CarbonylContact C-O 3.59Å; N490-R531 WeakPolarHBondContact CA-O 3.46Å
491	V	96.9	Very high	92.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.2	-176.6	177	0	0	0	0	110.4	L481 D483 I484 V489 R531 I532 K533	L481-V491 HydrophobicContact CD2-CG1 4.19Å; D483-V491 HydrophobicContact CB-CG2 4.15Å; I484-V491 HydrophobicContact CB-CG2 4.18Å; I484-V491 HydrophobicContact CD1-CG2 4.2Å; V489-V491 HydrophobicContact CG1-CG2 3.83Å; V491-R531 PolarHBondContact N-O 2.92Å; V491-I532 WeakPolarHBondContact O-CA 3.15Å; V491-K533 PolarHBondContact O-N 3.44Å
492	I	97.6	Very high	92.2	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.8	165.3	-59.2	179.3	0	0	0	107.8	T450 I451 I452 H453 I494 K533 I535 L567 I568	T450-I492 HydrophobicContact CG2-CD1 3.73Å; T450-I492 HydrophobicContact CG2-CG1 3.8Å; I451-I492 PolarHBondContact O-N 3.44Å; I452-I492 CarbonylContact C-O 3.53Å; I452-I492 WeakPolarHBondContact CA-O 3.29Å; I452-I492 HydrophobicContact CG1-CB 4.24Å; I452-I492 HydrophobicContact CG1-CD1 4.37Å; I452-I492 HydrophobicContact CG2-CB 4.34Å; I452-I492 HydrophobicContact CG2-CG2 4.27Å; H453-I492 PolarHBondContact N-O 2.89Å; I492-I494 HydrophobicContact CG2-CD1 4.06Å; I492-K533 CarbonylContact C-O 3.32Å; I492-K533 VanDerWaalsContact CA-O 3.3Å; I492-K533 WeakPolarHBondContact CA-O 3.41Å; I492-K533 HydrophobicContact CG1-CB 4.43Å; I492-I535 HydrophobicContact CG2-CD1 3.83Å; I492-I535 HydrophobicContact CG2-CG1 4.37Å; I492-L567 HydrophobicContact CD1-CB 4.01Å; I492-L567 HydrophobicContact CD1-CD1 4.13Å; I492-I568 HydrophobicContact CD1-CG2 3.92Å
493	Y	96.9	Very high	91.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.4	177.2	-174.6	-89.2	0	0	0	110.2	H453 P455 N475 L478 R480 L481 C495 K533 I534 I535	H453-Y493 HydrophobicContact CB-CD2 4.06Å; P455-Y493 HydrophobicContact CG-CE1 4.42Å; P455-Y493 HydrophobicContact CG-CE2 4.09Å; N475-Y493 WeakPolarHBondContact OD1-CE1 3.27Å; N475-Y493 PolarHBondContact OD1-OH 2.63Å; L478-Y493 HydrophobicContact CD2-CD1 4.24Å; L478-Y493 HydrophobicContact CD2-CE1 3.61Å; L478-Y493 HydrophobicContact CD2-CE2 4.35Å; R480-Y493 HydrophobicContact CB-CD2 4.45Å; R480-Y493 HydrophobicContact CB-CE2 4.35Å; L481-Y493 HydrophobicContact CD2-CD2 4.3Å; L481-Y493 HydrophobicContact CD2-CG 4.07Å; Y493-C495 HydrophobicContact CD1-CB 4.18Å; Y493-C495 HydrophobicContact CE1-CB 4.15Å; Y493-K533 PolarHBondContact N-O 2.87Å; Y493-I534 HydrophobicContact CD1-CG2 4.43Å; Y493-I534 WeakPolarHBondContact O-CA 3.31Å; Y493-I535 PolarHBondContact O-N 2.88Å
494	I	97.3	Very high	91.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.9	173.6	-52.1	-54	0	0	0	108.3	I452 H453 I454 P455 I492 I535 P537 L550 L554 I564	I452-I494 HydrophobicContact CG2-CD1 4.38Å; I452-I494 HydrophobicContact CG2-CG1 4.2Å; H453-I494 PolarHBondContact O-N 3.31Å; I454-I494 HydrophobicContact CG1-CG1 3.92Å; P455-I494 VanDerWaalsContact CD-O 3.29Å; P455-I494 WeakPolarHBondContact CD-O 3.41Å; I492-I494 HydrophobicContact CG2-CD1 4.06Å; I494-I535 WeakPolarHBondContact CA-O 3.48Å; I494-I535 HydrophobicContact CD1-CB 4.1Å; I494-P537 HydrophobicContact CG2-CG 3.7Å; I494-L550 HydrophobicContact CB-CD2 4.25Å; I494-L550 HydrophobicContact CG2-CD1 4.1Å; I494-L550 HydrophobicContact CG2-CD2 3.96Å; I494-L550 HydrophobicContact CG2-CG 3.92Å; I494-L550 WeakPolarHBondContact O-CD2 3.28Å; I494-L554 HydrophobicContact CD1-CD2 4.37Å; I494-L554 HydrophobicContact CG1-CD2 4.14Å; I494-L554 HydrophobicContact CG2-CD2 4.42Å; I494-I564 HydrophobicContact CD1-CD1 3.66Å; I494-I564 HydrophobicContact CD1-CG1 4.43Å
495	C	95	Very high	91.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.			trans	-98.4	138.2	-177.8	-169.4	0	0	0	0	110.4	N475 Y493 H497 I534 I535 P537	N475-C495 PolarHBondContact ND2-SG 3.05Å; N475-C495 VanDerWaalsContact ND2-SG 3.43Å; N475-C495 PolarHBondContact OD1-SG 3.39Å; Y493-C495 HydrophobicContact CD1-CB 4.18Å; Y493-C495 HydrophobicContact CE1-CB 4.15Å; C495-H497 PolarHBondContact O-N 2.8Å; C495-H497 PolarHBondContact SG-O 3.14Å; C495-I534 HydrophobicContact CB-CG2 3.81Å; C495-I535 PolarHBondContact N-O 2.74Å; C495-P537 WeakPolarHBondContact O-CD 3.19Å
496	S	92.9	Very high	91.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-78.4	-5.2	175.4	60.2	0	0	0	0	113.7	N471 N475 V540	N471-S496 WeakPolarHBondContact O-CB 3.36Å; N471-S496 PolarHBondContact O-OG 3.06Å; N475-S496 WeakPolarHBondContact CB-OG 3.44Å; S496-V540 VanDerWaalsContact O-CG1 3.31Å; S496-V540 WeakPolarHBondContact O-CG1 3.34Å
497	H	89.1	Confident	91.6	Very high	31 Å²	31	36.4 Å²	36.4	14%	0.144	20%	0.196	C	C	.	.	S	Bend	trans	-134.2	159.5	177.8	-62.7	93.6	0	0	0	111.4	N471 T472 C495 M499 T536	N471-H497 PolarHBondContact O-CE1 3.09Å; T472-H497 PolarHBondContact N-CE1 3.02Å; C495-H497 PolarHBondContact O-N 2.8Å; C495-H497 PolarHBondContact SG-O 3.14Å; H497-M499 PolarHBondContact O-N 2.9Å; H497-T536 VanDerWaalsContact C-CG2 3.41Å; H497-T536 VanDerWaalsContact O-CG2 3.27Å; H497-T536 WeakPolarHBondContact O-CG2 3.47Å; H497-T536 PolarHBondContact O-OG1 2.75Å
498	H	87.4	Confident	91.5	Very high	121 Å²	121	37.3 Å²	37.3	56%	0.56	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-73.7	122	164.8	-164.3	-78.8	0	0	0	108.6	H945	H498-H945 PolarHBondContact O-CE1 2.93Å; H498-H945 PolarHBondContact O-ND1 2.82Å
499	M	84.9	Confident	91.3	Very high	11 Å²	11	39 Å²	39	5%	0.054	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-77.8	128.1	173.8	-62.5	-71	-85	0	0	108.2	H497 L503 V504 Y507 I534	H497-M499 PolarHBondContact O-N 2.9Å; M499-L503 HydrophobicContact CE-CB 3.64Å; M499-L503 HydrophobicContact CE-CD1 4.31Å; M499-L503 HydrophobicContact SD-CB 4.26Å; M499-L503 HydrophobicContact SD-CD1 4.05Å; M499-V504 HydrophobicContact CB-CG2 3.6Å; M499-Y507 HydrophobicContact CE-CD2 3.69Å; M499-Y507 HydrophobicContact CE-CE2 3.86Å; M499-I534 HydrophobicContact CG-CG2 4.3Å
500	N	87.7	Confident	91	Very high	38 Å²	38	39.7 Å²	39.7	20%	0.203	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-75.2	165.8	170.6	70.4	-19.3	0	0	0	109.9	E502 L503 V504 H945	N500-E502 PolarHBondContact ND2-OE2 3.22Å; N500-E502 PolarHBondContact O-N 2.82Å; N500-L503 PolarHBondContact O-N 3.27Å; N500-L503 VanDerWaalsContact OD1-CB 3.26Å; N500-L503 WeakPolarHBondContact OD1-CB 3.4Å; N500-L503 WeakPolarHBondContact OD1-CG 3.44Å; N500-L503 PolarHBondContact OD1-N 3.43Å; N500-V504 WeakPolarHBondContact O-CG2 3.33Å; N500-V504 PolarHBondContact O-N 3.45Å; N500-H945 HydrophobicContact CB-CB 4.33Å
501	D	87.4	Confident	90.7	Very high	147 Å²	147	39.3 Å²	39.3	79%	0.786	19%	0.192	S	C	*	.	H	α-helix	trans	-58.9	-32.8	-177.4	-63.7	-32.1	0	0	0	112.4	L505	D501-L505 VanDerWaalsContact O-CB 3.22Å; D501-L505 WeakPolarHBondContact O-CB 3.42Å; D501-L505 PolarHBondContact O-N 3.2Å
502	E	87.7	Confident	90.2	Very high	57 Å²	57	40.2 Å²	40.2	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-51.1	176.2	-174	-172.2	-168.7	0	0	112.5	N500 L505 Y506 H916 Y917	N500-E502 PolarHBondContact ND2-OE2 3.22Å; N500-E502 PolarHBondContact O-N 2.82Å; E502-L505 PolarHBondContact O-N 2.7Å; E502-Y506 WeakPolarHBondContact O-CB 3.24Å; E502-Y506 PolarHBondContact O-N 2.93Å; E502-H916 WeakPolarHBondContact OE1-CB 3.31Å; E502-Y917 WeakPolarHBondContact OE1-CB 3.36Å; E502-Y917 PolarHBondContact OE1-N 3.32Å
503	L	88.9	Confident	89.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-38.9	178.3	-72.6	175.1	0	0	0	111.5	M499 N500 L505 Y506 Y507 L942 H945	M499-L503 HydrophobicContact CE-CB 3.64Å; M499-L503 HydrophobicContact CE-CD1 4.31Å; M499-L503 HydrophobicContact SD-CB 4.26Å; M499-L503 HydrophobicContact SD-CD1 4.05Å; N500-L503 PolarHBondContact O-N 3.27Å; N500-L503 VanDerWaalsContact OD1-CB 3.26Å; N500-L503 WeakPolarHBondContact OD1-CB 3.4Å; N500-L503 WeakPolarHBondContact OD1-CG 3.44Å; N500-L503 PolarHBondContact OD1-N 3.43Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 3.2Å; L503-Y506 PolarHBondContact O-N 3.34Å; L503-Y507 VanDerWaalsContact O-CD2 3.29Å; L503-Y507 WeakPolarHBondContact O-CD2 3.31Å; L503-Y507 PolarHBondContact O-N 2.93Å; L503-Y507 VanDerWaalsContact O-N 3.07Å; L503-L942 HydrophobicContact CD2-CB 3.52Å; L503-L942 HydrophobicContact CD2-CD1 4.1Å; L503-L942 HydrophobicContact CD2-CG 4.49Å; L503-H945 HydrophobicContact CD1-CB 3.91Å
504	V	88.9	Confident	89.1	Confident	43 Å²	43	43 Å²	43	26%	0.261	21%	0.213	S	C	.	.	H	α-helix	trans	-60.4	-44.5	174.3	174.1	0	0	0	0	110.3	M499 N500 K508	M499-V504 HydrophobicContact CB-CG2 3.6Å; N500-V504 WeakPolarHBondContact O-CG2 3.33Å; N500-V504 PolarHBondContact O-N 3.45Å; V504-K508 HydrophobicContact CG1-CD 4.14Å; V504-K508 HydrophobicContact CG1-CG 4.37Å; V504-K508 WeakPolarHBondContact O-CB 3.16Å; V504-K508 VanDerWaalsContact O-CG 3.28Å; V504-K508 WeakPolarHBondContact O-CG 3.39Å; V504-K508 PolarHBondContact O-N 3.07Å
505	L	89.1	Confident	88.4	Confident	97 Å²	97	44.2 Å²	44.2	51%	0.508	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-42.9	177.8	-177	63.4	0	0	0	111.6	D501 E502 L503 K508 Q509	D501-L505 VanDerWaalsContact O-CB 3.22Å; D501-L505 WeakPolarHBondContact O-CB 3.42Å; D501-L505 PolarHBondContact O-N 3.2Å; E502-L505 PolarHBondContact O-N 2.7Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 3.2Å; L505-K508 PolarHBondContact O-N 3.21Å; L505-Q509 WeakPolarHBondContact O-CB 3.35Å; L505-Q509 WeakPolarHBondContact O-CG 3.43Å; L505-Q509 PolarHBondContact O-N 3.31Å
506	Y	90.9	Very high	87.8	Confident	29 Å²	29	44.4 Å²	44.4	11%	0.114	22%	0.224	C	C	.	.	H	α-helix	trans	-56.7	-51.5	176.9	179.8	-108	0	0	0	112.1	E502 L503 Q509 I510 L920 F940 L942	E502-Y506 WeakPolarHBondContact O-CB 3.24Å; E502-Y506 PolarHBondContact O-N 2.93Å; L503-Y506 PolarHBondContact O-N 3.34Å; Y506-Q509 WeakPolarHBondContact O-CB 3.42Å; Y506-Q509 PolarHBondContact O-N 3.27Å; Y506-I510 HydrophobicContact CD1-CD1 3.95Å; Y506-I510 HydrophobicContact CE1-CD1 3.34Å; Y506-I510 HydrophobicContact CE1-CG1 4.45Å; Y506-I510 HydrophobicContact CE2-CD1 4.15Å; Y506-I510 VanDerWaalsContact CZ-CD1 3.46Å; Y506-I510 PolarHBondContact O-N 3.48Å; Y506-L920 HydrophobicContact CD2-CD1 3.93Å; Y506-L920 HydrophobicContact CE2-CD1 3.87Å; Y506-L920 HydrophobicContact CE2-CD2 4.28Å; Y506-F940 PolarHBondContact OH-O 3.02Å; Y506-L942 HydrophobicContact CD1-CD1 4.13Å; Y506-L942 HydrophobicContact CD1-CG 4.47Å; Y506-L942 HydrophobicContact CE1-CD1 4.1Å; Y506-L942 HydrophobicContact CE1-CG 4.13Å; Y506-L942 HydrophobicContact CG-CD1 4.37Å
507	Y	90.3	Very high	87.4	Confident	15 Å²	15	44.6 Å²	44.6	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-69.4	-35.5	178.9	-78.2	-71.4	0	0	0	112.6	L478 L481 M499 L503 Q509 I510 L511 I941 L942	L478-Y507 HydrophobicContact CB-CE1 4.17Å; L478-Y507 HydrophobicContact CD1-CE1 4.42Å; L478-Y507 HydrophobicContact CD1-CE2 3.84Å; L478-Y507 WeakPolarHBondContact CD1-OH 3.48Å; L481-Y507 HydrophobicContact CD1-CD1 4.33Å; M499-Y507 HydrophobicContact CE-CD2 3.69Å; M499-Y507 HydrophobicContact CE-CE2 3.86Å; L503-Y507 VanDerWaalsContact O-CD2 3.29Å; L503-Y507 WeakPolarHBondContact O-CD2 3.31Å; L503-Y507 PolarHBondContact O-N 2.93Å; L503-Y507 VanDerWaalsContact O-N 3.07Å; Y507-Q509 VanDerWaalsContact C-N 3.3Å; Y507-Q509 PolarHBondContact O-N 2.86Å; Y507-I510 PolarHBondContact O-N 3.26Å; Y507-L511 WeakPolarHBondContact O-CB 3.28Å; Y507-L511 WeakPolarHBondContact O-CD1 3.34Å; Y507-L511 WeakPolarHBondContact O-CG 3.39Å; Y507-L511 PolarHBondContact O-N 3.43Å; Y507-I941 WeakPolarHBondContact OH-CG2 3.4Å; Y507-L942 PolarHBondContact OH-N 2.61Å; Y507-L942 VanDerWaalsContact OH-N 3.11Å; Y507-L942 PolarHBondContact OH-O 3.41Å
508	K	88.8	Confident	87	Confident	96 Å²	96	50.4 Å²	50.4	42%	0.417	25%	0.25	S	S	.	.	H	α-helix	trans	-59.1	-42.7	171.3	-79.6	-176.1	179.7	-168.6	0	111.5	V504 L505 L511 S512	V504-K508 HydrophobicContact CG1-CD 4.14Å; V504-K508 HydrophobicContact CG1-CG 4.37Å; V504-K508 WeakPolarHBondContact O-CB 3.16Å; V504-K508 VanDerWaalsContact O-CG 3.28Å; V504-K508 WeakPolarHBondContact O-CG 3.39Å; V504-K508 PolarHBondContact O-N 3.07Å; L505-K508 PolarHBondContact O-N 3.21Å; K508-L511 PolarHBondContact O-N 3.42Å; K508-S512 VanDerWaalsContact O-CB 3.28Å; K508-S512 WeakPolarHBondContact O-CB 3.4Å; K508-S512 PolarHBondContact O-N 3.13Å; K508-S512 PolarHBondContact O-OG 3.19Å
509	Q	88.5	Confident	86.7	Confident	108 Å²	108	46.9 Å²	46.9	51%	0.505	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-54.8	175.9	-75.5	176.8	-9.1	0	0	110.5	L505 Y506 Y507 L511 S512 L513	L505-Q509 WeakPolarHBondContact O-CB 3.35Å; L505-Q509 WeakPolarHBondContact O-CG 3.43Å; L505-Q509 PolarHBondContact O-N 3.31Å; Y506-Q509 WeakPolarHBondContact O-CB 3.42Å; Y506-Q509 PolarHBondContact O-N 3.27Å; Y507-Q509 VanDerWaalsContact C-N 3.3Å; Y507-Q509 PolarHBondContact O-N 2.86Å; Q509-L511 VanDerWaalsContact C-N 3.3Å; Q509-L511 PolarHBondContact O-N 3.05Å; Q509-S512 PolarHBondContact O-N 3.21Å; Q509-S512 PolarHBondContact O-OG 3.38Å; Q509-L513 WeakPolarHBondContact O-CG 3.23Å; Q509-L513 PolarHBondContact O-N 3.37Å
510	I	89.4	Confident	86.1	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.072	25%	0.25	C	C	.	.	H	α-helix	trans	-51.8	-48.9	177.5	-71.8	177.2	0	0	0	111.6	Y506 Y507 S512 L513 L854 L858 V939	Y506-I510 HydrophobicContact CD1-CD1 3.95Å; Y506-I510 HydrophobicContact CE1-CD1 3.34Å; Y506-I510 HydrophobicContact CE1-CG1 4.45Å; Y506-I510 HydrophobicContact CE2-CD1 4.15Å; Y506-I510 VanDerWaalsContact CZ-CD1 3.46Å; Y506-I510 PolarHBondContact O-N 3.48Å; Y507-I510 PolarHBondContact O-N 3.26Å; I510-S512 VanDerWaalsContact C-N 3.32Å; I510-S512 PolarHBondContact O-N 2.89Å; I510-L513 WeakPolarHBondContact O-CB 3.5Å; I510-L513 PolarHBondContact O-N 3.16Å; I510-L854 HydrophobicContact CG2-CD1 4.17Å; I510-L858 HydrophobicContact CG2-CD2 4.24Å; I510-V939 HydrophobicContact CD1-CG1 4.09Å
511	L	89.5	Confident	85.5	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-33.2	-177.5	-68.7	164	0	0	0	112.1	L481 I484 Y507 K508 Q509 L513 S526 L528 I532 Y857	L481-L511 HydrophobicContact CB-CD2 4.36Å; L481-L511 HydrophobicContact CD1-CD1 4.45Å; I484-L511 HydrophobicContact CG2-CD2 4.39Å; Y507-L511 WeakPolarHBondContact O-CB 3.28Å; Y507-L511 WeakPolarHBondContact O-CD1 3.34Å; Y507-L511 WeakPolarHBondContact O-CG 3.39Å; Y507-L511 PolarHBondContact O-N 3.43Å; K508-L511 PolarHBondContact O-N 3.42Å; Q509-L511 VanDerWaalsContact C-N 3.3Å; Q509-L511 PolarHBondContact O-N 3.05Å; L511-L513 VanDerWaalsContact C-N 3.26Å; L511-L513 PolarHBondContact O-N 2.97Å; L511-S526 PolarHBondContact O-OG 3.23Å; L511-L528 HydrophobicContact CB-CD1 4.22Å; L511-I532 HydrophobicContact CD1-CD1 3.53Å; L511-I532 HydrophobicContact CD2-CD1 4.15Å; L511-I532 HydrophobicContact CG-CD1 4.28Å; L511-Y857 HydrophobicContact CD2-CE1 4.01Å; L511-Y857 PolarHBondContact O-OH 2.85Å
512	S	86.8	Confident	84.9	Confident	20 Å²	20	45.8 Å²	45.8	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-22.3	177.2	74.8	0	0	0	0	113.9	K508 Q509 I510 H514 R525 S526	K508-S512 VanDerWaalsContact O-CB 3.28Å; K508-S512 WeakPolarHBondContact O-CB 3.4Å; K508-S512 PolarHBondContact O-N 3.13Å; K508-S512 PolarHBondContact O-OG 3.19Å; Q509-S512 PolarHBondContact O-N 3.21Å; Q509-S512 PolarHBondContact O-OG 3.38Å; I510-S512 VanDerWaalsContact C-N 3.32Å; I510-S512 PolarHBondContact O-N 2.89Å; S512-H514 PolarHBondContact O-N 2.93Å; S512-R525 WeakPolarHBondContact OG-CD 3.3Å; S512-S526 WeakPolarHBondContact CA-OG 3.22Å; S512-S526 PolarHBondContact O-N 3.29Å; S512-S526 PolarHBondContact O-OG 3.07Å
513	L	85.3	Confident	84.4	Confident	34 Å²	34	50.9 Å²	50.9	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-23.3	-177.9	-64.7	177.2	0	0	0	113	Q509 I510 L511 A515 A516 V517 L932	Q509-L513 WeakPolarHBondContact O-CG 3.23Å; Q509-L513 PolarHBondContact O-N 3.37Å; I510-L513 WeakPolarHBondContact O-CB 3.5Å; I510-L513 PolarHBondContact O-N 3.16Å; L511-L513 VanDerWaalsContact C-N 3.26Å; L511-L513 PolarHBondContact O-N 2.97Å; L513-A515 PolarHBondContact O-N 2.61Å; L513-A516 WeakPolarHBondContact O-CB 3.29Å; L513-A516 PolarHBondContact O-N 3.39Å; L513-V517 WeakPolarHBondContact O-CG2 3.45Å; L513-V517 PolarHBondContact O-N 3.34Å; L513-L932 HydrophobicContact CB-CD2 3.98Å; L513-L932 HydrophobicContact CD1-CD1 4.35Å; L513-L932 HydrophobicContact CD1-CD2 4.07Å; L513-L932 HydrophobicContact CD2-CD1 3.66Å; L513-L932 HydrophobicContact CD2-CD2 4.27Å; L513-L932 HydrophobicContact CG-CD1 4.47Å; L513-L932 HydrophobicContact CG-CD2 4.29Å
514	H	84.8	Confident	84	Confident	30 Å²	30	53.7 Å²	53.7	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-30.9	-177.4	178.9	-97.4	0	0	0	113.5	L485 S512 V517 K518 Y857	L485-H514 WeakPolarHBondContact CD1-NE2 3.41Å; S512-H514 PolarHBondContact O-N 2.93Å; H514-V517 PolarHBondContact O-N 2.93Å; H514-K518 WeakPolarHBondContact O-CB 3.36Å; H514-K518 PolarHBondContact O-N 3.08Å; H514-Y857 HydrophobicContact CB-CD1 4.32Å; H514-Y857 HydrophobicContact CB-CE1 3.52Å; H514-Y857 HydrophobicContact CB-CE2 4.03Å; H514-Y857 VanDerWaalsContact CB-OH 3.27Å; H514-Y857 WeakPolarHBondContact CB-OH 3.15Å; H514-Y857 PolarHBondContact CD2-O 3.02Å; H514-Y857 AromaticContact CG-CE2 3.95Å; H514-Y857 AromaticContact CG-CZ 3.79Å
515	A	83.8	Confident	83.5	Confident	24 Å²	24	58 Å²	58	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-48.8	173.2	0	0	0	0	0	111.4	L513 V517 K518 S519 D524	L513-A515 PolarHBondContact O-N 2.61Å; A515-V517 PolarHBondContact O-N 3.28Å; A515-K518 PolarHBondContact O-N 2.94Å; A515-S519 PolarHBondContact O-N 3.38Å; A515-S519 PolarHBondContact O-OG 2.99Å; A515-S519 VanDerWaalsContact O-OG 3.09Å; A515-D524 HydrophobicContact CB-CB 4.13Å
516	A	82.3	Confident	83	Confident	5 Å²	5	54.9 Å²	54.9	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-40.1	175.2	0	0	0	0	0	112.3	L513 K518 G520 N521 D524	L513-A516 WeakPolarHBondContact O-CB 3.29Å; L513-A516 PolarHBondContact O-N 3.39Å; A516-K518 VanDerWaalsContact C-N 3.29Å; A516-K518 PolarHBondContact O-N 3.3Å; A516-G520 WeakPolarHBondContact O-CA 3.4Å; A516-G520 PolarHBondContact O-N 3.49Å; A516-N521 VanDerWaalsContact CA-O 3.31Å; A516-N521 WeakPolarHBondContact CA-O 3.44Å; A516-N521 WeakPolarHBondContact CB-O 3.28Å; A516-D524 WeakPolarHBondContact CB-O 3.44Å; A516-D524 PolarHBondContact N-O 3.42Å
517	V	83.4	Confident	82.4	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-41.2	176	175.6	0	0	0	0	110.8	L513 H514 A515 L858 N860 L932 R935	L513-V517 WeakPolarHBondContact O-CG2 3.45Å; L513-V517 PolarHBondContact O-N 3.34Å; H514-V517 PolarHBondContact O-N 2.93Å; A515-V517 PolarHBondContact O-N 3.28Å; V517-L858 WeakPolarHBondContact CG1-O 3.44Å; V517-L858 VanDerWaalsContact CG2-O 3.25Å; V517-L858 WeakPolarHBondContact CG2-O 3.31Å; V517-N860 HydrophobicContact CG1-CB 3.63Å; V517-L932 HydrophobicContact CG2-CD2 3.95Å; V517-R935 PolarHBondContact O-NH2 3.26Å
518	K	81.8	Confident	81.9	Confident	153 Å²	153	60.2 Å²	60.2	67%	0.665	31%	0.308	S	S	*	.	H	α-helix	trans	-75.1	-40.9	-178.7	-172.6	175.2	-179.8	176.3	0	113.3	H514 A515 A516	H514-K518 WeakPolarHBondContact O-CB 3.36Å; H514-K518 PolarHBondContact O-N 3.08Å; A515-K518 PolarHBondContact O-N 2.94Å; A516-K518 VanDerWaalsContact C-N 3.29Å; A516-K518 PolarHBondContact O-N 3.3Å
519	S	79.6	Confident	81.2	Confident	46 Å²	46	60.8 Å²	60.8	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-88.4	-22.8	-176.9	68.1	0	0	0	0	113.9	A515 N521 D524 F875	A515-S519 PolarHBondContact O-N 3.38Å; A515-S519 PolarHBondContact O-OG 2.99Å; A515-S519 VanDerWaalsContact O-OG 3.09Å; S519-N521 PolarHBondContact O-N 3.18Å; S519-N521 PolarHBondContact OG-N 3.38Å; S519-N521 VanDerWaalsContact OG-N 3.16Å; S519-D524 WeakPolarHBondContact CB-OD2 3.35Å; S519-D524 PolarHBondContact OG-OD2 3Å; S519-F875 WeakPolarHBondContact O-CE2 3.49Å; S519-F875 WeakPolarHBondContact O-CZ 3.48Å
520	G	72.3	Confident	80.9	Confident	27 Å²	27	61.9 Å²	61.9	28%	0.278	32%	0.321	S	S	.	.			trans	71.3	8.4	-169.9	0	0	0	0	0	114.6	A516	A516-G520 WeakPolarHBondContact O-CA 3.4Å; A516-G520 PolarHBondContact O-N 3.49Å
521	N	75.8	Confident	80.9	Confident	71 Å²	71	63.9 Å²	63.9	38%	0.38	33%	0.328	S	S	.	.			trans	-96.5	120.2	172.1	-178.1	18.2	0	0	0	110.2	A516 S519 E523 D524	A516-N521 VanDerWaalsContact CA-O 3.31Å; A516-N521 WeakPolarHBondContact CA-O 3.44Å; A516-N521 WeakPolarHBondContact CB-O 3.28Å; S519-N521 PolarHBondContact O-N 3.18Å; S519-N521 PolarHBondContact OG-N 3.38Å; S519-N521 VanDerWaalsContact OG-N 3.16Å; N521-E523 PolarHBondContact O-N 2.84Å; N521-E523 VanDerWaalsContact O-N 3.13Å; N521-E523 PolarHBondContact OD1-N 2.91Å; N521-D524 PolarHBondContact ND2-OD1 3.35Å; N521-D524 PolarHBondContact O-N 3.25Å; N521-D524 VanDerWaalsContact O-N 3.12Å
522	L	75.7	Confident	81.1	Confident	75 Å²	75	64.3 Å²	64.3	39%	0.393	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.6	-178.2	-68.2	178.8	0	0	0	114.3	R525 L932 E933	L522-R525 VanDerWaalsContact O-CZ 3.28Å; L522-R525 PolarHBondContact O-NH1 3.41Å; L522-R525 PolarHBondContact O-NH2 2.99Å; L522-L932 HydrophobicContact CD2-CB 3.81Å; L522-L932 HydrophobicContact CD2-CD1 4.34Å; L522-E933 HydrophobicContact CD1-CG 4.26Å; L522-E933 WeakPolarHBondContact CD1-OE1 3.37Å; L522-E933 HydrophobicContact CD2-CG 4.2Å
523	E	77.3	Confident	81.4	Confident	164 Å²	164	65.9 Å²	65.9	77%	0.766	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-16.5	177.6	-62.2	-168.8	163.1	0	0	113.3	N521 R525	N521-E523 PolarHBondContact O-N 2.84Å; N521-E523 VanDerWaalsContact O-N 3.13Å; N521-E523 PolarHBondContact OD1-N 2.91Å; E523-R525 PolarHBondContact O-N 3.34Å
524	D	79.5	Confident	81.9	Confident	61 Å²	61	66.3 Å²	66.3	33%	0.326	34%	0.336	S	S	.	.			trans	-70.3	127.4	-176.9	-70.4	0.7	0	0	0	110.3	A515 A516 S519 N521	A515-D524 HydrophobicContact CB-CB 4.13Å; A516-D524 WeakPolarHBondContact CB-O 3.44Å; A516-D524 PolarHBondContact N-O 3.42Å; S519-D524 WeakPolarHBondContact CB-OD2 3.35Å; S519-D524 PolarHBondContact OG-OD2 3Å; N521-D524 PolarHBondContact ND2-OD1 3.35Å; N521-D524 PolarHBondContact O-N 3.25Å; N521-D524 VanDerWaalsContact O-N 3.12Å
525	R	79.8	Confident	82.4	Confident	134 Å²	134	65 Å²	65	51%	0.506	33%	0.33	S	S	.	.			trans	-127.3	133.8	177.4	-64.4	-69.3	176.6	-82.6	-5.8	109.1	S512 L522 E523	S512-R525 WeakPolarHBondContact OG-CD 3.3Å; L522-R525 VanDerWaalsContact O-CZ 3.28Å; L522-R525 PolarHBondContact O-NH1 3.41Å; L522-R525 PolarHBondContact O-NH2 2.99Å; E523-R525 PolarHBondContact O-N 3.34Å
526	S	77.6	Confident	82.9	Confident	31 Å²	31	65.5 Å²	65.5	22%	0.217	33%	0.331	C	S	.	.			trans	-86.4	127.4	170.8	43.5	0	0	0	0	110.4	L511 S512 L528	L511-S526 PolarHBondContact O-OG 3.23Å; S512-S526 WeakPolarHBondContact CA-OG 3.22Å; S512-S526 PolarHBondContact O-N 3.29Å; S512-S526 PolarHBondContact O-OG 3.07Å; S526-L528 PolarHBondContact O-N 3.35Å
527	D	77.5	Confident	83.6	Confident	131 Å²	131	65.3 Å²	65.3	70%	0.701	33%	0.329	S	S	*	.			trans	-84.4	102.1	163.9	-170.7	2.2	0	0	0	109.5	Q529	D527-Q529 VanDerWaalsContact OD1-CB 3.23Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.43Å; D527-Q529 PolarHBondContact OD1-N 3.16Å
528	L	80.3	Confident	84.2	Confident	25 Å²	25	67.3 Å²	67.3	13%	0.131	34%	0.338	C	S	.	.			trans	-105.3	9.1	179.1	-62.5	174	0	0	0	112.2	I484 L511 S526 D530 R531 I532 Y857	I484-L528 HydrophobicContact CG1-CD1 4.38Å; I484-L528 HydrophobicContact CG1-CD2 4.26Å; I484-L528 HydrophobicContact CG2-CD1 4.4Å; L511-L528 HydrophobicContact CB-CD1 4.22Å; S526-L528 PolarHBondContact O-N 3.35Å; L528-D530 PolarHBondContact O-N 2.94Å; L528-D530 VanDerWaalsContact O-N 3.14Å; L528-R531 PolarHBondContact O-N 3.15Å; L528-I532 HydrophobicContact CB-CD1 4.07Å; L528-I532 HydrophobicContact CB-CG1 4.46Å; L528-I532 HydrophobicContact CD1-CD1 4.31Å; L528-I532 PolarHBondContact O-N 3.07Å; L528-Y857 WeakPolarHBondContact CD1-OH 3.49Å
529	Q	73.7	Confident	84.7	Confident	108 Å²	108	60 Å²	60	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.3	-172.2	-174.1	161.7	-48.7	0	0	112.8	D527 K533	D527-Q529 VanDerWaalsContact OD1-CB 3.23Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.43Å; D527-Q529 PolarHBondContact OD1-N 3.16Å; Q529-K533 WeakPolarHBondContact O-CE 3.26Å; Q529-K533 PolarHBondContact O-NZ 3.23Å
530	D	83.4	Confident	85.2	Confident	131 Å²	131	58.4 Å²	58.4	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-24.9	177.7	-73.8	-26.8	0	0	0	114.4	L528 K533	L528-D530 PolarHBondContact O-N 2.94Å; L528-D530 VanDerWaalsContact O-N 3.14Å; D530-K533 WeakPolarHBondContact O-CE 3.37Å; D530-K533 IonicContact OD1-NZ 2.78Å
531	R	89.9	Confident	86	Confident	55 Å²	55	62.7 Å²	62.7	21%	0.208	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-21.5	-179.2	-58.8	175.6	57.3	-154.1	-6.8	113.5	I484 D486 V489 N490 V491 L528	I484-R531 HydrophobicContact CD1-CB 3.52Å; I484-R531 VanDerWaalsContact CD1-NH2 3.34Å; I484-R531 PolarHBondContact O-NH2 3.47Å; D486-R531 PolarHBondContact O-NH2 3.3Å; V489-R531 PolarHBondContact O-NE 3.43Å; V489-R531 PolarHBondContact O-NH2 2.84Å; N490-R531 CarbonylContact C-O 3.59Å; N490-R531 WeakPolarHBondContact CA-O 3.46Å; V491-R531 PolarHBondContact N-O 2.92Å; L528-R531 PolarHBondContact O-N 3.15Å
532	I	93	Very high	86.7	Confident	21 Å²	21	64.2 Å²	64.2	11%	0.108	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	179.4	-60.3	175.4	0	0	0	110.2	L481 I484 V491 L511 L528	L481-I532 HydrophobicContact CD2-CG2 3.93Å; I484-I532 HydrophobicContact CB-CD1 4.17Å; I484-I532 HydrophobicContact CB-CG1 4.37Å; I484-I532 HydrophobicContact CD1-CD1 4.39Å; I484-I532 HydrophobicContact CD1-CG1 3.8Å; I484-I532 HydrophobicContact CG1-CD1 3.94Å; I484-I532 HydrophobicContact CG1-CG1 3.91Å; I484-I532 HydrophobicContact CG2-CD1 4.14Å; V491-I532 WeakPolarHBondContact O-CA 3.15Å; L511-I532 HydrophobicContact CD1-CD1 3.53Å; L511-I532 HydrophobicContact CD2-CD1 4.15Å; L511-I532 HydrophobicContact CG-CD1 4.28Å; L528-I532 HydrophobicContact CB-CD1 4.07Å; L528-I532 HydrophobicContact CB-CG1 4.46Å; L528-I532 HydrophobicContact CD1-CD1 4.31Å; L528-I532 PolarHBondContact O-N 3.07Å
533	K	94.1	Very high	87.2	Confident	53 Å²	53	63.4 Å²	63.4	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.1	175.2	-55.6	-63.6	178.1	-166.9	0	110.1	V491 I492 Y493 Q529 D530 L567	V491-K533 PolarHBondContact O-N 3.44Å; I492-K533 CarbonylContact C-O 3.32Å; I492-K533 VanDerWaalsContact CA-O 3.3Å; I492-K533 WeakPolarHBondContact CA-O 3.41Å; I492-K533 HydrophobicContact CG1-CB 4.43Å; Y493-K533 PolarHBondContact N-O 2.87Å; Q529-K533 WeakPolarHBondContact O-CE 3.26Å; Q529-K533 PolarHBondContact O-NZ 3.23Å; D530-K533 WeakPolarHBondContact O-CE 3.37Å; D530-K533 IonicContact OD1-NZ 2.78Å; K533-L567 HydrophobicContact CB-CD1 4.3Å; K533-L567 HydrophobicContact CG-CD1 4.24Å; K533-L567 HydrophobicContact CG-CD2 4.46Å
534	I	94.2	Very high	87.4	Confident	44 Å²	44	60 Å²	60	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.5	171.5	-58.2	174.4	0	0	0	108.2	L481 Y493 C495 M499	L481-I534 HydrophobicContact CD2-CG1 4.43Å; Y493-I534 HydrophobicContact CD1-CG2 4.43Å; Y493-I534 WeakPolarHBondContact O-CA 3.31Å; C495-I534 HydrophobicContact CB-CG2 3.81Å; M499-I534 HydrophobicContact CG-CG2 4.3Å
535	I	95.5	Very high	87.6	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.9	-178.3	-59.9	176.3	0	0	0	109.3	I492 Y493 I494 C495 A560 R563 I564 L567	I492-I535 HydrophobicContact CG2-CD1 3.83Å; I492-I535 HydrophobicContact CG2-CG1 4.37Å; Y493-I535 PolarHBondContact O-N 2.88Å; I494-I535 WeakPolarHBondContact CA-O 3.48Å; I494-I535 HydrophobicContact CD1-CB 4.1Å; C495-I535 PolarHBondContact N-O 2.74Å; I535-A560 HydrophobicContact CG2-CB 4.08Å; I535-R563 HydrophobicContact CD1-CG 4.21Å; I535-I564 HydrophobicContact CD1-CG1 3.63Å; I535-L567 HydrophobicContact CD1-CD1 3.76Å
536	T	95.6	Very high	87.9	Confident	35 Å²	35	64.6 Å²	64.6	22%	0.215	33%	0.326	C	S	.	.			trans	-98.9	125.1	172.9	-51.3	0	0	0	0	109.4	H497	H497-T536 VanDerWaalsContact C-CG2 3.41Å; H497-T536 VanDerWaalsContact O-CG2 3.27Å; H497-T536 WeakPolarHBondContact O-CG2 3.47Å; H497-T536 PolarHBondContact O-OG1 2.75Å
537	P	96.4	Very high	88.5	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.006	33%	0.332	C	S	.	.			trans	-63.5	131.6	173.9	-18.6	31	0	0	0	111.6	I494 C495 A539 V540 L550 H553 L554 S557	I494-P537 HydrophobicContact CG2-CG 3.7Å; C495-P537 WeakPolarHBondContact O-CD 3.19Å; P537-A539 PolarHBondContact O-N 2.94Å; P537-V540 HydrophobicContact CB-CG2 4.36Å; P537-V540 WeakPolarHBondContact O-CB 3.45Å; P537-V540 WeakPolarHBondContact O-CG2 3.43Å; P537-V540 PolarHBondContact O-N 3.19Å; P537-L550 HydrophobicContact CG-CD1 4.17Å; P537-H553 HydrophobicContact CB-CB 4.22Å; P537-H553 HydrophobicContact CG-CB 4.44Å; P537-L554 HydrophobicContact CB-CD1 4.49Å; P537-L554 HydrophobicContact CG-CB 4.24Å; P537-L554 HydrophobicContact CG-CD1 4.25Å; P537-S557 WeakPolarHBondContact CB-OG 3.39Å
538	E	94.6	Very high	89.2	Confident	46 Å²	46	62.2 Å²	62.2	22%	0.215	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.6	-179.3	64.7	-91.2	-157.2	0	0	113.9	V540 N541 S557 P558 K559 A560	E538-V540 PolarHBondContact O-N 2.97Å; E538-N541 PolarHBondContact O-N 3.06Å; E538-S557 VanDerWaalsContact CD-CA 3.43Å; E538-S557 VanDerWaalsContact CD-CB 3.41Å; E538-S557 PolarHBondContact N-OG 3.45Å; E538-S557 WeakPolarHBondContact OE1-CA 3.48Å; E538-S557 VanDerWaalsContact OE2-CB 3.3Å; E538-S557 WeakPolarHBondContact OE2-CB 3.37Å; E538-P558 VanDerWaalsContact OE1-CD 3.22Å; E538-P558 WeakPolarHBondContact OE1-CD 3.43Å; E538-K559 WeakPolarHBondContact OE1-CA 3.29Å; E538-K559 VanDerWaalsContact OE1-CB 3.25Å; E538-K559 WeakPolarHBondContact OE1-CB 3.37Å; E538-K559 PolarHBondContact OE1-N 2.91Å; E538-A560 WeakPolarHBondContact OE2-CB 3.3Å; E538-A560 PolarHBondContact OE2-N 2.98Å
539	A	93.4	Very high	89.9	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-20.4	179.5	0	0	0	0	0	113.5	P537 N541 I542 F543 H553 S557	P537-A539 PolarHBondContact O-N 2.94Å; A539-N541 PolarHBondContact O-N 2.93Å; A539-I542 PolarHBondContact O-N 3.27Å; A539-F543 HydrophobicContact CB-CD2 4.14Å; A539-F543 HydrophobicContact CB-CE2 4.34Å; A539-F543 WeakPolarHBondContact O-CD2 3.4Å; A539-F543 PolarHBondContact O-N 3.43Å; A539-H553 VanDerWaalsContact CB-O 3.3Å; A539-H553 WeakPolarHBondContact CB-O 3.25Å; A539-S557 WeakPolarHBondContact CB-OG 3.11Å; A539-S557 PolarHBondContact N-OG 2.92Å
540	V	90.5	Very high	91	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-37.7	174.1	173.3	0	0	0	0	110.9	S496 P537 E538 H553	S496-V540 VanDerWaalsContact O-CG1 3.31Å; S496-V540 WeakPolarHBondContact O-CG1 3.34Å; P537-V540 HydrophobicContact CB-CG2 4.36Å; P537-V540 WeakPolarHBondContact O-CB 3.45Å; P537-V540 WeakPolarHBondContact O-CG2 3.43Å; P537-V540 PolarHBondContact O-N 3.19Å; E538-V540 PolarHBondContact O-N 2.97Å; V540-H553 HydrophobicContact CG2-CB 4.18Å
541	N	88.4	Confident	91.6	Very high	118 Å²	118	49.6 Å²	49.6	63%	0.631	24%	0.244	S	C	*	.	H	α-helix	trans	-80.4	-19.2	178.7	-65	-22.1	0	0	0	112.9	E538 A539	E538-N541 PolarHBondContact O-N 3.06Å; A539-N541 PolarHBondContact O-N 2.93Å
542	I	89.8	Confident	91.8	Very high	103 Å²	103	47.4 Å²	47.4	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-84.2	-36.7	-179.7	-56.9	176.8	0	0	0	110.4	A539 P544	A539-I542 PolarHBondContact O-N 3.27Å; I542-P544 WeakPolarHBondContact O-CD 3.42Å
543	F	87.8	Confident	92	Very high	58 Å²	58	46.4 Å²	46.4	25%	0.254	23%	0.231	S	C	.	.			trans	-115.8	50.7	-176.5	-57.5	-70.5	0	0	0	113.8	A539 K545 H546 M548 Y556	A539-F543 HydrophobicContact CB-CD2 4.14Å; A539-F543 HydrophobicContact CB-CE2 4.34Å; A539-F543 WeakPolarHBondContact O-CD2 3.4Å; A539-F543 PolarHBondContact O-N 3.43Å; F543-K545 PolarHBondContact O-N 2.97Å; F543-K545 VanDerWaalsContact O-N 3.09Å; F543-H546 HydrophobicContact CB-CB 4.27Å; F543-H546 AromaticContact CD1-CD2 3.84Å; F543-H546 PolarHBondContact O-N 2.89Å; F543-H546 VanDerWaalsContact O-N 3.14Å; F543-M548 HydrophobicContact CB-CE 4.35Å; F543-M548 HydrophobicContact CB-SD 4.35Å; F543-M548 HydrophobicContact CD1-CE 4.03Å; F543-M548 HydrophobicContact CD2-CE 4.48Å; F543-M548 HydrophobicContact CD2-SD 4.3Å; F543-M548 HydrophobicContact CE1-CE 4.47Å; F543-M548 HydrophobicContact CG-CE 4.04Å; F543-M548 HydrophobicContact CG-SD 4.25Å; F543-Y556 HydrophobicContact CE2-CD2 4.27Å
544	P	81.5	Confident	92.1	Very high	92 Å²	92	43.9 Å²	43.9	60%	0.597	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.2	-171.1	28.5	-36.5	0	0	0	114.2	I542	I542-P544 WeakPolarHBondContact O-CD 3.42Å
545	K	83.2	Confident	92.2	Very high	189 Å²	189	43.7 Å²	43.7	82%	0.822	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.2	-179.2	-63.3	-175.3	-179.7	-179	0	113.7	F543	F543-K545 PolarHBondContact O-N 2.97Å; F543-K545 VanDerWaalsContact O-N 3.09Å
546	H	86.6	Confident	92.2	Very high	103 Å²	103	49.3 Å²	49.3	48%	0.477	24%	0.241	S	C	.	.	S	Bend	trans	-101.3	131.2	-177.4	-64.8	-80.4	0	0	0	110.7	F543 M548	F543-H546 HydrophobicContact CB-CB 4.27Å; F543-H546 AromaticContact CD1-CD2 3.84Å; F543-H546 PolarHBondContact O-N 2.89Å; F543-H546 VanDerWaalsContact O-N 3.14Å; H546-M548 HydrophobicContact CB-CE 3.92Å; H546-M548 HydrophobicContact CB-CG 3.91Å; H546-M548 PolarHBondContact O-N 3.38Å
547	H	89.6	Confident	92.3	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.347	23%	0.231	S	C	.	.			trans	-77.6	62.2	171.9	-60.6	122.5	0	0	0	110.6	R464 F470	R464-H547 HydrophobicContact CB-CB 4.18Å; R464-H547 PolarHBondContact NH1-O 3.45Å; F470-H547 HydrophobicContact CB-CB 4.49Å; F470-H547 HydrophobicContact CD1-CB 4.19Å; F470-H547 HydrophobicContact CG-CB 4.44Å
548	M	92.6	Very high	92.2	Very high	36 Å²	36	51.7 Å²	51.7	18%	0.177	26%	0.257	C	S	.	.			trans	-82.9	139.2	176	-68.3	-172.3	-170.2	0	0	111	R464 F470 F543 H546 T552 H553 Y556	R464-M548 VanDerWaalsContact NH1-CA 3.28Å; F470-M548 VanDerWaalsContact CE1-O 3.31Å; F470-M548 WeakPolarHBondContact CE1-O 3Å; F543-M548 HydrophobicContact CB-CE 4.35Å; F543-M548 HydrophobicContact CB-SD 4.35Å; F543-M548 HydrophobicContact CD1-CE 4.03Å; F543-M548 HydrophobicContact CD2-CE 4.48Å; F543-M548 HydrophobicContact CD2-SD 4.3Å; F543-M548 HydrophobicContact CE1-CE 4.47Å; F543-M548 HydrophobicContact CG-CE 4.04Å; F543-M548 HydrophobicContact CG-SD 4.25Å; H546-M548 HydrophobicContact CB-CE 3.92Å; H546-M548 HydrophobicContact CB-CG 3.91Å; H546-M548 PolarHBondContact O-N 3.38Å; M548-T552 HydrophobicContact CB-CG2 4.23Å; M548-T552 HydrophobicContact CG-CG2 4.26Å; M548-T552 HydrophobicContact SD-CG2 3.81Å; M548-H553 PolarHBondContact O-CE1 2.89Å; M548-H553 PolarHBondContact O-ND1 3.09Å; M548-Y556 HydrophobicContact SD-CD2 4.29Å; M548-Y556 HydrophobicContact SD-CE2 4.23Å
549	C	94.5	Very high	92.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.			trans	-69.4	157.2	174.6	70	0	0	0	0	110	S456 L457 Q474 A551 T552 H553	S456-C549 WeakPolarHBondContact OG-CB 3.45Å; L457-C549 WeakPolarHBondContact O-CB 3.39Å; Q474-C549 VanDerWaalsContact OE1-CA 3.29Å; C549-A551 PolarHBondContact O-N 2.73Å; C549-T552 WeakPolarHBondContact O-CA 3.25Å; C549-T552 WeakPolarHBondContact O-CB 3.42Å; C549-T552 PolarHBondContact O-N 3.26Å; C549-T552 PolarHBondContact SG-OG1 2.88Å; C549-H553 PolarHBondContact O-N 3.49Å; C549-H553 VanDerWaalsContact O-N 3.07Å
550	L	95.6	Very high	92.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-33.5	-172.1	-170.1	58.9	0	0	0	112.4	I454 P455 S456 I494 P537 H553 L554	I454-L550 HydrophobicContact CG2-CB 4.36Å; I454-L550 HydrophobicContact CG2-CD2 4.19Å; I454-L550 HydrophobicContact CG2-CG 4.19Å; P455-L550 HydrophobicContact CG-CD2 3.75Å; S456-L550 PolarHBondContact OG-N 2.91Å; I494-L550 HydrophobicContact CB-CD2 4.25Å; I494-L550 HydrophobicContact CG2-CD1 4.1Å; I494-L550 HydrophobicContact CG2-CD2 3.96Å; I494-L550 HydrophobicContact CG2-CG 3.92Å; I494-L550 WeakPolarHBondContact O-CD2 3.28Å; P537-L550 HydrophobicContact CG-CD1 4.17Å; L550-H553 PolarHBondContact O-N 3.29Å; L550-L554 WeakPolarHBondContact O-CB 2.97Å; L550-L554 PolarHBondContact O-N 2.82Å
551	A	96.3	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-42	172.3	0	0	0	0	0	112.2	S456 C549 L554 M555 D583 D584 V587	S456-A551 PolarHBondContact OG-N 2.84Å; C549-A551 PolarHBondContact O-N 2.73Å; A551-L554 PolarHBondContact O-N 2.89Å; A551-M555 WeakPolarHBondContact O-CB 3.36Å; A551-M555 PolarHBondContact O-N 3.21Å; A551-D583 HydrophobicContact CB-CB 4.24Å; A551-D584 HydrophobicContact CB-CB 4.35Å; A551-D584 VanDerWaalsContact CB-CG 3.5Å; A551-D584 WeakPolarHBondContact CB-OD2 3.47Å; A551-V587 WeakPolarHBondContact O-CG2 3.4Å
552	T	95.7	Very high	93.3	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-44.2	174.1	-48.7	0	0	0	0	111.4	M548 C549 L554 M555 Y556 D583	M548-T552 HydrophobicContact CB-CG2 4.23Å; M548-T552 HydrophobicContact CG-CG2 4.26Å; M548-T552 HydrophobicContact SD-CG2 3.81Å; C549-T552 WeakPolarHBondContact O-CA 3.25Å; C549-T552 WeakPolarHBondContact O-CB 3.42Å; C549-T552 PolarHBondContact O-N 3.26Å; C549-T552 PolarHBondContact SG-OG1 2.88Å; T552-L554 VanDerWaalsContact C-N 3.31Å; T552-L554 PolarHBondContact O-N 3.38Å; T552-M555 HydrophobicContact CG2-CE 4.38Å; T552-M555 PolarHBondContact O-N 3.02Å; T552-Y556 HydrophobicContact CG2-CD2 3.79Å; T552-Y556 HydrophobicContact CG2-CE2 3.44Å; T552-Y556 VanDerWaalsContact CG2-CE2 3.44Å; T552-Y556 VanDerWaalsContact O-CD2 3.32Å; T552-Y556 WeakPolarHBondContact O-CD2 3.49Å; T552-Y556 PolarHBondContact O-N 3.18Å; T552-Y556 VanDerWaalsContact O-N 3.1Å; T552-D583 WeakPolarHBondContact CB-OD2 3.2Å; T552-D583 PolarHBondContact OG1-OD2 3.18Å
553	H	95.9	Very high	93.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-43.4	175.2	-72.2	131.3	0	0	0	111.4	P537 A539 V540 M548 C549 L550 Y556 S557	P537-H553 HydrophobicContact CB-CB 4.22Å; P537-H553 HydrophobicContact CG-CB 4.44Å; A539-H553 VanDerWaalsContact CB-O 3.3Å; A539-H553 WeakPolarHBondContact CB-O 3.25Å; V540-H553 HydrophobicContact CG2-CB 4.18Å; M548-H553 PolarHBondContact O-CE1 2.89Å; M548-H553 PolarHBondContact O-ND1 3.09Å; C549-H553 PolarHBondContact O-N 3.49Å; C549-H553 VanDerWaalsContact O-N 3.07Å; L550-H553 PolarHBondContact O-N 3.29Å; H553-Y556 PolarHBondContact O-N 2.67Å; H553-S557 WeakPolarHBondContact O-CB 3.36Å; H553-S557 PolarHBondContact O-N 3.38Å; H553-S557 PolarHBondContact O-OG 3.49Å
554	L	96.7	Very high	94.2	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-40.2	178.9	-175.7	58.1	0	0	0	112.4	I454 I494 P537 L550 A551 T552 Y556 S557 A560 I561 I564 V587	I454-L554 HydrophobicContact CD1-CD2 3.95Å; I494-L554 HydrophobicContact CD1-CD2 4.37Å; I494-L554 HydrophobicContact CG1-CD2 4.14Å; I494-L554 HydrophobicContact CG2-CD2 4.42Å; P537-L554 HydrophobicContact CB-CD1 4.49Å; P537-L554 HydrophobicContact CG-CB 4.24Å; P537-L554 HydrophobicContact CG-CD1 4.25Å; L550-L554 WeakPolarHBondContact O-CB 2.97Å; L550-L554 PolarHBondContact O-N 2.82Å; A551-L554 PolarHBondContact O-N 2.89Å; T552-L554 VanDerWaalsContact C-N 3.31Å; T552-L554 PolarHBondContact O-N 3.38Å; L554-Y556 VanDerWaalsContact C-N 3.28Å; L554-Y556 PolarHBondContact O-N 3.26Å; L554-S557 WeakPolarHBondContact O-CB 3.38Å; L554-S557 PolarHBondContact O-N 2.86Å; L554-A560 HydrophobicContact CD1-CB 3.82Å; L554-I561 HydrophobicContact CD1-CD1 4Å; L554-I561 HydrophobicContact CD1-CG1 4.29Å; L554-I561 HydrophobicContact CD2-CD1 4.38Å; L554-I561 HydrophobicContact CG-CD1 3.79Å; L554-I561 HydrophobicContact CG-CG1 4.45Å; L554-I561 WeakPolarHBondContact O-CG1 3.33Å; L554-I564 HydrophobicContact CD1-CD1 3.83Å; L554-I564 HydrophobicContact CD2-CD1 4.14Å; L554-V587 HydrophobicContact CB-CG2 4.34Å; L554-V587 HydrophobicContact CD2-CG1 3.74Å; L554-V587 HydrophobicContact CD2-CG2 4.47Å; L554-V587 HydrophobicContact CG-CG1 4.28Å; L554-V587 HydrophobicContact CG-CG2 4.35Å
555	M	95.6	Very high	95	Very high	40 Å²	40	57.2 Å²	57.2	20%	0.197	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-40.3	174.8	-176.1	-176.8	66.8	0	0	111.9	A551 T552 S557 D583 A586 V587 M590	A551-M555 WeakPolarHBondContact O-CB 3.36Å; A551-M555 PolarHBondContact O-N 3.21Å; T552-M555 HydrophobicContact CG2-CE 4.38Å; T552-M555 PolarHBondContact O-N 3.02Å; M555-S557 PolarHBondContact O-N 3.24Å; M555-D583 HydrophobicContact SD-CB 4.46Å; M555-A586 HydrophobicContact SD-CB 3.84Å; M555-V587 HydrophobicContact CB-CG2 4Å; M555-M590 HydrophobicContact CG-SD 4.06Å
556	Y	95.7	Very high	95.6	Very high	120 Å²	120	53.4 Å²	53.4	47%	0.471	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	8	175.8	-64.9	-45.9	0	0	0	114.4	F543 M548 T552 H553 L554 P558	F543-Y556 HydrophobicContact CE2-CD2 4.27Å; M548-Y556 HydrophobicContact SD-CD2 4.29Å; M548-Y556 HydrophobicContact SD-CE2 4.23Å; T552-Y556 HydrophobicContact CG2-CD2 3.79Å; T552-Y556 HydrophobicContact CG2-CE2 3.44Å; T552-Y556 VanDerWaalsContact CG2-CE2 3.44Å; T552-Y556 VanDerWaalsContact O-CD2 3.32Å; T552-Y556 WeakPolarHBondContact O-CD2 3.49Å; T552-Y556 PolarHBondContact O-N 3.18Å; T552-Y556 VanDerWaalsContact O-N 3.1Å; H553-Y556 PolarHBondContact O-N 2.67Å; L554-Y556 VanDerWaalsContact C-N 3.28Å; L554-Y556 PolarHBondContact O-N 3.26Å; Y556-P558 WeakPolarHBondContact O-CD 3.44Å
557	S	97.1	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.241	C	C	.	.			trans	-114.8	77.3	-176.5	-66.8	0	0	0	0	111.8	P537 E538 A539 H553 L554 M555 K559 A560 I561	P537-S557 WeakPolarHBondContact CB-OG 3.39Å; E538-S557 VanDerWaalsContact CD-CA 3.43Å; E538-S557 VanDerWaalsContact CD-CB 3.41Å; E538-S557 PolarHBondContact N-OG 3.45Å; E538-S557 WeakPolarHBondContact OE1-CA 3.48Å; E538-S557 VanDerWaalsContact OE2-CB 3.3Å; E538-S557 WeakPolarHBondContact OE2-CB 3.37Å; A539-S557 WeakPolarHBondContact CB-OG 3.11Å; A539-S557 PolarHBondContact N-OG 2.92Å; H553-S557 WeakPolarHBondContact O-CB 3.36Å; H553-S557 PolarHBondContact O-N 3.38Å; H553-S557 PolarHBondContact O-OG 3.49Å; L554-S557 WeakPolarHBondContact O-CB 3.38Å; L554-S557 PolarHBondContact O-N 2.86Å; M555-S557 PolarHBondContact O-N 3.24Å; S557-K559 VanDerWaalsContact C-N 3.29Å; S557-K559 PolarHBondContact O-N 3.4Å; S557-A560 PolarHBondContact O-N 3.4Å; S557-I561 WeakPolarHBondContact O-CG1 3.37Å; S557-I561 PolarHBondContact O-N 3.08Å
558	P	96.2	Very high	96.4	Very high	86 Å²	86	48.8 Å²	48.8	56%	0.558	23%	0.227	S	C	*	.	H	α-helix	trans	-61.5	-30.7	-176.7	25.1	-35.1	0	0	0	114	E538 Y556 K562	E538-P558 VanDerWaalsContact OE1-CD 3.22Å; E538-P558 WeakPolarHBondContact OE1-CD 3.43Å; Y556-P558 WeakPolarHBondContact O-CD 3.44Å; P558-K562 VanDerWaalsContact O-CB 3.28Å; P558-K562 WeakPolarHBondContact O-CB 3.21Å; P558-K562 PolarHBondContact O-N 3.31Å
559	K	96.6	Very high	96.4	Very high	161 Å²	161	57.3 Å²	57.3	70%	0.7	26%	0.258	S	S	*	.	H	α-helix	trans	-70	-45.8	176.2	-58.7	177.8	-179.7	176.2	0	110.4	E538 S557 K562 R563	E538-K559 WeakPolarHBondContact OE1-CA 3.29Å; E538-K559 VanDerWaalsContact OE1-CB 3.25Å; E538-K559 WeakPolarHBondContact OE1-CB 3.37Å; E538-K559 PolarHBondContact OE1-N 2.91Å; S557-K559 VanDerWaalsContact C-N 3.29Å; S557-K559 PolarHBondContact O-N 3.4Å; K559-K562 PolarHBondContact O-N 2.78Å; K559-R563 WeakPolarHBondContact O-CB 3.45Å; K559-R563 PolarHBondContact O-N 3.29Å
560	A	97.3	Very high	96.1	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-47.4	174.4	0	0	0	0	0	111.8	I535 E538 L554 S557 K562 R563 I564	I535-A560 HydrophobicContact CG2-CB 4.08Å; E538-A560 WeakPolarHBondContact OE2-CB 3.3Å; E538-A560 PolarHBondContact OE2-N 2.98Å; L554-A560 HydrophobicContact CD1-CB 3.82Å; S557-A560 PolarHBondContact O-N 3.4Å; A560-K562 PolarHBondContact O-N 3.28Å; A560-R563 WeakPolarHBondContact O-CB 3.29Å; A560-R563 PolarHBondContact O-N 3.4Å; A560-R563 VanDerWaalsContact O-N 3.17Å; A560-I564 WeakPolarHBondContact O-CG1 3.38Å; A560-I564 PolarHBondContact O-N 3.18Å
561	I	98.1	Very high	95.9	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-47.3	175.6	-70.2	-68.8	0	0	0	111.3	L554 S557 R563 I564 K565 V587 M590 L591	L554-I561 HydrophobicContact CD1-CD1 4Å; L554-I561 HydrophobicContact CD1-CG1 4.29Å; L554-I561 HydrophobicContact CD2-CD1 4.38Å; L554-I561 HydrophobicContact CG-CD1 3.79Å; L554-I561 HydrophobicContact CG-CG1 4.45Å; L554-I561 WeakPolarHBondContact O-CG1 3.33Å; S557-I561 WeakPolarHBondContact O-CG1 3.37Å; S557-I561 PolarHBondContact O-N 3.08Å; I561-R563 VanDerWaalsContact C-N 3.3Å; I561-R563 PolarHBondContact O-N 3.1Å; I561-I564 PolarHBondContact O-N 3.06Å; I561-K565 HydrophobicContact CG2-CD 4.5Å; I561-K565 WeakPolarHBondContact O-CG 3.14Å; I561-K565 PolarHBondContact O-N 3.15Å; I561-V587 HydrophobicContact CD1-CG1 4.21Å; I561-M590 HydrophobicContact CG1-CE 4.18Å; I561-M590 HydrophobicContact CG2-CB 4.41Å; I561-M590 HydrophobicContact CG2-CE 4.34Å; I561-L591 HydrophobicContact CD1-CD2 4.09Å; I561-L591 HydrophobicContact CD1-CG 4.2Å; I561-L591 HydrophobicContact CG2-CD2 4.09Å
562	K	97.8	Very high	95.8	Very high	143 Å²	143	67 Å²	67	62%	0.622	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-40.2	177.7	-174.1	179	-179.2	-178.6	0	111.8	P558 K559 A560 K565 N566	P558-K562 VanDerWaalsContact O-CB 3.28Å; P558-K562 WeakPolarHBondContact O-CB 3.21Å; P558-K562 PolarHBondContact O-N 3.31Å; K559-K562 PolarHBondContact O-N 2.78Å; A560-K562 PolarHBondContact O-N 3.28Å; K562-K565 PolarHBondContact O-N 3.46Å; K562-N566 VanDerWaalsContact O-CG 3.27Å; K562-N566 PolarHBondContact O-N 3.07Å; K562-N566 VanDerWaalsContact O-N 3.11Å
563	R	97.6	Very high	95.8	Very high	130 Å²	130	67.1 Å²	67.1	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-46.4	175.9	-176.7	177.6	177.6	-176.8	-2.7	111.3	I535 K559 A560 I561 N566 L567	I535-R563 HydrophobicContact CD1-CG 4.21Å; K559-R563 WeakPolarHBondContact O-CB 3.45Å; K559-R563 PolarHBondContact O-N 3.29Å; A560-R563 WeakPolarHBondContact O-CB 3.29Å; A560-R563 PolarHBondContact O-N 3.4Å; A560-R563 VanDerWaalsContact O-N 3.17Å; I561-R563 VanDerWaalsContact C-N 3.3Å; I561-R563 PolarHBondContact O-N 3.1Å; R563-N566 PolarHBondContact O-N 3.34Å; R563-L567 HydrophobicContact CG-CD1 4.29Å; R563-L567 WeakPolarHBondContact O-CG 3.39Å; R563-L567 PolarHBondContact O-N 2.84Å; R563-L567 VanDerWaalsContact O-N 3.12Å
564	I	97.9	Very high	95.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-47.7	177.5	-65	163.7	0	0	0	110.4	I452 I494 I535 L554 A560 I561 N566 L567 I568 L591	I452-I564 HydrophobicContact CD1-CG2 3.69Å; I494-I564 HydrophobicContact CD1-CD1 3.66Å; I494-I564 HydrophobicContact CD1-CG1 4.43Å; I535-I564 HydrophobicContact CD1-CG1 3.63Å; L554-I564 HydrophobicContact CD1-CD1 3.83Å; L554-I564 HydrophobicContact CD2-CD1 4.14Å; A560-I564 WeakPolarHBondContact O-CG1 3.38Å; A560-I564 PolarHBondContact O-N 3.18Å; I561-I564 PolarHBondContact O-N 3.06Å; I564-N566 VanDerWaalsContact C-N 3.26Å; I564-N566 PolarHBondContact O-N 2.73Å; I564-L567 WeakPolarHBondContact O-CB 3.45Å; I564-L567 PolarHBondContact O-N 3.37Å; I564-I568 HydrophobicContact CG2-CD1 4.39Å; I564-I568 HydrophobicContact CG2-CG2 4.36Å; I564-I568 WeakPolarHBondContact O-CG1 3.19Å; I564-I568 PolarHBondContact O-N 3.24Å; I564-L591 HydrophobicContact CB-CD2 3.97Å; I564-L591 HydrophobicContact CG2-CD1 3.89Å; I564-L591 HydrophobicContact CG2-CD2 3.69Å; I564-L591 HydrophobicContact CG2-CG 4.45Å
565	K	97.6	Very high	96	Very high	98 Å²	98	67.5 Å²	67.5	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-53.2	-42.4	176	-76.1	-171.1	178.2	-160.9	0	113.2	I561 K562 L567 R569 M590 L591	I561-K565 HydrophobicContact CG2-CD 4.5Å; I561-K565 WeakPolarHBondContact O-CG 3.14Å; I561-K565 PolarHBondContact O-N 3.15Å; K562-K565 PolarHBondContact O-N 3.46Å; K565-L567 VanDerWaalsContact C-N 3.35Å; K565-R569 PolarHBondContact O-N 3.44Å; K565-M590 WeakPolarHBondContact CE-O 3.18Å; K565-M590 PolarHBondContact NZ-O 2.7Å; K565-L591 HydrophobicContact CG-CD2 3.82Å
566	N	96.7	Very high	96.1	Very high	108 Å²	108	65.6 Å²	65.6	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-67.1	-37.7	178.6	-70.2	-13.1	0	0	0	111.9	K562 R563 I564	K562-N566 VanDerWaalsContact O-CG 3.27Å; K562-N566 PolarHBondContact O-N 3.07Å; K562-N566 VanDerWaalsContact O-N 3.11Å; R563-N566 PolarHBondContact O-N 3.34Å; I564-N566 VanDerWaalsContact C-N 3.26Å; I564-N566 PolarHBondContact O-N 2.73Å
567	L	96	Very high	96	Very high	68 Å²	68	60.2 Å²	60.2	36%	0.356	31%	0.305	S	S	.	.	H	α-helix	trans	-70.7	-33.6	179.7	-69.9	170.1	0	0	0	113	I492 K533 I535 R563 I564 K565	I492-L567 HydrophobicContact CD1-CB 4.01Å; I492-L567 HydrophobicContact CD1-CD1 4.13Å; K533-L567 HydrophobicContact CB-CD1 4.3Å; K533-L567 HydrophobicContact CG-CD1 4.24Å; K533-L567 HydrophobicContact CG-CD2 4.46Å; I535-L567 HydrophobicContact CD1-CD1 3.76Å; R563-L567 HydrophobicContact CG-CD1 4.29Å; R563-L567 WeakPolarHBondContact O-CG 3.39Å; R563-L567 PolarHBondContact O-N 2.84Å; R563-L567 VanDerWaalsContact O-N 3.12Å; I564-L567 WeakPolarHBondContact O-CB 3.45Å; I564-L567 PolarHBondContact O-N 3.37Å; K565-L567 VanDerWaalsContact C-N 3.35Å
568	I	96.1	Very high	95.8	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.067	31%	0.308	C	S	.	.	S	Bend	trans	-92.7	-0.7	-177.8	68.7	-179.3	0	0	0	113.8	T450 I452 I492 I564 G570 T571 A573 I593	T450-I568 HydrophobicContact CG2-CG2 4.15Å; I452-I568 HydrophobicContact CD1-CG2 4.11Å; I492-I568 HydrophobicContact CD1-CG2 3.92Å; I564-I568 HydrophobicContact CG2-CD1 4.39Å; I564-I568 HydrophobicContact CG2-CG2 4.36Å; I564-I568 WeakPolarHBondContact O-CG1 3.19Å; I564-I568 PolarHBondContact O-N 3.24Å; I568-G570 PolarHBondContact O-N 2.74Å; I568-G570 VanDerWaalsContact O-N 3.15Å; I568-T571 WeakPolarHBondContact CA-OG1 3.44Å; I568-T571 PolarHBondContact O-N 3.13Å; I568-T571 PolarHBondContact O-OG1 3.4Å; I568-A573 HydrophobicContact CB-CB 4.13Å; I568-A573 HydrophobicContact CG2-CB 4.05Å; I568-I593 HydrophobicContact CD1-CD1 4.27Å; I568-I593 HydrophobicContact CD1-CG2 3.96Å
569	R	94.1	Very high	95.6	Very high	216 Å²	216	56.6 Å²	56.6	82%	0.815	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	119.2	-174.9	-172.5	179.2	-178.5	-173.6	-0.9	110.6	K565 T571	K565-R569 PolarHBondContact O-N 3.44Å; R569-T571 VanDerWaalsContact C-N 3.28Å; R569-T571 PolarHBondContact O-N 3.19Å
570	G	88.5	Confident	95.4	Very high	89 Å²	89	49.5 Å²	49.5	92%	0.918	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	9.5	179	0	0	0	0	0	114.6	I568	I568-G570 PolarHBondContact O-N 2.74Å; I568-G570 VanDerWaalsContact O-N 3.15Å
571	T	89.6	Confident	95.3	Very high	59 Å²	59	51 Å²	51	36%	0.362	26%	0.258	S	S	.	.	S	Bend	trans	-115.1	145.7	174.5	64.1	0	0	0	0	110.5	I568 R569 A573	I568-T571 WeakPolarHBondContact CA-OG1 3.44Å; I568-T571 PolarHBondContact O-N 3.13Å; I568-T571 PolarHBondContact O-OG1 3.4Å; R569-T571 VanDerWaalsContact C-N 3.28Å; R569-T571 PolarHBondContact O-N 3.19Å; T571-A573 PolarHBondContact O-N 3.25Å
572	E	94.8	Very high	95	Very high	54 Å²	54	55.6 Å²	55.6	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.6	168.8	-65.3	-170.8	144.3	0	0	109.1	R443 S447 R449 T450	R443-E572 IonicContact CZ-OE1 3.68Å; R443-E572 IonicContact NE-OE1 2.63Å; R443-E572 PolarHBondContact NE-OE1 3.06Å; R443-E572 IonicContact NH2-OE1 3.02Å; R443-E572 PolarHBondContact NH2-OE1 3.23Å; S447-E572 PolarHBondContact OG-OE2 2.82Å; R449-E572 CarbonylContact C-O 3.59Å; R449-E572 VanDerWaalsContact CA-O 3.24Å; R449-E572 WeakPolarHBondContact CA-O 3.45Å; R449-E572 HydrophobicContact CB-CB 4.4Å; T450-E572 PolarHBondContact N-O 3.05Å
573	A	97	Very high	94.9	Very high	12 Å²	12	50 Å²	50	10%	0.099	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150	-178.3	0	0	0	0	0	112	T450 I568 T571 I593 P594	T450-A573 WeakPolarHBondContact O-CA 3.36Å; T450-A573 WeakPolarHBondContact O-CB 3.45Å; I568-A573 HydrophobicContact CB-CB 4.13Å; I568-A573 HydrophobicContact CG2-CB 4.05Å; T571-A573 PolarHBondContact O-N 3.25Å; A573-I593 HydrophobicContact CB-CG2 4.29Å; A573-P594 WeakPolarHBondContact O-CD 3.34Å
574	Y	97.8	Very high	94.9	Very high	8 Å²	8	43.9 Å²	43.9	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.8	173.1	63.6	-91.1	0	0	0	111.4	W441 I444 R449 T450 I451 I452 V576 P594 L596	W441-Y574 HydrophobicContact CZ3-CE1 4.3Å; I444-Y574 HydrophobicContact CG2-CD1 4.43Å; I444-Y574 HydrophobicContact CG2-CE1 4.43Å; R449-Y574 HydrophobicContact CG-CE1 4.36Å; T450-Y574 PolarHBondContact O-N 3.31Å; I451-Y574 WeakPolarHBondContact CD1-OH 3.49Å; I451-Y574 HydrophobicContact CG1-CE1 4.03Å; I451-Y574 HydrophobicContact CG1-CE2 4.2Å; I451-Y574 WeakPolarHBondContact CG1-OH 3.34Å; I451-Y574 HydrophobicContact CG2-CE2 4.09Å; I452-Y574 PolarHBondContact N-O 3.18Å; Y574-V576 HydrophobicContact CD2-CG2 3.98Å; Y574-V576 HydrophobicContact CE2-CG2 3.62Å; Y574-P594 WeakPolarHBondContact CA-O 3.4Å; Y574-L596 HydrophobicContact CD2-CB 3.9Å; Y574-L596 HydrophobicContact CE2-CB 4.14Å; Y574-L596 HydrophobicContact CE2-CD2 3.94Å
575	I	98.2	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	-179.9	-64.2	167.6	0	0	0	110.1	I452 I454 V587 A588 L591 I593 P594 I595 L596	I452-I575 HydrophobicContact CB-CG1 4.29Å; I452-I575 WeakPolarHBondContact O-CA 3.28Å; I454-I575 HydrophobicContact CD1-CD1 4.29Å; I454-I575 HydrophobicContact CD1-CG1 4.42Å; I454-I575 HydrophobicContact CD1-CG2 3.67Å; I454-I575 HydrophobicContact CG1-CG2 3.96Å; I575-V587 HydrophobicContact CD1-CG1 4.34Å; I575-A588 HydrophobicContact CD1-CB 3.98Å; I575-L591 HydrophobicContact CD1-CD1 4.32Å; I575-I593 HydrophobicContact CD1-CD1 3.92Å; I575-I593 HydrophobicContact CD1-CG1 3.99Å; I575-I593 HydrophobicContact CG1-CD1 3.62Å; I575-I593 HydrophobicContact CG1-CG1 4.08Å; I575-P594 PolarHBondContact N-O 3Å; I575-I595 HydrophobicContact CB-CB 4.43Å; I575-I595 HydrophobicContact CB-CG1 4.15Å; I575-I595 HydrophobicContact CB-CG2 4.3Å; I575-I595 HydrophobicContact CD1-CG1 4.29Å; I575-I595 HydrophobicContact CG2-CG2 4.28Å; I575-L596 PolarHBondContact O-N 3.07Å
576	V	97.4	Very high	94.8	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	106	164.7	177.7	0	0	0	0	107.7	I451 I452 H453 I454 Y574 L596 Y818 Y845	I451-V576 HydrophobicContact CG2-CB 4.31Å; I451-V576 HydrophobicContact CG2-CG2 3.67Å; I452-V576 PolarHBondContact O-N 3.19Å; H453-V576 WeakPolarHBondContact CA-O 3.29Å; I454-V576 PolarHBondContact N-O 2.91Å; Y574-V576 HydrophobicContact CD2-CG2 3.98Å; Y574-V576 HydrophobicContact CE2-CG2 3.62Å; V576-L596 HydrophobicContact CG2-CB 4.33Å; V576-L596 HydrophobicContact CG2-CD2 4.19Å; V576-Y818 HydrophobicContact CG1-CD2 3.99Å; V576-Y818 HydrophobicContact CG1-CE2 3.63Å; V576-Y818 HydrophobicContact CG2-CE2 4.33Å; V576-Y845 HydrophobicContact CG1-CD2 4.13Å
577	S	94.7	Very high	94.8	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	173.8	179.2	-158.4	0	0	0	0	112.2	I454 R480 D584	I454-S577 CarbonylContact O-C 3.54Å; I454-S577 VanDerWaalsContact O-C 3.24Å; I454-S577 WeakPolarHBondContact O-CA 3.21Å; I454-S577 PolarHBondContact O-OG 3.12Å; R480-S577 PolarHBondContact NH2-O 2.83Å; S577-D584 WeakPolarHBondContact CB-OD1 3.44Å; S577-D584 PolarHBondContact OG-OD1 2.76Å
578	G	91.8	Very high	94.9	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-87.1	169.6	0	0	0	0	0	110.4	I454 S456 A844 Y845	I454-G578 PolarHBondContact O-N 3.18Å; S456-G578 WeakPolarHBondContact O-CA 3.48Å; G578-A844 VanDerWaalsContact O-CA 3.29Å; G578-A844 WeakPolarHBondContact O-CA 3.44Å; G578-A844 WeakPolarHBondContact O-CB 3.34Å; G578-Y845 PolarHBondContact O-N 3.41Å
579	L	92.9	Very high	95	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121	166.6	175.1	68.3	0	0	0	108.4	S456 G458 Y459 H581 A844	S456-L579 PolarHBondContact O-N 3.14Å; G458-L579 WeakPolarHBondContact CA-O 3.5Å; G458-L579 PolarHBondContact N-O 3.19Å; Y459-L579 HydrophobicContact CD1-CD2 3.43Å; Y459-L579 VanDerWaalsContact CD1-CD2 3.43Å; Y459-L579 HydrophobicContact CE1-CD2 3.45Å; Y459-L579 VanDerWaalsContact CE1-CD2 3.45Å; Y459-L579 HydrophobicContact CG-CD2 4.07Å; L579-H581 PolarHBondContact O-N 2.99Å; L579-A844 HydrophobicContact CB-CB 4.16Å; L579-A844 HydrophobicContact CD1-CB 4.29Å
580	L	92.6	Very high	95.1	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.058	15%	0.152	C	C	.	.			trans	-65.9	126.7	-172.5	-136.1	74.8	0	0	0	112.1	F430 D584 L585 I595 S598 P600 H604	F430-L580 HydrophobicContact CE2-CD2 4.41Å; L580-D584 HydrophobicContact CD1-CB 4.28Å; L580-D584 HydrophobicContact CG-CB 4.22Å; L580-L585 HydrophobicContact CD2-CD2 4.2Å; L580-I595 HydrophobicContact CD1-CG2 3.64Å; L580-I595 HydrophobicContact CD2-CD1 4.43Å; L580-I595 HydrophobicContact CD2-CG2 4.32Å; L580-S598 WeakPolarHBondContact CD2-O 3.37Å; L580-P600 HydrophobicContact CB-CG 4.38Å; L580-P600 HydrophobicContact CD2-CG 3.98Å; L580-P600 HydrophobicContact CG-CG 4.3Å; L580-H604 PolarHBondContact O-NE2 3.14Å
581	H	93.4	Very high	95.5	Very high	35 Å²	35	21.8 Å²	21.8	16%	0.162	11%	0.11	C	C	.	.			trans	-113.3	165.4	173.6	-174.8	-109.7	0	0	0	110.8	G458 L579 D583 D584	G458-H581 PolarHBondContact O-CD2 2.98Å; L579-H581 PolarHBondContact O-N 2.99Å; H581-D583 IonicContact CE1-OD1 3.81Å; H581-D583 IonicContact CE1-OD2 3.09Å; H581-D583 PolarHBondContact CE1-OD2 2.82Å; H581-D583 VanDerWaalsContact CE1-OD2 3.3Å; H581-D583 WeakPolarHBondContact ND1-CB 3.46Å; H581-D583 PolarHBondContact ND1-N 3.47Å; H581-D583 VanDerWaalsContact ND1-N 3.18Å; H581-D583 IonicContact ND1-OD1 3.25Å; H581-D583 IonicContact ND1-OD2 2.74Å; H581-D583 PolarHBondContact ND1-OD2 3.03Å; H581-D583 PolarHBondContact O-N 3.02Å; H581-D584 WeakPolarHBondContact CA-OD2 3.38Å; H581-D584 VanDerWaalsContact CB-OD2 3.28Å; H581-D584 WeakPolarHBondContact CB-OD2 3.38Å; H581-D584 PolarHBondContact N-OD2 2.86Å; H581-D584 WeakPolarHBondContact O-CB 3.39Å; H581-D584 PolarHBondContact O-N 3.25Å
582	R	93.6	Very high	95.9	Very high	106 Å²	106	24.9 Å²	24.9	40%	0.4	13%	0.125	S	C	.	.	H	α-helix	trans	-58.3	-30.6	175.2	-68.5	178.3	172.8	162.1	-3.3	112.8	D584 L585 A586 E601	R582-D584 VanDerWaalsContact C-N 3.33Å; R582-L585 WeakPolarHBondContact O-CB 3.21Å; R582-L585 PolarHBondContact O-N 3.27Å; R582-A586 PolarHBondContact O-N 3.02Å; R582-E601 IonicContact CZ-OE1 2.57Å; R582-E601 IonicContact NE-OE1 3.36Å; R582-E601 IonicContact NH2-OE1 3.78Å; R582-E601 PolarHBondContact NH2-OE1 3.32Å
583	D	94.9	Very high	96	Very high	26 Å²	26	22.9 Å²	22.9	14%	0.139	12%	0.116	C	C	.	.	H	α-helix	trans	-75.2	-22.9	179.3	-61.7	-16.1	0	0	0	112.2	A551 T552 M555 H581 L585 A586 V587	A551-D583 HydrophobicContact CB-CB 4.24Å; T552-D583 WeakPolarHBondContact CB-OD2 3.2Å; T552-D583 PolarHBondContact OG1-OD2 3.18Å; M555-D583 HydrophobicContact SD-CB 4.46Å; H581-D583 IonicContact CE1-OD1 3.81Å; H581-D583 IonicContact CE1-OD2 3.09Å; H581-D583 PolarHBondContact CE1-OD2 2.82Å; H581-D583 VanDerWaalsContact CE1-OD2 3.3Å; H581-D583 WeakPolarHBondContact ND1-CB 3.46Å; H581-D583 PolarHBondContact ND1-N 3.47Å; H581-D583 VanDerWaalsContact ND1-N 3.18Å; H581-D583 IonicContact ND1-OD1 3.25Å; H581-D583 IonicContact ND1-OD2 2.74Å; H581-D583 PolarHBondContact ND1-OD2 3.03Å; H581-D583 PolarHBondContact O-N 3.02Å; D583-L585 VanDerWaalsContact C-N 3.26Å; D583-L585 PolarHBondContact O-N 3.07Å; D583-A586 PolarHBondContact O-N 2.91Å; D583-V587 WeakPolarHBondContact O-CG2 3.36Å; D583-V587 PolarHBondContact O-N 3.35Å
584	D	96.6	Very high	96	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-37.7	170.2	-65.9	-97.3	0	0	0	110.7	A551 S577 L580 H581 R582 A586 V587 A588 I595	A551-D584 HydrophobicContact CB-CB 4.35Å; A551-D584 VanDerWaalsContact CB-CG 3.5Å; A551-D584 WeakPolarHBondContact CB-OD2 3.47Å; S577-D584 WeakPolarHBondContact CB-OD1 3.44Å; S577-D584 PolarHBondContact OG-OD1 2.76Å; L580-D584 HydrophobicContact CD1-CB 4.28Å; L580-D584 HydrophobicContact CG-CB 4.22Å; H581-D584 WeakPolarHBondContact CA-OD2 3.38Å; H581-D584 VanDerWaalsContact CB-OD2 3.28Å; H581-D584 WeakPolarHBondContact CB-OD2 3.38Å; H581-D584 PolarHBondContact N-OD2 2.86Å; H581-D584 WeakPolarHBondContact O-CB 3.39Å; H581-D584 PolarHBondContact O-N 3.25Å; R582-D584 VanDerWaalsContact C-N 3.33Å; D584-A586 VanDerWaalsContact C-N 3.33Å; D584-A586 PolarHBondContact O-N 3.49Å; D584-V587 PolarHBondContact O-N 2.9Å; D584-A588 WeakPolarHBondContact O-CB 3.33Å; D584-A588 PolarHBondContact O-N 3.46Å; D584-I595 HydrophobicContact CB-CD1 4.2Å
585	L	97.3	Very high	96	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-39.2	175.6	-50.7	-170	0	0	0	111.5	H426 L427 F430 L580 R582 D583 A588 D589 I595 P600	H426-L585 HydrophobicContact CB-CB 3.95Å; L427-L585 HydrophobicContact CB-CD1 4.47Å; L427-L585 HydrophobicContact CD1-CD1 4.13Å; F430-L585 HydrophobicContact CB-CD1 4.43Å; F430-L585 HydrophobicContact CB-CD2 3.98Å; F430-L585 HydrophobicContact CD2-CD2 3.54Å; F430-L585 HydrophobicContact CE2-CD2 4.17Å; F430-L585 HydrophobicContact CG-CD2 3.75Å; L580-L585 HydrophobicContact CD2-CD2 4.2Å; R582-L585 WeakPolarHBondContact O-CB 3.21Å; R582-L585 PolarHBondContact O-N 3.27Å; D583-L585 VanDerWaalsContact C-N 3.26Å; D583-L585 PolarHBondContact O-N 3.07Å; L585-A588 PolarHBondContact O-N 2.82Å; L585-D589 PolarHBondContact O-N 3.06Å; L585-I595 HydrophobicContact CD2-CD1 3.76Å; L585-P600 HydrophobicContact CD1-CG 3.92Å; L585-P600 HydrophobicContact CD2-CG 4.01Å; L585-P600 HydrophobicContact CG-CG 3.91Å
586	A	96.6	Very high	95.9	Very high	8 Å²	8	23.4 Å²	23.4	7%	0.066	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-43.2	176	0	0	0	0	0	111.3	M555 R582 D583 D584 A588 D589 M590	M555-A586 HydrophobicContact SD-CB 3.84Å; R582-A586 PolarHBondContact O-N 3.02Å; D583-A586 PolarHBondContact O-N 2.91Å; D584-A586 VanDerWaalsContact C-N 3.33Å; D584-A586 PolarHBondContact O-N 3.49Å; A586-A588 VanDerWaalsContact C-N 3.34Å; A586-A588 PolarHBondContact O-N 2.89Å; A586-D589 WeakPolarHBondContact O-CB 3.23Å; A586-D589 PolarHBondContact O-N 3.3Å; A586-M590 VanDerWaalsContact O-CG 3.26Å; A586-M590 WeakPolarHBondContact O-CG 3.37Å; A586-M590 PolarHBondContact O-N 3.32Å
587	V	97.6	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-43	173.8	169.7	0	0	0	0	111.1	I454 A551 L554 M555 I561 I575 D583 D584 D589 M590 L591	I454-V587 HydrophobicContact CD1-CG1 4.13Å; A551-V587 WeakPolarHBondContact O-CG2 3.4Å; L554-V587 HydrophobicContact CB-CG2 4.34Å; L554-V587 HydrophobicContact CD2-CG1 3.74Å; L554-V587 HydrophobicContact CD2-CG2 4.47Å; L554-V587 HydrophobicContact CG-CG1 4.28Å; L554-V587 HydrophobicContact CG-CG2 4.35Å; M555-V587 HydrophobicContact CB-CG2 4Å; I561-V587 HydrophobicContact CD1-CG1 4.21Å; I575-V587 HydrophobicContact CD1-CG1 4.34Å; D583-V587 WeakPolarHBondContact O-CG2 3.36Å; D583-V587 PolarHBondContact O-N 3.35Å; D584-V587 PolarHBondContact O-N 2.9Å; V587-D589 VanDerWaalsContact C-N 3.35Å; V587-D589 PolarHBondContact O-N 2.96Å; V587-M590 WeakPolarHBondContact O-CB 3.32Å; V587-M590 PolarHBondContact O-N 3.16Å; V587-L591 HydrophobicContact CG1-CD1 3.89Å; V587-L591 HydrophobicContact CG1-CG 4.41Å; V587-L591 WeakPolarHBondContact O-CB 3.28Å; V587-L591 WeakPolarHBondContact O-CG 3.42Å; V587-L591 PolarHBondContact O-N 3.21Å
588	A	97.7	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.5	0	0	0	0	0	112.5	I575 D584 L585 A586 L591 D592 I593 I595	I575-A588 HydrophobicContact CD1-CB 3.98Å; D584-A588 WeakPolarHBondContact O-CB 3.33Å; D584-A588 PolarHBondContact O-N 3.46Å; L585-A588 PolarHBondContact O-N 2.82Å; A586-A588 VanDerWaalsContact C-N 3.34Å; A586-A588 PolarHBondContact O-N 2.89Å; A588-L591 PolarHBondContact O-N 3.13Å; A588-D592 WeakPolarHBondContact O-CA 3.32Å; A588-D592 PolarHBondContact O-N 3.41Å; A588-I593 PolarHBondContact O-N 2.64Å; A588-I595 HydrophobicContact CB-CD1 3.69Å; A588-I595 HydrophobicContact CB-CG1 3.63Å
589	D	97.5	Very high	95.9	Very high	31 Å²	31	26.3 Å²	26.3	17%	0.166	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-40.7	171.8	-93.2	10.8	0	0	0	112.4	H426 N429 R433 L585 A586 V587 L591 D592	H426-D589 WeakPolarHBondContact CA-OD2 3.38Å; H426-D589 IonicContact CE1-OD2 3.63Å; H426-D589 IonicContact CG-OD2 2.66Å; H426-D589 IonicContact ND1-OD2 3.01Å; H426-D589 PolarHBondContact ND1-OD2 3.25Å; N429-D589 WeakPolarHBondContact CB-OD1 3.2Å; N429-D589 PolarHBondContact ND2-OD1 3.38Å; N429-D589 PolarHBondContact ND2-OD2 2.65Å; R433-D589 IonicContact CZ-OD1 2.73Å; R433-D589 IonicContact NH1-OD1 3.7Å; R433-D589 PolarHBondContact NH1-OD1 2.99Å; R433-D589 IonicContact NH2-OD1 2.98Å; R433-D589 PolarHBondContact NH2-OD1 3.15Å; L585-D589 PolarHBondContact O-N 3.06Å; A586-D589 WeakPolarHBondContact O-CB 3.23Å; A586-D589 PolarHBondContact O-N 3.3Å; V587-D589 VanDerWaalsContact C-N 3.35Å; V587-D589 PolarHBondContact O-N 2.96Å; D589-L591 VanDerWaalsContact C-N 3.31Å; D589-L591 PolarHBondContact O-N 2.94Å; D589-D592 PolarHBondContact O-N 3.29Å
590	M	97.1	Very high	96	Very high	71 Å²	71	26.3 Å²	26.3	35%	0.35	13%	0.134	S	C	.	.	H	α-helix	trans	-63.2	-41.2	176.7	-71.3	173.8	84.7	0	0	110.7	M555 I561 K565 A586 V587	M555-M590 HydrophobicContact CG-SD 4.06Å; I561-M590 HydrophobicContact CG1-CE 4.18Å; I561-M590 HydrophobicContact CG2-CB 4.41Å; I561-M590 HydrophobicContact CG2-CE 4.34Å; K565-M590 WeakPolarHBondContact CE-O 3.18Å; K565-M590 PolarHBondContact NZ-O 2.7Å; A586-M590 VanDerWaalsContact O-CG 3.26Å; A586-M590 WeakPolarHBondContact O-CG 3.37Å; A586-M590 PolarHBondContact O-N 3.32Å; V587-M590 WeakPolarHBondContact O-CB 3.32Å; V587-M590 PolarHBondContact O-N 3.16Å
591	L	97.3	Very high	96	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-84.5	-15.2	-178.9	-66.3	177.7	0	0	0	114.2	I452 I561 I564 K565 I575 V587 A588 D589 I593	I452-L591 HydrophobicContact CD1-CD1 4.25Å; I561-L591 HydrophobicContact CD1-CD2 4.09Å; I561-L591 HydrophobicContact CD1-CG 4.2Å; I561-L591 HydrophobicContact CG2-CD2 4.09Å; I564-L591 HydrophobicContact CB-CD2 3.97Å; I564-L591 HydrophobicContact CG2-CD1 3.89Å; I564-L591 HydrophobicContact CG2-CD2 3.69Å; I564-L591 HydrophobicContact CG2-CG 4.45Å; K565-L591 HydrophobicContact CG-CD2 3.82Å; I575-L591 HydrophobicContact CD1-CD1 4.32Å; V587-L591 HydrophobicContact CG1-CD1 3.89Å; V587-L591 HydrophobicContact CG1-CG 4.41Å; V587-L591 WeakPolarHBondContact O-CB 3.28Å; V587-L591 WeakPolarHBondContact O-CG 3.42Å; V587-L591 PolarHBondContact O-N 3.21Å; A588-L591 PolarHBondContact O-N 3.13Å; D589-L591 VanDerWaalsContact C-N 3.31Å; D589-L591 PolarHBondContact O-N 2.94Å; L591-I593 HydrophobicContact CB-CD1 3.87Å; L591-I593 HydrophobicContact CB-CG1 3.76Å; L591-I593 HydrophobicContact CD1-CD1 3.95Å
592	D	96.3	Very high	96	Very high	124 Å²	124	31.2 Å²	31.2	66%	0.663	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	49.2	-174.3	-163.4	31.6	0	0	0	113.9	R433 A588 D589	R433-D592 IonicContact NH1-OD1 3.78Å; A588-D592 WeakPolarHBondContact O-CA 3.32Å; A588-D592 PolarHBondContact O-N 3.41Å; D589-D592 PolarHBondContact O-N 3.29Å
593	I	97	Very high	96	Very high	13 Å²	13	26.3 Å²	26.3	7%	0.067	14%	0.14	C	C	.	.			trans	-136.2	153.9	-179	58.9	-179.8	0	0	0	111.5	R433 I452 I568 A573 I575 A588 L591	R433-I593 PolarHBondContact NE-O 2.94Å; I452-I593 HydrophobicContact CD1-CD1 3.44Å; I452-I593 VanDerWaalsContact CD1-CD1 3.44Å; I452-I593 HydrophobicContact CG1-CD1 4.49Å; I568-I593 HydrophobicContact CD1-CD1 4.27Å; I568-I593 HydrophobicContact CD1-CG2 3.96Å; A573-I593 HydrophobicContact CB-CG2 4.29Å; I575-I593 HydrophobicContact CD1-CD1 3.92Å; I575-I593 HydrophobicContact CD1-CG1 3.99Å; I575-I593 HydrophobicContact CG1-CD1 3.62Å; I575-I593 HydrophobicContact CG1-CG1 4.08Å; A588-I593 PolarHBondContact O-N 2.64Å; L591-I593 HydrophobicContact CB-CD1 3.87Å; L591-I593 HydrophobicContact CB-CG1 3.76Å; L591-I593 HydrophobicContact CD1-CD1 3.95Å
594	P	97.4	Very high	95.9	Very high	21 Å²	21	28 Å²	28	14%	0.136	15%	0.147	C	C	.	.			trans	-73.5	161.6	176.1	30.5	-35.6	0	0	0	112.4	R433 L437 A573 Y574 I575	R433-P594 HydrophobicContact CB-CB 4.07Å; L437-P594 HydrophobicContact CB-CB 3.92Å; L437-P594 HydrophobicContact CB-CG 4.22Å; L437-P594 HydrophobicContact CD1-CB 4.45Å; L437-P594 HydrophobicContact CD1-CG 3.99Å; L437-P594 HydrophobicContact CD2-CB 4.07Å; L437-P594 HydrophobicContact CD2-CG 4.41Å; L437-P594 HydrophobicContact CG-CB 4.37Å; L437-P594 HydrophobicContact CG-CG 4.43Å; A573-P594 WeakPolarHBondContact O-CD 3.34Å; Y574-P594 WeakPolarHBondContact CA-O 3.4Å; I575-P594 PolarHBondContact N-O 3Å
595	I	97.6	Very high	95.7	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-111.5	134.5	170.8	-51.5	176.7	0	0	0	107.7	F430 I575 L580 D584 L585 A588 G597	F430-I595 HydrophobicContact CD2-CB 4.41Å; F430-I595 HydrophobicContact CD2-CD1 4.18Å; F430-I595 HydrophobicContact CD2-CG1 4.46Å; F430-I595 HydrophobicContact CE2-CB 4.09Å; F430-I595 HydrophobicContact CE2-CD1 4.42Å; I575-I595 HydrophobicContact CB-CB 4.43Å; I575-I595 HydrophobicContact CB-CG1 4.15Å; I575-I595 HydrophobicContact CB-CG2 4.3Å; I575-I595 HydrophobicContact CD1-CG1 4.29Å; I575-I595 HydrophobicContact CG2-CG2 4.28Å; L580-I595 HydrophobicContact CD1-CG2 3.64Å; L580-I595 HydrophobicContact CD2-CD1 4.43Å; L580-I595 HydrophobicContact CD2-CG2 4.32Å; D584-I595 HydrophobicContact CB-CD1 4.2Å; L585-I595 HydrophobicContact CD2-CD1 3.76Å; A588-I595 HydrophobicContact CB-CD1 3.69Å; A588-I595 HydrophobicContact CB-CG1 3.63Å; I595-G597 PolarHBondContact O-N 2.92Å
596	L	96.9	Very high	95.6	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-82.7	91.3	166.2	177.1	63.1	0	0	0	108.6	W441 Y574 I575 V576 P763 V816 Y818	W441-L596 HydrophobicContact CH2-CD2 4.26Å; Y574-L596 HydrophobicContact CD2-CB 3.9Å; Y574-L596 HydrophobicContact CE2-CB 4.14Å; Y574-L596 HydrophobicContact CE2-CD2 3.94Å; I575-L596 PolarHBondContact O-N 3.07Å; V576-L596 HydrophobicContact CG2-CB 4.33Å; V576-L596 HydrophobicContact CG2-CD2 4.19Å; L596-P763 HydrophobicContact CD1-CG 3.47Å; L596-P763 VanDerWaalsContact CD1-CG 3.47Å; L596-V816 HydrophobicContact CD1-CG1 4.38Å; L596-Y818 HydrophobicContact CD2-CE2 3.8Å
597	G	94.9	Very high	95.4	Very high	14 Å²	14	33.9 Å²	33.9	14%	0.144	18%	0.177	C	C	.	.	S	Bend	trans	175.8	165.1	-179.3	0	0	0	0	0	112.7	F430 I595 V816	F430-G597 WeakPolarHBondContact CZ-O 3.44Å; I595-G597 PolarHBondContact O-N 2.92Å; G597-V816 CarbonylContact C-O 3.29Å; G597-V816 VanDerWaalsContact CA-O 3.25Å; G597-V816 WeakPolarHBondContact CA-O 3.29Å
598	S	93.7	Very high	95.2	Very high	9 Å²	9	35 Å²	35	6%	0.063	18%	0.184	C	C	.	.			trans	-74.1	166.1	175	-53.5	0	0	0	0	112.9	L580 V815 V816	L580-S598 WeakPolarHBondContact CD2-O 3.37Å; S598-V815 WeakPolarHBondContact OG-CA 3.46Å; S598-V816 PolarHBondContact N-O 2.98Å; S598-V816 PolarHBondContact OG-N 3.47Å; S598-V816 PolarHBondContact OG-O 3.08Å
599	E	94.8	Very high	95	Very high	51 Å²	51	37.3 Å²	37.3	24%	0.238	19%	0.194	C	C	.	.			trans	-55.6	138	169.3	-69.9	-174.3	-173.2	0	0	111.4	L427 F430 R431 E601 L602 A603	L427-E599 HydrophobicContact CD1-CG 4.11Å; F430-E599 HydrophobicContact CD1-CG 4.11Å; F430-E599 HydrophobicContact CE1-CB 4.44Å; F430-E599 HydrophobicContact CE1-CG 3.52Å; F430-E599 HydrophobicContact CZ-CG 4.46Å; R431-E599 WeakPolarHBondContact CG-OE1 3.17Å; R431-E599 IonicContact CZ-OE1 3.96Å; R431-E599 IonicContact CZ-OE2 3.97Å; R431-E599 IonicContact NE-OE1 2.67Å; R431-E599 PolarHBondContact NE-OE1 3.27Å; R431-E599 IonicContact NE-OE2 3.6Å; R431-E599 IonicContact NH2-OE1 3.57Å; R431-E599 PolarHBondContact NH2-OE1 3.37Å; R431-E599 VanDerWaalsContact NH2-OE1 3.15Å; R431-E599 IonicContact NH2-OE2 3.92Å; R431-E599 PolarHBondContact NH2-OE2 3.16Å; E599-E601 VanDerWaalsContact C-N 3.31Å; E599-E601 PolarHBondContact O-N 3.24Å; E599-L602 HydrophobicContact CB-CB 4.17Å; E599-L602 WeakPolarHBondContact O-CB 3.27Å; E599-L602 PolarHBondContact O-N 3.12Å; E599-A603 PolarHBondContact O-N 2.96Å
600	P	94.4	Very high	94.8	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-56.3	-40.6	-176.4	-27.9	34.2	0	0	0	114.1	L580 L585 L602 A603 H604	L580-P600 HydrophobicContact CB-CG 4.38Å; L580-P600 HydrophobicContact CD2-CG 3.98Å; L580-P600 HydrophobicContact CG-CG 4.3Å; L585-P600 HydrophobicContact CD1-CG 3.92Å; L585-P600 HydrophobicContact CD2-CG 4.01Å; L585-P600 HydrophobicContact CG-CG 3.91Å; P600-L602 VanDerWaalsContact C-N 3.3Å; P600-L602 PolarHBondContact O-N 2.88Å; P600-A603 PolarHBondContact O-N 2.67Å; P600-H604 WeakPolarHBondContact O-CB 3.19Å; P600-H604 PolarHBondContact O-CD2 3.38Å; P600-H604 PolarHBondContact O-N 2.81Å
601	E	93.3	Very high	94.7	Very high	116 Å²	116	32.5 Å²	32.5	54%	0.542	17%	0.169	S	C	.	.	H	α-helix	trans	-66	-36.1	-179.9	-62.7	-172	169.1	0	0	111.7	R582 E599 L605	R582-E601 IonicContact CZ-OE1 2.57Å; R582-E601 IonicContact NE-OE1 3.36Å; R582-E601 IonicContact NH2-OE1 3.78Å; R582-E601 PolarHBondContact NH2-OE1 3.32Å; E599-E601 VanDerWaalsContact C-N 3.31Å; E599-E601 PolarHBondContact O-N 3.24Å; E601-L605 WeakPolarHBondContact O-CB 3.16Å; E601-L605 PolarHBondContact O-N 2.87Å
602	L	93.9	Very high	94.6	Very high	34 Å²	34	32 Å²	32	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-45	175.2	-167.4	145	0	0	0	111.4	E599 P600 H604 L605 Y606 R813 V815 L843	E599-L602 HydrophobicContact CB-CB 4.17Å; E599-L602 WeakPolarHBondContact O-CB 3.27Å; E599-L602 PolarHBondContact O-N 3.12Å; P600-L602 VanDerWaalsContact C-N 3.3Å; P600-L602 PolarHBondContact O-N 2.88Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 3.29Å; L602-L605 PolarHBondContact O-N 3.32Å; L602-Y606 HydrophobicContact CD1-CE2 4.33Å; L602-Y606 HydrophobicContact CD2-CD2 3.66Å; L602-Y606 HydrophobicContact CD2-CE2 3.98Å; L602-Y606 HydrophobicContact CG-CD2 3.85Å; L602-Y606 HydrophobicContact CG-CE2 3.81Å; L602-Y606 PolarHBondContact O-N 3.18Å; L602-R813 WeakPolarHBondContact CD1-O 3.3Å; L602-V815 HydrophobicContact CD2-CG2 3.65Å; L602-L843 HydrophobicContact CD2-CD1 4.19Å
603	A	93.1	Very high	94.5	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-57.2	-47.2	174.9	0	0	0	0	0	111.3	E599 P600 S607 L843	E599-A603 PolarHBondContact O-N 2.96Å; P600-A603 PolarHBondContact O-N 2.67Å; A603-S607 WeakPolarHBondContact O-CB 3.5Å; A603-S607 PolarHBondContact O-N 3.32Å; A603-S607 VanDerWaalsContact O-N 3.07Å; A603-S607 PolarHBondContact O-OG 3.1Å; A603-L843 HydrophobicContact CB-CB 4.32Å
604	H	92.6	Very high	94.3	Very high	61 Å²	61	30.5 Å²	30.5	28%	0.282	15%	0.152	S	C	.	.	H	α-helix	trans	-66.2	-39.6	177.8	-75.2	-56.9	0	0	0	113.1	G458 L580 P600 L602 T608	G458-H604 PolarHBondContact O-CE1 3.25Å; G458-H604 PolarHBondContact O-NE2 3Å; L580-H604 PolarHBondContact O-NE2 3.14Å; P600-H604 WeakPolarHBondContact O-CB 3.19Å; P600-H604 PolarHBondContact O-CD2 3.38Å; P600-H604 PolarHBondContact O-N 2.81Å; L602-H604 VanDerWaalsContact C-N 3.34Å; L602-H604 PolarHBondContact O-N 3.29Å; H604-T608 WeakPolarHBondContact O-CG2 3.39Å
605	L	93.3	Very high	94.3	Very high	77 Å²	77	29.5 Å²	29.5	40%	0.403	15%	0.145	S	C	.	.	H	α-helix	trans	-63.7	-53	179.5	179.1	64.5	0	0	0	111.6	E601 L602 S607 T608 G611	E601-L605 WeakPolarHBondContact O-CB 3.16Å; E601-L605 PolarHBondContact O-N 2.87Å; L602-L605 PolarHBondContact O-N 3.32Å; L605-S607 VanDerWaalsContact C-N 3.31Å; L605-S607 PolarHBondContact O-N 3.05Å; L605-T608 PolarHBondContact O-N 3.23Å; L605-T608 PolarHBondContact O-OG1 3.4Å; L605-G611 WeakPolarHBondContact O-CA 3.32Å
606	Y	94.3	Very high	94.2	Very high	37 Å²	37	29.4 Å²	29.4	15%	0.145	15%	0.145	C	C	.	.	H	α-helix	trans	-81.4	-9.5	-175.8	-66	-56.3	0	0	0	114.2	L602 T608 G611 V615 R813 V815 L843	L602-Y606 HydrophobicContact CD1-CE2 4.33Å; L602-Y606 HydrophobicContact CD2-CD2 3.66Å; L602-Y606 HydrophobicContact CD2-CE2 3.98Å; L602-Y606 HydrophobicContact CG-CD2 3.85Å; L602-Y606 HydrophobicContact CG-CE2 3.81Å; L602-Y606 PolarHBondContact O-N 3.18Å; Y606-T608 VanDerWaalsContact C-N 3.32Å; Y606-G611 WeakPolarHBondContact CD1-O 3.44Å; Y606-V615 HydrophobicContact CD1-CG2 3.48Å; Y606-V615 VanDerWaalsContact CD1-CG2 3.48Å; Y606-V615 HydrophobicContact CE1-CG2 3.91Å; Y606-V615 HydrophobicContact CG-CG2 4.03Å; Y606-R813 HydrophobicContact CE2-CB 4.01Å; Y606-R813 HydrophobicContact CE2-CG 4.45Å; Y606-R813 VanDerWaalsContact CZ-CD 3.47Å; Y606-R813 WeakPolarHBondContact OH-CD 3.48Å; Y606-V815 HydrophobicContact CD2-CG2 4.48Å; Y606-L843 HydrophobicContact CD2-CD1 4.41Å
607	S	92.2	Very high	94	Very high	25 Å²	25	33.5 Å²	33.5	18%	0.175	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.5	168.7	-55.4	0	0	0	0	113	A603 L605 L843	A603-S607 WeakPolarHBondContact O-CB 3.5Å; A603-S607 PolarHBondContact O-N 3.32Å; A603-S607 VanDerWaalsContact O-N 3.07Å; A603-S607 PolarHBondContact O-OG 3.1Å; L605-S607 VanDerWaalsContact C-N 3.31Å; L605-S607 PolarHBondContact O-N 3.05Å; S607-L843 PolarHBondContact OG-N 3.22Å
608	T	93.6	Very high	93.9	Very high	24 Å²	24	35.2 Å²	35.2	15%	0.147	18%	0.176	C	C	.	.	S	Bend	trans	-74.3	158	168.3	72.5	0	0	0	0	111	H604 L605 Y606 G611 G612 D658	H604-T608 WeakPolarHBondContact O-CG2 3.39Å; L605-T608 PolarHBondContact O-N 3.23Å; L605-T608 PolarHBondContact O-OG1 3.4Å; Y606-T608 VanDerWaalsContact C-N 3.32Å; T608-G611 PolarHBondContact O-N 3.36Å; T608-G611 PolarHBondContact OG1-N 3.44Å; T608-G612 PolarHBondContact O-N 3.18Å; T608-D658 VanDerWaalsContact CA-O 3.24Å; T608-D658 WeakPolarHBondContact CA-O 3.33Å; T608-D658 HydrophobicContact CG2-CB 4.19Å
609	K	93.8	Very high	93.9	Very high	49 Å²	49	35.4 Å²	35.4	21%	0.213	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-47	177.7	-58.5	-56.3	-177.7	-175	0	111.5	G612 K613 K656 M657 D658 V742	K609-G612 PolarHBondContact O-N 3.12Å; K609-K613 PolarHBondContact O-N 2.69Å; K609-K656 HydrophobicContact CG-CB 4.19Å; K609-M657 WeakPolarHBondContact CG-O 3.4Å; K609-D658 PolarHBondContact N-O 2.78Å; K609-D658 PolarHBondContact N-OD1 3.02Å; K609-V742 HydrophobicContact CB-CB 4.3Å; K609-V742 HydrophobicContact CB-CG2 3.6Å
610	S	94.4	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-40.5	175.7	-53.4	0	0	0	0	111.8	K613 R614 D629 D658 V742	S610-K613 WeakPolarHBondContact O-CB 3.27Å; S610-K613 PolarHBondContact O-N 3.25Å; S610-R614 PolarHBondContact O-N 3.06Å; S610-D629 WeakPolarHBondContact CB-OD1 3.45Å; S610-D629 PolarHBondContact OG-N 2.71Å; S610-D629 VanDerWaalsContact OG-N 3.14Å; S610-D658 WeakPolarHBondContact CB-OD1 3.33Å; S610-D658 PolarHBondContact N-OD1 3.15Å; S610-D658 PolarHBondContact OG-OD1 3.13Å; S610-D658 PolarHBondContact OG-OD2 3.27Å; S610-V742 VanDerWaalsContact N-CG2 3.33Å; S610-V742 VanDerWaalsContact OG-CG2 3.28Å; S610-V742 WeakPolarHBondContact OG-CG2 3.41Å
611	G	94.3	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-42.6	177.5	0	0	0	0	0	113.2	L605 Y606 T608 K613 R614 V615	L605-G611 WeakPolarHBondContact O-CA 3.32Å; Y606-G611 WeakPolarHBondContact CD1-O 3.44Å; T608-G611 PolarHBondContact O-N 3.36Å; T608-G611 PolarHBondContact OG1-N 3.44Å; G611-K613 VanDerWaalsContact C-N 3.35Å; G611-K613 PolarHBondContact O-N 3.33Å; G611-R614 PolarHBondContact O-N 3.27Å; G611-V615 PolarHBondContact O-N 2.71Å
612	G	94.5	Very high	93.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-41.2	175.9	0	0	0	0	0	112.6	T608 K609 R614 V615 F616	T608-G612 PolarHBondContact O-N 3.18Å; K609-G612 PolarHBondContact O-N 3.12Å; G612-R614 VanDerWaalsContact C-N 3.34Å; G612-R614 PolarHBondContact O-N 3Å; G612-V615 WeakPolarHBondContact O-CA 3.29Å; G612-V615 WeakPolarHBondContact O-CB 3.32Å; G612-V615 PolarHBondContact O-N 2.65Å; G612-F616 WeakPolarHBondContact O-CD2 3.34Å; G612-F616 WeakPolarHBondContact O-CG 3.44Å; G612-F616 PolarHBondContact O-N 2.96Å; G612-F616 VanDerWaalsContact O-N 3.08Å
613	K	94.3	Very high	94	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.057	20%	0.203	C	C	.	.	H	α-helix	trans	-55	-46.7	175	-78.1	-78.8	-176.9	171.9	0	112.5	K609 S610 G611 V615 F616 D617 P624 V742 E744	K609-K613 PolarHBondContact O-N 2.69Å; S610-K613 WeakPolarHBondContact O-CB 3.27Å; S610-K613 PolarHBondContact O-N 3.25Å; G611-K613 VanDerWaalsContact C-N 3.35Å; G611-K613 PolarHBondContact O-N 3.33Å; K613-V615 PolarHBondContact O-N 3.01Å; K613-V615 VanDerWaalsContact O-N 3.12Å; K613-F616 WeakPolarHBondContact O-CA 3.47Å; K613-F616 WeakPolarHBondContact O-CB 3.49Å; K613-F616 PolarHBondContact O-N 3.28Å; K613-D617 VanDerWaalsContact O-CG 3.27Å; K613-D617 PolarHBondContact O-N 3.06Å; K613-P624 PolarHBondContact NZ-O 3.26Å; K613-V742 HydrophobicContact CG-CG1 4.45Å; K613-E744 WeakPolarHBondContact CE-OE1 3.24Å; K613-E744 IonicContact NZ-OE1 3.25Å; K613-E744 PolarHBondContact NZ-OE1 3.42Å
614	R	93.9	Very high	94.1	Very high	92 Å²	92	37.5 Å²	37.5	35%	0.347	20%	0.202	S	C	.	.	H	α-helix	trans	-58.5	-29.1	176.3	-60.4	176.7	-167.7	156.1	3.4	113.4	S610 G611 G612 S618 D629 R813	S610-R614 PolarHBondContact O-N 3.06Å; G611-R614 PolarHBondContact O-N 3.27Å; G612-R614 VanDerWaalsContact C-N 3.34Å; G612-R614 PolarHBondContact O-N 3Å; R614-S618 PolarHBondContact O-OG 3.24Å; R614-D629 IonicContact CZ-OD2 3.36Å; R614-D629 IonicContact NE-OD2 2.74Å; R614-D629 IonicContact NH2-OD1 3.84Å; R614-D629 PolarHBondContact NH2-OD1 3.11Å; R614-D629 IonicContact NH2-OD2 2.69Å; R614-D629 PolarHBondContact NH2-OD2 3.2Å; R614-R813 PolarHBondContact O-NH2 2.93Å
615	V	95.9	Very high	94.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-73.7	-46	174	-179.8	0	0	0	0	110	Y606 G611 G612 K613 D617 S618 A619 I806 A809 L841	Y606-V615 HydrophobicContact CD1-CG2 3.48Å; Y606-V615 VanDerWaalsContact CD1-CG2 3.48Å; Y606-V615 HydrophobicContact CE1-CG2 3.91Å; Y606-V615 HydrophobicContact CG-CG2 4.03Å; G611-V615 PolarHBondContact O-N 2.71Å; G612-V615 WeakPolarHBondContact O-CA 3.29Å; G612-V615 WeakPolarHBondContact O-CB 3.32Å; G612-V615 PolarHBondContact O-N 2.65Å; K613-V615 PolarHBondContact O-N 3.01Å; K613-V615 VanDerWaalsContact O-N 3.12Å; V615-D617 PolarHBondContact O-N 2.63Å; V615-S618 PolarHBondContact O-N 2.81Å; V615-S618 PolarHBondContact O-OG 2.75Å; V615-A619 PolarHBondContact O-N 2.75Å; V615-I806 HydrophobicContact CG1-CG2 4.41Å; V615-A809 HydrophobicContact CG1-CB 3.99Å; V615-L841 HydrophobicContact CB-CD2 4.01Å; V615-L841 HydrophobicContact CG1-CD2 4.08Å; V615-L841 HydrophobicContact CG2-CD2 3.88Å
616	F	96.3	Very high	94.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-43	179	-57.1	-35.9	0	0	0	113	G612 K613 S618 A619 N620 V621 V623 I806 I821 A838 G840 L841	G612-F616 WeakPolarHBondContact O-CD2 3.34Å; G612-F616 WeakPolarHBondContact O-CG 3.44Å; G612-F616 PolarHBondContact O-N 2.96Å; G612-F616 VanDerWaalsContact O-N 3.08Å; K613-F616 WeakPolarHBondContact O-CA 3.47Å; K613-F616 WeakPolarHBondContact O-CB 3.49Å; K613-F616 PolarHBondContact O-N 3.28Å; F616-S618 VanDerWaalsContact C-N 3.27Å; F616-S618 PolarHBondContact O-N 2.85Å; F616-A619 CarbonylContact O-C 3.41Å; F616-A619 WeakPolarHBondContact O-CA 3.46Å; F616-A619 WeakPolarHBondContact O-CB 3.45Å; F616-A619 PolarHBondContact O-N 3.19Å; F616-N620 PolarHBondContact O-N 3.07Å; F616-N620 VanDerWaalsContact O-N 3.1Å; F616-V621 HydrophobicContact CB-CG2 3.81Å; F616-V621 HydrophobicContact CD1-CG2 4.23Å; F616-V621 HydrophobicContact CG-CG2 4.32Å; F616-V623 HydrophobicContact CB-CG1 3.44Å; F616-V623 VanDerWaalsContact CB-CG1 3.44Å; F616-V623 HydrophobicContact CD2-CG1 4.04Å; F616-V623 HydrophobicContact CG-CG1 4.05Å; F616-I806 HydrophobicContact CD1-CD1 4.01Å; F616-I806 HydrophobicContact CD1-CG1 4.13Å; F616-I806 HydrophobicContact CD1-CG2 4.23Å; F616-I806 HydrophobicContact CE1-CD1 3.97Å; F616-I806 HydrophobicContact CE1-CG1 4.4Å; F616-I806 HydrophobicContact CE1-CG2 4.01Å; F616-I821 HydrophobicContact CE1-CG2 4.36Å; F616-A838 HydrophobicContact CD1-CB 3.85Å; F616-A838 HydrophobicContact CD2-CB 3.96Å; F616-A838 HydrophobicContact CE1-CB 3.9Å; F616-A838 HydrophobicContact CE2-CB 4Å; F616-A838 HydrophobicContact CG-CB 3.89Å; F616-A838 HydrophobicContact CZ-CB 3.96Å; F616-G840 WeakPolarHBondContact CZ-O 3.29Å; F616-L841 HydrophobicContact CE1-CB 4.24Å; F616-L841 HydrophobicContact CZ-CB 3.84Å
617	D	93.1	Very high	94.2	Very high	91 Å²	91	33.4 Å²	33.4	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-58.7	-41.6	177.8	-62.3	-24.8	0	0	0	111.1	K613 V615 A619 N620	K613-D617 VanDerWaalsContact O-CG 3.27Å; K613-D617 PolarHBondContact O-N 3.06Å; V615-D617 PolarHBondContact O-N 2.63Å; D617-A619 VanDerWaalsContact C-N 3.33Å; D617-A619 PolarHBondContact O-N 3.38Å; D617-N620 PolarHBondContact O-N 3Å
618	S	91.7	Very high	94.3	Very high	51 Å²	51	34.7 Å²	34.7	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-75.2	-20.5	176.2	70	0	0	0	0	114.8	R614 V615 F616 R813	R614-S618 PolarHBondContact O-OG 3.24Å; V615-S618 PolarHBondContact O-N 2.81Å; V615-S618 PolarHBondContact O-OG 2.75Å; F616-S618 VanDerWaalsContact C-N 3.27Å; F616-S618 PolarHBondContact O-N 2.85Å; S618-R813 PolarHBondContact OG-NH1 3.24Å; S618-R813 PolarHBondContact OG-NH2 2.82Å
619	A	94.6	Very high	94.3	Very high	12 Å²	12	35.8 Å²	35.8	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-81	-9.4	173.6	0	0	0	0	0	111.6	V615 F616 D617 V621 I806 A809	V615-A619 PolarHBondContact O-N 2.75Å; F616-A619 CarbonylContact O-C 3.41Å; F616-A619 WeakPolarHBondContact O-CA 3.46Å; F616-A619 WeakPolarHBondContact O-CB 3.45Å; F616-A619 PolarHBondContact O-N 3.19Å; D617-A619 VanDerWaalsContact C-N 3.33Å; D617-A619 PolarHBondContact O-N 3.38Å; A619-V621 HydrophobicContact CB-CG1 4.01Å; A619-V621 HydrophobicContact CB-CG2 4.26Å; A619-V621 PolarHBondContact O-N 3.1Å; A619-I806 HydrophobicContact CB-CG1 4.1Å; A619-A809 HydrophobicContact CB-CB 3.77Å
620	N	93.4	Very high	94.4	Very high	154 Å²	154	33.4 Å²	33.4	82%	0.824	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	40.3	-175.6	-162.2	46.5	0	0	0	112.2	F616 D617	F616-N620 PolarHBondContact O-N 3.07Å; F616-N620 VanDerWaalsContact O-N 3.1Å; D617-N620 PolarHBondContact O-N 3Å
621	V	94.9	Very high	94.4	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.097	22%	0.217	C	C	.	.			trans	-95.5	151.7	174.9	-63.6	0	0	0	0	109.8	F616 A619 V623 L802 Q805 I806 A838	F616-V621 HydrophobicContact CB-CG2 3.81Å; F616-V621 HydrophobicContact CD1-CG2 4.23Å; F616-V621 HydrophobicContact CG-CG2 4.32Å; A619-V621 HydrophobicContact CB-CG1 4.01Å; A619-V621 HydrophobicContact CB-CG2 4.26Å; A619-V621 PolarHBondContact O-N 3.1Å; V621-V623 HydrophobicContact CG2-CG1 4.42Å; V621-V623 PolarHBondContact O-N 3.26Å; V621-L802 HydrophobicContact CB-CD2 4.38Å; V621-L802 HydrophobicContact CG1-CD2 4.01Å; V621-Q805 HydrophobicContact CG1-CB 4.36Å; V621-I806 HydrophobicContact CG1-CD1 4.32Å; V621-I806 HydrophobicContact CG1-CG1 3.9Å; V621-I806 HydrophobicContact CG2-CD1 4.14Å; V621-I806 HydrophobicContact CG2-CG1 4.06Å; V621-A838 HydrophobicContact CG2-CB 4.06Å
622	A	94.3	Very high	94.5	Very high	45 Å²	45	41.5 Å²	41.5	37%	0.372	23%	0.234	S	C	.	.			trans	-63.2	131.9	175.3	0	0	0	0	0	110.3	W837 A838	A622-W837 WeakPolarHBondContact O-CA 3.45Å; A622-A838 PolarHBondContact O-N 2.63Å
623	V	95.4	Very high	94.5	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.206	26%	0.257	C	S	.	.			trans	-130.4	155.8	178.7	-68.1	0	0	0	0	109.4	F616 V621 A838	F616-V623 HydrophobicContact CB-CG1 3.44Å; F616-V623 VanDerWaalsContact CB-CG1 3.44Å; F616-V623 HydrophobicContact CD2-CG1 4.04Å; F616-V623 HydrophobicContact CG-CG1 4.05Å; V621-V623 HydrophobicContact CG2-CG1 4.42Å; V621-V623 PolarHBondContact O-N 3.26Å; V623-A838 HydrophobicContact CG1-CB 4.28Å
624	P	94.8	Very high	94.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.019	28%	0.284	C	S	.	.			trans	-60.6	134.9	172.5	-17.6	28.8	0	0	0	109.9	K613 G626 E744 A745 W837 A838 T839	K613-P624 PolarHBondContact NZ-O 3.26Å; P624-G626 PolarHBondContact O-N 2.91Å; P624-E744 HydrophobicContact CB-CB 4.17Å; P624-A745 HydrophobicContact CB-CB 4.37Å; P624-W837 HydrophobicContact CB-CD2 4.47Å; P624-W837 HydrophobicContact CB-CE3 3.79Å; P624-W837 HydrophobicContact CB-CZ3 4.13Å; P624-W837 HydrophobicContact CG-CB 4.14Å; P624-W837 HydrophobicContact CG-CD2 4.36Å; P624-W837 HydrophobicContact CG-CE3 3.83Å; P624-A838 WeakPolarHBondContact CD-O 3.24Å; P624-T839 HydrophobicContact CG-CG2 3.94Å
625	P	94.5	Very high	94.5	Very high	35 Å²	35	50.3 Å²	50.3	23%	0.227	28%	0.279	C	S	.	.	S	Bend	trans	-50.4	130.9	168.6	-26.4	33	0	0	0	110.1	I650 E744 A745	P625-I650 HydrophobicContact CB-CD1 4.47Å; P625-E744 CarbonylContact O-C 3.47Å; P625-A745 HydrophobicContact CB-CB 4.19Å; P625-A745 HydrophobicContact CG-CB 4.27Å; P625-A745 WeakPolarHBondContact O-CB 3.4Å; P625-A745 PolarHBondContact O-N 3.37Å
626	G	94.4	Very high	94.4	Very high	33 Å²	33	50.4 Å²	50.4	34%	0.34	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	179.1	-170.9	0	0	0	0	0	114	P624 I743	P624-G626 PolarHBondContact O-N 2.91Å; G626-I743 CarbonylContact C-O 3.47Å; G626-I743 WeakPolarHBondContact CA-O 3.46Å
627	I	94.6	Very high	94.4	Very high	22 Å²	22	51.4 Å²	51.4	11%	0.113	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.6	-175.7	-25.8	146.2	0	0	0	108.3	I630 Q639 L643 V742 I743	I627-I630 HydrophobicContact CB-CD1 4.35Å; I627-Q639 HydrophobicContact CD1-CB 3.57Å; I627-Q639 HydrophobicContact CG1-CB 4.36Å; I627-Q639 HydrophobicContact CG2-CB 4.21Å; I627-Q639 VanDerWaalsContact CG2-OE1 3.22Å; I627-L643 HydrophobicContact CD1-CB 4.33Å; I627-L643 HydrophobicContact CD1-CD2 3.93Å; I627-L643 HydrophobicContact CG1-CD1 3.87Å; I627-L643 HydrophobicContact CG1-CD2 3.9Å; I627-L643 HydrophobicContact CG1-CG 4.36Å; I627-V742 CarbonylContact O-C 3.41Å; I627-V742 VanDerWaalsContact O-CA 3.25Å; I627-V742 WeakPolarHBondContact O-CA 3.24Å; I627-V742 WeakPolarHBondContact O-CG1 3.42Å; I627-I743 HydrophobicContact CD1-CB 4.41Å; I627-I743 PolarHBondContact N-O 2.98Å; I627-I743 PolarHBondContact O-N 3.14Å
628	D	93.9	Very high	94.4	Very high	52 Å²	52	52 Å²	52	28%	0.278	28%	0.284	S	S	.	.			trans	-111.3	171.9	-177.4	58.7	-42.3	0	0	0	112.8	I630 V742	D628-I630 PolarHBondContact O-N 3.42Å; D628-V742 HydrophobicContact CB-CG1 4.45Å; D628-V742 HydrophobicContact CB-CG2 4.05Å
629	D	93.8	Very high	94.5	Very high	46 Å²	46	53 Å²	53	25%	0.246	28%	0.284	C	S	.	.			trans	55	46.4	176.6	-65.8	-40.3	0	0	0	114.7	S610 R614 Y631 Q635	S610-D629 WeakPolarHBondContact CB-OD1 3.45Å; S610-D629 PolarHBondContact OG-N 2.71Å; S610-D629 VanDerWaalsContact OG-N 3.14Å; R614-D629 IonicContact CZ-OD2 3.36Å; R614-D629 IonicContact NE-OD2 2.74Å; R614-D629 IonicContact NH2-OD1 3.84Å; R614-D629 PolarHBondContact NH2-OD1 3.11Å; R614-D629 IonicContact NH2-OD2 2.69Å; R614-D629 PolarHBondContact NH2-OD2 3.2Å; D629-Y631 HydrophobicContact CB-CE2 3.93Å; D629-Y631 WeakPolarHBondContact O-CD2 3.37Å; D629-Q635 PolarHBondContact O-NE2 3.47Å
630	I	95.6	Very high	94.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.			trans	-89.2	113.4	-179.9	-55.5	176.2	0	0	0	111.1	I627 D628 M636 F736 L737 G740 G741 I743	I627-I630 HydrophobicContact CB-CD1 4.35Å; D628-I630 PolarHBondContact O-N 3.42Å; I630-M636 HydrophobicContact CG2-CB 3.79Å; I630-M636 HydrophobicContact CG2-CE 4.14Å; I630-F736 HydrophobicContact CB-CE1 3.9Å; I630-F736 HydrophobicContact CB-CZ 4.29Å; I630-F736 HydrophobicContact CD1-CZ 4.49Å; I630-F736 HydrophobicContact CG2-CE1 3.85Å; I630-L737 HydrophobicContact CG2-CD2 4.37Å; I630-G740 WeakPolarHBondContact O-CA 3.36Å; I630-G741 PolarHBondContact N-O 3.41Å; I630-G741 VanDerWaalsContact N-O 3.13Å; I630-I743 HydrophobicContact CD1-CB 4.15Å; I630-I743 HydrophobicContact CD1-CD1 3.36Å; I630-I743 HydrophobicContact CD1-CG1 3.56Å
631	Y	95	Very high	94.6	Very high	119 Å²	119	45.1 Å²	45.1	47%	0.467	24%	0.24	S	C	.	.			trans	-120	-10.1	-178.9	-63.2	-81.9	0	0	0	114.3	D629	D629-Y631 HydrophobicContact CB-CE2 3.93Å; D629-Y631 WeakPolarHBondContact O-CD2 3.37Å
632	S	96.1	Very high	94.5	Very high	51 Å²	51	47.3 Å²	47.3	36%	0.357	25%	0.249	S	C	.	.			trans	-127.7	147.5	178.2	78.7	0	0	0	0	112.6	Q634 Q635 M636	S632-Q634 VanDerWaalsContact C-N 3.3Å; S632-Q634 PolarHBondContact O-N 2.85Å; S632-Q635 WeakPolarHBondContact OG-CB 3.07Å; S632-Q635 PolarHBondContact OG-N 3.36Å; S632-Q635 VanDerWaalsContact OG-N 3.16Å; S632-M636 WeakPolarHBondContact O-CB 3.33Å; S632-M636 PolarHBondContact O-N 2.65Å
633	Q	93.9	Very high	94.5	Very high	104 Å²	104	46 Å²	46	49%	0.486	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-35.5	177.8	-175.1	174.6	-20	0	0	111.7	M636 I637 L737	Q633-M636 WeakPolarHBondContact O-CB 3.22Å; Q633-M636 PolarHBondContact O-N 2.91Å; Q633-I637 WeakPolarHBondContact O-CG1 3.17Å; Q633-I637 PolarHBondContact O-N 2.93Å; Q633-L737 HydrophobicContact CB-CD1 4.04Å
634	Q	93.4	Very high	94.4	Very high	135 Å²	135	44.5 Å²	44.5	63%	0.631	23%	0.226	S	C	*	.	H	α-helix	trans	-64.1	-50.7	177.6	-178.8	175.4	-1.5	0	0	111.1	S632 M636 I637 E638	S632-Q634 VanDerWaalsContact C-N 3.3Å; S632-Q634 PolarHBondContact O-N 2.85Å; Q634-M636 VanDerWaalsContact C-N 3.27Å; Q634-M636 PolarHBondContact O-N 3.3Å; Q634-I637 PolarHBondContact O-N 2.98Å; Q634-E638 HydrophobicContact CG-CG 4.43Å; Q634-E638 WeakPolarHBondContact CG-OE1 3.44Å; Q634-E638 PolarHBondContact NE2-OE1 3.27Å; Q634-E638 WeakPolarHBondContact O-CG 3.49Å; Q634-E638 PolarHBondContact O-N 3.27Å
635	Q	94.1	Very high	94.3	Very high	52 Å²	52	44.4 Å²	44.4	24%	0.243	23%	0.225	C	C	.	.	H	α-helix	trans	-54.6	-44.8	174.5	179.3	-168.6	2.1	0	0	111.4	D629 S632 I637 Q639	D629-Q635 PolarHBondContact O-NE2 3.47Å; S632-Q635 WeakPolarHBondContact OG-CB 3.07Å; S632-Q635 PolarHBondContact OG-N 3.36Å; S632-Q635 VanDerWaalsContact OG-N 3.16Å; Q635-I637 PolarHBondContact O-N 3.24Å; Q635-Q639 HydrophobicContact CG-CG 4.31Å; Q635-Q639 VanDerWaalsContact O-CB 3.32Å; Q635-Q639 WeakPolarHBondContact O-CB 3.48Å; Q635-Q639 WeakPolarHBondContact O-CG 3.36Å; Q635-Q639 PolarHBondContact O-N 3.16Å
636	M	94.8	Very high	94.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-51.8	177.2	174.8	-178	-69.6	0	0	111.8	I630 S632 Q633 Q634 L640 F655 L714 W729 L733 F736 L737 I743	I630-M636 HydrophobicContact CG2-CB 3.79Å; I630-M636 HydrophobicContact CG2-CE 4.14Å; S632-M636 WeakPolarHBondContact O-CB 3.33Å; S632-M636 PolarHBondContact O-N 2.65Å; Q633-M636 WeakPolarHBondContact O-CB 3.22Å; Q633-M636 PolarHBondContact O-N 2.91Å; Q634-M636 VanDerWaalsContact C-N 3.27Å; Q634-M636 PolarHBondContact O-N 3.3Å; M636-L640 WeakPolarHBondContact O-CB 3.16Å; M636-L640 PolarHBondContact O-N 3.02Å; M636-F655 HydrophobicContact CE-CD1 4.35Å; M636-F655 HydrophobicContact SD-CE1 4.16Å; M636-L714 HydrophobicContact SD-CD1 4.41Å; M636-W729 HydrophobicContact SD-CZ2 4.39Å; M636-L733 HydrophobicContact CE-CD1 3.5Å; M636-L733 VanDerWaalsContact CE-CD1 3.5Å; M636-L733 HydrophobicContact SD-CD1 3.79Å; M636-F736 HydrophobicContact CE-CD1 3.5Å; M636-F736 VanDerWaalsContact CE-CD1 3.5Å; M636-F736 HydrophobicContact CE-CE1 3.24Å; M636-F736 HydrophobicContact CE-CZ 4.09Å; M636-L737 HydrophobicContact CE-CD2 4.13Å; M636-I743 HydrophobicContact CG-CD1 3.84Å
637	I	95.1	Very high	93.9	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-46.5	-176.2	-65.7	-63.1	0	0	0	110.8	Q633 Q634 Q635 S641 L710 A711 L714	Q633-I637 WeakPolarHBondContact O-CG1 3.17Å; Q633-I637 PolarHBondContact O-N 2.93Å; Q634-I637 PolarHBondContact O-N 2.98Å; Q635-I637 PolarHBondContact O-N 3.24Å; I637-S641 VanDerWaalsContact O-CB 3.26Å; I637-S641 WeakPolarHBondContact O-CB 3.32Å; I637-S641 PolarHBondContact O-N 2.85Å; I637-S641 PolarHBondContact O-OG 2.91Å; I637-L710 HydrophobicContact CD1-CB 4.35Å; I637-L710 HydrophobicContact CD1-CD2 3.97Å; I637-L710 HydrophobicContact CD1-CG 3.83Å; I637-L710 HydrophobicContact CG2-CD2 4.21Å; I637-A711 HydrophobicContact CD1-CB 4.03Å; I637-A711 HydrophobicContact CG1-CB 4.5Å; I637-L714 HydrophobicContact CD1-CD1 3.82Å
638	E	93.3	Very high	93.6	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-50.8	-179.4	-71.1	171.6	-175.3	0	0	111.4	Q634 S641 Q642	Q634-E638 HydrophobicContact CG-CG 4.43Å; Q634-E638 WeakPolarHBondContact CG-OE1 3.44Å; Q634-E638 PolarHBondContact NE2-OE1 3.27Å; Q634-E638 WeakPolarHBondContact O-CG 3.49Å; Q634-E638 PolarHBondContact O-N 3.27Å; E638-S641 PolarHBondContact O-N 2.95Å; E638-Q642 PolarHBondContact O-N 3.07Å; E638-Q642 VanDerWaalsContact O-N 3.12Å
639	Q	94.8	Very high	93.3	Very high	74 Å²	74	49.6 Å²	49.6	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-72.2	-39.2	-176.4	-65.4	-170.7	-41.7	0	0	112.3	I627 Q635 S641 Q642 L643	I627-Q639 HydrophobicContact CD1-CB 3.57Å; I627-Q639 HydrophobicContact CG1-CB 4.36Å; I627-Q639 HydrophobicContact CG2-CB 4.21Å; I627-Q639 VanDerWaalsContact CG2-OE1 3.22Å; Q635-Q639 HydrophobicContact CG-CG 4.31Å; Q635-Q639 VanDerWaalsContact O-CB 3.32Å; Q635-Q639 WeakPolarHBondContact O-CB 3.48Å; Q635-Q639 WeakPolarHBondContact O-CG 3.36Å; Q635-Q639 PolarHBondContact O-N 3.16Å; Q639-S641 VanDerWaalsContact C-N 3.31Å; Q639-S641 PolarHBondContact O-N 2.83Å; Q639-Q642 PolarHBondContact O-N 3.31Å; Q639-L643 VanDerWaalsContact O-CB 3.31Å; Q639-L643 WeakPolarHBondContact O-CB 3.3Å; Q639-L643 PolarHBondContact O-N 2.9Å
640	L	95.3	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-36.3	174.4	176.7	54.2	0	0	0	111.5	M636 Q642 L643 I644 W653 F655 I671 L710 L714 I743	M636-L640 WeakPolarHBondContact O-CB 3.16Å; M636-L640 PolarHBondContact O-N 3.02Å; L640-Q642 PolarHBondContact O-N 2.87Å; L640-L643 HydrophobicContact CD1-CD2 4.2Å; L640-L643 PolarHBondContact O-N 3.19Å; L640-I644 HydrophobicContact CD1-CD1 3.86Å; L640-I644 HydrophobicContact CD1-CG1 3.9Å; L640-I644 HydrophobicContact CG-CD1 3.8Å; L640-I644 HydrophobicContact CG-CG1 4.37Å; L640-I644 WeakPolarHBondContact O-CD1 3.29Å; L640-I644 WeakPolarHBondContact O-CG1 3.43Å; L640-I644 PolarHBondContact O-N 3.09Å; L640-W653 HydrophobicContact CD1-CD2 3.98Å; L640-W653 HydrophobicContact CD1-CE3 4.32Å; L640-W653 HydrophobicContact CD1-CG 4.15Å; L640-F655 HydrophobicContact CD2-CE1 3.99Å; L640-F655 HydrophobicContact CD2-CZ 3.73Å; L640-I671 HydrophobicContact CD1-CD1 4.17Å; L640-I671 HydrophobicContact CD2-CD1 3.82Å; L640-I671 HydrophobicContact CG-CD1 4.25Å; L640-L710 HydrophobicContact CB-CD2 4Å; L640-L710 HydrophobicContact CD2-CD1 4.1Å; L640-L710 HydrophobicContact CD2-CD2 3.98Å; L640-L710 HydrophobicContact CD2-CG 4.5Å; L640-L710 HydrophobicContact CG-CD1 4.44Å; L640-L710 HydrophobicContact CG-CD2 3.85Å; L640-L714 HydrophobicContact CD2-CD1 4.18Å; L640-I743 HydrophobicContact CB-CD1 4.42Å; L640-I743 HydrophobicContact CD1-CG2 4.02Å; L640-I743 HydrophobicContact CD2-CD1 4.34Å
641	S	94.6	Very high	92.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-42.2	175.2	-59.1	0	0	0	0	112.1	I637 E638 Q639 T645 S707 L710	I637-S641 VanDerWaalsContact O-CB 3.26Å; I637-S641 WeakPolarHBondContact O-CB 3.32Å; I637-S641 PolarHBondContact O-N 2.85Å; I637-S641 PolarHBondContact O-OG 2.91Å; E638-S641 PolarHBondContact O-N 2.95Å; Q639-S641 VanDerWaalsContact C-N 3.31Å; Q639-S641 PolarHBondContact O-N 2.83Å; S641-T645 PolarHBondContact O-N 3.12Å; S641-T645 VanDerWaalsContact O-N 3.11Å; S641-T645 PolarHBondContact O-OG1 3.15Å; S641-S707 WeakPolarHBondContact OG-CA 3.38Å; S641-L710 WeakPolarHBondContact OG-CD2 3.34Å
642	Q	93.4	Very high	92.9	Very high	61 Å²	61	49.6 Å²	49.6	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-48.2	173.2	-178.1	61.3	57.8	0	0	110.9	E638 Q639 L640 I644 T645 D646 L703	E638-Q642 PolarHBondContact O-N 3.07Å; E638-Q642 VanDerWaalsContact O-N 3.12Å; Q639-Q642 PolarHBondContact O-N 3.31Å; L640-Q642 PolarHBondContact O-N 2.87Å; Q642-I644 VanDerWaalsContact C-N 3.34Å; Q642-I644 PolarHBondContact O-N 3.37Å; Q642-T645 WeakPolarHBondContact O-CB 3.45Å; Q642-T645 PolarHBondContact O-N 3.24Å; Q642-D646 VanDerWaalsContact NE2-CG 3.3Å; Q642-D646 PolarHBondContact NE2-OD1 2.94Å; Q642-D646 VanDerWaalsContact NE2-OD1 3.11Å; Q642-D646 PolarHBondContact NE2-OD2 2.92Å; Q642-D646 PolarHBondContact O-N 2.97Å; Q642-L703 HydrophobicContact CB-CD1 4.19Å
643	L	93.8	Very high	92.9	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-39.6	-178.7	-163.1	85.1	0	0	0	112.9	I627 Q639 L640 H647 W653 I743	I627-L643 HydrophobicContact CD1-CB 4.33Å; I627-L643 HydrophobicContact CD1-CD2 3.93Å; I627-L643 HydrophobicContact CG1-CD1 3.87Å; I627-L643 HydrophobicContact CG1-CD2 3.9Å; I627-L643 HydrophobicContact CG1-CG 4.36Å; Q639-L643 VanDerWaalsContact O-CB 3.31Å; Q639-L643 WeakPolarHBondContact O-CB 3.3Å; Q639-L643 PolarHBondContact O-N 2.9Å; L640-L643 HydrophobicContact CD1-CD2 4.2Å; L640-L643 PolarHBondContact O-N 3.19Å; L643-H647 PolarHBondContact O-CD2 2.88Å; L643-H647 PolarHBondContact O-N 3.01Å; L643-H647 VanDerWaalsContact O-N 3.11Å; L643-W653 HydrophobicContact CB-CH2 4.33Å; L643-W653 HydrophobicContact CD2-CD2 4.46Å; L643-W653 HydrophobicContact CD2-CE3 3.61Å; L643-W653 HydrophobicContact CD2-CH2 3.27Å; L643-W653 HydrophobicContact CD2-CZ2 4.16Å; L643-W653 HydrophobicContact CD2-CZ3 2.98Å; L643-W653 HydrophobicContact CG-CH2 3.43Å; L643-W653 VanDerWaalsContact CG-CH2 3.43Å; L643-W653 HydrophobicContact CG-CZ2 4.26Å; L643-W653 HydrophobicContact CG-CZ3 3.7Å; L643-I743 HydrophobicContact CD2-CG2 4.35Å
644	I	93.5	Very high	92.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-43.5	173.8	-67.6	158.2	0	0	0	110.6	L640 Q642 D646 H647 L648 W653 I671 I706 L710	L640-I644 HydrophobicContact CD1-CD1 3.86Å; L640-I644 HydrophobicContact CD1-CG1 3.9Å; L640-I644 HydrophobicContact CG-CD1 3.8Å; L640-I644 HydrophobicContact CG-CG1 4.37Å; L640-I644 WeakPolarHBondContact O-CD1 3.29Å; L640-I644 WeakPolarHBondContact O-CG1 3.43Å; L640-I644 PolarHBondContact O-N 3.09Å; Q642-I644 VanDerWaalsContact C-N 3.34Å; Q642-I644 PolarHBondContact O-N 3.37Å; I644-D646 VanDerWaalsContact C-N 3.29Å; I644-D646 PolarHBondContact O-N 3.46Å; I644-H647 CarbonylContact O-C 3.33Å; I644-H647 PolarHBondContact O-N 2.66Å; I644-L648 WeakPolarHBondContact O-CD2 3.49Å; I644-L648 PolarHBondContact O-N 2.97Å; I644-W653 HydrophobicContact CG1-CZ2 4.15Å; I644-I671 HydrophobicContact CD1-CB 4.47Å; I644-I671 HydrophobicContact CD1-CD1 3.81Å; I644-I671 HydrophobicContact CD1-CG2 3.81Å; I644-I706 HydrophobicContact CD1-CG2 4.22Å; I644-I706 HydrophobicContact CG2-CD1 4.25Å; I644-L710 HydrophobicContact CD1-CD1 4.09Å; I644-L710 HydrophobicContact CD1-CD2 4.48Å
645	T	91.9	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-37.3	179.3	-52.2	0	0	0	0	112.1	S641 Q642 W693 Q699 A702 I706	S641-T645 PolarHBondContact O-N 3.12Å; S641-T645 VanDerWaalsContact O-N 3.11Å; S641-T645 PolarHBondContact O-OG1 3.15Å; Q642-T645 WeakPolarHBondContact O-CB 3.45Å; Q642-T645 PolarHBondContact O-N 3.24Å; T645-W693 HydrophobicContact CG2-CH2 4.42Å; T645-W693 HydrophobicContact CG2-CZ2 3.61Å; T645-W693 PolarHBondContact O-NE1 2.95Å; T645-Q699 HydrophobicContact CG2-CB 3.77Å; T645-Q699 HydrophobicContact CG2-CG 3.71Å; T645-A702 HydrophobicContact CG2-CB 4.32Å; T645-I706 WeakPolarHBondContact OG1-CD1 3.36Å
646	D	90.3	Very high	93.1	Very high	71 Å²	71	34.9 Å²	34.9	38%	0.38	16%	0.164	S	C	.	.	H	α-helix	trans	-74.4	-29.5	178.4	-69.7	-31.8	0	0	0	112.9	Q642 I644 Q699	Q642-D646 VanDerWaalsContact NE2-CG 3.3Å; Q642-D646 PolarHBondContact NE2-OD1 2.94Å; Q642-D646 VanDerWaalsContact NE2-OD1 3.11Å; Q642-D646 PolarHBondContact NE2-OD2 2.92Å; Q642-D646 PolarHBondContact O-N 2.97Å; I644-D646 VanDerWaalsContact C-N 3.29Å; I644-D646 PolarHBondContact O-N 3.46Å; D646-Q699 PolarHBondContact OD1-NE2 2.85Å; D646-Q699 PolarHBondContact OD1-OE1 3Å
647	H	90.2	Very high	93.1	Very high	55 Å²	55	35 Å²	35	26%	0.255	16%	0.164	S	C	.	.			trans	-130.7	62.6	-173.5	-59.2	-75.3	0	0	0	112.7	L643 I644 Q649 I650 W653	L643-H647 PolarHBondContact O-CD2 2.88Å; L643-H647 PolarHBondContact O-N 3.01Å; L643-H647 VanDerWaalsContact O-N 3.11Å; I644-H647 CarbonylContact O-C 3.33Å; I644-H647 PolarHBondContact O-N 2.66Å; H647-Q649 PolarHBondContact O-N 2.8Å; H647-I650 HydrophobicContact CB-CD1 3.4Å; H647-I650 HydrophobicContact CB-CG1 4.01Å; H647-I650 PolarHBondContact O-N 3.02Å; H647-I650 VanDerWaalsContact O-N 3.1Å; H647-W653 HydrophobicContact CB-CH2 4.5Å
648	L	88.7	Confident	92.9	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.079	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.2	-177.2	-64.5	172.1	0	0	0	114.2	I644 I650 Y678 V681 L682 W693	I644-L648 WeakPolarHBondContact O-CD2 3.49Å; I644-L648 PolarHBondContact O-N 2.97Å; L648-I650 VanDerWaalsContact C-N 3.3Å; L648-I650 PolarHBondContact O-N 2.94Å; L648-Y678 PolarHBondContact O-OH 3.44Å; L648-V681 HydrophobicContact CD1-CG1 4.07Å; L648-V681 HydrophobicContact CD2-CG1 3.58Å; L648-L682 HydrophobicContact CB-CD2 4.17Å; L648-L682 HydrophobicContact CD1-CD2 4.3Å; L648-W693 HydrophobicContact CD1-CZ2 4.09Å
649	Q	87.2	Confident	92.5	Very high	111 Å²	111	31.6 Å²	31.6	52%	0.519	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.7	178.5	70.5	-80.8	15.5	0	0	114.2	H647 Q651	H647-Q649 PolarHBondContact O-N 2.8Å; Q649-Q651 PolarHBondContact O-N 3.45Å
650	I	91.4	Very high	92	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.139	C	C	.	.			trans	-80.1	115.7	-174.8	-62.6	169.6	0	0	0	109.9	P625 H647 L648 R652 W653 P672 A745	P625-I650 HydrophobicContact CB-CD1 4.47Å; H647-I650 HydrophobicContact CB-CD1 3.4Å; H647-I650 HydrophobicContact CB-CG1 4.01Å; H647-I650 PolarHBondContact O-N 3.02Å; H647-I650 VanDerWaalsContact O-N 3.1Å; L648-I650 VanDerWaalsContact C-N 3.3Å; L648-I650 PolarHBondContact O-N 2.94Å; I650-R652 VanDerWaalsContact CG2-O 3.27Å; I650-R652 WeakPolarHBondContact CG2-O 3.17Å; I650-W653 HydrophobicContact CB-CH2 4.36Å; I650-W653 HydrophobicContact CB-CZ2 3.87Å; I650-W653 HydrophobicContact CD1-CH2 3.41Å; I650-W653 VanDerWaalsContact CD1-CH2 3.41Å; I650-W653 HydrophobicContact CD1-CZ2 3.76Å; I650-W653 HydrophobicContact CD1-CZ3 4.11Å; I650-W653 HydrophobicContact CG1-CZ2 4.43Å; I650-W653 HydrophobicContact CG2-CD2 4.14Å; I650-W653 HydrophobicContact CG2-CH2 4.23Å; I650-W653 HydrophobicContact CG2-CZ2 3.86Å; I650-W653 HydrophobicContact CG2-CZ3 4.5Å; I650-P672 VanDerWaalsContact O-CG 3.25Å; I650-P672 WeakPolarHBondContact O-CG 3.45Å; I650-A745 HydrophobicContact CD1-CB 3.48Å; I650-A745 VanDerWaalsContact CD1-CB 3.48Å; I650-A745 HydrophobicContact CG1-CB 4.29Å; I650-A745 HydrophobicContact CG2-CB 4.2Å
651	Q	90.6	Very high	91.1	Very high	96 Å²	96	30 Å²	30	45%	0.449	15%	0.146	S	C	.	.			trans	-77.6	-43	178.6	-65.2	-63.9	-19	0	0	112.8	Q649 D670 I671 P672	Q649-Q651 PolarHBondContact O-N 3.45Å; Q651-D670 CarbonylContact O-C 3.42Å; Q651-D670 VanDerWaalsContact O-CA 3.29Å; Q651-D670 WeakPolarHBondContact O-CA 3.15Å; Q651-I671 PolarHBondContact O-N 3.16Å; Q651-P672 WeakPolarHBondContact O-CD 3.2Å
652	R	94.1	Very high	90	Very high	64 Å²	64	33.8 Å²	33.8	24%	0.242	16%	0.16	C	C	.	.			trans	-118.5	133.6	-170.8	178	172.9	-68.4	164.2	0.9	111.2	I650 L654 F668 D670 F746	I650-R652 VanDerWaalsContact CG2-O 3.27Å; I650-R652 WeakPolarHBondContact CG2-O 3.17Å; R652-L654 HydrophobicContact CG-CD2 4.22Å; R652-F668 HydrophobicContact CG-CB 4.14Å; R652-F668 HydrophobicContact CG-CD2 4.41Å; R652-D670 WeakPolarHBondContact CB-OD1 3.07Å; R652-D670 VanDerWaalsContact CG-OD1 3.28Å; R652-D670 WeakPolarHBondContact CG-OD1 3.02Å; R652-D670 IonicContact CZ-OD1 3.75Å; R652-D670 IonicContact CZ-OD2 2.67Å; R652-D670 IonicContact NE-OD1 3.71Å; R652-D670 PolarHBondContact NE-OD1 3.13Å; R652-D670 IonicContact NE-OD2 3.13Å; R652-D670 IonicContact NH2-OD1 2.89Å; R652-D670 PolarHBondContact NH2-OD1 3.16Å; R652-D670 IonicContact NH2-OD2 3.03Å; R652-D670 PolarHBondContact NH2-OD2 2.54Å; R652-F746 HydrophobicContact CB-CB 3.64Å; R652-F746 HydrophobicContact CB-CD1 4.27Å; R652-F746 HydrophobicContact CB-CG 4.11Å; R652-F746 HydrophobicContact CG-CB 3.82Å; R652-F746 HydrophobicContact CG-CG 4.16Å; R652-F746 WeakPolarHBondContact O-CB 3.19Å; R652-F746 PolarHBondContact O-N 3.25Å
653	W	96	Very high	89.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.7	174.9	-67.8	92.3	0	0	0	110.4	L640 L643 I644 H647 I650 F655 F668 C669 I671 I743 A745	L640-W653 HydrophobicContact CD1-CD2 3.98Å; L640-W653 HydrophobicContact CD1-CE3 4.32Å; L640-W653 HydrophobicContact CD1-CG 4.15Å; L643-W653 HydrophobicContact CB-CH2 4.33Å; L643-W653 HydrophobicContact CD2-CD2 4.46Å; L643-W653 HydrophobicContact CD2-CE3 3.61Å; L643-W653 HydrophobicContact CD2-CH2 3.27Å; L643-W653 HydrophobicContact CD2-CZ2 4.16Å; L643-W653 HydrophobicContact CD2-CZ3 2.98Å; L643-W653 HydrophobicContact CG-CH2 3.43Å; L643-W653 VanDerWaalsContact CG-CH2 3.43Å; L643-W653 HydrophobicContact CG-CZ2 4.26Å; L643-W653 HydrophobicContact CG-CZ3 3.7Å; I644-W653 HydrophobicContact CG1-CZ2 4.15Å; H647-W653 HydrophobicContact CB-CH2 4.5Å; I650-W653 HydrophobicContact CB-CH2 4.36Å; I650-W653 HydrophobicContact CB-CZ2 3.87Å; I650-W653 HydrophobicContact CD1-CH2 3.41Å; I650-W653 VanDerWaalsContact CD1-CH2 3.41Å; I650-W653 HydrophobicContact CD1-CZ2 3.76Å; I650-W653 HydrophobicContact CD1-CZ3 4.11Å; I650-W653 HydrophobicContact CG1-CZ2 4.43Å; I650-W653 HydrophobicContact CG2-CD2 4.14Å; I650-W653 HydrophobicContact CG2-CH2 4.23Å; I650-W653 HydrophobicContact CG2-CZ2 3.86Å; I650-W653 HydrophobicContact CG2-CZ3 4.5Å; W653-F655 HydrophobicContact CB-CE2 4.46Å; W653-F668 CarbonylContact O-C 3.57Å; W653-F668 WeakPolarHBondContact O-CA 3.24Å; W653-C669 PolarHBondContact N-O 2.94Å; W653-C669 PolarHBondContact O-N 3.33Å; W653-I671 HydrophobicContact CB-CD1 4.03Å; W653-I671 HydrophobicContact CG-CD1 3.89Å; W653-I743 HydrophobicContact CE3-CG2 4.11Å; W653-A745 HydrophobicContact CH2-CB 4.46Å; W653-A745 HydrophobicContact CZ3-CB 3.94Å
654	L	95.6	Very high	88.4	Confident	8 Å²	8	32.3 Å²	32.3	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.5	179.3	-54.7	-176.3	0	0	0	110.3	R652 A667 F668 I743 E744 F746 F782	R652-L654 HydrophobicContact CG-CD2 4.22Å; L654-A667 CarbonylContact C-O 3.43Å; L654-A667 WeakPolarHBondContact CA-O 3.43Å; L654-F668 HydrophobicContact CD2-CB 3.69Å; L654-I743 CarbonylContact O-C 3.58Å; L654-I743 VanDerWaalsContact O-CA 3.24Å; L654-I743 WeakPolarHBondContact O-CA 3.34Å; L654-E744 PolarHBondContact N-O 2.96Å; L654-E744 PolarHBondContact O-N 3.45Å; L654-F746 HydrophobicContact CD1-CD2 4.16Å; L654-F746 HydrophobicContact CD2-CD2 4.16Å; L654-F746 HydrophobicContact CG-CB 4.35Å; L654-F746 HydrophobicContact CG-CD2 4.39Å; L654-F782 HydrophobicContact CD1-CD1 4.33Å; L654-F782 HydrophobicContact CD1-CE1 3.98Å; L654-F782 HydrophobicContact CD2-CD1 4.24Å; L654-F782 HydrophobicContact CD2-CE1 3.44Å; L654-F782 VanDerWaalsContact CD2-CE1 3.44Å; L654-F782 HydrophobicContact CD2-CE2 4.44Å; L654-F782 HydrophobicContact CD2-CZ 3.56Å; L654-F782 HydrophobicContact CG-CE1 4.36Å
655	F	96	Very high	88.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.5	173.4	-57.9	-101.3	0	0	0	107.6	M636 L640 W653 T666 A667 C669 L714 W729 F732 F736 I743	M636-F655 HydrophobicContact CE-CD1 4.35Å; M636-F655 HydrophobicContact SD-CE1 4.16Å; L640-F655 HydrophobicContact CD2-CE1 3.99Å; L640-F655 HydrophobicContact CD2-CZ 3.73Å; W653-F655 HydrophobicContact CB-CE2 4.46Å; F655-T666 CarbonylContact O-C 3.52Å; F655-T666 VanDerWaalsContact O-CA 3.27Å; F655-T666 WeakPolarHBondContact O-CA 3.31Å; F655-A667 HydrophobicContact CB-CB 4.27Å; F655-A667 PolarHBondContact N-O 2.87Å; F655-A667 PolarHBondContact O-N 3.27Å; F655-C669 HydrophobicContact CE2-CB 4.07Å; F655-L714 HydrophobicContact CE1-CD1 4.49Å; F655-L714 HydrophobicContact CE1-CD2 4.42Å; F655-L714 HydrophobicContact CE2-CD2 4.09Å; F655-L714 HydrophobicContact CZ-CD1 4.33Å; F655-L714 HydrophobicContact CZ-CD2 3.55Å; F655-W729 AromaticContact CD1-CH2 3.83Å; F655-W729 HydrophobicContact CD1-CH2 3.83Å; F655-W729 HydrophobicContact CD2-CH2 4.3Å; F655-W729 HydrophobicContact CD2-CZ3 4.42Å; F655-W729 HydrophobicContact CE1-CH2 4Å; F655-W729 HydrophobicContact CE2-CH2 4.48Å; F655-W729 HydrophobicContact CG-CH2 4Å; F655-W729 HydrophobicContact CG-CZ3 4.31Å; F655-W729 HydrophobicContact CZ-CH2 4.34Å; F655-F732 HydrophobicContact CB-CE1 3.93Å; F655-F732 HydrophobicContact CB-CZ 4.13Å; F655-F736 HydrophobicContact CB-CE2 4.21Å; F655-I743 HydrophobicContact CD1-CD1 3.73Å; F655-I743 HydrophobicContact CD1-CG1 3.56Å; F655-I743 HydrophobicContact CE1-CD1 3.52Å; F655-I743 HydrophobicContact CE1-CG1 3.8Å; F655-I743 HydrophobicContact CG-CG1 4.35Å
656	K	94.9	Very high	88.3	Confident	25 Å²	25	32.9 Å²	32.9	11%	0.109	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.6	-175	-62.5	178	179.7	173.8	0	110.4	K609 T666 G741 V742 E744	K609-K656 HydrophobicContact CG-CB 4.19Å; K656-T666 HydrophobicContact CG-CG2 4.31Å; K656-G741 CarbonylContact O-C 3.53Å; K656-G741 WeakPolarHBondContact O-CA 3.19Å; K656-V742 PolarHBondContact N-O 3.37Å; K656-V742 PolarHBondContact O-N 3.2Å; K656-E744 WeakPolarHBondContact CE-OE2 3.39Å; K656-E744 IonicContact NZ-OE2 2.74Å; K656-E744 PolarHBondContact NZ-OE2 2.83Å
657	M	93.5	Very high	88.5	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.5	174.7	-60.6	-173.7	-166.2	0	0	111.5	K609 E660 G665 F726 F732 T735 F736	K609-M657 WeakPolarHBondContact CG-O 3.4Å; M657-E660 HydrophobicContact CB-CB 4.02Å; M657-E660 HydrophobicContact CB-CG 3.74Å; M657-E660 HydrophobicContact CG-CG 4.38Å; M657-E660 HydrophobicContact SD-CG 3.92Å; M657-G665 PolarHBondContact N-O 3.19Å; M657-F726 HydrophobicContact CE-CD2 4.42Å; M657-F726 HydrophobicContact CE-CE1 3.94Å; M657-F726 HydrophobicContact CE-CE2 3.8Å; M657-F726 HydrophobicContact CE-CZ 3.53Å; M657-F726 HydrophobicContact SD-CE2 4.38Å; M657-F726 HydrophobicContact SD-CZ 3.98Å; M657-F732 HydrophobicContact CE-CB 4.45Å; M657-F732 HydrophobicContact CE-CD1 4.15Å; M657-F732 HydrophobicContact CE-CD2 3.36Å; M657-F732 HydrophobicContact CE-CE1 4.18Å; M657-F732 HydrophobicContact CE-CE2 3.42Å; M657-F732 VanDerWaalsContact CE-CE2 3.42Å; M657-F732 HydrophobicContact CE-CG 3.74Å; M657-F732 HydrophobicContact CE-CZ 3.82Å; M657-F732 VanDerWaalsContact CE-O 3.28Å; M657-F732 WeakPolarHBondContact CE-O 3.45Å; M657-F732 HydrophobicContact CG-CE2 4.5Å; M657-F732 HydrophobicContact CG-CZ 4.3Å; M657-T735 HydrophobicContact CE-CG2 4.22Å; M657-T735 HydrophobicContact SD-CG2 3.81Å; M657-F736 HydrophobicContact CE-CB 4.17Å; M657-F736 HydrophobicContact CG-CB 4.12Å; M657-F736 HydrophobicContact CG-CD2 3.85Å; M657-F736 HydrophobicContact CG-CG 4.44Å
658	D	91.9	Very high	88.7	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.037	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-46.3	-172.8	-93.4	-20.1	0	0	0	114.6	T608 K609 S610 G740	T608-D658 VanDerWaalsContact CA-O 3.24Å; T608-D658 WeakPolarHBondContact CA-O 3.33Å; T608-D658 HydrophobicContact CG2-CB 4.19Å; K609-D658 PolarHBondContact N-O 2.78Å; K609-D658 PolarHBondContact N-OD1 3.02Å; S610-D658 WeakPolarHBondContact CB-OD1 3.33Å; S610-D658 PolarHBondContact N-OD1 3.15Å; S610-D658 PolarHBondContact OG-OD1 3.13Å; S610-D658 PolarHBondContact OG-OD2 3.27Å; D658-G740 PolarHBondContact N-O 2.84Å
659	S	84.8	Confident	89	Confident	48 Å²	48	27.8 Å²	27.8	34%	0.336	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.9	-172.3	-62.5	0	0	0	0	113.8
660	E	83.7	Confident	89.3	Confident	11 Å²	11	24.2 Å²	24.2	5%	0.051	12%	0.119	C	C	.	.			trans	-94.4	148.9	-178.3	-69.2	-60.1	159.7	0	0	112.4	M657 R725	M657-E660 HydrophobicContact CB-CB 4.02Å; M657-E660 HydrophobicContact CB-CG 3.74Å; M657-E660 HydrophobicContact CG-CG 4.38Å; M657-E660 HydrophobicContact SD-CG 3.92Å; E660-R725 IonicContact OE1-CZ 3.34Å; E660-R725 IonicContact OE1-NH1 2.68Å; E660-R725 PolarHBondContact OE1-NH1 2.91Å; E660-R725 IonicContact OE1-NH2 3.12Å; E660-R725 PolarHBondContact OE1-NH2 3.14Å; E660-R725 IonicContact OE2-CZ 3.3Å; E660-R725 IonicContact OE2-NH1 3.39Å; E660-R725 PolarHBondContact OE2-NH1 2.9Å; E660-R725 IonicContact OE2-NH2 3.73Å
661	F	76.6	Confident	89.4	Confident	31 Å²	31	24 Å²	24	14%	0.136	12%	0.117	C	C	.	.			trans	-129.9	159.3	-173.3	65	-82.1	0	0	0	111.5	Y459 V463 I467 G663 N664	Y459-F661 HydrophobicContact CD2-CE1 4.31Å; Y459-F661 HydrophobicContact CE1-CD1 4.14Å; Y459-F661 HydrophobicContact CE2-CD1 4.22Å; Y459-F661 HydrophobicContact CE2-CE1 4.01Å; Y459-F661 HydrophobicContact CE2-CZ 4.23Å; Y459-F661 AromaticContact CZ-CD1 3.93Å; V463-F661 HydrophobicContact CG1-CD1 4.17Å; V463-F661 HydrophobicContact CG1-CE1 3.75Å; I467-F661 HydrophobicContact CD1-CE1 3.61Å; I467-F661 HydrophobicContact CD1-CZ 3.41Å; I467-F661 VanDerWaalsContact CD1-CZ 3.41Å; I467-F661 HydrophobicContact CG1-CE1 4.01Å; I467-F661 HydrophobicContact CG1-CZ 3.71Å; F661-G663 VanDerWaalsContact C-N 3.32Å; F661-G663 PolarHBondContact O-N 3.19Å; F661-N664 WeakPolarHBondContact O-CB 3.28Å; F661-N664 PolarHBondContact O-N 3.47Å; F661-N664 PolarHBondContact O-ND2 3.31Å; F661-N664 VanDerWaalsContact O-ND2 3.11Å
662	R	71.5	Confident	89.3	Confident	78 Å²	78	19.8 Å²	19.8	29%	0.294	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	44.2	178.7	-65.9	174.2	-176.7	170.4	4.7	113.7	N664 D847 Q905	R662-N664 PolarHBondContact O-N 2.96Å; R662-D847 IonicContact CZ-OD2 3.9Å; R662-D847 IonicContact NH2-OD2 3.59Å; R662-D847 PolarHBondContact NH2-OD2 3.36Å; R662-Q905 VanDerWaalsContact NH1-NE2 3.11Å; R662-Q905 VanDerWaalsContact NH2-NE2 3.19Å
663	G	73.9	Confident	89.1	Confident	12 Å²	12	20.7 Å²	20.7	12%	0.124	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	0.5	176.1	0	0	0	0	0	116.4	F661 G665 T666 F782	F661-G663 VanDerWaalsContact C-N 3.32Å; F661-G663 PolarHBondContact O-N 3.19Å; G663-G665 PolarHBondContact O-N 2.96Å; G663-T666 WeakPolarHBondContact O-CB 3.42Å; G663-T666 PolarHBondContact O-N 3.48Å; G663-F782 WeakPolarHBondContact CA-O 3.24Å
664	N	81.1	Confident	89	Confident	37 Å²	37	24.9 Å²	24.9	20%	0.198	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.4	-178.2	-72.2	-47.6	0	0	0	114	F661 R662 N722 F726	F661-N664 WeakPolarHBondContact O-CB 3.28Å; F661-N664 PolarHBondContact O-N 3.47Å; F661-N664 PolarHBondContact O-ND2 3.31Å; F661-N664 VanDerWaalsContact O-ND2 3.11Å; R662-N664 PolarHBondContact O-N 2.96Å; N664-N722 PolarHBondContact OD1-ND2 2.51Å; N664-F726 WeakPolarHBondContact O-CE2 3.37Å
665	G	88	Confident	88.8	Confident	2 Å²	2	25 Å²	25	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	23.8	177.4	0	0	0	0	0	113.4	M657 G663 F732	M657-G665 PolarHBondContact N-O 3.19Å; G663-G665 PolarHBondContact O-N 2.96Å; G665-F732 WeakPolarHBondContact O-CE2 3.48Å; G665-F732 WeakPolarHBondContact O-CZ 3.19Å
666	T	93.5	Very high	88.6	Confident	13 Å²	13	33.9 Å²	33.9	8%	0.08	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.5	177.4	-53.5	0	0	0	0	110.4	F655 K656 G663 V721 F782	F655-T666 CarbonylContact O-C 3.52Å; F655-T666 VanDerWaalsContact O-CA 3.27Å; F655-T666 WeakPolarHBondContact O-CA 3.31Å; K656-T666 HydrophobicContact CG-CG2 4.31Å; G663-T666 WeakPolarHBondContact O-CB 3.42Å; G663-T666 PolarHBondContact O-N 3.48Å; T666-V721 HydrophobicContact CG2-CG2 4Å; T666-V721 VanDerWaalsContact O-CB 3.31Å; T666-V721 WeakPolarHBondContact O-CB 3.24Å; T666-V721 VanDerWaalsContact O-CG2 3.32Å; T666-V721 WeakPolarHBondContact O-CG2 3.35Å; T666-V721 PolarHBondContact O-N 3.38Å; T666-F782 HydrophobicContact CG2-CB 4.21Å; T666-F782 HydrophobicContact CG2-CG 4.21Å
667	A	95.1	Very high	88.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.3	163.3	0	0	0	0	0	109	L654 F655 Q719 W729 F732	L654-A667 CarbonylContact C-O 3.43Å; L654-A667 WeakPolarHBondContact CA-O 3.43Å; F655-A667 HydrophobicContact CB-CB 4.27Å; F655-A667 PolarHBondContact N-O 2.87Å; F655-A667 PolarHBondContact O-N 3.27Å; A667-Q719 CarbonylContact C-O 3.58Å; A667-Q719 WeakPolarHBondContact CA-O 3.29Å; A667-Q719 WeakPolarHBondContact CB-O 3.19Å; A667-W729 HydrophobicContact CB-CE3 4.44Å; A667-W729 HydrophobicContact CB-CZ3 3.97Å; A667-F732 HydrophobicContact CB-CD1 4.03Å; A667-F732 HydrophobicContact CB-CD2 4.07Å; A667-F732 HydrophobicContact CB-CE1 3.63Å; A667-F732 HydrophobicContact CB-CE2 3.65Å; A667-F732 HydrophobicContact CB-CG 4.25Å; A667-F732 HydrophobicContact CB-CZ 3.43Å; A667-F732 VanDerWaalsContact CB-CZ 3.43Å
668	F	94.5	Very high	88.3	Confident	33 Å²	33	34.8 Å²	34.8	15%	0.145	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.5	175.6	67.5	-85.7	0	0	0	111.6	R652 W653 L654 Q719 V721 F782	R652-F668 HydrophobicContact CG-CB 4.14Å; R652-F668 HydrophobicContact CG-CD2 4.41Å; W653-F668 CarbonylContact O-C 3.57Å; W653-F668 WeakPolarHBondContact O-CA 3.24Å; L654-F668 HydrophobicContact CD2-CB 3.69Å; F668-Q719 HydrophobicContact CE1-CB 4.06Å; F668-Q719 HydrophobicContact CE2-CB 4.44Å; F668-Q719 HydrophobicContact CZ-CB 3.99Å; F668-Q719 PolarHBondContact N-O 3.39Å; F668-Q719 PolarHBondContact O-N 3.13Å; F668-V721 HydrophobicContact CD1-CG2 4.01Å; F668-V721 HydrophobicContact CE1-CG2 4.36Å; F668-F782 HydrophobicContact CB-CE2 4.39Å; F668-F782 HydrophobicContact CB-CZ 4.41Å; F668-F782 HydrophobicContact CD1-CD2 4.32Å; F668-F782 AromaticContact CD1-CE2 3.6Å; F668-F782 HydrophobicContact CD1-CE2 3.6Å; F668-F782 HydrophobicContact CD1-CZ 4.38Å; F668-F782 HydrophobicContact CE1-CE2 4.12Å; F668-F782 HydrophobicContact CG-CE2 4.08Å; F668-F782 HydrophobicContact CG-CZ 4.43Å
669	C	95.4	Very high	88.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	132.6	173.1	-166.7	0	0	0	0	110.8	W653 F655 I671 L714 A718	W653-C669 PolarHBondContact N-O 2.94Å; W653-C669 PolarHBondContact O-N 3.33Å; F655-C669 HydrophobicContact CE2-CB 4.07Å; C669-I671 VanDerWaalsContact C-N 3.3Å; C669-I671 HydrophobicContact CB-CG1 3.97Å; C669-I671 PolarHBondContact O-N 3.09Å; C669-I671 VanDerWaalsContact O-N 3.17Å; C669-L714 HydrophobicContact CB-CD2 4.06Å; C669-A718 HydrophobicContact CB-CB 4.18Å
670	D	94.1	Very high	88.7	Confident	35 Å²	35	44.1 Å²	44.1	19%	0.187	21%	0.207	C	C	.	.			trans	-89.2	65.4	178.3	-64.4	-25.4	0	0	0	110.4	Q651 R652 S673 Y674	Q651-D670 CarbonylContact O-C 3.42Å; Q651-D670 VanDerWaalsContact O-CA 3.29Å; Q651-D670 WeakPolarHBondContact O-CA 3.15Å; R652-D670 WeakPolarHBondContact CB-OD1 3.07Å; R652-D670 VanDerWaalsContact CG-OD1 3.28Å; R652-D670 WeakPolarHBondContact CG-OD1 3.02Å; R652-D670 IonicContact CZ-OD1 3.75Å; R652-D670 IonicContact CZ-OD2 2.67Å; R652-D670 IonicContact NE-OD1 3.71Å; R652-D670 PolarHBondContact NE-OD1 3.13Å; R652-D670 IonicContact NE-OD2 3.13Å; R652-D670 IonicContact NH2-OD1 2.89Å; R652-D670 PolarHBondContact NH2-OD1 3.16Å; R652-D670 IonicContact NH2-OD2 3.03Å; R652-D670 PolarHBondContact NH2-OD2 2.54Å; D670-S673 WeakPolarHBondContact O-CB 3.45Å; D670-S673 PolarHBondContact O-N 3.01Å; D670-S673 VanDerWaalsContact O-N 3.09Å; D670-Y674 HydrophobicContact CB-CE2 4.15Å; D670-Y674 WeakPolarHBondContact O-CD2 3.42Å; D670-Y674 WeakPolarHBondContact O-CE2 3.25Å
671	I	92.4	Very high	89	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.4	-48.9	-163.5	-58.8	175.6	0	0	0	113.7	L640 I644 Q651 W653 C669 S673 Y674 L675 L710 L714	L640-I671 HydrophobicContact CD1-CD1 4.17Å; L640-I671 HydrophobicContact CD2-CD1 3.82Å; L640-I671 HydrophobicContact CG-CD1 4.25Å; I644-I671 HydrophobicContact CD1-CB 4.47Å; I644-I671 HydrophobicContact CD1-CD1 3.81Å; I644-I671 HydrophobicContact CD1-CG2 3.81Å; Q651-I671 PolarHBondContact O-N 3.16Å; W653-I671 HydrophobicContact CB-CD1 4.03Å; W653-I671 HydrophobicContact CG-CD1 3.89Å; C669-I671 VanDerWaalsContact C-N 3.3Å; C669-I671 HydrophobicContact CB-CG1 3.97Å; C669-I671 PolarHBondContact O-N 3.09Å; C669-I671 VanDerWaalsContact O-N 3.17Å; I671-S673 PolarHBondContact O-N 2.94Å; I671-S673 VanDerWaalsContact O-N 3.12Å; I671-Y674 PolarHBondContact O-N 3.39Å; I671-L675 WeakPolarHBondContact O-CB 3.41Å; I671-L675 PolarHBondContact O-N 3.23Å; I671-L675 VanDerWaalsContact O-N 3.1Å; I671-L710 HydrophobicContact CD1-CD1 3.93Å; I671-L710 HydrophobicContact CG2-CD1 4.07Å; I671-L714 HydrophobicContact CD1-CD2 4.3Å
672	P	88.8	Confident	89.6	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-26.1	-179.7	-26.5	38.6	0	0	0	114.5	I650 Q651 Y674 Y678	I650-P672 VanDerWaalsContact O-CG 3.25Å; I650-P672 WeakPolarHBondContact O-CG 3.45Å; Q651-P672 WeakPolarHBondContact O-CD 3.2Å; P672-Y674 PolarHBondContact O-N 2.96Å; P672-Y678 HydrophobicContact CB-CD1 4.14Å; P672-Y678 HydrophobicContact CB-CD2 3.91Å; P672-Y678 HydrophobicContact CB-CE1 3.9Å; P672-Y678 HydrophobicContact CB-CE2 3.67Å; P672-Y678 HydrophobicContact CB-CG 4.15Å; P672-Y678 HydrophobicContact CG-CE2 4.19Å
673	S	90.4	Very high	90.5	Very high	83 Å²	83	49 Å²	49	58%	0.58	23%	0.233	S	C	*	.	H	α-helix	trans	-69	-24.3	178.4	-62.9	0	0	0	0	112.6	D670 I671	D670-S673 WeakPolarHBondContact O-CB 3.45Å; D670-S673 PolarHBondContact O-N 3.01Å; D670-S673 VanDerWaalsContact O-N 3.09Å; I671-S673 PolarHBondContact O-N 2.94Å; I671-S673 VanDerWaalsContact O-N 3.12Å
674	Y	92.5	Very high	91.2	Very high	89 Å²	89	49.9 Å²	49.9	35%	0.349	23%	0.233	S	C	.	.	H	α-helix	trans	-110.5	-11.9	-175.6	-55.1	-63.2	0	0	0	113.5	D670 I671 P672 K676 I713 H717	D670-Y674 HydrophobicContact CB-CE2 4.15Å; D670-Y674 WeakPolarHBondContact O-CD2 3.42Å; D670-Y674 WeakPolarHBondContact O-CE2 3.25Å; I671-Y674 PolarHBondContact O-N 3.39Å; P672-Y674 PolarHBondContact O-N 2.96Å; Y674-K676 PolarHBondContact O-N 3.35Å; Y674-I713 HydrophobicContact CD2-CG2 4.35Å; Y674-I713 HydrophobicContact CG-CG2 4.5Å; Y674-H717 AromaticContact CD1-CD2 3.76Å; Y674-H717 AromaticContact CD1-CE1 3.61Å; Y674-H717 AromaticContact CD1-CG 3.83Å; Y674-H717 AromaticContact CD1-ND1 3.74Å; Y674-H717 AromaticContact CD1-NE2 3.64Å; Y674-H717 HydrophobicContact CD2-CB 3.7Å; Y674-H717 AromaticContact CD2-CD2 3.99Å; Y674-H717 AromaticContact CD2-CG 3.74Å; Y674-H717 AromaticContact CE1-CE1 3.69Å; Y674-H717 AromaticContact CE1-CG 3.95Å; Y674-H717 AromaticContact CE1-ND1 3.53Å; Y674-H717 HydrophobicContact CE2-CB 3.66Å; Y674-H717 AromaticContact CE2-CG 3.84Å; Y674-H717 HydrophobicContact CG-CB 4.21Å; Y674-H717 AromaticContact CG-CD2 3.57Å; Y674-H717 AromaticContact CG-CG 3.72Å; Y674-H717 AromaticContact CG-NE2 3.92Å; Y674-H717 AromaticContact CZ-CG 3.95Å; Y674-H717 AromaticContact CZ-ND1 3.73Å
675	L	91.9	Very high	91.6	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	23%	0.231	C	C	.	.			trans	-77.5	112.4	-178.2	-172.9	77.8	0	0	0	110.4	I671 C677 Y678 I706 E709 I713	I671-L675 WeakPolarHBondContact O-CB 3.41Å; I671-L675 PolarHBondContact O-N 3.23Å; I671-L675 VanDerWaalsContact O-N 3.1Å; L675-C677 VanDerWaalsContact C-N 3.33Å; L675-C677 VanDerWaalsContact CG-SG 3.54Å; L675-C677 PolarHBondContact O-N 2.95Å; L675-Y678 HydrophobicContact CD2-CD2 4.16Å; L675-Y678 WeakPolarHBondContact O-CB 3.31Å; L675-Y678 PolarHBondContact O-N 3.5Å; L675-I706 HydrophobicContact CD1-CG1 4.41Å; L675-I706 HydrophobicContact CD2-CG1 3.91Å; L675-E709 HydrophobicContact CD1-CB 3.97Å; L675-I713 HydrophobicContact CB-CD1 4.13Å; L675-I713 HydrophobicContact CD1-CD1 3.77Å
676	K	91.9	Very high	91.6	Very high	188 Å²	188	53.9 Å²	53.9	82%	0.817	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-38	-176.8	-63.2	177.1	-178	173.1	0	111.1	Y674 Y678 E709	Y674-K676 PolarHBondContact O-N 3.35Å; K676-Y678 PolarHBondContact O-N 3.03Å; K676-E709 WeakPolarHBondContact CB-OE2 3.42Å; K676-E709 PolarHBondContact N-OE2 2.57Å
677	C	91.3	Very high	91.4	Very high	11 Å²	11	61.8 Å²	61.8	7%	0.074	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.4	177.3	65.3	0	0	0	0	114.1	L675 K679 W680 V681 K705 E709	L675-C677 VanDerWaalsContact C-N 3.33Å; L675-C677 VanDerWaalsContact CG-SG 3.54Å; L675-C677 PolarHBondContact O-N 2.95Å; C677-K679 PolarHBondContact O-N 2.94Å; C677-W680 WeakPolarHBondContact O-CA 3.32Å; C677-W680 WeakPolarHBondContact O-CB 3.41Å; C677-W680 PolarHBondContact O-N 3.42Å; C677-V681 HydrophobicContact CB-CG2 4.49Å; C677-V681 WeakPolarHBondContact O-CG2 3.41Å; C677-V681 PolarHBondContact O-N 3.28Å; C677-K705 HydrophobicContact CB-CB 4.2Å; C677-K705 HydrophobicContact CB-CD 4.39Å; C677-E709 PolarHBondContact N-OE1 2.78Å
678	Y	91.3	Very high	90.9	Very high	34 Å²	34	65.1 Å²	65.1	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-55.5	-48.2	-172.5	-173.7	-119.3	0	0	0	114.2	L648 P672 L675 K676 W680 V681 L682	L648-Y678 PolarHBondContact O-OH 3.44Å; P672-Y678 HydrophobicContact CB-CD1 4.14Å; P672-Y678 HydrophobicContact CB-CD2 3.91Å; P672-Y678 HydrophobicContact CB-CE1 3.9Å; P672-Y678 HydrophobicContact CB-CE2 3.67Å; P672-Y678 HydrophobicContact CB-CG 4.15Å; P672-Y678 HydrophobicContact CG-CE2 4.19Å; L675-Y678 HydrophobicContact CD2-CD2 4.16Å; L675-Y678 WeakPolarHBondContact O-CB 3.31Å; L675-Y678 PolarHBondContact O-N 3.5Å; K676-Y678 PolarHBondContact O-N 3.03Å; Y678-W680 PolarHBondContact O-N 3.42Å; Y678-V681 PolarHBondContact O-N 2.99Å; Y678-L682 HydrophobicContact CD1-CD1 4Å; Y678-L682 HydrophobicContact CE1-CD1 3.52Å; Y678-L682 HydrophobicContact CE1-CG 4.25Å; Y678-L682 HydrophobicContact CE2-CD1 4.35Å; Y678-L682 HydrophobicContact CE2-CD2 4.36Å; Y678-L682 HydrophobicContact CE2-CG 4.21Å; Y678-L682 PolarHBondContact O-N 3.47Å
679	K	90.7	Very high	90.4	Very high	169 Å²	169	65 Å²	65	74%	0.735	31%	0.314	S	S	*	.	H	α-helix	trans	-61.2	-31.7	177.5	-70.6	-175.4	179.5	178.7	0	112.7	C677 K683	C677-K679 PolarHBondContact O-N 2.94Å; K679-K683 WeakPolarHBondContact O-CG 3.4Å; K679-K683 PolarHBondContact O-N 3.11Å
680	W	93.3	Very high	89.6	Confident	83 Å²	83	72 Å²	72	31%	0.314	35%	0.35	S	S	.	.	H	α-helix	trans	-74.8	-44.4	176.5	174.5	85	0	0	0	110.7	C677 Y678 L682 K683 E684 P701 A702 K705	C677-W680 WeakPolarHBondContact O-CA 3.32Å; C677-W680 WeakPolarHBondContact O-CB 3.41Å; C677-W680 PolarHBondContact O-N 3.42Å; Y678-W680 PolarHBondContact O-N 3.42Å; W680-L682 VanDerWaalsContact C-N 3.32Å; W680-L682 PolarHBondContact O-N 2.89Å; W680-K683 PolarHBondContact O-N 3.27Å; W680-K683 VanDerWaalsContact O-N 3.14Å; W680-E684 HydrophobicContact CH2-CG 4.43Å; W680-E684 HydrophobicContact CZ2-CG 4.34Å; W680-E684 PolarHBondContact O-N 3.45Å; W680-P701 HydrophobicContact CH2-CB 4.08Å; W680-A702 HydrophobicContact CZ3-CB 4.26Å; W680-K705 VanDerWaalsContact CE2-NZ 3.31Å; W680-K705 HydrophobicContact CE3-CD 3.84Å; W680-K705 HydrophobicContact CH2-CD 4.13Å; W680-K705 VanDerWaalsContact CZ2-NZ 3.31Å; W680-K705 HydrophobicContact CZ3-CD 3.64Å
681	V	91.1	Very high	88.9	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.4	-42.3	176.6	177.1	0	0	0	0	111.3	L648 C677 Y678 K683 E684 S685 W693 A702 I706	L648-V681 HydrophobicContact CD1-CG1 4.07Å; L648-V681 HydrophobicContact CD2-CG1 3.58Å; C677-V681 HydrophobicContact CB-CG2 4.49Å; C677-V681 WeakPolarHBondContact O-CG2 3.41Å; C677-V681 PolarHBondContact O-N 3.28Å; Y678-V681 PolarHBondContact O-N 2.99Å; V681-K683 PolarHBondContact O-N 3.35Å; V681-E684 PolarHBondContact O-N 3.43Å; V681-S685 WeakPolarHBondContact O-CB 3.48Å; V681-S685 PolarHBondContact O-N 3.11Å; V681-W693 HydrophobicContact CG1-CH2 4.02Å; V681-W693 HydrophobicContact CG1-CZ2 3.89Å; V681-A702 HydrophobicContact CG1-CB 4.01Å; V681-A702 HydrophobicContact CG2-CB 3.95Å; V681-I706 HydrophobicContact CG2-CD1 4.3Å; V681-I706 HydrophobicContact CG2-CG1 4.46Å
682	L	89.8	Confident	88.6	Confident	65 Å²	65	81.3 Å²	81.3	34%	0.34	40%	0.395	S	S	.	.	H	α-helix	trans	-60.9	-41.6	175.2	-73.9	175.7	0	0	0	112.7	L648 Y678 W680 S686	L648-L682 HydrophobicContact CB-CD2 4.17Å; L648-L682 HydrophobicContact CD1-CD2 4.3Å; Y678-L682 HydrophobicContact CD1-CD1 4Å; Y678-L682 HydrophobicContact CE1-CD1 3.52Å; Y678-L682 HydrophobicContact CE1-CG 4.25Å; Y678-L682 HydrophobicContact CE2-CD1 4.35Å; Y678-L682 HydrophobicContact CE2-CD2 4.36Å; Y678-L682 HydrophobicContact CE2-CG 4.21Å; Y678-L682 PolarHBondContact O-N 3.47Å; W680-L682 VanDerWaalsContact C-N 3.32Å; W680-L682 PolarHBondContact O-N 2.89Å; L682-S686 WeakPolarHBondContact O-CB 3.18Å; L682-S686 PolarHBondContact O-N 3.07Å; L682-S686 PolarHBondContact O-OG 3.16Å; L682-S686 VanDerWaalsContact O-OG 3.08Å
683	K	89.9	Confident	88.6	Confident	158 Å²	158	81.6 Å²	81.6	69%	0.687	40%	0.395	S	S	*	.	H	α-helix	trans	-65.3	-40.5	176.4	-74.4	178.1	180	-173.9	0	111.8	K679 W680 V681 S686 R687	K679-K683 WeakPolarHBondContact O-CG 3.4Å; K679-K683 PolarHBondContact O-N 3.11Å; W680-K683 PolarHBondContact O-N 3.27Å; W680-K683 VanDerWaalsContact O-N 3.14Å; V681-K683 PolarHBondContact O-N 3.35Å; K683-S686 PolarHBondContact O-N 3.3Å; K683-R687 WeakPolarHBondContact O-CB 3.31Å; K683-R687 PolarHBondContact O-N 3.28Å
684	E	88.9	Confident	88.3	Confident	29 Å²	29	87.1 Å²	87.1	14%	0.136	40%	0.403	C	S	.	.	H	α-helix	trans	-69.4	-40.6	179.5	-155.9	66.8	-156.3	0	0	111.2	W680 V681 S686 R687 Y688 W693	W680-E684 HydrophobicContact CH2-CG 4.43Å; W680-E684 HydrophobicContact CZ2-CG 4.34Å; W680-E684 PolarHBondContact O-N 3.45Å; V681-E684 PolarHBondContact O-N 3.43Å; E684-S686 PolarHBondContact O-N 3.3Å; E684-R687 WeakPolarHBondContact O-CB 3.28Å; E684-R687 PolarHBondContact O-N 2.81Å; E684-R687 VanDerWaalsContact O-N 3.1Å; E684-R687 IonicContact OE1-NH1 2.71Å; E684-R687 PolarHBondContact OE1-NH1 3.1Å; E684-Y688 HydrophobicContact CG-CD2 4.14Å; E684-Y688 HydrophobicContact CG-CE2 3.7Å; E684-Y688 VanDerWaalsContact O-CD2 3.25Å; E684-Y688 WeakPolarHBondContact O-CD2 3.41Å; E684-Y688 PolarHBondContact O-N 2.95Å; E684-Y688 VanDerWaalsContact OE1-CE2 3.29Å; E684-Y688 WeakPolarHBondContact OE1-CE2 3.2Å; E684-Y688 PolarHBondContact OE1-OH 2.81Å; E684-W693 HydrophobicContact CB-CZ3 4.36Å; E684-W693 HydrophobicContact CG-CZ3 4.37Å
685	S	88.7	Confident	88.1	Confident	22 Å²	22	87.5 Å²	87.5	15%	0.154	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-45.1	172.5	-176.1	0	0	0	0	111.7	V681 R687 Y688 G689	V681-S685 WeakPolarHBondContact O-CB 3.48Å; V681-S685 PolarHBondContact O-N 3.11Å; S685-R687 VanDerWaalsContact C-N 3.26Å; S685-R687 PolarHBondContact O-N 3.11Å; S685-Y688 PolarHBondContact O-N 2.92Å; S685-G689 PolarHBondContact O-N 3.31Å
686	S	88.2	Confident	87.7	Confident	101 Å²	101	95.6 Å²	95.6	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-64.2	-27.7	174.4	-63.9	0	0	0	0	113.6	L682 K683 E684	L682-S686 WeakPolarHBondContact O-CB 3.18Å; L682-S686 PolarHBondContact O-N 3.07Å; L682-S686 PolarHBondContact O-OG 3.16Å; L682-S686 VanDerWaalsContact O-OG 3.08Å; K683-S686 PolarHBondContact O-N 3.3Å; E684-S686 PolarHBondContact O-N 3.3Å
687	R	88.6	Confident	87.5	Confident	179 Å²	179	93.4 Å²	93.4	68%	0.675	43%	0.428	S	S	*	.	H	α-helix	trans	-71.9	-42.2	178.5	-177.7	-171.7	179	-168	0.9	112.2	K683 E684 S685	K683-R687 WeakPolarHBondContact O-CB 3.31Å; K683-R687 PolarHBondContact O-N 3.28Å; E684-R687 WeakPolarHBondContact O-CB 3.28Å; E684-R687 PolarHBondContact O-N 2.81Å; E684-R687 VanDerWaalsContact O-N 3.1Å; E684-R687 IonicContact OE1-NH1 2.71Å; E684-R687 PolarHBondContact OE1-NH1 3.1Å; S685-R687 VanDerWaalsContact C-N 3.26Å; S685-R687 PolarHBondContact O-N 3.11Å
688	Y	86.1	Confident	87.2	Confident	71 Å²	71	93 Å²	93	28%	0.278	43%	0.425	S	S	.	.	H	α-helix	trans	-82.6	-25	178.2	-67.8	-67.5	0	0	0	112.4	E684 S685 D692 W693 W697 A698	E684-Y688 HydrophobicContact CG-CD2 4.14Å; E684-Y688 HydrophobicContact CG-CE2 3.7Å; E684-Y688 VanDerWaalsContact O-CD2 3.25Å; E684-Y688 WeakPolarHBondContact O-CD2 3.41Å; E684-Y688 PolarHBondContact O-N 2.95Å; E684-Y688 VanDerWaalsContact OE1-CE2 3.29Å; E684-Y688 WeakPolarHBondContact OE1-CE2 3.2Å; E684-Y688 PolarHBondContact OE1-OH 2.81Å; S685-Y688 PolarHBondContact O-N 2.92Å; Y688-D692 WeakPolarHBondContact O-CB 3Å; Y688-W693 HydrophobicContact CD2-CE3 4.11Å; Y688-W693 HydrophobicContact CD2-CZ3 4.28Å; Y688-W697 HydrophobicContact CD1-CH2 4.02Å; Y688-W697 HydrophobicContact CD1-CZ3 4.12Å; Y688-W697 AromaticContact CE1-CH2 3.98Å; Y688-W697 HydrophobicContact CE1-CH2 3.98Å; Y688-W697 AromaticContact CE1-CZ3 3.67Å; Y688-W697 HydrophobicContact CE1-CZ3 3.67Å; Y688-A698 HydrophobicContact CD2-CB 4.21Å; Y688-A698 HydrophobicContact CG-CB 4.25Å
689	G	82.9	Confident	87.2	Confident	31 Å²	31	91.5 Å²	91.5	32%	0.32	42%	0.42	S	S	.	.	H	α-helix	trans	75.8	166.3	-173.9	0	0	0	0	0	112.4	S685 E691 W693	S685-G689 PolarHBondContact O-N 3.31Å; G689-E691 VanDerWaalsContact C-N 3.34Å; G689-E691 PolarHBondContact O-N 3.3Å; G689-W693 WeakPolarHBondContact O-CB 3.35Å; G689-W693 PolarHBondContact O-N 3.24Å
690	L	77.9	Confident	87.1	Confident	146 Å²	146	89.7 Å²	89.7	76%	0.764	41%	0.414	S	S	*	.	H	α-helix	trans	-59.5	-37.2	-169.7	-83.7	153.8	0	0	0	114.3	R694	L690-R694 WeakPolarHBondContact O-CG 3.48Å
691	E	80.3	Confident	87	Confident	169 Å²	169	89 Å²	89	79%	0.79	42%	0.42	S	S	*	.	H	α-helix	trans	-77	-45.1	-176.2	-65.8	-162.2	163.9	0	0	112.8	G689 R694	G689-E691 VanDerWaalsContact C-N 3.34Å; G689-E691 PolarHBondContact O-N 3.3Å; E691-R694 PolarHBondContact O-N 3.36Å
692	D	85.4	Confident	86.9	Confident	63 Å²	63	89 Å²	89	34%	0.337	42%	0.42	S	S	.	.	H	α-helix	trans	-75.2	-29.7	178.6	-72.4	-36.4	0	0	0	112	Y688 R694 K695 A698	Y688-D692 WeakPolarHBondContact O-CB 3Å; D692-R694 PolarHBondContact O-N 3.13Å; D692-K695 WeakPolarHBondContact O-CB 3.28Å; D692-K695 PolarHBondContact O-N 3.44Å; D692-K695 WeakPolarHBondContact OD1-CE 3.33Å; D692-K695 IonicContact OD1-NZ 3.69Å; D692-K695 PolarHBondContact OD1-NZ 3.27Å; D692-A698 WeakPolarHBondContact O-CB 3.47Å
693	W	88.7	Confident	87	Confident	13 Å²	13	88.1 Å²	88.1	5%	0.049	42%	0.415	C	S	.	.	H	α-helix	trans	-61.7	-26.5	174.4	-174.9	-108.2	0	0	0	113.3	T645 L648 V681 E684 Y688 G689 K695 A698 Q699 A702	T645-W693 HydrophobicContact CG2-CH2 4.42Å; T645-W693 HydrophobicContact CG2-CZ2 3.61Å; T645-W693 PolarHBondContact O-NE1 2.95Å; L648-W693 HydrophobicContact CD1-CZ2 4.09Å; V681-W693 HydrophobicContact CG1-CH2 4.02Å; V681-W693 HydrophobicContact CG1-CZ2 3.89Å; E684-W693 HydrophobicContact CB-CZ3 4.36Å; E684-W693 HydrophobicContact CG-CZ3 4.37Å; Y688-W693 HydrophobicContact CD2-CE3 4.11Å; Y688-W693 HydrophobicContact CD2-CZ3 4.28Å; G689-W693 WeakPolarHBondContact O-CB 3.35Å; G689-W693 PolarHBondContact O-N 3.24Å; W693-K695 PolarHBondContact O-N 3.11Å; W693-A698 HydrophobicContact CE3-CB 4.46Å; W693-A698 WeakPolarHBondContact CZ3-O 3.42Å; W693-Q699 HydrophobicContact CD2-CG 4.29Å; W693-Q699 HydrophobicContact CZ2-CG 4.47Å; W693-Q699 VanDerWaalsContact O-CD 3.29Å; W693-Q699 WeakPolarHBondContact O-CG 3.49Å; W693-Q699 PolarHBondContact O-NE2 3Å; W693-A702 HydrophobicContact CH2-CB 3.68Å; W693-A702 HydrophobicContact CZ2-CB 4.24Å
694	R	85.1	Confident	87.1	Confident	199 Å²	199	83.8 Å²	83.8	75%	0.751	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.5	175.6	-72.1	177.9	179.6	-165.9	0.7	113.2	L690 E691 D692	L690-R694 WeakPolarHBondContact O-CG 3.48Å; E691-R694 PolarHBondContact O-N 3.36Å; D692-R694 PolarHBondContact O-N 3.13Å
695	K	87.3	Confident	87.2	Confident	98 Å²	98	86.1 Å²	86.1	43%	0.426	41%	0.412	S	S	.	.	S	Bend	trans	-83.7	133.9	179.5	-60.4	175.5	-178.2	163.3	0	109.8	D692 W693 W697 A698 Q699	D692-K695 WeakPolarHBondContact O-CB 3.28Å; D692-K695 PolarHBondContact O-N 3.44Å; D692-K695 WeakPolarHBondContact OD1-CE 3.33Å; D692-K695 IonicContact OD1-NZ 3.69Å; D692-K695 PolarHBondContact OD1-NZ 3.27Å; W693-K695 PolarHBondContact O-N 3.11Å; K695-W697 VanDerWaalsContact C-N 3.27Å; K695-W697 HydrophobicContact CD-CZ2 4.09Å; K695-W697 PolarHBondContact O-N 3.04Å; K695-W697 VanDerWaalsContact O-N 3.13Å; K695-A698 WeakPolarHBondContact O-CB 3.37Å; K695-A698 PolarHBondContact O-N 3.32Å; K695-Q699 PolarHBondContact O-N 3.28Å
696	K	85.1	Confident	87.4	Confident	178 Å²	178	85 Å²	85	77%	0.774	40%	0.404	S	S	*	.	H	α-helix	trans	-52.1	-39.9	-175.7	-69.5	-170.2	174.7	-172.9	0	114.2	A698 Q699 E700	K696-A698 VanDerWaalsContact C-N 3.28Å; K696-A698 PolarHBondContact O-N 2.76Å; K696-Q699 PolarHBondContact O-N 3.39Å; K696-E700 PolarHBondContact O-N 3.01Å
697	W	86.4	Confident	87.7	Confident	142 Å²	142	82 Å²	82	54%	0.538	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-28.2	-179.4	64	-100	0	0	0	113.3	Y688 K695	Y688-W697 HydrophobicContact CD1-CH2 4.02Å; Y688-W697 HydrophobicContact CD1-CZ3 4.12Å; Y688-W697 AromaticContact CE1-CH2 3.98Å; Y688-W697 HydrophobicContact CE1-CH2 3.98Å; Y688-W697 AromaticContact CE1-CZ3 3.67Å; Y688-W697 HydrophobicContact CE1-CZ3 3.67Å; K695-W697 VanDerWaalsContact C-N 3.27Å; K695-W697 HydrophobicContact CD-CZ2 4.09Å; K695-W697 PolarHBondContact O-N 3.04Å; K695-W697 VanDerWaalsContact O-N 3.13Å
698	A	86.1	Confident	87.9	Confident	2 Å²	2	80.4 Å²	80.4	2%	0.017	38%	0.383	C	S	.	.	H	α-helix	trans	-77.8	-31.4	178.2	0	0	0	0	0	111.6	Y688 D692 W693 K695 K696	Y688-A698 HydrophobicContact CD2-CB 4.21Å; Y688-A698 HydrophobicContact CG-CB 4.25Å; D692-A698 WeakPolarHBondContact O-CB 3.47Å; W693-A698 HydrophobicContact CE3-CB 4.46Å; W693-A698 WeakPolarHBondContact CZ3-O 3.42Å; K695-A698 WeakPolarHBondContact O-CB 3.37Å; K695-A698 PolarHBondContact O-N 3.32Å; K696-A698 VanDerWaalsContact C-N 3.28Å; K696-A698 PolarHBondContact O-N 2.76Å
699	Q	90.4	Very high	88.2	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.019	38%	0.381	C	S	.	.	H	α-helix	trans	-84.8	-24.8	-178.8	-67.4	-172.8	-18.3	0	0	113.8	T645 D646 W693 K695 K696 A702 L703	T645-Q699 HydrophobicContact CG2-CB 3.77Å; T645-Q699 HydrophobicContact CG2-CG 3.71Å; D646-Q699 PolarHBondContact OD1-NE2 2.85Å; D646-Q699 PolarHBondContact OD1-OE1 3Å; W693-Q699 HydrophobicContact CD2-CG 4.29Å; W693-Q699 HydrophobicContact CZ2-CG 4.47Å; W693-Q699 VanDerWaalsContact O-CD 3.29Å; W693-Q699 WeakPolarHBondContact O-CG 3.49Å; W693-Q699 PolarHBondContact O-NE2 3Å; K695-Q699 PolarHBondContact O-N 3.28Å; K696-Q699 PolarHBondContact O-N 3.39Å; Q699-A702 WeakPolarHBondContact O-CA 3.1Å; Q699-A702 WeakPolarHBondContact O-CB 3.33Å; Q699-A702 PolarHBondContact O-N 2.81Å; Q699-L703 PolarHBondContact O-N 2.84Å
700	E	89.3	Confident	88.8	Confident	131 Å²	131	78 Å²	78	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-51.2	-45.5	-172.6	-175.1	169.5	-159.3	0	0	113.7	K696 A702 L703 V704	K696-E700 PolarHBondContact O-N 3.01Å; E700-A702 VanDerWaalsContact C-N 3.32Å; E700-A702 PolarHBondContact O-N 3.33Å; E700-L703 PolarHBondContact O-N 3Å; E700-V704 WeakPolarHBondContact O-CG2 3.48Å; E700-V704 PolarHBondContact O-N 2.88Å; E700-V704 VanDerWaalsContact O-N 3.16Å
701	P	89.9	Confident	89.4	Confident	68 Å²	68	73 Å²	73	44%	0.442	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-31.2	176.4	-21.9	35.5	0	0	0	114.1	W680	W680-P701 HydrophobicContact CH2-CB 4.08Å
702	A	89.8	Confident	90	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-75.7	-41.9	177.2	0	0	0	0	0	111.4	T645 W680 V681 W693 Q699 E700 V704 K705 I706	T645-A702 HydrophobicContact CG2-CB 4.32Å; W680-A702 HydrophobicContact CZ3-CB 4.26Å; V681-A702 HydrophobicContact CG1-CB 4.01Å; V681-A702 HydrophobicContact CG2-CB 3.95Å; W693-A702 HydrophobicContact CH2-CB 3.68Å; W693-A702 HydrophobicContact CZ2-CB 4.24Å; Q699-A702 WeakPolarHBondContact O-CA 3.1Å; Q699-A702 WeakPolarHBondContact O-CB 3.33Å; Q699-A702 PolarHBondContact O-N 2.81Å; E700-A702 VanDerWaalsContact C-N 3.32Å; E700-A702 PolarHBondContact O-N 3.33Å; A702-V704 PolarHBondContact O-N 3.3Å; A702-K705 PolarHBondContact O-N 3.36Å; A702-I706 WeakPolarHBondContact O-CB 3.38Å; A702-I706 VanDerWaalsContact O-CG1 3.24Å; A702-I706 WeakPolarHBondContact O-CG1 3.27Å; A702-I706 PolarHBondContact O-N 3.31Å
703	L	91.4	Very high	90.4	Very high	45 Å²	45	64.2 Å²	64.2	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-45.5	178.5	-173.5	149.6	0	0	0	111.6	Q642 Q699 E700 I706 S707	Q642-L703 HydrophobicContact CB-CD1 4.19Å; Q699-L703 PolarHBondContact O-N 2.84Å; E700-L703 PolarHBondContact O-N 3Å; L703-I706 PolarHBondContact O-N 2.78Å; L703-S707 VanDerWaalsContact O-CB 3.32Å; L703-S707 WeakPolarHBondContact O-CB 3.37Å; L703-S707 PolarHBondContact O-N 3.28Å; L703-S707 PolarHBondContact O-OG 3.02Å
704	V	91.8	Very high	90.7	Very high	68 Å²	68	63.8 Å²	63.8	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-52	177.7	173.9	0	0	0	0	110.5	E700 A702 I706 S707 E708	E700-V704 WeakPolarHBondContact O-CG2 3.48Å; E700-V704 PolarHBondContact O-N 2.88Å; E700-V704 VanDerWaalsContact O-N 3.16Å; A702-V704 PolarHBondContact O-N 3.3Å; V704-I706 PolarHBondContact O-N 3.14Å; V704-S707 PolarHBondContact O-N 2.85Å; V704-S707 PolarHBondContact O-OG 3.2Å; V704-E708 WeakPolarHBondContact O-CG 3.34Å; V704-E708 PolarHBondContact O-N 3.09Å; V704-E708 VanDerWaalsContact O-N 3.08Å
705	K	92.1	Very high	91.1	Very high	77 Å²	77	57.4 Å²	57.4	34%	0.335	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-40.5	179.8	-72.3	-178.2	-179.4	174.8	0	113.1	C677 W680 A702 E709	C677-K705 HydrophobicContact CB-CB 4.2Å; C677-K705 HydrophobicContact CB-CD 4.39Å; W680-K705 VanDerWaalsContact CE2-NZ 3.31Å; W680-K705 HydrophobicContact CE3-CD 3.84Å; W680-K705 HydrophobicContact CH2-CD 4.13Å; W680-K705 VanDerWaalsContact CZ2-NZ 3.31Å; W680-K705 HydrophobicContact CZ3-CD 3.64Å; A702-K705 PolarHBondContact O-N 3.36Å; K705-E709 PolarHBondContact O-N 3.18Å
706	I	93.4	Very high	91.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-46.9	177	-70	165	0	0	0	109.8	I644 T645 L675 V681 A702 L703 V704 E708 E709 L710	I644-I706 HydrophobicContact CD1-CG2 4.22Å; I644-I706 HydrophobicContact CG2-CD1 4.25Å; T645-I706 WeakPolarHBondContact OG1-CD1 3.36Å; L675-I706 HydrophobicContact CD1-CG1 4.41Å; L675-I706 HydrophobicContact CD2-CG1 3.91Å; V681-I706 HydrophobicContact CG2-CD1 4.3Å; V681-I706 HydrophobicContact CG2-CG1 4.46Å; A702-I706 WeakPolarHBondContact O-CB 3.38Å; A702-I706 VanDerWaalsContact O-CG1 3.24Å; A702-I706 WeakPolarHBondContact O-CG1 3.27Å; A702-I706 PolarHBondContact O-N 3.31Å; L703-I706 PolarHBondContact O-N 2.78Å; V704-I706 PolarHBondContact O-N 3.14Å; I706-E708 VanDerWaalsContact C-N 3.33Å; I706-E708 PolarHBondContact O-N 3.48Å; I706-E709 PolarHBondContact O-N 3.14Å; I706-L710 VanDerWaalsContact O-CB 3.24Å; I706-L710 WeakPolarHBondContact O-CB 3.39Å; I706-L710 PolarHBondContact O-N 3.23Å
707	S	92.9	Very high	91.8	Very high	36 Å²	36	54.3 Å²	54.3	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-36.2	-177.3	72.2	0	0	0	0	113.5	S641 L703 V704	S641-S707 WeakPolarHBondContact OG-CA 3.38Å; L703-S707 VanDerWaalsContact O-CB 3.32Å; L703-S707 WeakPolarHBondContact O-CB 3.37Å; L703-S707 PolarHBondContact O-N 3.28Å; L703-S707 PolarHBondContact O-OG 3.02Å; V704-S707 PolarHBondContact O-N 2.85Å; V704-S707 PolarHBondContact O-OG 3.2Å
708	E	92.6	Very high	92.2	Very high	147 Å²	147	48 Å²	48	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-65.1	-38.1	176.6	-74	178.1	171.6	0	0	112.4	V704 I706	V704-E708 WeakPolarHBondContact O-CG 3.34Å; V704-E708 PolarHBondContact O-N 3.09Å; V704-E708 VanDerWaalsContact O-N 3.08Å; I706-E708 VanDerWaalsContact C-N 3.33Å; I706-E708 PolarHBondContact O-N 3.48Å
709	E	94	Very high	92.5	Very high	50 Å²	50	52.3 Å²	52.3	23%	0.234	29%	0.289	C	S	.	.	H	α-helix	trans	-84.3	-32.2	-179	-66.8	-175.7	-153.8	0	0	112.9	L675 K676 C677 K705 I706 A711 G712 I713	L675-E709 HydrophobicContact CD1-CB 3.97Å; K676-E709 WeakPolarHBondContact CB-OE2 3.42Å; K676-E709 PolarHBondContact N-OE2 2.57Å; C677-E709 PolarHBondContact N-OE1 2.78Å; K705-E709 PolarHBondContact O-N 3.18Å; I706-E709 PolarHBondContact O-N 3.14Å; E709-A711 PolarHBondContact O-N 3.32Å; E709-G712 PolarHBondContact O-N 3.24Å; E709-G712 VanDerWaalsContact O-N 3.16Å; E709-I713 HydrophobicContact CB-CD1 4.05Å; E709-I713 WeakPolarHBondContact O-CG1 3.16Å; E709-I713 PolarHBondContact O-N 2.74Å; E709-I713 VanDerWaalsContact O-N 3.09Å
710	L	94	Very high	92.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-43.2	-166.2	-178.1	61.4	0	0	0	113.6	I637 L640 S641 I644 I671 I706 G712 I713 L714	I637-L710 HydrophobicContact CD1-CB 4.35Å; I637-L710 HydrophobicContact CD1-CD2 3.97Å; I637-L710 HydrophobicContact CD1-CG 3.83Å; I637-L710 HydrophobicContact CG2-CD2 4.21Å; L640-L710 HydrophobicContact CB-CD2 4Å; L640-L710 HydrophobicContact CD2-CD1 4.1Å; L640-L710 HydrophobicContact CD2-CD2 3.98Å; L640-L710 HydrophobicContact CD2-CG 4.5Å; L640-L710 HydrophobicContact CG-CD1 4.44Å; L640-L710 HydrophobicContact CG-CD2 3.85Å; S641-L710 WeakPolarHBondContact OG-CD2 3.34Å; I644-L710 HydrophobicContact CD1-CD1 4.09Å; I644-L710 HydrophobicContact CD1-CD2 4.48Å; I671-L710 HydrophobicContact CD1-CD1 3.93Å; I671-L710 HydrophobicContact CG2-CD1 4.07Å; I706-L710 VanDerWaalsContact O-CB 3.24Å; I706-L710 WeakPolarHBondContact O-CB 3.39Å; I706-L710 PolarHBondContact O-N 3.23Å; L710-G712 VanDerWaalsContact C-N 3.29Å; L710-G712 PolarHBondContact O-N 3.31Å; L710-I713 PolarHBondContact O-N 2.96Å; L710-L714 HydrophobicContact CD1-CD1 4.19Å; L710-L714 HydrophobicContact CD1-CD2 4.38Å; L710-L714 HydrophobicContact CD1-CG 4.02Å; L710-L714 HydrophobicContact CG-CD1 4.12Å; L710-L714 HydrophobicContact CG-CG 4.34Å; L710-L714 WeakPolarHBondContact O-CG 3.49Å; L710-L714 PolarHBondContact O-N 2.96Å
711	A	91.4	Very high	92.7	Very high	43 Å²	43	47.8 Å²	47.8	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-38.9	-179.1	0	0	0	0	0	112.2	I637 E709 A715	I637-A711 HydrophobicContact CD1-CB 4.03Å; I637-A711 HydrophobicContact CG1-CB 4.5Å; E709-A711 PolarHBondContact O-N 3.32Å; A711-A715 WeakPolarHBondContact O-CB 3.44Å; A711-A715 PolarHBondContact O-N 3.31Å
712	G	92.3	Very high	92.5	Very high	36 Å²	36	46.1 Å²	46.1	37%	0.371	26%	0.258	S	S	.	.	H	α-helix	trans	-68.5	-41.7	175.7	0	0	0	0	0	112.2	E709 L710 A715 Q716	E709-G712 PolarHBondContact O-N 3.24Å; E709-G712 VanDerWaalsContact O-N 3.16Å; L710-G712 VanDerWaalsContact C-N 3.29Å; L710-G712 PolarHBondContact O-N 3.31Å; G712-A715 PolarHBondContact O-N 3.26Å; G712-Q716 WeakPolarHBondContact O-CG 3.36Å; G712-Q716 PolarHBondContact O-N 3.12Å
713	I	94.6	Very high	92.3	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-50.1	177.8	-67.4	167.5	0	0	0	110.6	Y674 L675 E709 L710 A715 Q716 H717	Y674-I713 HydrophobicContact CD2-CG2 4.35Å; Y674-I713 HydrophobicContact CG-CG2 4.5Å; L675-I713 HydrophobicContact CB-CD1 4.13Å; L675-I713 HydrophobicContact CD1-CD1 3.77Å; E709-I713 HydrophobicContact CB-CD1 4.05Å; E709-I713 WeakPolarHBondContact O-CG1 3.16Å; E709-I713 PolarHBondContact O-N 2.74Å; E709-I713 VanDerWaalsContact O-N 3.09Å; L710-I713 PolarHBondContact O-N 2.96Å; I713-A715 VanDerWaalsContact C-N 3.3Å; I713-A715 PolarHBondContact O-N 3.24Å; I713-Q716 PolarHBondContact O-N 2.94Å; I713-H717 HydrophobicContact CG2-CB 4.46Å; I713-H717 WeakPolarHBondContact O-CB 3.3Å; I713-H717 PolarHBondContact O-N 3.2Å
714	L	94.6	Very high	92	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-39.5	179.6	-65.6	178.4	0	0	0	111.7	M636 I637 L640 F655 C669 I671 L710 Q716 A718 W729	M636-L714 HydrophobicContact SD-CD1 4.41Å; I637-L714 HydrophobicContact CD1-CD1 3.82Å; L640-L714 HydrophobicContact CD2-CD1 4.18Å; F655-L714 HydrophobicContact CE1-CD1 4.49Å; F655-L714 HydrophobicContact CE1-CD2 4.42Å; F655-L714 HydrophobicContact CE2-CD2 4.09Å; F655-L714 HydrophobicContact CZ-CD1 4.33Å; F655-L714 HydrophobicContact CZ-CD2 3.55Å; C669-L714 HydrophobicContact CB-CD2 4.06Å; I671-L714 HydrophobicContact CD1-CD2 4.3Å; L710-L714 HydrophobicContact CD1-CD1 4.19Å; L710-L714 HydrophobicContact CD1-CD2 4.38Å; L710-L714 HydrophobicContact CD1-CG 4.02Å; L710-L714 HydrophobicContact CG-CD1 4.12Å; L710-L714 HydrophobicContact CG-CG 4.34Å; L710-L714 WeakPolarHBondContact O-CG 3.49Å; L710-L714 PolarHBondContact O-N 2.96Å; L714-Q716 VanDerWaalsContact C-N 3.26Å; L714-Q716 PolarHBondContact O-N 3.27Å; L714-A718 HydrophobicContact CB-CB 4.5Å; L714-A718 HydrophobicContact CD2-CB 4.35Å; L714-A718 WeakPolarHBondContact O-CB 3.48Å; L714-A718 PolarHBondContact O-N 3.09Å; L714-W729 HydrophobicContact CB-CZ2 4.15Å; L714-W729 HydrophobicContact CD1-CZ2 4.41Å
715	A	92.8	Very high	91.5	Very high	65 Å²	65	57.1 Å²	57.1	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-31	178.4	0	0	0	0	0	113.7	A711 G712 I713	A711-A715 WeakPolarHBondContact O-CB 3.44Å; A711-A715 PolarHBondContact O-N 3.31Å; G712-A715 PolarHBondContact O-N 3.26Å; I713-A715 VanDerWaalsContact C-N 3.3Å; I713-A715 PolarHBondContact O-N 3.24Å
716	Q	93.3	Very high	91.4	Very high	154 Å²	154	53.8 Å²	53.8	72%	0.72	28%	0.284	S	S	*	.	H	α-helix	trans	-99.4	-32.7	-175.1	-66.6	179	15.1	0	0	113.6	G712 I713 L714	G712-Q716 WeakPolarHBondContact O-CG 3.36Å; G712-Q716 PolarHBondContact O-N 3.12Å; I713-Q716 PolarHBondContact O-N 2.94Å; L714-Q716 VanDerWaalsContact C-N 3.26Å; L714-Q716 PolarHBondContact O-N 3.27Å
717	H	94.7	Very high	91.3	Very high	57 Å²	57	57.6 Å²	57.6	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-121.6	-9.5	-166.3	-60.4	-65.5	0	0	0	114.6	Y674 I713 Q719	Y674-H717 AromaticContact CD1-CD2 3.76Å; Y674-H717 AromaticContact CD1-CE1 3.61Å; Y674-H717 AromaticContact CD1-CG 3.83Å; Y674-H717 AromaticContact CD1-ND1 3.74Å; Y674-H717 AromaticContact CD1-NE2 3.64Å; Y674-H717 HydrophobicContact CD2-CB 3.7Å; Y674-H717 AromaticContact CD2-CD2 3.99Å; Y674-H717 AromaticContact CD2-CG 3.74Å; Y674-H717 AromaticContact CE1-CE1 3.69Å; Y674-H717 AromaticContact CE1-CG 3.95Å; Y674-H717 AromaticContact CE1-ND1 3.53Å; Y674-H717 HydrophobicContact CE2-CB 3.66Å; Y674-H717 AromaticContact CE2-CG 3.84Å; Y674-H717 HydrophobicContact CG-CB 4.21Å; Y674-H717 AromaticContact CG-CD2 3.57Å; Y674-H717 AromaticContact CG-CG 3.72Å; Y674-H717 AromaticContact CG-NE2 3.92Å; Y674-H717 AromaticContact CZ-CG 3.95Å; Y674-H717 AromaticContact CZ-ND1 3.73Å; I713-H717 HydrophobicContact CG2-CB 4.46Å; I713-H717 WeakPolarHBondContact O-CB 3.3Å; I713-H717 PolarHBondContact O-N 3.2Å; H717-Q719 PolarHBondContact O-N 2.75Å
718	A	94.7	Very high	91.2	Very high	9 Å²	9	58.9 Å²	58.9	7%	0.074	32%	0.315	C	S	.	.			trans	-74	129.6	174.6	0	0	0	0	0	110.8	C669 L714 W729	C669-A718 HydrophobicContact CB-CB 4.18Å; L714-A718 HydrophobicContact CB-CB 4.5Å; L714-A718 HydrophobicContact CD2-CB 4.35Å; L714-A718 WeakPolarHBondContact O-CB 3.48Å; L714-A718 PolarHBondContact O-N 3.09Å; A718-W729 HydrophobicContact CB-CD2 3.59Å; A718-W729 HydrophobicContact CB-CE3 3.38Å; A718-W729 HydrophobicContact CB-CG 4.16Å; A718-W729 HydrophobicContact CB-CH2 4.19Å; A718-W729 HydrophobicContact CB-CZ2 4.37Å; A718-W729 HydrophobicContact CB-CZ3 3.7Å
719	Q	92.9	Very high	91.3	Very high	92 Å²	92	53 Å²	53	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.5	-172.8	-67.5	179.6	8.4	0	0	110.6	A667 F668 H717	A667-Q719 CarbonylContact C-O 3.58Å; A667-Q719 WeakPolarHBondContact CA-O 3.29Å; A667-Q719 WeakPolarHBondContact CB-O 3.19Å; F668-Q719 HydrophobicContact CE1-CB 4.06Å; F668-Q719 HydrophobicContact CE2-CB 4.44Å; F668-Q719 HydrophobicContact CZ-CB 3.99Å; F668-Q719 PolarHBondContact N-O 3.39Å; F668-Q719 PolarHBondContact O-N 3.13Å; H717-Q719 PolarHBondContact O-N 2.75Å
720	P	93.1	Very high	91.3	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	132.9	168.3	-19.7	33.4	0	0	0	110.8	F726 F732	P720-F726 HydrophobicContact CB-CB 3.81Å; P720-F726 HydrophobicContact CG-CB 4.2Å; P720-F732 HydrophobicContact CB-CB 4.44Å; P720-F732 HydrophobicContact CB-CD2 4.02Å; P720-F732 HydrophobicContact CB-CG 4.46Å; P720-F732 HydrophobicContact CG-CB 3.93Å; P720-F732 HydrophobicContact CG-CD2 4.34Å; P720-F732 HydrophobicContact CG-CG 4.29Å
721	V	90.1	Very high	91.3	Very high	27 Å²	27	64.7 Å²	64.7	16%	0.164	33%	0.332	C	S	.	.	S	Bend	trans	-67.6	-41.5	-179	174.4	0	0	0	0	111.5	T666 F668 E723 S780 F782 I783	T666-V721 HydrophobicContact CG2-CG2 4Å; T666-V721 VanDerWaalsContact O-CB 3.31Å; T666-V721 WeakPolarHBondContact O-CB 3.24Å; T666-V721 VanDerWaalsContact O-CG2 3.32Å; T666-V721 WeakPolarHBondContact O-CG2 3.35Å; T666-V721 PolarHBondContact O-N 3.38Å; F668-V721 HydrophobicContact CD1-CG2 4.01Å; F668-V721 HydrophobicContact CE1-CG2 4.36Å; V721-E723 PolarHBondContact O-N 3.36Å; V721-S780 WeakPolarHBondContact CG1-OG 3.24Å; V721-F782 HydrophobicContact CG1-CB 4.46Å; V721-F782 HydrophobicContact CG1-CD2 4.47Å; V721-F782 HydrophobicContact CG2-CB 4.3Å; V721-F782 HydrophobicContact CG2-CD2 3.48Å; V721-F782 VanDerWaalsContact CG2-CD2 3.48Å; V721-F782 HydrophobicContact CG2-CE2 4.2Å; V721-F782 HydrophobicContact CG2-CG 4.22Å; V721-I783 HydrophobicContact CG1-CD1 3.9Å; V721-I783 HydrophobicContact CG1-CG1 4.1Å
722	N	85.9	Confident	91.4	Very high	33 Å²	33	62.6 Å²	62.6	18%	0.176	32%	0.315	C	S	.	.			trans	-96.6	83.4	175.5	-172.1	-22.2	0	0	0	110.7	N664 K724 R725 F726	N664-N722 PolarHBondContact OD1-ND2 2.51Å; N722-K724 PolarHBondContact O-N 3.45Å; N722-K724 WeakPolarHBondContact OD1-CB 3.01Å; N722-K724 PolarHBondContact OD1-N 3.42Å; N722-R725 HydrophobicContact CB-CB 4.45Å; N722-R725 PolarHBondContact O-N 3.29Å; N722-R725 PolarHBondContact OD1-N 3.22Å; N722-R725 VanDerWaalsContact OD1-N 3.1Å; N722-F726 PolarHBondContact O-N 3.05Å
723	E	85.3	Confident	91.5	Very high	135 Å²	135	61.7 Å²	61.7	63%	0.631	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.9	179.9	-62.1	-176.2	174.8	0	0	113.2	V721 R725 F726 P727	V721-E723 PolarHBondContact O-N 3.36Å; E723-R725 VanDerWaalsContact C-N 3.28Å; E723-R725 PolarHBondContact O-N 3.22Å; E723-F726 CarbonylContact O-C 3.51Å; E723-F726 VanDerWaalsContact O-C 3.32Å; E723-P727 VanDerWaalsContact O-CA 3.27Å; E723-P727 WeakPolarHBondContact O-CA 3.29Å; E723-P727 WeakPolarHBondContact O-CD 3.44Å; E723-P727 WeakPolarHBondContact O-CG 3.47Å; E723-P727 VanDerWaalsContact O-N 3.12Å
724	K	84.9	Confident	91.5	Very high	157 Å²	157	67.8 Å²	67.8	68%	0.683	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.9	177.3	-65.5	-175.7	178.1	-177.4	0	111.3	N722 E986	N722-K724 PolarHBondContact O-N 3.45Å; N722-K724 WeakPolarHBondContact OD1-CB 3.01Å; N722-K724 PolarHBondContact OD1-N 3.42Å; K724-E986 IonicContact NZ-OE1 3.49Å; K724-E986 PolarHBondContact NZ-OE1 3.22Å
725	R	82.6	Confident	91.4	Very high	53 Å²	53	69.2 Å²	69.2	20%	0.2	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-42.5	178.5	-174.9	174.4	-179.7	-176.2	-5.4	112.2	E660 N722 E723 P727	E660-R725 IonicContact OE1-CZ 3.34Å; E660-R725 IonicContact OE1-NH1 2.68Å; E660-R725 PolarHBondContact OE1-NH1 2.91Å; E660-R725 IonicContact OE1-NH2 3.12Å; E660-R725 PolarHBondContact OE1-NH2 3.14Å; E660-R725 IonicContact OE2-CZ 3.3Å; E660-R725 IonicContact OE2-NH1 3.39Å; E660-R725 PolarHBondContact OE2-NH1 2.9Å; E660-R725 IonicContact OE2-NH2 3.73Å; N722-R725 HydrophobicContact CB-CB 4.45Å; N722-R725 PolarHBondContact O-N 3.29Å; N722-R725 PolarHBondContact OD1-N 3.22Å; N722-R725 VanDerWaalsContact OD1-N 3.1Å; E723-R725 VanDerWaalsContact C-N 3.28Å; E723-R725 PolarHBondContact O-N 3.22Å; R725-P727 VanDerWaalsContact C-CD 3.49Å; R725-P727 WeakPolarHBondContact O-CD 3.4Å
726	F	89.9	Confident	91.4	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.035	31%	0.313	C	S	.	.			trans	-121.2	81.3	-178.5	-59.5	-67.6	0	0	0	110.6	M657 N664 P720 N722 E723 T728 F732 T735	M657-F726 HydrophobicContact CE-CD2 4.42Å; M657-F726 HydrophobicContact CE-CE1 3.94Å; M657-F726 HydrophobicContact CE-CE2 3.8Å; M657-F726 HydrophobicContact CE-CZ 3.53Å; M657-F726 HydrophobicContact SD-CE2 4.38Å; M657-F726 HydrophobicContact SD-CZ 3.98Å; N664-F726 WeakPolarHBondContact O-CE2 3.37Å; P720-F726 HydrophobicContact CB-CB 3.81Å; P720-F726 HydrophobicContact CG-CB 4.2Å; N722-F726 PolarHBondContact O-N 3.05Å; E723-F726 CarbonylContact O-C 3.51Å; E723-F726 VanDerWaalsContact O-C 3.32Å; F726-T728 PolarHBondContact O-N 3.12Å; F726-F732 HydrophobicContact CB-CB 4.12Å; F726-F732 HydrophobicContact CB-CD2 4.35Å; F726-F732 HydrophobicContact CD1-CB 4.34Å; F726-F732 AromaticContact CD2-CD2 3.96Å; F726-F732 HydrophobicContact CD2-CD2 3.96Å; F726-F732 HydrophobicContact CE2-CD2 4.41Å; F726-F732 HydrophobicContact CG-CB 4.23Å; F726-F732 HydrophobicContact CG-CD2 4.08Å; F726-T735 HydrophobicContact CE1-CG2 4.16Å; F726-T735 HydrophobicContact CZ-CG2 4.21Å
727	P	90.1	Very high	91.5	Very high	79 Å²	79	60.4 Å²	60.4	51%	0.513	29%	0.287	S	S	.	.	S	Bend	trans	-64.4	-13.3	-178.1	-24.3	32.7	0	0	0	115	E723 R725	E723-P727 VanDerWaalsContact O-CA 3.27Å; E723-P727 WeakPolarHBondContact O-CA 3.29Å; E723-P727 WeakPolarHBondContact O-CD 3.44Å; E723-P727 WeakPolarHBondContact O-CG 3.47Å; E723-P727 VanDerWaalsContact O-N 3.12Å; R725-P727 VanDerWaalsContact C-CD 3.49Å; R725-P727 WeakPolarHBondContact O-CD 3.4Å
728	T	92.4	Very high	91.3	Very high	63 Å²	63	61.8 Å²	61.8	39%	0.387	30%	0.303	S	S	.	.	S	Bend	trans	-146.5	147.5	-176.2	57.8	0	0	0	0	109.9	F726 R730 K731 F732	F726-T728 PolarHBondContact O-N 3.12Å; T728-R730 PolarHBondContact O-N 3.46Å; T728-K731 PolarHBondContact O-N 2.86Å; T728-K731 VanDerWaalsContact O-N 3.14Å; T728-K731 PolarHBondContact OG1-N 2.98Å; T728-F732 PolarHBondContact O-N 3.2Å
729	W	94.3	Very high	91.1	Very high	24 Å²	24	63.6 Å²	63.6	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-50.6	-41.7	171.4	172.3	-113.2	0	0	0	112.5	M636 F655 A667 L714 A718 K731 F732 L733	M636-W729 HydrophobicContact SD-CZ2 4.39Å; F655-W729 AromaticContact CD1-CH2 3.83Å; F655-W729 HydrophobicContact CD1-CH2 3.83Å; F655-W729 HydrophobicContact CD2-CH2 4.3Å; F655-W729 HydrophobicContact CD2-CZ3 4.42Å; F655-W729 HydrophobicContact CE1-CH2 4Å; F655-W729 HydrophobicContact CE2-CH2 4.48Å; F655-W729 HydrophobicContact CG-CH2 4Å; F655-W729 HydrophobicContact CG-CZ3 4.31Å; F655-W729 HydrophobicContact CZ-CH2 4.34Å; A667-W729 HydrophobicContact CB-CE3 4.44Å; A667-W729 HydrophobicContact CB-CZ3 3.97Å; L714-W729 HydrophobicContact CB-CZ2 4.15Å; L714-W729 HydrophobicContact CD1-CZ2 4.41Å; A718-W729 HydrophobicContact CB-CD2 3.59Å; A718-W729 HydrophobicContact CB-CE3 3.38Å; A718-W729 HydrophobicContact CB-CG 4.16Å; A718-W729 HydrophobicContact CB-CH2 4.19Å; A718-W729 HydrophobicContact CB-CZ2 4.37Å; A718-W729 HydrophobicContact CB-CZ3 3.7Å; W729-K731 VanDerWaalsContact C-N 3.34Å; W729-K731 PolarHBondContact O-N 3.11Å; W729-F732 HydrophobicContact CE3-CB 4.46Å; W729-F732 AromaticContact CE3-CD1 3.76Å; W729-F732 HydrophobicContact CE3-CD1 3.76Å; W729-F732 HydrophobicContact CE3-CE1 4.46Å; W729-F732 HydrophobicContact CE3-CG 4.37Å; W729-F732 HydrophobicContact CH2-CD1 4.22Å; W729-F732 HydrophobicContact CH2-CE1 4.34Å; W729-F732 AromaticContact CZ3-CD1 3.45Å; W729-F732 HydrophobicContact CZ3-CD1 3.45Å; W729-F732 VanDerWaalsContact CZ3-CD1 3.45Å; W729-F732 AromaticContact CZ3-CE1 3.73Å; W729-F732 HydrophobicContact CZ3-CE1 3.73Å; W729-F732 HydrophobicContact CZ3-CG 4.41Å; W729-F732 CarbonylContact O-C 3.56Å; W729-F732 WeakPolarHBondContact O-CB 3.42Å; W729-F732 PolarHBondContact O-N 2.92Å; W729-F732 VanDerWaalsContact O-N 3.14Å; W729-L733 HydrophobicContact CD2-CB 4.46Å; W729-L733 HydrophobicContact CH2-CD1 4.48Å; W729-L733 HydrophobicContact CZ2-CB 4.31Å; W729-L733 HydrophobicContact CZ2-CD1 3.94Å; W729-L733 HydrophobicContact CZ2-CD2 4.36Å; W729-L733 HydrophobicContact CZ2-CG 4.44Å; W729-L733 WeakPolarHBondContact O-CB 3.36Å; W729-L733 PolarHBondContact O-N 2.98Å
730	R	94.3	Very high	91.1	Very high	189 Å²	189	59.2 Å²	59.2	71%	0.713	29%	0.29	S	S	*	.	H	α-helix	trans	-57.6	-43.2	179.9	-175.9	176.3	59.8	127.2	-1.4	113.2	T728 Q734	T728-R730 PolarHBondContact O-N 3.46Å; R730-Q734 WeakPolarHBondContact O-CB 3.49Å; R730-Q734 PolarHBondContact O-N 2.71Å
731	K	92.8	Very high	91.2	Very high	106 Å²	106	58.6 Å²	58.6	46%	0.461	29%	0.286	S	S	.	.	H	α-helix	trans	-69.5	-39.6	177.2	-76.1	-175.9	174.6	-176.8	0	111.7	T728 W729 T735	T728-K731 PolarHBondContact O-N 2.86Å; T728-K731 VanDerWaalsContact O-N 3.14Å; T728-K731 PolarHBondContact OG1-N 2.98Å; W729-K731 VanDerWaalsContact C-N 3.34Å; W729-K731 PolarHBondContact O-N 3.11Å; K731-T735 PolarHBondContact O-N 3.48Å; K731-T735 PolarHBondContact O-OG1 3.38Å
732	F	94.4	Very high	91.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-55.1	173.4	179.8	-85.2	0	0	0	110.3	F655 M657 G665 A667 P720 F726 T728 W729 Q734 T735 F736	F655-F732 HydrophobicContact CB-CE1 3.93Å; F655-F732 HydrophobicContact CB-CZ 4.13Å; M657-F732 HydrophobicContact CE-CB 4.45Å; M657-F732 HydrophobicContact CE-CD1 4.15Å; M657-F732 HydrophobicContact CE-CD2 3.36Å; M657-F732 HydrophobicContact CE-CE1 4.18Å; M657-F732 HydrophobicContact CE-CE2 3.42Å; M657-F732 VanDerWaalsContact CE-CE2 3.42Å; M657-F732 HydrophobicContact CE-CG 3.74Å; M657-F732 HydrophobicContact CE-CZ 3.82Å; M657-F732 VanDerWaalsContact CE-O 3.28Å; M657-F732 WeakPolarHBondContact CE-O 3.45Å; M657-F732 HydrophobicContact CG-CE2 4.5Å; M657-F732 HydrophobicContact CG-CZ 4.3Å; G665-F732 WeakPolarHBondContact O-CE2 3.48Å; G665-F732 WeakPolarHBondContact O-CZ 3.19Å; A667-F732 HydrophobicContact CB-CD1 4.03Å; A667-F732 HydrophobicContact CB-CD2 4.07Å; A667-F732 HydrophobicContact CB-CE1 3.63Å; A667-F732 HydrophobicContact CB-CE2 3.65Å; A667-F732 HydrophobicContact CB-CG 4.25Å; A667-F732 HydrophobicContact CB-CZ 3.43Å; A667-F732 VanDerWaalsContact CB-CZ 3.43Å; P720-F732 HydrophobicContact CB-CB 4.44Å; P720-F732 HydrophobicContact CB-CD2 4.02Å; P720-F732 HydrophobicContact CB-CG 4.46Å; P720-F732 HydrophobicContact CG-CB 3.93Å; P720-F732 HydrophobicContact CG-CD2 4.34Å; P720-F732 HydrophobicContact CG-CG 4.29Å; F726-F732 HydrophobicContact CB-CB 4.12Å; F726-F732 HydrophobicContact CB-CD2 4.35Å; F726-F732 HydrophobicContact CD1-CB 4.34Å; F726-F732 AromaticContact CD2-CD2 3.96Å; F726-F732 HydrophobicContact CD2-CD2 3.96Å; F726-F732 HydrophobicContact CE2-CD2 4.41Å; F726-F732 HydrophobicContact CG-CB 4.23Å; F726-F732 HydrophobicContact CG-CD2 4.08Å; T728-F732 PolarHBondContact O-N 3.2Å; W729-F732 HydrophobicContact CE3-CB 4.46Å; W729-F732 AromaticContact CE3-CD1 3.76Å; W729-F732 HydrophobicContact CE3-CD1 3.76Å; W729-F732 HydrophobicContact CE3-CE1 4.46Å; W729-F732 HydrophobicContact CE3-CG 4.37Å; W729-F732 HydrophobicContact CH2-CD1 4.22Å; W729-F732 HydrophobicContact CH2-CE1 4.34Å; W729-F732 AromaticContact CZ3-CD1 3.45Å; W729-F732 HydrophobicContact CZ3-CD1 3.45Å; W729-F732 VanDerWaalsContact CZ3-CD1 3.45Å; W729-F732 AromaticContact CZ3-CE1 3.73Å; W729-F732 HydrophobicContact CZ3-CE1 3.73Å; W729-F732 HydrophobicContact CZ3-CG 4.41Å; W729-F732 CarbonylContact O-C 3.56Å; W729-F732 WeakPolarHBondContact O-CB 3.42Å; W729-F732 PolarHBondContact O-N 2.92Å; W729-F732 VanDerWaalsContact O-N 3.14Å; F732-Q734 PolarHBondContact O-N 3.37Å; F732-T735 PolarHBondContact O-N 2.82Å; F732-F736 HydrophobicContact CD1-CB 4.37Å; F732-F736 HydrophobicContact CE1-CB 4.14Å; F732-F736 AromaticContact CE1-CD2 3.95Å; F732-F736 HydrophobicContact CE1-CD2 3.95Å; F732-F736 HydrophobicContact CE1-CG 4.29Å; F732-F736 HydrophobicContact CZ-CD2 4.26Å; F732-F736 WeakPolarHBondContact O-CB 3.3Å; F732-F736 PolarHBondContact O-N 2.84Å
733	L	94.8	Very high	91.9	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-43.8	-177.7	-177.3	62.6	0	0	0	112.3	M636 W729 T735 F736 L737	M636-L733 HydrophobicContact CE-CD1 3.5Å; M636-L733 VanDerWaalsContact CE-CD1 3.5Å; M636-L733 HydrophobicContact SD-CD1 3.79Å; W729-L733 HydrophobicContact CD2-CB 4.46Å; W729-L733 HydrophobicContact CH2-CD1 4.48Å; W729-L733 HydrophobicContact CZ2-CB 4.31Å; W729-L733 HydrophobicContact CZ2-CD1 3.94Å; W729-L733 HydrophobicContact CZ2-CD2 4.36Å; W729-L733 HydrophobicContact CZ2-CG 4.44Å; W729-L733 WeakPolarHBondContact O-CB 3.36Å; W729-L733 PolarHBondContact O-N 2.98Å; L733-T735 PolarHBondContact O-N 2.75Å; L733-F736 PolarHBondContact O-N 3.47Å; L733-L737 HydrophobicContact CD1-CD1 3.88Å; L733-L737 HydrophobicContact CD1-CD2 4.27Å; L733-L737 HydrophobicContact CD1-CG 3.86Å; L733-L737 HydrophobicContact CG-CD1 3.89Å; L733-L737 HydrophobicContact CG-CG 4.26Å; L733-L737 WeakPolarHBondContact O-CB 3.48Å; L733-L737 VanDerWaalsContact O-CG 3.28Å; L733-L737 WeakPolarHBondContact O-CG 3.46Å; L733-L737 PolarHBondContact O-N 3.12Å
734	Q	93.6	Very high	92.4	Very high	140 Å²	140	49.4 Å²	49.4	65%	0.654	24%	0.24	S	C	*	.	H	α-helix	trans	-56.7	-41.4	175.8	-177.5	-179.4	2.9	0	0	111.8	R730 F732 S738	R730-Q734 WeakPolarHBondContact O-CB 3.49Å; R730-Q734 PolarHBondContact O-N 2.71Å; F732-Q734 PolarHBondContact O-N 3.37Å; Q734-S738 WeakPolarHBondContact O-CB 3.48Å; Q734-S738 PolarHBondContact O-N 3Å
735	T	91.8	Very high	92.9	Very high	33 Å²	33	42 Å²	42	20%	0.202	21%	0.208	C	C	.	.	H	α-helix	trans	-75	-43.7	-179.9	-50.7	0	0	0	0	111	M657 F726 K731 F732 L733 L737 S738 Q739	M657-T735 HydrophobicContact CE-CG2 4.22Å; M657-T735 HydrophobicContact SD-CG2 3.81Å; F726-T735 HydrophobicContact CE1-CG2 4.16Å; F726-T735 HydrophobicContact CZ-CG2 4.21Å; K731-T735 PolarHBondContact O-N 3.48Å; K731-T735 PolarHBondContact O-OG1 3.38Å; F732-T735 PolarHBondContact O-N 2.82Å; L733-T735 PolarHBondContact O-N 2.75Å; T735-L737 PolarHBondContact O-N 2.98Å; T735-S738 PolarHBondContact O-N 3.34Å; T735-S738 VanDerWaalsContact O-N 3.13Å; T735-S738 PolarHBondContact O-OG 3.37Å; T735-Q739 PolarHBondContact O-N 3.49Å; T735-Q739 VanDerWaalsContact O-N 3.12Å
736	F	94.4	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-53.3	-51.7	175.7	-179.7	-84.9	0	0	0	111.1	I630 M636 F655 M657 F732 L733 S738 Q739 G740 I743	I630-F736 HydrophobicContact CB-CE1 3.9Å; I630-F736 HydrophobicContact CB-CZ 4.29Å; I630-F736 HydrophobicContact CD1-CZ 4.49Å; I630-F736 HydrophobicContact CG2-CE1 3.85Å; M636-F736 HydrophobicContact CE-CD1 3.5Å; M636-F736 VanDerWaalsContact CE-CD1 3.5Å; M636-F736 HydrophobicContact CE-CE1 3.24Å; M636-F736 HydrophobicContact CE-CZ 4.09Å; F655-F736 HydrophobicContact CB-CE2 4.21Å; M657-F736 HydrophobicContact CE-CB 4.17Å; M657-F736 HydrophobicContact CG-CB 4.12Å; M657-F736 HydrophobicContact CG-CD2 3.85Å; M657-F736 HydrophobicContact CG-CG 4.44Å; F732-F736 HydrophobicContact CD1-CB 4.37Å; F732-F736 HydrophobicContact CE1-CB 4.14Å; F732-F736 AromaticContact CE1-CD2 3.95Å; F732-F736 HydrophobicContact CE1-CD2 3.95Å; F732-F736 HydrophobicContact CE1-CG 4.29Å; F732-F736 HydrophobicContact CZ-CD2 4.26Å; F732-F736 WeakPolarHBondContact O-CB 3.3Å; F732-F736 PolarHBondContact O-N 2.84Å; L733-F736 PolarHBondContact O-N 3.47Å; F736-S738 VanDerWaalsContact C-N 3.3Å; F736-S738 PolarHBondContact O-N 3.39Å; F736-Q739 PolarHBondContact O-N 3.42Å; F736-G740 CarbonylContact O-C 3.5Å; F736-G740 WeakPolarHBondContact O-CA 3.42Å; F736-G740 PolarHBondContact O-N 2.8Å; F736-I743 HydrophobicContact CZ-CG1 4.46Å
737	L	94.5	Very high	93.6	Very high	34 Å²	34	41 Å²	41	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-28.5	180	-63.1	176	0	0	0	113.1	I630 Q633 M636 L733 T735	I630-L737 HydrophobicContact CG2-CD2 4.37Å; Q633-L737 HydrophobicContact CB-CD1 4.04Å; M636-L737 HydrophobicContact CE-CD2 4.13Å; L733-L737 HydrophobicContact CD1-CD1 3.88Å; L733-L737 HydrophobicContact CD1-CD2 4.27Å; L733-L737 HydrophobicContact CD1-CG 3.86Å; L733-L737 HydrophobicContact CG-CD1 3.89Å; L733-L737 HydrophobicContact CG-CG 4.26Å; L733-L737 WeakPolarHBondContact O-CB 3.48Å; L733-L737 VanDerWaalsContact O-CG 3.28Å; L733-L737 WeakPolarHBondContact O-CG 3.46Å; L733-L737 PolarHBondContact O-N 3.12Å; T735-L737 PolarHBondContact O-N 2.98Å
738	S	91.1	Very high	93.5	Very high	87 Å²	87	39.1 Å²	39.1	61%	0.608	19%	0.194	S	C	*	.	H	α-helix	trans	-74.1	-28.5	178.1	74.2	0	0	0	0	113.8	Q734 T735 F736	Q734-S738 WeakPolarHBondContact O-CB 3.48Å; Q734-S738 PolarHBondContact O-N 3Å; T735-S738 PolarHBondContact O-N 3.34Å; T735-S738 VanDerWaalsContact O-N 3.13Å; T735-S738 PolarHBondContact O-OG 3.37Å; F736-S738 VanDerWaalsContact C-N 3.3Å; F736-S738 PolarHBondContact O-N 3.39Å
739	Q	89.3	Confident	93.2	Very high	47 Å²	47	37 Å²	37	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-103.2	-23.1	-176.6	-63.1	-174.7	21.9	0	0	112.8	T735 F736	T735-Q739 PolarHBondContact O-N 3.49Å; T735-Q739 VanDerWaalsContact O-N 3.12Å; F736-Q739 PolarHBondContact O-N 3.42Å
740	G	93.3	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.			trans	89.6	158.9	-163.3	0	0	0	0	0	111.3	I630 D658 F736	I630-G740 WeakPolarHBondContact O-CA 3.36Å; D658-G740 PolarHBondContact N-O 2.84Å; F736-G740 CarbonylContact O-C 3.5Å; F736-G740 WeakPolarHBondContact O-CA 3.42Å; F736-G740 PolarHBondContact O-N 2.8Å
741	G	94.8	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	175.5	173.1	0	0	0	0	0	112.5	I630 K656	I630-G741 PolarHBondContact N-O 3.41Å; I630-G741 VanDerWaalsContact N-O 3.13Å; K656-G741 CarbonylContact O-C 3.53Å; K656-G741 WeakPolarHBondContact O-CA 3.19Å
742	V	95.9	Very high	91.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.8	-176.4	-172.7	0	0	0	0	109.1	K609 S610 K613 I627 D628 K656 E744	K609-V742 HydrophobicContact CB-CB 4.3Å; K609-V742 HydrophobicContact CB-CG2 3.6Å; S610-V742 VanDerWaalsContact N-CG2 3.33Å; S610-V742 VanDerWaalsContact OG-CG2 3.28Å; S610-V742 WeakPolarHBondContact OG-CG2 3.41Å; K613-V742 HydrophobicContact CG-CG1 4.45Å; I627-V742 CarbonylContact O-C 3.41Å; I627-V742 VanDerWaalsContact O-CA 3.25Å; I627-V742 WeakPolarHBondContact O-CA 3.24Å; I627-V742 WeakPolarHBondContact O-CG1 3.42Å; D628-V742 HydrophobicContact CB-CG1 4.45Å; D628-V742 HydrophobicContact CB-CG2 4.05Å; K656-V742 PolarHBondContact N-O 3.37Å; K656-V742 PolarHBondContact O-N 3.2Å; V742-E744 HydrophobicContact CG1-CG 3.58Å
743	I	96.6	Very high	91.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.1	166.2	-65.1	169.7	0	0	0	108.5	G626 I627 I630 M636 L640 L643 W653 L654 F655 F736	G626-I743 CarbonylContact C-O 3.47Å; G626-I743 WeakPolarHBondContact CA-O 3.46Å; I627-I743 HydrophobicContact CD1-CB 4.41Å; I627-I743 PolarHBondContact N-O 2.98Å; I627-I743 PolarHBondContact O-N 3.14Å; I630-I743 HydrophobicContact CD1-CB 4.15Å; I630-I743 HydrophobicContact CD1-CD1 3.36Å; I630-I743 HydrophobicContact CD1-CG1 3.56Å; M636-I743 HydrophobicContact CG-CD1 3.84Å; L640-I743 HydrophobicContact CB-CD1 4.42Å; L640-I743 HydrophobicContact CD1-CG2 4.02Å; L640-I743 HydrophobicContact CD2-CD1 4.34Å; L643-I743 HydrophobicContact CD2-CG2 4.35Å; W653-I743 HydrophobicContact CE3-CG2 4.11Å; L654-I743 CarbonylContact O-C 3.58Å; L654-I743 VanDerWaalsContact O-CA 3.24Å; L654-I743 WeakPolarHBondContact O-CA 3.34Å; F655-I743 HydrophobicContact CD1-CD1 3.73Å; F655-I743 HydrophobicContact CD1-CG1 3.56Å; F655-I743 HydrophobicContact CE1-CD1 3.52Å; F655-I743 HydrophobicContact CE1-CG1 3.8Å; F655-I743 HydrophobicContact CG-CG1 4.35Å; F736-I743 HydrophobicContact CZ-CG1 4.46Å
744	E	95.6	Very high	91.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.8	-176	-62.6	-179	168.2	0	0	111.4	K613 P624 P625 L654 K656 V742	K613-E744 WeakPolarHBondContact CE-OE1 3.24Å; K613-E744 IonicContact NZ-OE1 3.25Å; K613-E744 PolarHBondContact NZ-OE1 3.42Å; P624-E744 HydrophobicContact CB-CB 4.17Å; P625-E744 CarbonylContact O-C 3.47Å; L654-E744 PolarHBondContact N-O 2.96Å; L654-E744 PolarHBondContact O-N 3.45Å; K656-E744 WeakPolarHBondContact CE-OE2 3.39Å; K656-E744 IonicContact NZ-OE2 2.74Å; K656-E744 PolarHBondContact NZ-OE2 2.83Å; V742-E744 HydrophobicContact CG1-CG 3.58Å
745	A	95.3	Very high	91.7	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	134.8	166.6	0	0	0	0	0	110.8	P624 P625 I650 W653 W837	P624-A745 HydrophobicContact CB-CB 4.37Å; P625-A745 HydrophobicContact CB-CB 4.19Å; P625-A745 HydrophobicContact CG-CB 4.27Å; P625-A745 WeakPolarHBondContact O-CB 3.4Å; P625-A745 PolarHBondContact O-N 3.37Å; I650-A745 HydrophobicContact CD1-CB 3.48Å; I650-A745 VanDerWaalsContact CD1-CB 3.48Å; I650-A745 HydrophobicContact CG1-CB 4.29Å; I650-A745 HydrophobicContact CG2-CB 4.2Å; W653-A745 HydrophobicContact CH2-CB 4.46Å; W653-A745 HydrophobicContact CZ3-CB 3.94Å; A745-W837 HydrophobicContact CB-CZ3 4.49Å
746	F	94.4	Very high	91.9	Very high	30 Å²	30	30.8 Å²	30.8	13%	0.132	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-78.2	141.9	157.1	-170.2	-100.3	0	0	0	109	R652 L654 I752 F782	R652-F746 HydrophobicContact CB-CB 3.64Å; R652-F746 HydrophobicContact CB-CD1 4.27Å; R652-F746 HydrophobicContact CB-CG 4.11Å; R652-F746 HydrophobicContact CG-CB 3.82Å; R652-F746 HydrophobicContact CG-CG 4.16Å; R652-F746 WeakPolarHBondContact O-CB 3.19Å; R652-F746 PolarHBondContact O-N 3.25Å; L654-F746 HydrophobicContact CD1-CD2 4.16Å; L654-F746 HydrophobicContact CD2-CD2 4.16Å; L654-F746 HydrophobicContact CG-CB 4.35Å; L654-F746 HydrophobicContact CG-CD2 4.39Å; F746-I752 HydrophobicContact CE1-CD1 4.49Å; F746-I752 HydrophobicContact CE2-CD1 3.59Å; F746-I752 HydrophobicContact CZ-CD1 3.45Å; F746-I752 VanDerWaalsContact CZ-CD1 3.45Å; F746-I752 HydrophobicContact CZ-CG1 4.18Å; F746-I752 HydrophobicContact CZ-CG2 4.43Å; F746-F782 AromaticContact CD2-CE1 3.81Å; F746-F782 HydrophobicContact CD2-CE1 3.81Å; F746-F782 HydrophobicContact CD2-CZ 4.26Å; F746-F782 AromaticContact CE2-CE1 3.65Å; F746-F782 HydrophobicContact CE2-CE1 3.65Å; F746-F782 HydrophobicContact CE2-CZ 4.11Å
747	P	92.6	Very high	92	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.065	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-52.8	137.7	176.8	-27.6	35.4	0	0	0	112.7	A749 I752 V824 F826 W837	P747-A749 PolarHBondContact O-N 3.2Å; P747-I752 HydrophobicContact CB-CG2 3.87Å; P747-I752 HydrophobicContact CG-CG2 4.11Å; P747-V824 HydrophobicContact CG-CG1 4.05Å; P747-V824 HydrophobicContact CG-CG2 3.98Å; P747-F826 HydrophobicContact CB-CB 4.29Å; P747-F826 HydrophobicContact CB-CD1 3.57Å; P747-F826 HydrophobicContact CB-CD2 4.06Å; P747-F826 HydrophobicContact CB-CE1 3.82Å; P747-F826 HydrophobicContact CB-CE2 4.29Å; P747-F826 HydrophobicContact CB-CG 3.7Å; P747-F826 HydrophobicContact CB-CZ 4.18Å; P747-F826 HydrophobicContact CG-CD1 3.95Å; P747-F826 HydrophobicContact CG-CE1 4.18Å; P747-W837 HydrophobicContact CB-CZ3 4.18Å; P747-W837 HydrophobicContact CG-CE3 4.1Å; P747-W837 HydrophobicContact CG-CZ3 3.99Å
748	P	88.2	Confident	92.2	Very high	39 Å²	39	29.3 Å²	29.3	25%	0.253	17%	0.173	S	C	.	.	S	Bend	trans	-78.3	47.4	-179.3	35.1	-38	0	0	0	111.8	F826 P829	P748-F826 HydrophobicContact CG-CE2 4.13Å; P748-P829 VanDerWaalsContact O-CD 3.23Å; P748-P829 WeakPolarHBondContact O-CD 3.38Å; P748-P829 VanDerWaalsContact O-CG 3.24Å; P748-P829 WeakPolarHBondContact O-CG 3.26Å
749	A	85.7	Confident	92.5	Very high	18 Å²	18	25.2 Å²	25.2	15%	0.149	14%	0.144	C	C	.	.	S	Bend	trans	-139.4	146.7	-178.1	0	0	0	0	0	111.3	P747 F826	P747-A749 PolarHBondContact O-N 3.2Å; A749-F826 HydrophobicContact CB-CB 3.9Å; A749-F826 HydrophobicContact CB-CD2 3.86Å; A749-F826 HydrophobicContact CB-CG 4.27Å
750	D	78	Confident	92.9	Very high	183 Å²	183	23.6 Å²	23.6	98%	0.979	14%	0.137	S	C	*	.	S	Bend	trans	-73.9	-29	179.2	-64.3	-32.5	0	0	0	112.4
751	S	82.9	Confident	93.1	Very high	66 Å²	66	23.7 Å²	23.7	46%	0.462	14%	0.138	S	C	.	.			trans	-114.3	120.8	177.6	-173.3	0	0	0	0	110
752	I	90.4	Very high	93.2	Very high	44 Å²	44	24.5 Å²	24.5	23%	0.226	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.3	176.8	65.8	159.8	0	0	0	109.7	F746 P747 V824 F826	F746-I752 HydrophobicContact CE1-CD1 4.49Å; F746-I752 HydrophobicContact CE2-CD1 3.59Å; F746-I752 HydrophobicContact CZ-CD1 3.45Å; F746-I752 VanDerWaalsContact CZ-CD1 3.45Å; F746-I752 HydrophobicContact CZ-CG1 4.18Å; F746-I752 HydrophobicContact CZ-CG2 4.43Å; P747-I752 HydrophobicContact CB-CG2 3.87Å; P747-I752 HydrophobicContact CG-CG2 4.11Å; I752-V824 HydrophobicContact CB-CG2 4.08Å; I752-V824 HydrophobicContact CD1-CG2 4.24Å; I752-F826 HydrophobicContact CG2-CB 4.06Å
753	T	91.8	Very high	93.2	Very high	49 Å²	49	25.3 Å²	25.3	30%	0.301	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127	171.1	-58.2	0	0	0	0	109.1	D774 V824 T825	T753-D774 HydrophobicContact CG2-CB 4.07Å; T753-V824 WeakPolarHBondContact O-CA 2.75Å; T753-T825 PolarHBondContact N-O 3.49Å; T753-T825 PolarHBondContact O-N 2.86Å
754	N	93.9	Very high	93	Very high	25 Å²	25	28.5 Å²	28.5	13%	0.134	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	145.8	173.5	-55.1	-21.7	0	0	0	109.2	Q775 H777 L823 V824	N754-Q775 HydrophobicContact CB-CB 4.08Å; N754-Q775 HydrophobicContact CB-CG 4.26Å; N754-Q775 WeakPolarHBondContact O-CB 3.25Å; N754-Q775 PolarHBondContact O-N 3.04Å; N754-H777 PolarHBondContact ND2-CE1 2.9Å; N754-H777 VanDerWaalsContact ND2-CE1 3.3Å; N754-H777 PolarHBondContact ND2-NE2 3.46Å; N754-L823 CarbonylContact C-O 3.56Å; N754-L823 VanDerWaalsContact CA-O 3.24Å; N754-L823 WeakPolarHBondContact CA-O 3.15Å; N754-V824 VanDerWaalsContact OD1-CG2 3.26Å; N754-V824 WeakPolarHBondContact OD1-CG2 3.32Å
755	L	94.9	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150	178.2	-56.3	90.1	0	0	0	110.4	G773 Q791 S793 V794 L799 D822 L823 T825	L755-G773 CarbonylContact C-O 3.58Å; L755-G773 VanDerWaalsContact CA-O 3.29Å; L755-G773 WeakPolarHBondContact CA-O 3.45Å; L755-Q791 HydrophobicContact CD2-CB 4.07Å; L755-Q791 HydrophobicContact CD2-CG 4.15Å; L755-S793 WeakPolarHBondContact CD2-OG 3.5Å; L755-V794 HydrophobicContact CD1-CG2 3.99Å; L755-V794 HydrophobicContact CD2-CB 4.33Å; L755-V794 HydrophobicContact CD2-CG2 3.89Å; L755-L799 HydrophobicContact CD2-CD2 4.2Å; L755-D822 WeakPolarHBondContact O-CA 3.48Å; L755-L823 HydrophobicContact CB-CB 4.33Å; L755-L823 HydrophobicContact CD1-CB 4.39Å; L755-L823 PolarHBondContact N-O 2.94Å; L755-L823 PolarHBondContact O-N 3.34Å; L755-T825 HydrophobicContact CD1-CG2 3.77Å
756	T	96	Very high	93	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.5	167	-40.9	0	0	0	0	109.6	G773 Q775 I821 Q848	T756-G773 PolarHBondContact N-O 2.79Å; T756-G773 PolarHBondContact O-N 2.87Å; T756-Q775 VanDerWaalsContact OG1-CG 3.29Å; T756-Q775 WeakPolarHBondContact OG1-CG 3.43Å; T756-Q775 PolarHBondContact OG1-NE2 2.97Å; T756-I821 WeakPolarHBondContact CA-O 3.18Å; T756-Q848 PolarHBondContact O-NE2 2.78Å
757	V	97.4	Very high	93.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.6	172.8	-177.1	0	0	0	0	109.7	M759 V769 S771 T772 L799 C803 S820 I821 L823	V757-M759 HydrophobicContact CG1-CG 4.33Å; V757-M759 HydrophobicContact CG1-SD 4.02Å; V757-V769 HydrophobicContact CG1-CG1 3.7Å; V757-S771 CarbonylContact C-O 3.56Å; V757-S771 WeakPolarHBondContact CA-O 3.42Å; V757-T772 HydrophobicContact CG1-CG2 4.07Å; V757-T772 HydrophobicContact CG2-CG2 4.18Å; V757-L799 HydrophobicContact CG2-CD1 3.95Å; V757-L799 HydrophobicContact CG2-CD2 4.05Å; V757-L799 HydrophobicContact CG2-CG 4.17Å; V757-C803 HydrophobicContact CG1-CB 4.31Å; V757-S820 CarbonylContact O-C 3.53Å; V757-S820 VanDerWaalsContact O-CA 3.3Å; V757-S820 WeakPolarHBondContact O-CA 3.48Å; V757-I821 PolarHBondContact N-O 3.3Å; V757-I821 PolarHBondContact O-N 2.84Å; V757-L823 HydrophobicContact CG2-CD1 3.97Å
758	D	97.8	Very high	93.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.6	177.8	-60.9	-57.8	0	0	0	110.5	L770 S771 S820 S846 Q848 L849	D758-L770 HydrophobicContact CB-CB 4.43Å; D758-L770 PolarHBondContact O-N 2.82Å; D758-S771 PolarHBondContact N-O 2.8Å; D758-S771 PolarHBondContact O-N 3.46Å; D758-S771 WeakPolarHBondContact OD2-CB 3.27Å; D758-S820 WeakPolarHBondContact OD1-CB 3.2Å; D758-S846 WeakPolarHBondContact OD1-CB 3.26Å; D758-S846 PolarHBondContact OD1-OG 2.81Å; D758-S846 PolarHBondContact OD2-OG 2.81Å; D758-Q848 PolarHBondContact OD2-NE2 2.8Å; D758-L849 HydrophobicContact CB-CB 4.15Å; D758-L849 HydrophobicContact CB-CD1 4.32Å; D758-L849 PolarHBondContact OD2-N 2.84Å
759	M	97.6	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.6	-171.8	-61.2	-73.3	-69.7	0	0	110.4	V757 I767 S768 V769 C803 Y818 F819 I821	V757-M759 HydrophobicContact CG1-CG 4.33Å; V757-M759 HydrophobicContact CG1-SD 4.02Å; M759-I767 HydrophobicContact CE-CG2 3.51Å; M759-S768 WeakPolarHBondContact CA-O 3.29Å; M759-V769 HydrophobicContact CE-CG2 4.24Å; M759-V769 HydrophobicContact SD-CB 4.04Å; M759-V769 HydrophobicContact SD-CG1 4.13Å; M759-V769 HydrophobicContact SD-CG2 3.68Å; M759-C803 HydrophobicContact CE-CB 4.28Å; M759-C803 WeakPolarHBondContact CE-O 3.32Å; M759-C803 HydrophobicContact SD-CB 3.99Å; M759-Y818 WeakPolarHBondContact O-CA 3.47Å; M759-F819 HydrophobicContact CB-CD1 3.85Å; M759-F819 HydrophobicContact CB-CD2 3.93Å; M759-F819 HydrophobicContact CB-CE1 3.38Å; M759-F819 HydrophobicContact CB-CE2 3.52Å; M759-F819 HydrophobicContact CB-CG 4.1Å; M759-F819 HydrophobicContact CB-CZ 3.23Å; M759-F819 HydrophobicContact CE-CZ 4.26Å; M759-F819 HydrophobicContact CG-CD2 4.34Å; M759-F819 HydrophobicContact CG-CE1 4.43Å; M759-F819 HydrophobicContact CG-CE2 3.75Å; M759-F819 HydrophobicContact CG-CZ 3.8Å; M759-F819 PolarHBondContact N-O 2.85Å; M759-F819 PolarHBondContact O-N 2.87Å; M759-I821 HydrophobicContact CG-CD1 3.97Å; M759-I821 HydrophobicContact CG-CG1 4.43Å
760	L	97.7	Very high	94.1	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.073	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.6	170.8	170.6	65.2	0	0	0	109.7	E762 I767 S768 L770 Y818	L760-E762 HydrophobicContact CD2-CG 4.22Å; L760-E762 HydrophobicContact CG-CG 4.34Å; L760-I767 WeakPolarHBondContact O-CA 3.26Å; L760-S768 PolarHBondContact N-O 2.86Å; L760-S768 PolarHBondContact O-N 2.85Å; L760-S768 PolarHBondContact O-OG 3.03Å; L760-L770 HydrophobicContact CB-CD1 3.68Å; L760-L770 HydrophobicContact CB-CD2 4.34Å; L760-L770 HydrophobicContact CB-CG 4.06Å; L760-L770 HydrophobicContact CD2-CD1 4.48Å; L760-Y818 HydrophobicContact CB-CD1 4.26Å; L760-Y818 HydrophobicContact CB-CE1 4.4Å; L760-Y818 HydrophobicContact CD1-CD1 4.03Å; L760-Y818 HydrophobicContact CD1-CD2 4.27Å; L760-Y818 HydrophobicContact CD1-CE1 4.02Å; L760-Y818 HydrophobicContact CD1-CE2 4.24Å; L760-Y818 HydrophobicContact CD1-CG 4.17Å; L760-Y818 HydrophobicContact CD2-CE1 4.13Å; L760-Y818 HydrophobicContact CG-CE1 4.42Å
761	I	97.9	Very high	95	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.2	160.4	-68.8	153.3	0	0	0	107.3	K766 I767 C810 R811 V815 G817 F819	I761-K766 WeakPolarHBondContact CA-O 3.4Å; I761-I767 HydrophobicContact CG1-CG1 3.95Å; I761-C810 HydrophobicContact CD1-CB 3.74Å; I761-R811 HydrophobicContact CD1-CB 4.4Å; I761-V815 HydrophobicContact CD1-CB 4.2Å; I761-V815 HydrophobicContact CD1-CG1 4.06Å; I761-V815 WeakPolarHBondContact CD1-O 3.21Å; I761-V815 WeakPolarHBondContact CG2-O 3.47Å; I761-G817 PolarHBondContact N-O 3.5Å; I761-G817 PolarHBondContact O-N 2.96Å; I761-F819 HydrophobicContact CD1-CD1 4.33Å; I761-F819 HydrophobicContact CD1-CE1 3.54Å; I761-F819 HydrophobicContact CD1-CZ 4.04Å; I761-F819 HydrophobicContact CG1-CE1 3.75Å; I761-F819 HydrophobicContact CG1-CZ 4.41Å
762	E	96.4	Very high	95.6	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.075	13%	0.134	C	C	.	.			trans	-65	156.8	174	-71	-172.2	158.7	0	0	110.8	W441 R445 L760 N764 G765 K766	W441-E762 HydrophobicContact CZ2-CG 4.37Å; W441-E762 VanDerWaalsContact NE1-CD 3.34Å; W441-E762 PolarHBondContact NE1-OE2 3.25Å; R445-E762 IonicContact NH1-OE1 2.75Å; L760-E762 HydrophobicContact CD2-CG 4.22Å; L760-E762 HydrophobicContact CG-CG 4.34Å; E762-N764 WeakPolarHBondContact CB-OD1 3.35Å; E762-N764 PolarHBondContact O-N 3.32Å; E762-N764 PolarHBondContact OE2-ND2 2.95Å; E762-N764 PolarHBondContact OE2-OD1 3.38Å; E762-G765 WeakPolarHBondContact O-CA 3.43Å; E762-G765 PolarHBondContact O-N 3.47Å; E762-K766 HydrophobicContact CB-CB 4.25Å; E762-K766 HydrophobicContact CG-CB 4.49Å; E762-K766 PolarHBondContact N-O 3.17Å
763	P	95.4	Very high	95.9	Very high	18 Å²	18	22.2 Å²	22.2	12%	0.117	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.1	177.2	-28.6	38.1	0	0	0	115.2	L437 A438 W441 L596 G765 V816	L437-P763 HydrophobicContact CD2-CB 4.47Å; L437-P763 HydrophobicContact CD2-CG 3.85Å; L437-P763 HydrophobicContact CG-CB 4.26Å; L437-P763 HydrophobicContact CG-CG 4Å; A438-P763 HydrophobicContact CB-CB 4.09Å; A438-P763 WeakPolarHBondContact CB-O 3.29Å; W441-P763 HydrophobicContact CB-CB 4.3Å; W441-P763 HydrophobicContact CD2-CB 4.29Å; W441-P763 HydrophobicContact CD2-CG 3.78Å; W441-P763 HydrophobicContact CE3-CB 4.43Å; W441-P763 HydrophobicContact CE3-CG 3.69Å; W441-P763 HydrophobicContact CG-CB 4.22Å; W441-P763 HydrophobicContact CG-CG 4.22Å; W441-P763 HydrophobicContact CH2-CG 4.49Å; W441-P763 HydrophobicContact CZ3-CG 4.07Å; L596-P763 HydrophobicContact CD1-CG 3.47Å; L596-P763 VanDerWaalsContact CD1-CG 3.47Å; P763-G765 VanDerWaalsContact C-N 3.27Å; P763-V816 HydrophobicContact CG-CG1 4.42Å
764	N	93.3	Very high	96	Very high	66 Å²	66	20.5 Å²	20.5	35%	0.353	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.2	174.2	64.3	7.8	0	0	0	113.3	N442 E762 K766	N442-N764 PolarHBondContact OD1-ND2 2.89Å; E762-N764 WeakPolarHBondContact CB-OD1 3.35Å; E762-N764 PolarHBondContact O-N 3.32Å; E762-N764 PolarHBondContact OE2-ND2 2.95Å; E762-N764 PolarHBondContact OE2-OD1 3.38Å; N764-K766 WeakPolarHBondContact OD1-CB 3.29Å; N764-K766 PolarHBondContact OD1-N 2.99Å
765	G	93.6	Very high	96	Very high	18 Å²	18	20.3 Å²	20.3	19%	0.186	11%	0.11	C	C	.	.	S	Bend	trans	84.5	7.7	-178	0	0	0	0	0	115.4	E762 P763 R811	E762-G765 WeakPolarHBondContact O-CA 3.43Å; E762-G765 PolarHBondContact O-N 3.47Å; P763-G765 VanDerWaalsContact C-N 3.27Å; G765-R811 WeakPolarHBondContact O-CD 3.36Å; G765-R811 PolarHBondContact O-NH1 3.47Å
766	K	96.1	Very high	95.8	Very high	115 Å²	115	20.7 Å²	20.7	50%	0.5	11%	0.112	S	C	.	.			trans	-71.8	131.6	172.2	-174.3	-177.2	177.6	-172.8	0	109.8	I761 E762 N764	I761-K766 WeakPolarHBondContact CA-O 3.4Å; E762-K766 HydrophobicContact CB-CB 4.25Å; E762-K766 HydrophobicContact CG-CB 4.49Å; E762-K766 PolarHBondContact N-O 3.17Å; N764-K766 WeakPolarHBondContact OD1-CB 3.29Å; N764-K766 PolarHBondContact OD1-N 2.99Å
767	I	97.4	Very high	95.4	Very high	28 Å²	28	21.5 Å²	21.5	14%	0.144	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.1	177.8	-58.7	157.1	0	0	0	108.2	M759 L760 I761 L804 K808	M759-I767 HydrophobicContact CE-CG2 3.51Å; L760-I767 WeakPolarHBondContact O-CA 3.26Å; I761-I767 HydrophobicContact CG1-CG1 3.95Å; I767-L804 HydrophobicContact CB-CD2 4.46Å; I767-L804 HydrophobicContact CG2-CD2 3.9Å; I767-K808 HydrophobicContact CD1-CG 3.95Å
768	S	95.9	Very high	94.3	Very high	28 Å²	28	22 Å²	22	20%	0.196	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.4	174.6	54.1	0	0	0	0	111.5	M759 L760	M759-S768 WeakPolarHBondContact CA-O 3.29Å; L760-S768 PolarHBondContact N-O 2.86Å; L760-S768 PolarHBondContact O-N 2.85Å; L760-S768 PolarHBondContact O-OG 3.03Å
769	V	96.6	Very high	93.1	Very high	32 Å²	32	24.7 Å²	24.7	19%	0.194	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.3	164.9	-168.6	0	0	0	0	107.8	V757 M759 T772 T800 C865	V757-V769 HydrophobicContact CG1-CG1 3.7Å; M759-V769 HydrophobicContact CE-CG2 4.24Å; M759-V769 HydrophobicContact SD-CB 4.04Å; M759-V769 HydrophobicContact SD-CG1 4.13Å; M759-V769 HydrophobicContact SD-CG2 3.68Å; V769-T772 HydrophobicContact CG1-CG2 3.97Å; V769-T800 HydrophobicContact CG2-CG2 4.3Å; V769-C865 HydrophobicContact CB-CB 4.14Å; V769-C865 HydrophobicContact CG1-CB 3.74Å
770	L	95.6	Very high	92.1	Very high	41 Å²	41	25.6 Å²	25.6	22%	0.215	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-35.5	-176.5	-62.4	-176.1	0	0	0	113.4	D758 L760 Y818 L849	D758-L770 HydrophobicContact CB-CB 4.43Å; D758-L770 PolarHBondContact O-N 2.82Å; L760-L770 HydrophobicContact CB-CD1 3.68Å; L760-L770 HydrophobicContact CB-CD2 4.34Å; L760-L770 HydrophobicContact CB-CG 4.06Å; L760-L770 HydrophobicContact CD2-CD1 4.48Å; L770-Y818 HydrophobicContact CD1-CD1 3.75Å; L770-Y818 HydrophobicContact CD1-CE1 3.68Å; L770-L849 HydrophobicContact CB-CD1 3.8Å; L770-L849 HydrophobicContact CD1-CD1 3.99Å; L770-L849 HydrophobicContact CD1-CD2 3.87Å
771	S	96	Very high	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	147.4	-178.7	-177.4	0	0	0	0	110	V757 D758 Q848 T852	V757-S771 CarbonylContact C-O 3.56Å; V757-S771 WeakPolarHBondContact CA-O 3.42Å; D758-S771 PolarHBondContact N-O 2.8Å; D758-S771 PolarHBondContact O-N 3.46Å; D758-S771 WeakPolarHBondContact OD2-CB 3.27Å; S771-Q848 PolarHBondContact OG-NE2 2.8Å; S771-T852 PolarHBondContact OG-OG1 3.29Å
772	T	96.4	Very high	90.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.9	178.1	51.3	0	0	0	0	107.9	V757 V769 P790 Q791 L799 C865	V757-T772 HydrophobicContact CG1-CG2 4.07Å; V757-T772 HydrophobicContact CG2-CG2 4.18Å; V769-T772 HydrophobicContact CG1-CG2 3.97Å; T772-P790 CarbonylContact O-C 3.24Å; T772-P790 WeakPolarHBondContact O-CA 3.34Å; T772-Q791 PolarHBondContact O-N 2.86Å; T772-Q791 VanDerWaalsContact O-N 3.09Å; T772-L799 HydrophobicContact CG2-CD2 4.11Å; T772-C865 HydrophobicContact CG2-CB 4.05Å
773	G	95.7	Very high	89.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.9	179.6	0	0	0	0	0	115.6	L755 T756 T788	L755-G773 CarbonylContact C-O 3.58Å; L755-G773 VanDerWaalsContact CA-O 3.29Å; L755-G773 WeakPolarHBondContact CA-O 3.45Å; T756-G773 PolarHBondContact N-O 2.79Å; T756-G773 PolarHBondContact O-N 2.87Å; G773-T788 CarbonylContact C-O 3.55Å; G773-T788 WeakPolarHBondContact CA-O 3.21Å
774	D	95.3	Very high	89	Confident	13 Å²	13	31.1 Å²	31.1	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.5	175	-56	-48.7	0	0	0	109.5	T753 T787 T788 Q791 T792 S793	T753-D774 HydrophobicContact CG2-CB 4.07Å; D774-T787 CarbonylContact O-C 3.53Å; D774-T787 WeakPolarHBondContact O-CA 3.49Å; D774-T788 WeakPolarHBondContact CB-OG1 3.23Å; D774-T788 PolarHBondContact N-O 2.87Å; D774-T788 VanDerWaalsContact N-O 3.07Å; D774-T788 PolarHBondContact O-N 3.17Å; D774-Q791 WeakPolarHBondContact OD1-CB 3.31Å; D774-T792 PolarHBondContact OD2-N 2.86Å; D774-T792 PolarHBondContact OD2-OG1 3.09Å; D774-S793 VanDerWaalsContact OD1-CB 3.3Å; D774-S793 WeakPolarHBondContact OD1-CB 3.17Å; D774-S793 PolarHBondContact OD1-OG 3.13Å
775	Q	93.8	Very high	88.6	Confident	21 Å²	21	28.6 Å²	28.6	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.1	-176.8	-64.6	-179.3	6.4	0	0	112	N754 T756 H777 G786 T787	N754-Q775 HydrophobicContact CB-CB 4.08Å; N754-Q775 HydrophobicContact CB-CG 4.26Å; N754-Q775 WeakPolarHBondContact O-CB 3.25Å; N754-Q775 PolarHBondContact O-N 3.04Å; T756-Q775 VanDerWaalsContact OG1-CG 3.29Å; T756-Q775 WeakPolarHBondContact OG1-CG 3.43Å; T756-Q775 PolarHBondContact OG1-NE2 2.97Å; Q775-H777 VanDerWaalsContact CB-CE1 3.48Å; Q775-H777 WeakPolarHBondContact CB-CE1 3.44Å; Q775-H777 PolarHBondContact O-CE1 3.27Å; Q775-H777 VanDerWaalsContact O-CE1 3.29Å; Q775-H777 PolarHBondContact O-ND1 2.85Å; Q775-H777 PolarHBondContact OE1-NE2 2.71Å; Q775-G786 CarbonylContact C-O 3.58Å; Q775-G786 WeakPolarHBondContact CA-O 3.4Å; Q775-T787 HydrophobicContact CG-CG2 4.29Å
776	L	90.8	Very high	88.5	Confident	8 Å²	8	28 Å²	28	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.3	168.9	-55.9	177.6	0	0	0	109.9	S784 S785 G786 T788 V901 L964 I999	L776-S784 CarbonylContact O-C 3.49Å; L776-S784 WeakPolarHBondContact O-CA 3.39Å; L776-S785 PolarHBondContact O-N 2.81Å; L776-S785 PolarHBondContact O-OG 2.93Å; L776-G786 PolarHBondContact N-O 3.02Å; L776-T788 HydrophobicContact CD2-CG2 4.22Å; L776-V901 HydrophobicContact CD1-CG1 3.83Å; L776-L964 HydrophobicContact CD2-CD2 4.47Å; L776-I999 HydrophobicContact CD2-CD1 3.37Å
777	H	86.1	Confident	88.5	Confident	28 Å²	28	23 Å²	23	13%	0.13	14%	0.135	C	C	.	.			trans	-130.6	57.3	-168.3	-64.2	91.9	0	0	0	112.2	N754 Q775 S780 P781 D995	N754-H777 PolarHBondContact ND2-CE1 2.9Å; N754-H777 VanDerWaalsContact ND2-CE1 3.3Å; N754-H777 PolarHBondContact ND2-NE2 3.46Å; Q775-H777 VanDerWaalsContact CB-CE1 3.48Å; Q775-H777 WeakPolarHBondContact CB-CE1 3.44Å; Q775-H777 PolarHBondContact O-CE1 3.27Å; Q775-H777 VanDerWaalsContact O-CE1 3.29Å; Q775-H777 PolarHBondContact O-ND1 2.85Å; Q775-H777 PolarHBondContact OE1-NE2 2.71Å; H777-S780 WeakPolarHBondContact CB-O 3.5Å; H777-P781 PolarHBondContact CD2-O 2.8Å; H777-D995 PolarHBondContact N-OD2 2.96Å
778	A	75.5	Confident	88.4	Confident	12 Å²	12	21.9 Å²	21.9	10%	0.099	13%	0.13	C	C	.	.	S	Bend	trans	-52.2	-62.5	-176.2	0	0	0	0	0	114	S785 T991 S992	A778-S785 VanDerWaalsContact CB-OG 3.28Å; A778-S785 WeakPolarHBondContact CB-OG 3.37Å; A778-S785 PolarHBondContact N-OG 3.49Å; A778-S785 VanDerWaalsContact N-OG 3.11Å; A778-T991 WeakPolarHBondContact O-CB 3.41Å; A778-S992 VanDerWaalsContact CB-CA 3.46Å; A778-S992 WeakPolarHBondContact CB-OG 3.49Å
779	D	71.4	Confident	88.4	Confident	57 Å²	57	20.7 Å²	20.7	31%	0.305	12%	0.121	S	C	.	.	S	Bend	trans	-81.5	-25.3	-169.1	-76.3	-14.7	0	0	0	113.3	R907 N988 T991	D779-R907 IonicContact OD1-NH2 2.61Å; D779-R907 IonicContact OD2-CZ 2.7Å; D779-R907 VanDerWaalsContact OD2-CZ 3.25Å; D779-R907 IonicContact OD2-NH1 3.58Å; D779-R907 PolarHBondContact OD2-NH1 3.4Å; D779-R907 VanDerWaalsContact OD2-NH1 3.09Å; D779-R907 IonicContact OD2-NH2 3.66Å; D779-R907 PolarHBondContact OD2-NH2 2.62Å; D779-N988 VanDerWaalsContact OD1-CB 3.22Å; D779-N988 WeakPolarHBondContact OD1-CB 3.49Å; D779-T991 PolarHBondContact OD1-OG1 3.32Å
780	S	76.9	Confident	88.3	Confident	20 Å²	20	19.1 Å²	19.1	14%	0.14	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-166.8	146.5	-177.2	173.1	0	0	0	0	109.7	V721 H777 F782 I783	V721-S780 WeakPolarHBondContact CG1-OG 3.24Å; H777-S780 WeakPolarHBondContact CB-O 3.5Å; S780-F782 PolarHBondContact O-N 2.87Å; S780-F782 PolarHBondContact OG-N 2.94Å; S780-I783 PolarHBondContact O-N 2.83Å
781	P	74.3	Confident	88.2	Confident	70 Å²	70	17.3 Å²	17.3	46%	0.455	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.6	174.8	24.8	-36	0	0	0	114.3	H777	H777-P781 PolarHBondContact CD2-O 2.8Å
782	F	82.6	Confident	88	Confident	28 Å²	28	20.8 Å²	20.8	12%	0.123	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	2.3	-179	-50.8	-66.7	0	0	0	113.9	L654 G663 T666 F668 V721 F746 S780	L654-F782 HydrophobicContact CD1-CD1 4.33Å; L654-F782 HydrophobicContact CD1-CE1 3.98Å; L654-F782 HydrophobicContact CD2-CD1 4.24Å; L654-F782 HydrophobicContact CD2-CE1 3.44Å; L654-F782 VanDerWaalsContact CD2-CE1 3.44Å; L654-F782 HydrophobicContact CD2-CE2 4.44Å; L654-F782 HydrophobicContact CD2-CZ 3.56Å; L654-F782 HydrophobicContact CG-CE1 4.36Å; G663-F782 WeakPolarHBondContact CA-O 3.24Å; T666-F782 HydrophobicContact CG2-CB 4.21Å; T666-F782 HydrophobicContact CG2-CG 4.21Å; F668-F782 HydrophobicContact CB-CE2 4.39Å; F668-F782 HydrophobicContact CB-CZ 4.41Å; F668-F782 HydrophobicContact CD1-CD2 4.32Å; F668-F782 AromaticContact CD1-CE2 3.6Å; F668-F782 HydrophobicContact CD1-CE2 3.6Å; F668-F782 HydrophobicContact CD1-CZ 4.38Å; F668-F782 HydrophobicContact CE1-CE2 4.12Å; F668-F782 HydrophobicContact CG-CE2 4.08Å; F668-F782 HydrophobicContact CG-CZ 4.43Å; V721-F782 HydrophobicContact CG1-CB 4.46Å; V721-F782 HydrophobicContact CG1-CD2 4.47Å; V721-F782 HydrophobicContact CG2-CB 4.3Å; V721-F782 HydrophobicContact CG2-CD2 3.48Å; V721-F782 VanDerWaalsContact CG2-CD2 3.48Å; V721-F782 HydrophobicContact CG2-CE2 4.2Å; V721-F782 HydrophobicContact CG2-CG 4.22Å; F746-F782 AromaticContact CD2-CE1 3.81Å; F746-F782 HydrophobicContact CD2-CE1 3.81Å; F746-F782 HydrophobicContact CD2-CZ 4.26Å; F746-F782 AromaticContact CE2-CE1 3.65Å; F746-F782 HydrophobicContact CE2-CE1 3.65Å; F746-F782 HydrophobicContact CE2-CZ 4.11Å; S780-F782 PolarHBondContact O-N 2.87Å; S780-F782 PolarHBondContact OG-N 2.94Å
783	I	81.5	Confident	87.7	Confident	32 Å²	32	22 Å²	22	16%	0.164	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-119.9	107.5	-179.7	-59.7	176.4	0	0	0	108.6	V721 S780 S785	V721-I783 HydrophobicContact CG1-CD1 3.9Å; V721-I783 HydrophobicContact CG1-CG1 4.1Å; S780-I783 PolarHBondContact O-N 2.83Å; I783-S785 PolarHBondContact O-N 3.3Å
784	S	84.1	Confident	87.6	Confident	36 Å²	36	22.3 Å²	22.3	25%	0.252	13%	0.134	S	C	.	.			trans	-66	121.8	172.3	178.8	0	0	0	0	110.6	L776 G786	L776-S784 CarbonylContact O-C 3.49Å; L776-S784 WeakPolarHBondContact O-CA 3.39Å; S784-G786 PolarHBondContact OG-O 2.88Å
785	S	85.4	Confident	87.5	Confident	12 Å²	12	25.2 Å²	25.2	8%	0.084	15%	0.149	C	C	.	.			trans	-101.3	-20.3	177.2	62.7	0	0	0	0	113	L776 A778 I783 T903	L776-S785 PolarHBondContact O-N 2.81Å; L776-S785 PolarHBondContact O-OG 2.93Å; A778-S785 VanDerWaalsContact CB-OG 3.28Å; A778-S785 WeakPolarHBondContact CB-OG 3.37Å; A778-S785 PolarHBondContact N-OG 3.49Å; A778-S785 VanDerWaalsContact N-OG 3.11Å; I783-S785 PolarHBondContact O-N 3.3Å; S785-T903 WeakPolarHBondContact O-CB 3.35Å; S785-T903 PolarHBondContact O-OG1 3.32Å
786	G	91.7	Very high	87.5	Confident	7 Å²	7	25.3 Å²	25.3	7%	0.072	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	-177.3	-177.6	0	0	0	0	0	110.9	Q775 L776 S784 M902	Q775-G786 CarbonylContact C-O 3.58Å; Q775-G786 WeakPolarHBondContact CA-O 3.4Å; L776-G786 PolarHBondContact N-O 3.02Å; S784-G786 PolarHBondContact OG-O 2.88Å; G786-M902 CarbonylContact C-O 3.57Å; G786-M902 VanDerWaalsContact CA-O 3.24Å; G786-M902 WeakPolarHBondContact CA-O 3.38Å
787	T	95.2	Very high	87.6	Confident	9 Å²	9	31.7 Å²	31.7	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.7	-177.4	54.6	0	0	0	0	111.5	D774 Q775 Q848 M902	D774-T787 CarbonylContact O-C 3.53Å; D774-T787 WeakPolarHBondContact O-CA 3.49Å; Q775-T787 HydrophobicContact CG-CG2 4.29Å; T787-Q848 HydrophobicContact CG2-CB 4.5Å; T787-Q848 HydrophobicContact CG2-CG 4.32Å; T787-M902 PolarHBondContact N-O 3.01Å; T787-M902 WeakPolarHBondContact O-CG 3.29Å; T787-M902 PolarHBondContact O-N 2.94Å; T787-M902 VanDerWaalsContact OG1-CG 3.26Å; T787-M902 WeakPolarHBondContact OG1-CG 3.4Å
788	T	95.6	Very high	88	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.3	163.1	67.4	0	0	0	0	108.9	G773 D774 L776 A900 V901 L960 L964	G773-T788 CarbonylContact C-O 3.55Å; G773-T788 WeakPolarHBondContact CA-O 3.21Å; D774-T788 WeakPolarHBondContact CB-OG1 3.23Å; D774-T788 PolarHBondContact N-O 2.87Å; D774-T788 VanDerWaalsContact N-O 3.07Å; D774-T788 PolarHBondContact O-N 3.17Å; L776-T788 HydrophobicContact CD2-CG2 4.22Å; T788-A900 CarbonylContact C-O 3.51Å; T788-A900 VanDerWaalsContact CA-O 3.25Å; T788-A900 WeakPolarHBondContact CA-O 3.35Å; T788-V901 HydrophobicContact CG2-CG2 4.09Å; T788-L960 HydrophobicContact CG2-CD1 4.16Å; T788-L964 HydrophobicContact CG2-CD2 4.14Å
789	V	95.1	Very high	88.9	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.1	178	176.9	0	0	0	0	109	Q848 T852 L863 A900 M902	V789-Q848 HydrophobicContact CG2-CG 4.27Å; V789-T852 HydrophobicContact CG1-CG2 4.47Å; V789-L863 HydrophobicContact CG1-CD1 4.37Å; V789-L863 HydrophobicContact CG1-CD2 4.11Å; V789-A900 PolarHBondContact N-O 2.91Å; V789-A900 PolarHBondContact O-N 2.78Å; V789-M902 HydrophobicContact CB-CE 3.6Å; V789-M902 HydrophobicContact CG1-CE 4.42Å; V789-M902 HydrophobicContact CG2-CE 3.51Å; V789-M902 HydrophobicContact CG2-SD 3.87Å
790	P	94.6	Very high	90	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	S	Bend	cis	-70.2	169.7	-6.7	31.4	-35.3	0	0	0	112.7	T772 L863 S868 L870 Y899	T772-P790 CarbonylContact O-C 3.24Å; T772-P790 WeakPolarHBondContact O-CA 3.34Å; P790-L863 HydrophobicContact CB-CD1 3.93Å; P790-S868 WeakPolarHBondContact CB-O 3.11Å; P790-S868 WeakPolarHBondContact CB-OG 3.32Å; P790-S868 WeakPolarHBondContact CG-O 3.37Å; P790-L870 HydrophobicContact CG-CB 4.48Å; P790-Y899 HydrophobicContact CG-CD1 4.36Å; P790-Y899 HydrophobicContact CG-CE1 4.35Å
791	Q	93.6	Very high	90.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.205	C	C	.	.			trans	-71.1	148.7	175.6	71.5	80.9	26.6	0	0	111	L755 T772 D774 V794 L799 S868	L755-Q791 HydrophobicContact CD2-CB 4.07Å; L755-Q791 HydrophobicContact CD2-CG 4.15Å; T772-Q791 PolarHBondContact O-N 2.86Å; T772-Q791 VanDerWaalsContact O-N 3.09Å; D774-Q791 WeakPolarHBondContact OD1-CB 3.31Å; Q791-V794 PolarHBondContact NE2-O 3.24Å; Q791-V794 PolarHBondContact OE1-O 2.85Å; Q791-L799 HydrophobicContact CG-CD2 3.67Å; Q791-S868 PolarHBondContact NE2-OG 3.44Å; Q791-S868 PolarHBondContact O-OG 2.94Å
792	T	91.6	Very high	91.9	Very high	74 Å²	74	35.7 Å²	35.7	45%	0.454	19%	0.191	S	C	.	.			trans	-128.4	0.1	179.3	56.2	0	0	0	0	113.2	D774 Y899 L960	D774-T792 PolarHBondContact OD2-N 2.86Å; D774-T792 PolarHBondContact OD2-OG1 3.09Å; T792-Y899 HydrophobicContact CG2-CD1 4.42Å; T792-Y899 HydrophobicContact CG2-CE1 3.81Å; T792-L960 HydrophobicContact CG2-CD2 3.94Å; T792-L960 WeakPolarHBondContact OG1-CD2 3.44Å
793	S	91.7	Very high	92.5	Very high	26 Å²	26	34.4 Å²	34.4	18%	0.182	19%	0.185	C	C	.	.	S	Bend	trans	-88.2	-22.2	-171.6	66	0	0	0	0	114.3	L755 D774 Q834	L755-S793 WeakPolarHBondContact CD2-OG 3.5Å; D774-S793 VanDerWaalsContact OD1-CB 3.3Å; D774-S793 WeakPolarHBondContact OD1-CB 3.17Å; D774-S793 PolarHBondContact OD1-OG 3.13Å; S793-Q834 PolarHBondContact O-NE2 2.87Å
794	V	93.7	Very high	93.2	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-129.5	148.9	-177	-178.7	0	0	0	0	110.7	L755 Q791 P796 L799 T825 V836	L755-V794 HydrophobicContact CD1-CG2 3.99Å; L755-V794 HydrophobicContact CD2-CB 4.33Å; L755-V794 HydrophobicContact CD2-CG2 3.89Å; Q791-V794 PolarHBondContact NE2-O 3.24Å; Q791-V794 PolarHBondContact OE1-O 2.85Å; V794-P796 WeakPolarHBondContact O-CD 3.26Å; V794-L799 HydrophobicContact CG1-CB 4.13Å; V794-T825 HydrophobicContact CG2-CG2 3.71Å; V794-V836 HydrophobicContact CG1-CG2 3.86Å; V794-V836 HydrophobicContact CG2-CG2 4.03Å
795	D	93.4	Very high	93.9	Very high	73 Å²	73	36.1 Å²	36.1	39%	0.39	19%	0.19	S	C	.	.			trans	-55.1	123.4	169.7	175.3	53.8	0	0	0	111.4	Q797 V798 L799	D795-Q797 PolarHBondContact O-N 3.11Å; D795-Q797 WeakPolarHBondContact OD2-CB 3.35Å; D795-Q797 PolarHBondContact OD2-N 3.42Å; D795-V798 HydrophobicContact CB-CB 4.3Å; D795-V798 HydrophobicContact CB-CG2 4.19Å; D795-V798 PolarHBondContact O-N 3.38Å; D795-V798 WeakPolarHBondContact OD2-CG2 3.34Å; D795-V798 PolarHBondContact OD2-N 2.69Å; D795-V798 VanDerWaalsContact OD2-N 3.14Å; D795-L799 PolarHBondContact O-N 2.95Å
796	P	93.6	Very high	94.5	Very high	24 Å²	24	35.6 Å²	35.6	16%	0.156	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-30	-173.9	-26.5	37.1	0	0	0	114	V794 T800 S866 S868	V794-P796 WeakPolarHBondContact O-CD 3.26Å; P796-T800 VanDerWaalsContact O-CB 3.24Å; P796-T800 WeakPolarHBondContact O-CB 3.28Å; P796-T800 PolarHBondContact O-N 2.56Å; P796-T800 PolarHBondContact O-OG1 2.92Å; P796-S866 VanDerWaalsContact CB-O 3.29Å; P796-S866 WeakPolarHBondContact CB-O 3.47Å; P796-S868 VanDerWaalsContact CG-CB 3.43Å
797	Q	92.7	Very high	94.7	Very high	142 Å²	142	35.2 Å²	35.2	66%	0.664	18%	0.183	S	C	*	.	H	α-helix	trans	-72.4	-45.9	179.3	-58.1	-171	-1.8	0	0	111.2	D795 L799 T800 Y801	D795-Q797 PolarHBondContact O-N 3.11Å; D795-Q797 WeakPolarHBondContact OD2-CB 3.35Å; D795-Q797 PolarHBondContact OD2-N 3.42Å; Q797-L799 VanDerWaalsContact C-N 3.35Å; Q797-L799 PolarHBondContact O-N 3.39Å; Q797-T800 PolarHBondContact O-N 2.87Å; Q797-Y801 WeakPolarHBondContact O-CB 3.11Å; Q797-Y801 PolarHBondContact O-N 3.38Å
798	V	93.5	Very high	94.8	Very high	71 Å²	71	38.8 Å²	38.8	43%	0.43	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-47.7	173.6	173.7	0	0	0	0	110.6	D795 Y801 L802	D795-V798 HydrophobicContact CB-CB 4.3Å; D795-V798 HydrophobicContact CB-CG2 4.19Å; D795-V798 PolarHBondContact O-N 3.38Å; D795-V798 WeakPolarHBondContact OD2-CG2 3.34Å; D795-V798 PolarHBondContact OD2-N 2.69Å; D795-V798 VanDerWaalsContact OD2-N 3.14Å; V798-Y801 PolarHBondContact O-N 3.13Å; V798-L802 HydrophobicContact CG1-CD1 4.08Å; V798-L802 WeakPolarHBondContact O-CG 3.39Å; V798-L802 PolarHBondContact O-N 3.04Å
799	L	95.3	Very high	94.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-49.7	179.6	-177	62.4	0	0	0	111.7	L755 V757 T772 Q791 V794 D795 Q797 Y801 L802 C803 L823	L755-L799 HydrophobicContact CD2-CD2 4.2Å; V757-L799 HydrophobicContact CG2-CD1 3.95Å; V757-L799 HydrophobicContact CG2-CD2 4.05Å; V757-L799 HydrophobicContact CG2-CG 4.17Å; T772-L799 HydrophobicContact CG2-CD2 4.11Å; Q791-L799 HydrophobicContact CG-CD2 3.67Å; V794-L799 HydrophobicContact CG1-CB 4.13Å; D795-L799 PolarHBondContact O-N 2.95Å; Q797-L799 VanDerWaalsContact C-N 3.35Å; Q797-L799 PolarHBondContact O-N 3.39Å; L799-Y801 VanDerWaalsContact C-N 3.32Å; L799-Y801 PolarHBondContact O-N 3.36Å; L799-L802 PolarHBondContact O-N 2.84Å; L799-C803 WeakPolarHBondContact O-CB 3.39Å; L799-C803 PolarHBondContact O-N 3.32Å; L799-C803 PolarHBondContact O-SG 3.39Å; L799-C803 VanDerWaalsContact O-SG 3.33Å; L799-L823 HydrophobicContact CD1-CD1 3.42Å; L799-L823 VanDerWaalsContact CD1-CD1 3.42Å
800	T	94.3	Very high	95	Very high	27 Å²	27	38.5 Å²	38.5	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-42.8	179.1	-62.2	0	0	0	0	111.1	V769 P796 Q797 C803 L804	V769-T800 HydrophobicContact CG2-CG2 4.3Å; P796-T800 VanDerWaalsContact O-CB 3.24Å; P796-T800 WeakPolarHBondContact O-CB 3.28Å; P796-T800 PolarHBondContact O-N 2.56Å; P796-T800 PolarHBondContact O-OG1 2.92Å; Q797-T800 PolarHBondContact O-N 2.87Å; T800-C803 PolarHBondContact O-N 3.18Å; T800-L804 HydrophobicContact CG2-CD1 3.85Å; T800-L804 HydrophobicContact CG2-CG 4.25Å; T800-L804 WeakPolarHBondContact O-CB 3.18Å; T800-L804 WeakPolarHBondContact O-CG 3.36Å; T800-L804 PolarHBondContact O-N 2.99Å
801	Y	94.6	Very high	95.1	Very high	141 Å²	141	44.1 Å²	44.1	55%	0.553	22%	0.217	S	C	*	.	H	α-helix	trans	-58.7	-50.7	176.9	174.1	-99.3	0	0	0	111.8	Q797 V798 L799 L804 Q805	Q797-Y801 WeakPolarHBondContact O-CB 3.11Å; Q797-Y801 PolarHBondContact O-N 3.38Å; V798-Y801 PolarHBondContact O-N 3.13Å; L799-Y801 VanDerWaalsContact C-N 3.32Å; L799-Y801 PolarHBondContact O-N 3.36Å; Y801-L804 PolarHBondContact O-N 3.48Å; Y801-Q805 HydrophobicContact CE1-CG 4.21Å; Y801-Q805 HydrophobicContact CE2-CG 4.36Å; Y801-Q805 VanDerWaalsContact CE2-NE2 3.33Å; Y801-Q805 WeakPolarHBondContact O-CG 3.32Å; Y801-Q805 PolarHBondContact O-N 2.96Å; Y801-Q805 VanDerWaalsContact O-N 3.09Å
802	L	95.9	Very high	95.2	Very high	29 Å²	29	50.5 Å²	50.5	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-49	178.9	-69.8	172.1	0	0	0	111.6	V621 V798 L799 L804 Q805 I806 V836	V621-L802 HydrophobicContact CB-CD2 4.38Å; V621-L802 HydrophobicContact CG1-CD2 4.01Å; V798-L802 HydrophobicContact CG1-CD1 4.08Å; V798-L802 WeakPolarHBondContact O-CG 3.39Å; V798-L802 PolarHBondContact O-N 3.04Å; L799-L802 PolarHBondContact O-N 2.84Å; L802-L804 VanDerWaalsContact C-N 3.31Å; L802-L804 PolarHBondContact O-N 3.44Å; L802-Q805 PolarHBondContact O-N 2.91Å; L802-Q805 VanDerWaalsContact O-N 3.15Å; L802-I806 WeakPolarHBondContact O-CG1 3.22Å; L802-I806 PolarHBondContact O-N 3.47Å; L802-I806 VanDerWaalsContact O-N 3.07Å; L802-V836 HydrophobicContact CD1-CB 4.08Å; L802-V836 HydrophobicContact CD1-CG1 4.08Å
803	C	96.4	Very high	95.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-35.6	179.7	-68.1	0	0	0	0	112.5	V757 M759 L799 T800 I806 G807 I821	V757-C803 HydrophobicContact CG1-CB 4.31Å; M759-C803 HydrophobicContact CE-CB 4.28Å; M759-C803 WeakPolarHBondContact CE-O 3.32Å; M759-C803 HydrophobicContact SD-CB 3.99Å; L799-C803 WeakPolarHBondContact O-CB 3.39Å; L799-C803 PolarHBondContact O-N 3.32Å; L799-C803 PolarHBondContact O-SG 3.39Å; L799-C803 VanDerWaalsContact O-SG 3.33Å; T800-C803 PolarHBondContact O-N 3.18Å; C803-I806 PolarHBondContact O-N 3.36Å; C803-G807 PolarHBondContact O-N 3.02Å; C803-I821 HydrophobicContact CB-CD1 4.11Å
804	L	96.4	Very high	95.4	Very high	59 Å²	59	54.6 Å²	54.6	31%	0.309	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-35.6	174.6	-73.4	174.6	0	0	0	112.5	I767 T800 Y801 L802 G807 K808	I767-L804 HydrophobicContact CB-CD2 4.46Å; I767-L804 HydrophobicContact CG2-CD2 3.9Å; T800-L804 HydrophobicContact CG2-CD1 3.85Å; T800-L804 HydrophobicContact CG2-CG 4.25Å; T800-L804 WeakPolarHBondContact O-CB 3.18Å; T800-L804 WeakPolarHBondContact O-CG 3.36Å; T800-L804 PolarHBondContact O-N 2.99Å; Y801-L804 PolarHBondContact O-N 3.48Å; L802-L804 VanDerWaalsContact C-N 3.31Å; L802-L804 PolarHBondContact O-N 3.44Å; L804-G807 PolarHBondContact O-N 3.47Å; L804-K808 VanDerWaalsContact O-CG 3.3Å; L804-K808 WeakPolarHBondContact O-CG 3.43Å; L804-K808 PolarHBondContact O-N 3.15Å
805	Q	97.2	Very high	95.5	Very high	45 Å²	45	54.4 Å²	54.4	21%	0.21	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-44.3	173.9	-63	-55.8	-22.1	0	0	111.5	V621 Y801 L802 G807 K808 A809	V621-Q805 HydrophobicContact CG1-CB 4.36Å; Y801-Q805 HydrophobicContact CE1-CG 4.21Å; Y801-Q805 HydrophobicContact CE2-CG 4.36Å; Y801-Q805 VanDerWaalsContact CE2-NE2 3.33Å; Y801-Q805 WeakPolarHBondContact O-CG 3.32Å; Y801-Q805 PolarHBondContact O-N 2.96Å; Y801-Q805 VanDerWaalsContact O-N 3.09Å; L802-Q805 PolarHBondContact O-N 2.91Å; L802-Q805 VanDerWaalsContact O-N 3.15Å; Q805-G807 VanDerWaalsContact C-N 3.32Å; Q805-G807 PolarHBondContact O-N 3.32Å; Q805-K808 WeakPolarHBondContact O-CB 3.35Å; Q805-K808 PolarHBondContact O-N 3.34Å; Q805-A809 PolarHBondContact O-N 3.25Å
806	I	97.8	Very high	95.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-44.4	173.6	-62.7	167.9	0	0	0	110.2	V615 F616 A619 V621 L802 C803 K808 A809 C810 I821 A838	V615-I806 HydrophobicContact CG1-CG2 4.41Å; F616-I806 HydrophobicContact CD1-CD1 4.01Å; F616-I806 HydrophobicContact CD1-CG1 4.13Å; F616-I806 HydrophobicContact CD1-CG2 4.23Å; F616-I806 HydrophobicContact CE1-CD1 3.97Å; F616-I806 HydrophobicContact CE1-CG1 4.4Å; F616-I806 HydrophobicContact CE1-CG2 4.01Å; A619-I806 HydrophobicContact CB-CG1 4.1Å; V621-I806 HydrophobicContact CG1-CD1 4.32Å; V621-I806 HydrophobicContact CG1-CG1 3.9Å; V621-I806 HydrophobicContact CG2-CD1 4.14Å; V621-I806 HydrophobicContact CG2-CG1 4.06Å; L802-I806 WeakPolarHBondContact O-CG1 3.22Å; L802-I806 PolarHBondContact O-N 3.47Å; L802-I806 VanDerWaalsContact O-N 3.07Å; C803-I806 PolarHBondContact O-N 3.36Å; I806-K808 VanDerWaalsContact C-N 3.33Å; I806-K808 PolarHBondContact O-N 2.99Å; I806-A809 WeakPolarHBondContact O-CB 3.27Å; I806-A809 PolarHBondContact O-N 3.23Å; I806-A809 VanDerWaalsContact O-N 3.11Å; I806-C810 PolarHBondContact O-N 3.42Å; I806-C810 PolarHBondContact O-SG 3.09Å; I806-C810 VanDerWaalsContact O-SG 3.38Å; I806-I821 HydrophobicContact CB-CD1 3.93Å; I806-I821 HydrophobicContact CD1-CD1 4.08Å; I806-I821 HydrophobicContact CD1-CG2 3.91Å; I806-I821 HydrophobicContact CG2-CD1 3.72Å; I806-I821 HydrophobicContact CG2-CG1 4.22Å; I806-A838 HydrophobicContact CD1-CB 4.25Å
807	G	97.3	Very high	95.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-38.8	175.8	0	0	0	0	0	113.4	C803 L804 Q805 C810 R811	C803-G807 PolarHBondContact O-N 3.02Å; L804-G807 PolarHBondContact O-N 3.47Å; Q805-G807 VanDerWaalsContact C-N 3.32Å; Q805-G807 PolarHBondContact O-N 3.32Å; G807-C810 PolarHBondContact O-N 3.45Å; G807-R811 WeakPolarHBondContact O-CB 3.49Å; G807-R811 PolarHBondContact O-N 3.39Å
808	K	97.3	Very high	96	Very high	84 Å²	84	46.9 Å²	46.9	37%	0.365	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-43	172.9	-71.1	168.1	-169	170.3	0	111.3	I767 L804 Q805 I806 C810 R811 M812	I767-K808 HydrophobicContact CD1-CG 3.95Å; L804-K808 VanDerWaalsContact O-CG 3.3Å; L804-K808 WeakPolarHBondContact O-CG 3.43Å; L804-K808 PolarHBondContact O-N 3.15Å; Q805-K808 WeakPolarHBondContact O-CB 3.35Å; Q805-K808 PolarHBondContact O-N 3.34Å; I806-K808 VanDerWaalsContact C-N 3.33Å; I806-K808 PolarHBondContact O-N 2.99Å; K808-C810 VanDerWaalsContact C-N 3.35Å; K808-R811 PolarHBondContact O-N 2.98Å; K808-M812 WeakPolarHBondContact O-CG 3.3Å; K808-M812 PolarHBondContact O-N 3.3Å
809	A	97.3	Very high	96.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-38.2	176.8	0	0	0	0	0	112.9	V615 A619 Q805 I806 M812 R813	V615-A809 HydrophobicContact CG1-CB 3.99Å; A619-A809 HydrophobicContact CB-CB 3.77Å; Q805-A809 PolarHBondContact O-N 3.25Å; I806-A809 WeakPolarHBondContact O-CB 3.27Å; I806-A809 PolarHBondContact O-N 3.23Å; I806-A809 VanDerWaalsContact O-N 3.11Å; A809-M812 HydrophobicContact CB-CE 4.44Å; A809-R813 PolarHBondContact O-NH1 3.29Å
810	C	97.3	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-48.6	170.6	-72.3	0	0	0	0	111.2	I761 I806 G807 K808 M812 R813 V815	I761-C810 HydrophobicContact CD1-CB 3.74Å; I806-C810 PolarHBondContact O-N 3.42Å; I806-C810 PolarHBondContact O-SG 3.09Å; I806-C810 VanDerWaalsContact O-SG 3.38Å; G807-C810 PolarHBondContact O-N 3.45Å; K808-C810 VanDerWaalsContact C-N 3.35Å; C810-M812 VanDerWaalsContact C-N 3.33Å; C810-M812 PolarHBondContact O-N 3.29Å; C810-R813 CarbonylContact O-C 3.55Å; C810-R813 WeakPolarHBondContact O-CA 3.46Å; C810-R813 WeakPolarHBondContact O-CB 3.25Å; C810-R813 PolarHBondContact O-N 3.15Å; C810-V815 HydrophobicContact CB-CB 3.86Å; C810-V815 HydrophobicContact CB-CG1 4.15Å; C810-V815 HydrophobicContact CB-CG2 3.99Å; C810-V815 VanDerWaalsContact O-CB 3.3Å; C810-V815 WeakPolarHBondContact O-CB 3.44Å; C810-V815 VanDerWaalsContact O-CG2 3.29Å; C810-V815 WeakPolarHBondContact O-CG2 2.91Å; C810-V815 PolarHBondContact O-N 3.46Å
811	R	96.3	Very high	96.4	Very high	117 Å²	117	42.5 Å²	42.5	44%	0.442	20%	0.196	S	C	.	.	H	α-helix	trans	-61.2	-38.1	-180	-174.7	-179.2	67.5	178.4	2.7	112.9	I761 G765 G807 K808 R813 D814	I761-R811 HydrophobicContact CD1-CB 4.4Å; G765-R811 WeakPolarHBondContact O-CD 3.36Å; G765-R811 PolarHBondContact O-NH1 3.47Å; G807-R811 WeakPolarHBondContact O-CB 3.49Å; G807-R811 PolarHBondContact O-N 3.39Å; K808-R811 PolarHBondContact O-N 2.98Å; R811-R813 PolarHBondContact O-N 3.01Å; R811-R813 VanDerWaalsContact O-N 3.15Å; R811-D814 PolarHBondContact O-N 3.48Å; R811-D814 VanDerWaalsContact O-N 3.12Å
812	M	95.1	Very high	96.4	Very high	136 Å²	136	37.7 Å²	37.7	67%	0.67	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.4	175	-71.3	-170.6	-62.4	0	0	113.5	K808 A809 C810	K808-M812 WeakPolarHBondContact O-CG 3.3Å; K808-M812 PolarHBondContact O-N 3.3Å; A809-M812 HydrophobicContact CB-CE 4.44Å; C810-M812 VanDerWaalsContact C-N 3.33Å; C810-M812 PolarHBondContact O-N 3.29Å
813	R	94.8	Very high	96.4	Very high	54 Å²	54	36.4 Å²	36.4	20%	0.204	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	25.5	176.9	-65.9	168.3	168.1	82.9	-5.2	112	L602 Y606 R614 S618 A809 C810 R811 V815	L602-R813 WeakPolarHBondContact CD1-O 3.3Å; Y606-R813 HydrophobicContact CE2-CB 4.01Å; Y606-R813 HydrophobicContact CE2-CG 4.45Å; Y606-R813 VanDerWaalsContact CZ-CD 3.47Å; Y606-R813 WeakPolarHBondContact OH-CD 3.48Å; R614-R813 PolarHBondContact O-NH2 2.93Å; S618-R813 PolarHBondContact OG-NH1 3.24Å; S618-R813 PolarHBondContact OG-NH2 2.82Å; A809-R813 PolarHBondContact O-NH1 3.29Å; C810-R813 CarbonylContact O-C 3.55Å; C810-R813 WeakPolarHBondContact O-CA 3.46Å; C810-R813 WeakPolarHBondContact O-CB 3.25Å; C810-R813 PolarHBondContact O-N 3.15Å; R811-R813 PolarHBondContact O-N 3.01Å; R811-R813 VanDerWaalsContact O-N 3.15Å; R813-V815 PolarHBondContact O-N 3.07Å; R813-V815 VanDerWaalsContact O-N 3.09Å
814	D	94	Very high	96.4	Very high	132 Å²	132	36.6 Å²	36.6	71%	0.706	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	25.5	178.1	-57.5	-46.1	0	0	0	114.7	R811 V816	R811-D814 PolarHBondContact O-N 3.48Å; R811-D814 VanDerWaalsContact O-N 3.12Å; D814-V816 PolarHBondContact O-N 3.37Å
815	V	96.1	Very high	96.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	16%	0.161	C	C	.	.			trans	-71.9	128.8	171.6	178.4	0	0	0	0	109.4	S598 L602 Y606 I761 C810 R813 L843	S598-V815 WeakPolarHBondContact OG-CA 3.46Å; L602-V815 HydrophobicContact CD2-CG2 3.65Å; Y606-V815 HydrophobicContact CD2-CG2 4.48Å; I761-V815 HydrophobicContact CD1-CB 4.2Å; I761-V815 HydrophobicContact CD1-CG1 4.06Å; I761-V815 WeakPolarHBondContact CD1-O 3.21Å; I761-V815 WeakPolarHBondContact CG2-O 3.47Å; C810-V815 HydrophobicContact CB-CB 3.86Å; C810-V815 HydrophobicContact CB-CG1 4.15Å; C810-V815 HydrophobicContact CB-CG2 3.99Å; C810-V815 VanDerWaalsContact O-CB 3.3Å; C810-V815 WeakPolarHBondContact O-CB 3.44Å; C810-V815 VanDerWaalsContact O-CG2 3.29Å; C810-V815 WeakPolarHBondContact O-CG2 2.91Å; C810-V815 PolarHBondContact O-N 3.46Å; R813-V815 PolarHBondContact O-N 3.07Å; R813-V815 VanDerWaalsContact O-N 3.09Å; V815-L843 HydrophobicContact CG1-CD1 4.09Å; V815-L843 HydrophobicContact CG1-CD2 3.79Å; V815-L843 HydrophobicContact CG2-CD1 3.96Å
816	V	96.4	Very high	96.2	Very high	44 Å²	44	32.2 Å²	32.2	27%	0.267	15%	0.152	S	C	.	.			trans	-135.1	145.9	176.4	179.8	0	0	0	0	109.5	L596 G597 S598 P763 D814	L596-V816 HydrophobicContact CD1-CG1 4.38Å; G597-V816 CarbonylContact C-O 3.29Å; G597-V816 VanDerWaalsContact CA-O 3.25Å; G597-V816 WeakPolarHBondContact CA-O 3.29Å; S598-V816 PolarHBondContact N-O 2.98Å; S598-V816 PolarHBondContact OG-N 3.47Å; S598-V816 PolarHBondContact OG-O 3.08Å; P763-V816 HydrophobicContact CG-CG1 4.42Å; D814-V816 PolarHBondContact O-N 3.37Å
817	G	96.5	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98	-161.1	179.1	0	0	0	0	0	113.3	I761	I761-G817 PolarHBondContact N-O 3.5Å; I761-G817 PolarHBondContact O-N 2.96Å
818	Y	97.3	Very high	95.4	Very high	37 Å²	37	38.6 Å²	38.6	15%	0.145	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.8	-174.3	-59.2	-88.8	0	0	0	111.5	V576 L596 M759 L760 L770 A844 Y845 L849	V576-Y818 HydrophobicContact CG1-CD2 3.99Å; V576-Y818 HydrophobicContact CG1-CE2 3.63Å; V576-Y818 HydrophobicContact CG2-CE2 4.33Å; L596-Y818 HydrophobicContact CD2-CE2 3.8Å; M759-Y818 WeakPolarHBondContact O-CA 3.47Å; L760-Y818 HydrophobicContact CB-CD1 4.26Å; L760-Y818 HydrophobicContact CB-CE1 4.4Å; L760-Y818 HydrophobicContact CD1-CD1 4.03Å; L760-Y818 HydrophobicContact CD1-CD2 4.27Å; L760-Y818 HydrophobicContact CD1-CE1 4.02Å; L760-Y818 HydrophobicContact CD1-CE2 4.24Å; L760-Y818 HydrophobicContact CD1-CG 4.17Å; L760-Y818 HydrophobicContact CD2-CE1 4.13Å; L760-Y818 HydrophobicContact CG-CE1 4.42Å; L770-Y818 HydrophobicContact CD1-CD1 3.75Å; L770-Y818 HydrophobicContact CD1-CE1 3.68Å; Y818-A844 PolarHBondContact O-N 2.84Å; Y818-Y845 AromaticContact CD1-CD2 3.95Å; Y818-Y845 HydrophobicContact CD1-CD2 3.95Å; Y818-Y845 HydrophobicContact CD1-CE2 4.04Å; Y818-Y845 AromaticContact CD2-CD2 3.74Å; Y818-Y845 HydrophobicContact CD2-CD2 3.74Å; Y818-Y845 HydrophobicContact CD2-CE2 4.28Å; Y818-Y845 HydrophobicContact CE1-CD2 4.25Å; Y818-Y845 AromaticContact CE1-CE2 3.93Å; Y818-Y845 HydrophobicContact CE1-CE2 3.93Å; Y818-Y845 HydrophobicContact CE2-CD2 4.06Å; Y818-Y845 HydrophobicContact CE2-CE2 4.19Å; Y818-Y845 AromaticContact CG-CD2 3.68Å; Y818-Y845 HydrophobicContact CG-CD2 3.68Å; Y818-Y845 HydrophobicContact CG-CE2 4.21Å; Y818-L849 HydrophobicContact CD1-CD2 3.56Å; Y818-L849 HydrophobicContact CE1-CD2 3.97Å; Y818-L849 HydrophobicContact CG-CD2 4.45Å
819	F	97.2	Very high	94.9	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.4	171.6	64.6	-78.1	0	0	0	110.9	M759 I761 I821 L841 N842 L843	M759-F819 HydrophobicContact CB-CD1 3.85Å; M759-F819 HydrophobicContact CB-CD2 3.93Å; M759-F819 HydrophobicContact CB-CE1 3.38Å; M759-F819 HydrophobicContact CB-CE2 3.52Å; M759-F819 HydrophobicContact CB-CG 4.1Å; M759-F819 HydrophobicContact CB-CZ 3.23Å; M759-F819 HydrophobicContact CE-CZ 4.26Å; M759-F819 HydrophobicContact CG-CD2 4.34Å; M759-F819 HydrophobicContact CG-CE1 4.43Å; M759-F819 HydrophobicContact CG-CE2 3.75Å; M759-F819 HydrophobicContact CG-CZ 3.8Å; M759-F819 PolarHBondContact N-O 2.85Å; M759-F819 PolarHBondContact O-N 2.87Å; I761-F819 HydrophobicContact CD1-CD1 4.33Å; I761-F819 HydrophobicContact CD1-CE1 3.54Å; I761-F819 HydrophobicContact CD1-CZ 4.04Å; I761-F819 HydrophobicContact CG1-CE1 3.75Å; I761-F819 HydrophobicContact CG1-CZ 4.41Å; F819-I821 HydrophobicContact CD2-CG1 4.15Å; F819-I821 HydrophobicContact CE2-CD1 4.03Å; F819-I821 HydrophobicContact CE2-CG1 4.02Å; F819-L841 HydrophobicContact CD2-CD1 3.67Å; F819-L841 HydrophobicContact CE2-CD1 4.25Å; F819-N842 CarbonylContact C-O 3.5Å; F819-N842 WeakPolarHBondContact CA-O 3.45Å; F819-N842 VanDerWaalsContact CB-O 3.31Å; F819-N842 WeakPolarHBondContact CB-O 3.05Å; F819-L843 HydrophobicContact CB-CD2 3.53Å; F819-L843 HydrophobicContact CD2-CD2 4.5Å; F819-L843 HydrophobicContact CG-CD2 4.09Å
820	S	96.8	Very high	94.3	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.3	174.9	68.2	0	0	0	0	111.2	V757 D758 N842	V757-S820 CarbonylContact O-C 3.53Å; V757-S820 VanDerWaalsContact O-CA 3.3Å; V757-S820 WeakPolarHBondContact O-CA 3.48Å; D758-S820 WeakPolarHBondContact OD1-CB 3.2Å; S820-N842 PolarHBondContact N-O 3.2Å; S820-N842 PolarHBondContact O-N 2.76Å
821	I	96.9	Very high	93.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.3	176.5	-52.4	168.5	0	0	0	107.8	F616 T756 V757 M759 C803 I806 F819 L823 G840 L841	F616-I821 HydrophobicContact CE1-CG2 4.36Å; T756-I821 WeakPolarHBondContact CA-O 3.18Å; V757-I821 PolarHBondContact N-O 3.3Å; V757-I821 PolarHBondContact O-N 2.84Å; M759-I821 HydrophobicContact CG-CD1 3.97Å; M759-I821 HydrophobicContact CG-CG1 4.43Å; C803-I821 HydrophobicContact CB-CD1 4.11Å; I806-I821 HydrophobicContact CB-CD1 3.93Å; I806-I821 HydrophobicContact CD1-CD1 4.08Å; I806-I821 HydrophobicContact CD1-CG2 3.91Å; I806-I821 HydrophobicContact CG2-CD1 3.72Å; I806-I821 HydrophobicContact CG2-CG1 4.22Å; F819-I821 HydrophobicContact CD2-CG1 4.15Å; F819-I821 HydrophobicContact CE2-CD1 4.03Å; F819-I821 HydrophobicContact CE2-CG1 4.02Å; I821-L823 HydrophobicContact CG2-CD1 4.39Å; I821-L823 HydrophobicContact CG2-CD2 4.36Å; I821-L823 HydrophobicContact CG2-CG 4.08Å; I821-G840 WeakPolarHBondContact CA-O 3.48Å; I821-L841 HydrophobicContact CG1-CD1 4.09Å
822	D	95.2	Very high	93.3	Very high	39 Å²	39	47.6 Å²	47.6	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.3	173.6	-58.2	-29.9	0	0	0	109.4	L755 T839 G840	L755-D822 WeakPolarHBondContact O-CA 3.48Å; D822-T839 PolarHBondContact O-N 2.96Å; D822-T839 PolarHBondContact O-OG1 3.37Å; D822-T839 VanDerWaalsContact O-OG1 3.1Å; D822-G840 PolarHBondContact N-O 3.33Å; D822-G840 PolarHBondContact O-N 2.83Å
823	L	95.9	Very high	93	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158.2	-178.8	-63.9	147.7	0	0	0	109.9	N754 L755 V757 L799 I821 V836 W837 A838	N754-L823 CarbonylContact C-O 3.56Å; N754-L823 VanDerWaalsContact CA-O 3.24Å; N754-L823 WeakPolarHBondContact CA-O 3.15Å; L755-L823 HydrophobicContact CB-CB 4.33Å; L755-L823 HydrophobicContact CD1-CB 4.39Å; L755-L823 PolarHBondContact N-O 2.94Å; L755-L823 PolarHBondContact O-N 3.34Å; V757-L823 HydrophobicContact CG2-CD1 3.97Å; L799-L823 HydrophobicContact CD1-CD1 3.42Å; L799-L823 VanDerWaalsContact CD1-CD1 3.42Å; I821-L823 HydrophobicContact CG2-CD1 4.39Å; I821-L823 HydrophobicContact CG2-CD2 4.36Å; I821-L823 HydrophobicContact CG2-CG 4.08Å; L823-V836 HydrophobicContact CB-CG1 4.23Å; L823-V836 HydrophobicContact CD2-CG1 3.98Å; L823-W837 CarbonylContact C-O 3.6Å; L823-W837 VanDerWaalsContact CA-O 3.26Å; L823-W837 WeakPolarHBondContact CA-O 3.48Å; L823-A838 HydrophobicContact CD2-CB 4Å
824	V	95.3	Very high	92.9	Very high	5 Å²	5	49 Å²	49	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.5	167.8	64.3	0	0	0	0	109.5	P747 I752 T753 N754 V836 W837 T839	P747-V824 HydrophobicContact CG-CG1 4.05Å; P747-V824 HydrophobicContact CG-CG2 3.98Å; I752-V824 HydrophobicContact CB-CG2 4.08Å; I752-V824 HydrophobicContact CD1-CG2 4.24Å; T753-V824 WeakPolarHBondContact O-CA 2.75Å; N754-V824 VanDerWaalsContact OD1-CG2 3.26Å; N754-V824 WeakPolarHBondContact OD1-CG2 3.32Å; V824-V836 CarbonylContact O-C 3.51Å; V824-V836 WeakPolarHBondContact O-CA 3.36Å; V824-W837 HydrophobicContact CG1-CB 3.79Å; V824-W837 HydrophobicContact CG1-CE3 4.39Å; V824-W837 PolarHBondContact N-O 3.38Å; V824-W837 PolarHBondContact O-N 3.12Å; V824-T839 HydrophobicContact CB-CG2 4.15Å; V824-T839 HydrophobicContact CG1-CG2 3.57Å
825	T	95	Very high	92.9	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143	173.9	-172	0	0	0	0	110.8	T753 L755 V794 Q834 Q835	T753-T825 PolarHBondContact N-O 3.49Å; T753-T825 PolarHBondContact O-N 2.86Å; L755-T825 HydrophobicContact CD1-CG2 3.77Å; V794-T825 HydrophobicContact CG2-CG2 3.71Å; T825-Q834 WeakPolarHBondContact OG1-CG 3.42Å; T825-Q834 PolarHBondContact OG1-NE2 2.68Å; T825-Q835 VanDerWaalsContact CA-O 3.28Å; T825-Q835 WeakPolarHBondContact CA-O 3.4Å; T825-Q835 PolarHBondContact OG1-O 2.89Å
826	F	93.5	Very high	92.9	Very high	6 Å²	6	46 Å²	46	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	163.1	177.2	65.8	-79.7	0	0	0	110.2	P747 P748 A749 I752 D828 Q835 W837	P747-F826 HydrophobicContact CB-CB 4.29Å; P747-F826 HydrophobicContact CB-CD1 3.57Å; P747-F826 HydrophobicContact CB-CD2 4.06Å; P747-F826 HydrophobicContact CB-CE1 3.82Å; P747-F826 HydrophobicContact CB-CE2 4.29Å; P747-F826 HydrophobicContact CB-CG 3.7Å; P747-F826 HydrophobicContact CB-CZ 4.18Å; P747-F826 HydrophobicContact CG-CD1 3.95Å; P747-F826 HydrophobicContact CG-CE1 4.18Å; P748-F826 HydrophobicContact CG-CE2 4.13Å; A749-F826 HydrophobicContact CB-CB 3.9Å; A749-F826 HydrophobicContact CB-CD2 3.86Å; A749-F826 HydrophobicContact CB-CG 4.27Å; I752-F826 HydrophobicContact CG2-CB 4.06Å; F826-D828 HydrophobicContact CE2-CB 4.07Å; F826-Q835 HydrophobicContact CD1-CB 4.39Å; F826-Q835 HydrophobicContact CE1-CB 3.85Å; F826-Q835 HydrophobicContact CE2-CB 4.19Å; F826-Q835 HydrophobicContact CZ-CB 3.73Å; F826-Q835 HydrophobicContact CZ-CG 4.34Å; F826-Q835 PolarHBondContact N-O 3.05Å; F826-Q835 VanDerWaalsContact N-O 3.12Å; F826-Q835 PolarHBondContact O-N 2.88Å; F826-W837 AromaticContact CE1-CD2 3.6Å; F826-W837 HydrophobicContact CE1-CD2 3.6Å; F826-W837 AromaticContact CE1-CE2 3.6Å; F826-W837 AromaticContact CE1-CE3 3.77Å; F826-W837 HydrophobicContact CE1-CE3 3.77Å; F826-W837 HydrophobicContact CE1-CG 4.16Å; F826-W837 HydrophobicContact CE1-CH2 4.03Å; F826-W837 AromaticContact CE1-CZ2 3.85Å; F826-W837 HydrophobicContact CE1-CZ2 3.85Å; F826-W837 AromaticContact CE1-CZ3 3.99Å; F826-W837 HydrophobicContact CE1-CZ3 3.99Å; F826-W837 HydrophobicContact CZ-CD2 4.07Å; F826-W837 AromaticContact CZ-CE2 3.6Å; F826-W837 HydrophobicContact CZ-CE3 4.27Å; F826-W837 AromaticContact CZ-CH2 3.67Å; F826-W837 HydrophobicContact CZ-CH2 3.67Å; F826-W837 AromaticContact CZ-CZ2 3.41Å; F826-W837 HydrophobicContact CZ-CZ2 3.41Å; F826-W837 VanDerWaalsContact CZ-CZ2 3.41Å; F826-W837 HydrophobicContact CZ-CZ3 4.09Å
827	I	91	Very high	92.8	Very high	109 Å²	109	45.4 Å²	45.4	56%	0.559	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.7	172.4	-58.8	173.8	0	0	0	107.1
828	D	89	Confident	92.8	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.134	24%	0.243	C	C	.	.			trans	-69.9	124.5	179.3	171.8	57.2	0	0	0	110.1	F826 S830 T831 L832 E833 Q835	F826-D828 HydrophobicContact CE2-CB 4.07Å; D828-S830 PolarHBondContact O-N 2.9Å; D828-S830 VanDerWaalsContact O-N 3.16Å; D828-S830 PolarHBondContact OD2-N 3.09Å; D828-S830 PolarHBondContact OD2-OG 2.99Å; D828-T831 WeakPolarHBondContact CB-OG1 3.45Å; D828-T831 WeakPolarHBondContact OD2-CB 3.24Å; D828-T831 WeakPolarHBondContact OD2-CG2 3.43Å; D828-T831 PolarHBondContact OD2-N 2.9Å; D828-T831 PolarHBondContact OD2-OG1 2.86Å; D828-L832 VanDerWaalsContact O-CA 3.23Å; D828-L832 WeakPolarHBondContact O-CA 2.95Å; D828-L832 PolarHBondContact O-N 2.81Å; D828-E833 PolarHBondContact N-O 3.1Å; D828-Q835 HydrophobicContact CB-CG 3.94Å
829	P	85.8	Confident	92.7	Very high	83 Å²	83	44.8 Å²	44.8	54%	0.539	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.9	-175.7	27.5	-38.6	0	0	0	113.5	P748	P748-P829 VanDerWaalsContact O-CD 3.23Å; P748-P829 WeakPolarHBondContact O-CD 3.38Å; P748-P829 VanDerWaalsContact O-CG 3.24Å; P748-P829 WeakPolarHBondContact O-CG 3.26Å
830	S	84.3	Confident	92.5	Very high	101 Å²	101	44.8 Å²	44.8	71%	0.706	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-40.2	-177.6	76.9	0	0	0	0	113.2	D828	D828-S830 PolarHBondContact O-N 2.9Å; D828-S830 VanDerWaalsContact O-N 3.16Å; D828-S830 PolarHBondContact OD2-N 3.09Å; D828-S830 PolarHBondContact OD2-OG 2.99Å
831	T	86.8	Confident	92.4	Very high	69 Å²	69	44.8 Å²	44.8	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-19.1	-178.6	56.3	0	0	0	0	113.3	D828 E833	D828-T831 WeakPolarHBondContact CB-OG1 3.45Å; D828-T831 WeakPolarHBondContact OD2-CB 3.24Å; D828-T831 WeakPolarHBondContact OD2-CG2 3.43Å; D828-T831 PolarHBondContact OD2-N 2.9Å; D828-T831 PolarHBondContact OD2-OG1 2.86Å; T831-E833 PolarHBondContact O-N 2.91Å; T831-E833 PolarHBondContact OG1-N 3.19Å
832	L	85.9	Confident	92.3	Very high	138 Å²	138	47 Å²	47	72%	0.723	26%	0.256	S	S	*	.			trans	58.3	17.1	-169	-57.1	174.2	0	0	0	113.6	D828	D828-L832 VanDerWaalsContact O-CA 3.23Å; D828-L832 WeakPolarHBondContact O-CA 2.95Å; D828-L832 PolarHBondContact O-N 2.81Å
833	E	89.6	Confident	92.3	Very high	122 Å²	122	45.7 Å²	45.7	57%	0.57	25%	0.249	S	C	*	.			trans	-94.4	148.6	176.9	-65.5	-174.4	166.1	0	0	111.1	D828 T831 Q835	D828-E833 PolarHBondContact N-O 3.1Å; T831-E833 PolarHBondContact O-N 2.91Å; T831-E833 PolarHBondContact OG1-N 3.19Å; E833-Q835 PolarHBondContact O-N 2.94Å
834	Q	92	Very high	92.1	Very high	97 Å²	97	45.9 Å²	45.9	45%	0.453	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.3	171.7	-177.7	173.4	51.6	0	0	109.8	S793 T825	S793-Q834 PolarHBondContact O-NE2 2.87Å; T825-Q834 WeakPolarHBondContact OG1-CG 3.42Å; T825-Q834 PolarHBondContact OG1-NE2 2.68Å
835	Q	93.8	Very high	92.1	Very high	59 Å²	59	46 Å²	46	28%	0.276	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	143	176.4	-66.5	-65.5	-29.3	0	0	110.1	T825 F826 D828 E833	T825-Q835 VanDerWaalsContact CA-O 3.28Å; T825-Q835 WeakPolarHBondContact CA-O 3.4Å; T825-Q835 PolarHBondContact OG1-O 2.89Å; F826-Q835 HydrophobicContact CD1-CB 4.39Å; F826-Q835 HydrophobicContact CE1-CB 3.85Å; F826-Q835 HydrophobicContact CE2-CB 4.19Å; F826-Q835 HydrophobicContact CZ-CB 3.73Å; F826-Q835 HydrophobicContact CZ-CG 4.34Å; F826-Q835 PolarHBondContact N-O 3.05Å; F826-Q835 VanDerWaalsContact N-O 3.12Å; F826-Q835 PolarHBondContact O-N 2.88Å; D828-Q835 HydrophobicContact CB-CG 3.94Å; E833-Q835 PolarHBondContact O-N 2.94Å
836	V	95.9	Very high	92	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.085	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.1	177.2	-175	0	0	0	0	109.2	V794 L802 L823 V824	V794-V836 HydrophobicContact CG1-CG2 3.86Å; V794-V836 HydrophobicContact CG2-CG2 4.03Å; L802-V836 HydrophobicContact CD1-CB 4.08Å; L802-V836 HydrophobicContact CD1-CG1 4.08Å; L823-V836 HydrophobicContact CB-CG1 4.23Å; L823-V836 HydrophobicContact CD2-CG1 3.98Å; V824-V836 CarbonylContact O-C 3.51Å; V824-V836 WeakPolarHBondContact O-CA 3.36Å
837	W	96.3	Very high	92	Very high	31 Å²	31	47.1 Å²	47.1	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.3	-178.9	-69.7	-8.4	0	0	0	111.7	A622 P624 A745 P747 L823 V824 F826	A622-W837 WeakPolarHBondContact O-CA 3.45Å; P624-W837 HydrophobicContact CB-CD2 4.47Å; P624-W837 HydrophobicContact CB-CE3 3.79Å; P624-W837 HydrophobicContact CB-CZ3 4.13Å; P624-W837 HydrophobicContact CG-CB 4.14Å; P624-W837 HydrophobicContact CG-CD2 4.36Å; P624-W837 HydrophobicContact CG-CE3 3.83Å; A745-W837 HydrophobicContact CB-CZ3 4.49Å; P747-W837 HydrophobicContact CB-CZ3 4.18Å; P747-W837 HydrophobicContact CG-CE3 4.1Å; P747-W837 HydrophobicContact CG-CZ3 3.99Å; L823-W837 CarbonylContact C-O 3.6Å; L823-W837 VanDerWaalsContact CA-O 3.26Å; L823-W837 WeakPolarHBondContact CA-O 3.48Å; V824-W837 HydrophobicContact CG1-CB 3.79Å; V824-W837 HydrophobicContact CG1-CE3 4.39Å; V824-W837 PolarHBondContact N-O 3.38Å; V824-W837 PolarHBondContact O-N 3.12Å; F826-W837 AromaticContact CE1-CD2 3.6Å; F826-W837 HydrophobicContact CE1-CD2 3.6Å; F826-W837 AromaticContact CE1-CE2 3.6Å; F826-W837 AromaticContact CE1-CE3 3.77Å; F826-W837 HydrophobicContact CE1-CE3 3.77Å; F826-W837 HydrophobicContact CE1-CG 4.16Å; F826-W837 HydrophobicContact CE1-CH2 4.03Å; F826-W837 AromaticContact CE1-CZ2 3.85Å; F826-W837 HydrophobicContact CE1-CZ2 3.85Å; F826-W837 AromaticContact CE1-CZ3 3.99Å; F826-W837 HydrophobicContact CE1-CZ3 3.99Å; F826-W837 HydrophobicContact CZ-CD2 4.07Å; F826-W837 AromaticContact CZ-CE2 3.6Å; F826-W837 HydrophobicContact CZ-CE3 4.27Å; F826-W837 AromaticContact CZ-CH2 3.67Å; F826-W837 HydrophobicContact CZ-CH2 3.67Å; F826-W837 AromaticContact CZ-CZ2 3.41Å; F826-W837 HydrophobicContact CZ-CZ2 3.41Å; F826-W837 VanDerWaalsContact CZ-CZ2 3.41Å; F826-W837 HydrophobicContact CZ-CZ3 4.09Å
838	A	96.5	Very high	92.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.3	171.2	0	0	0	0	0	111	F616 V621 A622 V623 P624 I806 L823	F616-A838 HydrophobicContact CD1-CB 3.85Å; F616-A838 HydrophobicContact CD2-CB 3.96Å; F616-A838 HydrophobicContact CE1-CB 3.9Å; F616-A838 HydrophobicContact CE2-CB 4Å; F616-A838 HydrophobicContact CG-CB 3.89Å; F616-A838 HydrophobicContact CZ-CB 3.96Å; V621-A838 HydrophobicContact CG2-CB 4.06Å; A622-A838 PolarHBondContact O-N 2.63Å; V623-A838 HydrophobicContact CG1-CB 4.28Å; P624-A838 WeakPolarHBondContact CD-O 3.24Å; I806-A838 HydrophobicContact CD1-CB 4.25Å; L823-A838 HydrophobicContact CD2-CB 4Å
839	T	93.4	Very high	92.6	Very high	24 Å²	24	41.3 Å²	41.3	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-18.6	-170.9	67.6	0	0	0	0	114.1	P624 D822 V824	P624-T839 HydrophobicContact CG-CG2 3.94Å; D822-T839 PolarHBondContact O-N 2.96Å; D822-T839 PolarHBondContact O-OG1 3.37Å; D822-T839 VanDerWaalsContact O-OG1 3.1Å; V824-T839 HydrophobicContact CB-CG2 4.15Å; V824-T839 HydrophobicContact CG1-CG2 3.57Å
840	G	93.3	Very high	93	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	145.1	-176.9	0	0	0	0	0	113.4	F616 I821 D822	F616-G840 WeakPolarHBondContact CZ-O 3.29Å; I821-G840 WeakPolarHBondContact CA-O 3.48Å; D822-G840 PolarHBondContact N-O 3.33Å; D822-G840 PolarHBondContact O-N 2.83Å
841	L	95.1	Very high	93.6	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.6	174.7	-179.4	67.3	0	0	0	107.8	V615 F616 F819 I821 L843	V615-L841 HydrophobicContact CB-CD2 4.01Å; V615-L841 HydrophobicContact CG1-CD2 4.08Å; V615-L841 HydrophobicContact CG2-CD2 3.88Å; F616-L841 HydrophobicContact CE1-CB 4.24Å; F616-L841 HydrophobicContact CZ-CB 3.84Å; F819-L841 HydrophobicContact CD2-CD1 3.67Å; F819-L841 HydrophobicContact CE2-CD1 4.25Å; I821-L841 HydrophobicContact CG1-CD1 4.09Å; L841-L843 HydrophobicContact CD1-CD2 4.33Å; L841-L843 HydrophobicContact CD2-CD2 4.3Å; L841-L843 HydrophobicContact CG-CD2 4.18Å
842	N	93.9	Very high	94.1	Very high	46 Å²	46	29.6 Å²	29.6	25%	0.246	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.8	178	-176.8	24.3	0	0	0	110	F819 S820 A844	F819-N842 CarbonylContact C-O 3.5Å; F819-N842 WeakPolarHBondContact CA-O 3.45Å; F819-N842 VanDerWaalsContact CB-O 3.31Å; F819-N842 WeakPolarHBondContact CB-O 3.05Å; S820-N842 PolarHBondContact N-O 3.2Å; S820-N842 PolarHBondContact O-N 2.76Å; N842-A844 PolarHBondContact O-N 3.18Å
843	L	95.1	Very high	94.5	Very high	12 Å²	12	24.8 Å²	24.8	6%	0.063	12%	0.123	C	C	.	.			trans	-83.6	59.6	-179.4	-57.3	-171.4	0	0	0	110.9	L602 A603 Y606 S607 V815 F819 L841	L602-L843 HydrophobicContact CD2-CD1 4.19Å; A603-L843 HydrophobicContact CB-CB 4.32Å; Y606-L843 HydrophobicContact CD2-CD1 4.41Å; S607-L843 PolarHBondContact OG-N 3.22Å; V815-L843 HydrophobicContact CG1-CD1 4.09Å; V815-L843 HydrophobicContact CG1-CD2 3.79Å; V815-L843 HydrophobicContact CG2-CD1 3.96Å; F819-L843 HydrophobicContact CB-CD2 3.53Å; F819-L843 HydrophobicContact CD2-CD2 4.5Å; F819-L843 HydrophobicContact CG-CD2 4.09Å; L841-L843 HydrophobicContact CD1-CD2 4.33Å; L841-L843 HydrophobicContact CD2-CD2 4.3Å; L841-L843 HydrophobicContact CG-CD2 4.18Å
844	A	93.4	Very high	94.8	Very high	7 Å²	7	19.5 Å²	19.5	6%	0.058	10%	0.099	C	C	.	.	S	Bend	trans	-145.4	162.2	-179.6	0	0	0	0	0	110.6	G578 L579 Y818 N842 S846	G578-A844 VanDerWaalsContact O-CA 3.29Å; G578-A844 WeakPolarHBondContact O-CA 3.44Å; G578-A844 WeakPolarHBondContact O-CB 3.34Å; L579-A844 HydrophobicContact CB-CB 4.16Å; L579-A844 HydrophobicContact CD1-CB 4.29Å; Y818-A844 PolarHBondContact O-N 2.84Å; N842-A844 PolarHBondContact O-N 3.18Å; A844-S846 PolarHBondContact O-N 3.06Å
845	Y	94.8	Very high	94.9	Very high	7 Å²	7	15 Å²	15	3%	0.027	8%	0.078	C	C	.	.			trans	-72.5	126.5	168.7	-161.8	-74.9	0	0	0	109.9	Q477 R480 V576 G578 Y818 L849 A850	Q477-Y845 PolarHBondContact NE2-O 3.35Å; R480-Y845 HydrophobicContact CG-CD1 4.37Å; R480-Y845 HydrophobicContact CG-CE1 3.76Å; R480-Y845 HydrophobicContact CG-CE2 4.46Å; V576-Y845 HydrophobicContact CG1-CD2 4.13Å; G578-Y845 PolarHBondContact O-N 3.41Å; Y818-Y845 AromaticContact CD1-CD2 3.95Å; Y818-Y845 HydrophobicContact CD1-CD2 3.95Å; Y818-Y845 HydrophobicContact CD1-CE2 4.04Å; Y818-Y845 AromaticContact CD2-CD2 3.74Å; Y818-Y845 HydrophobicContact CD2-CD2 3.74Å; Y818-Y845 HydrophobicContact CD2-CE2 4.28Å; Y818-Y845 HydrophobicContact CE1-CD2 4.25Å; Y818-Y845 AromaticContact CE1-CE2 3.93Å; Y818-Y845 HydrophobicContact CE1-CE2 3.93Å; Y818-Y845 HydrophobicContact CE2-CD2 4.06Å; Y818-Y845 HydrophobicContact CE2-CE2 4.19Å; Y818-Y845 AromaticContact CG-CD2 3.68Å; Y818-Y845 HydrophobicContact CG-CD2 3.68Å; Y818-Y845 HydrophobicContact CG-CE2 4.21Å; Y845-L849 HydrophobicContact CD1-CB 4.48Å; Y845-L849 HydrophobicContact CD1-CD2 4.31Å; Y845-L849 HydrophobicContact CD2-CD2 4.03Å; Y845-L849 HydrophobicContact CE1-CB 4.01Å; Y845-L849 HydrophobicContact CE1-CD2 3.92Å; Y845-L849 HydrophobicContact CE1-CG 3.88Å; Y845-L849 HydrophobicContact CE2-CD2 3.65Å; Y845-L849 HydrophobicContact CE2-CG 4.3Å; Y845-L849 HydrophobicContact CG-CD2 4.33Å; Y845-A850 HydrophobicContact CE1-CB 3.95Å
846	S	93.6	Very high	94.9	Very high	11 Å²	11	13.5 Å²	13.5	8%	0.077	7%	0.072	C	C	.	.			trans	-86.9	160.2	-174.8	75.2	0	0	0	0	113.2	D758 A844 Q848 L849 A850	D758-S846 WeakPolarHBondContact OD1-CB 3.26Å; D758-S846 PolarHBondContact OD1-OG 2.81Å; D758-S846 PolarHBondContact OD2-OG 2.81Å; A844-S846 PolarHBondContact O-N 3.06Å; S846-Q848 VanDerWaalsContact C-N 3.34Å; S846-L849 VanDerWaalsContact OG-CB 3.29Å; S846-L849 WeakPolarHBondContact OG-CB 2.85Å; S846-L849 PolarHBondContact OG-N 3.07Å; S846-A850 PolarHBondContact O-N 2.99Å
847	D	93.5	Very high	94.8	Very high	24 Å²	24	13 Å²	13	13%	0.128	7%	0.068	C	C	.	.	H	α-helix	trans	-68.5	-35.1	171.4	-68.4	-21.9	0	0	0	111.5	T476 Q477 R662 A850 L851 T904 Q905	T476-D847 PolarHBondContact OG1-OD1 2.77Å; Q477-D847 WeakPolarHBondContact CG-OD1 3.41Å; Q477-D847 PolarHBondContact NE2-OD1 3.39Å; R662-D847 IonicContact CZ-OD2 3.9Å; R662-D847 IonicContact NH2-OD2 3.59Å; R662-D847 PolarHBondContact NH2-OD2 3.36Å; D847-A850 PolarHBondContact O-N 2.85Å; D847-L851 PolarHBondContact O-N 2.79Å; D847-T904 HydrophobicContact CB-CG2 3.93Å; D847-T904 PolarHBondContact OD2-OG1 3.08Å; D847-Q905 PolarHBondContact OD2-NE2 2.88Å
848	Q	95.3	Very high	94.6	Very high	11 Å²	11	11.6 Å²	11.6	5%	0.051	6%	0.063	C	C	.	.	H	α-helix	trans	-57.8	-51.6	174.4	-178.4	-177.7	-88.8	0	0	110	T756 D758 S771 T787 V789 S846 A850 L851 T852	T756-Q848 PolarHBondContact O-NE2 2.78Å; D758-Q848 PolarHBondContact OD2-NE2 2.8Å; S771-Q848 PolarHBondContact OG-NE2 2.8Å; T787-Q848 HydrophobicContact CG2-CB 4.5Å; T787-Q848 HydrophobicContact CG2-CG 4.32Å; V789-Q848 HydrophobicContact CG2-CG 4.27Å; S846-Q848 VanDerWaalsContact C-N 3.34Å; Q848-A850 VanDerWaalsContact C-N 3.29Å; Q848-A850 PolarHBondContact O-N 2.82Å; Q848-L851 PolarHBondContact O-N 3.29Å; Q848-L851 VanDerWaalsContact O-N 3.11Å; Q848-T852 PolarHBondContact O-N 3.32Å; Q848-T852 PolarHBondContact O-OG1 3.3Å; Q848-T852 VanDerWaalsContact O-OG1 3.1Å
849	L	95.8	Very high	94.3	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-58.8	-41.5	179.3	-178.2	59.8	0	0	0	111.9	D758 L770 Y818 Y845 S846 L851 T852 Q853	D758-L849 HydrophobicContact CB-CB 4.15Å; D758-L849 HydrophobicContact CB-CD1 4.32Å; D758-L849 PolarHBondContact OD2-N 2.84Å; L770-L849 HydrophobicContact CB-CD1 3.8Å; L770-L849 HydrophobicContact CD1-CD1 3.99Å; L770-L849 HydrophobicContact CD1-CD2 3.87Å; Y818-L849 HydrophobicContact CD1-CD2 3.56Å; Y818-L849 HydrophobicContact CE1-CD2 3.97Å; Y818-L849 HydrophobicContact CG-CD2 4.45Å; Y845-L849 HydrophobicContact CD1-CB 4.48Å; Y845-L849 HydrophobicContact CD1-CD2 4.31Å; Y845-L849 HydrophobicContact CD2-CD2 4.03Å; Y845-L849 HydrophobicContact CE1-CB 4.01Å; Y845-L849 HydrophobicContact CE1-CD2 3.92Å; Y845-L849 HydrophobicContact CE1-CG 3.88Å; Y845-L849 HydrophobicContact CE2-CD2 3.65Å; Y845-L849 HydrophobicContact CE2-CG 4.3Å; Y845-L849 HydrophobicContact CG-CD2 4.33Å; S846-L849 VanDerWaalsContact OG-CB 3.29Å; S846-L849 WeakPolarHBondContact OG-CB 2.85Å; S846-L849 PolarHBondContact OG-N 3.07Å; L849-L851 VanDerWaalsContact C-N 3.34Å; L849-L851 PolarHBondContact O-N 3.35Å; L849-T852 PolarHBondContact O-N 3.2Å; L849-Q853 WeakPolarHBondContact O-CG 3.45Å; L849-Q853 PolarHBondContact O-N 3.01Å
850	A	95.9	Very high	94.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-44.8	177.3	0	0	0	0	0	111.6	Q477 G479 Y845 S846 D847 Q848 Q853 L854	Q477-A850 HydrophobicContact CB-CB 3.97Å; Q477-A850 HydrophobicContact CG-CB 4.27Å; G479-A850 VanDerWaalsContact CA-O 3.3Å; G479-A850 WeakPolarHBondContact CA-O 3.32Å; Y845-A850 HydrophobicContact CE1-CB 3.95Å; S846-A850 PolarHBondContact O-N 2.99Å; D847-A850 PolarHBondContact O-N 2.85Å; Q848-A850 VanDerWaalsContact C-N 3.29Å; Q848-A850 PolarHBondContact O-N 2.82Å; A850-Q853 PolarHBondContact O-N 3.2Å; A850-L854 PolarHBondContact O-N 3.35Å
851	L	96.1	Very high	93.9	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-71	-36.3	178.3	-68.9	177.8	0	0	0	112.3	D847 Q848 L849 Q853 L854 T855 M902 T904 I941	D847-L851 PolarHBondContact O-N 2.79Å; Q848-L851 PolarHBondContact O-N 3.29Å; Q848-L851 VanDerWaalsContact O-N 3.11Å; L849-L851 VanDerWaalsContact C-N 3.34Å; L849-L851 PolarHBondContact O-N 3.35Å; L851-Q853 VanDerWaalsContact C-N 3.33Å; L851-Q853 PolarHBondContact O-N 2.91Å; L851-L854 WeakPolarHBondContact O-CB 3.35Å; L851-L854 PolarHBondContact O-N 2.98Å; L851-L854 VanDerWaalsContact O-N 3.11Å; L851-T855 PolarHBondContact O-N 2.93Å; L851-T855 PolarHBondContact O-OG1 3.23Å; L851-T855 VanDerWaalsContact O-OG1 3.11Å; L851-M902 HydrophobicContact CB-CB 4.17Å; L851-M902 HydrophobicContact CB-CG 4.09Å; L851-M902 HydrophobicContact CB-SD 3.41Å; L851-M902 WeakPolarHBondContact CB-SD 3.29Å; L851-M902 HydrophobicContact CD1-CB 3.86Å; L851-M902 HydrophobicContact CD1-CG 4.03Å; L851-M902 HydrophobicContact CD1-SD 4.43Å; L851-T904 HydrophobicContact CD1-CG2 3.61Å; L851-T904 HydrophobicContact CD2-CG2 4.32Å; L851-T904 HydrophobicContact CG-CG2 3.99Å; L851-I941 HydrophobicContact CD2-CD1 3.55Å; L851-I941 HydrophobicContact CD2-CG1 3.87Å
852	T	96.2	Very high	93.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-42.4	172.3	-60.5	0	0	0	0	111.3	S771 V789 Q848 L849 L854 T855 L856 L863	S771-T852 PolarHBondContact OG-OG1 3.29Å; V789-T852 HydrophobicContact CG1-CG2 4.47Å; Q848-T852 PolarHBondContact O-N 3.32Å; Q848-T852 PolarHBondContact O-OG1 3.3Å; Q848-T852 VanDerWaalsContact O-OG1 3.1Å; L849-T852 PolarHBondContact O-N 3.2Å; T852-L854 VanDerWaalsContact C-N 3.27Å; T852-L854 PolarHBondContact O-N 2.94Å; T852-T855 WeakPolarHBondContact O-CB 3.29Å; T852-T855 PolarHBondContact O-N 3.36Å; T852-T855 VanDerWaalsContact O-N 3.16Å; T852-L856 HydrophobicContact CG2-CD1 4.24Å; T852-L856 HydrophobicContact CG2-CG 4.4Å; T852-L856 WeakPolarHBondContact O-CG 3.34Å; T852-L856 PolarHBondContact O-N 3.16Å; T852-L863 HydrophobicContact CG2-CD2 3.77Å
853	Q	95.3	Very high	93.7	Very high	37 Å²	37	18.7 Å²	18.7	17%	0.173	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-38.6	174.4	-68	-53.4	-38.3	0	0	112.1	C482 L849 A850 L851 Y857	C482-Q853 HydrophobicContact CB-CB 4.1Å; L849-Q853 WeakPolarHBondContact O-CG 3.45Å; L849-Q853 PolarHBondContact O-N 3.01Å; A850-Q853 PolarHBondContact O-N 3.2Å; L851-Q853 VanDerWaalsContact C-N 3.33Å; L851-Q853 PolarHBondContact O-N 2.91Å; Q853-Y857 VanDerWaalsContact O-CB 3.31Å; Q853-Y857 WeakPolarHBondContact O-CB 3.25Å; Q853-Y857 PolarHBondContact O-N 3.17Å
854	L	95.4	Very high	93.6	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.063	11%	0.107	C	C	.	.	H	α-helix	trans	-66.9	-41.5	174.5	-178.5	62.4	0	0	0	112.1	I510 A850 L851 T852 Y857 L858 I941 L954	I510-L854 HydrophobicContact CG2-CD1 4.17Å; A850-L854 PolarHBondContact O-N 3.35Å; L851-L854 WeakPolarHBondContact O-CB 3.35Å; L851-L854 PolarHBondContact O-N 2.98Å; L851-L854 VanDerWaalsContact O-N 3.11Å; T852-L854 VanDerWaalsContact C-N 3.27Å; T852-L854 PolarHBondContact O-N 2.94Å; L854-Y857 PolarHBondContact O-N 3.3Å; L854-L858 HydrophobicContact CD1-CD1 4.05Å; L854-L858 HydrophobicContact CD1-CG 4.1Å; L854-L858 HydrophobicContact CG-CD1 3.93Å; L854-L858 HydrophobicContact CG-CG 4.41Å; L854-L858 WeakPolarHBondContact O-CG 3.37Å; L854-L858 PolarHBondContact O-N 3.26Å; L854-I941 HydrophobicContact CD2-CD1 4.4Å; L854-I941 HydrophobicContact CD2-CG1 4.04Å; L854-L954 HydrophobicContact CB-CD2 4.49Å; L854-L954 HydrophobicContact CD2-CD2 4.1Å; L854-L954 HydrophobicContact CG-CD2 4.05Å
855	T	95.1	Very high	93.4	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-58.1	-48.5	174.8	-58.7	0	0	0	0	111.5	L851 T852 Y857 L858 T859 L870 A900 L954 I956	L851-T855 PolarHBondContact O-N 2.93Å; L851-T855 PolarHBondContact O-OG1 3.23Å; L851-T855 VanDerWaalsContact O-OG1 3.11Å; T852-T855 WeakPolarHBondContact O-CB 3.29Å; T852-T855 PolarHBondContact O-N 3.36Å; T852-T855 VanDerWaalsContact O-N 3.16Å; T855-Y857 VanDerWaalsContact C-N 3.32Å; T855-Y857 PolarHBondContact O-N 3.22Å; T855-L858 PolarHBondContact O-N 3.5Å; T855-T859 WeakPolarHBondContact O-CB 3.48Å; T855-T859 WeakPolarHBondContact O-CG2 3.21Å; T855-T859 PolarHBondContact O-N 2.76Å; T855-T859 VanDerWaalsContact O-N 3.09Å; T855-T859 PolarHBondContact O-OG1 3.5Å; T855-L870 HydrophobicContact CG2-CD2 3.88Å; T855-A900 HydrophobicContact CG2-CB 3.99Å; T855-L954 VanDerWaalsContact OG1-CD1 3.29Å; T855-L954 WeakPolarHBondContact OG1-CD1 3.22Å; T855-I956 HydrophobicContact CG2-CD1 3.9Å; T855-I956 HydrophobicContact CG2-CG1 4.29Å
856	L	94.1	Very high	93.1	Very high	26 Å²	26	22.8 Å²	22.8	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.1	-66.1	175.3	0	0	0	111.4	T852 N860 G861 L863 L870	T852-L856 HydrophobicContact CG2-CD1 4.24Å; T852-L856 HydrophobicContact CG2-CG 4.4Å; T852-L856 WeakPolarHBondContact O-CG 3.34Å; T852-L856 PolarHBondContact O-N 3.16Å; L856-N860 VanDerWaalsContact O-CA 3.24Å; L856-N860 WeakPolarHBondContact O-CA 3.39Å; L856-N860 PolarHBondContact O-N 2.9Å; L856-G861 WeakPolarHBondContact CD2-O 3.47Å; L856-G861 PolarHBondContact O-N 3.18Å; L856-L863 HydrophobicContact CD2-CB 3.89Å; L856-L870 HydrophobicContact CD2-CD1 3.73Å
857	Y	92.8	Very high	92.8	Very high	3 Å²	3	27 Å²	27	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-44.6	177.7	-169.9	-92.1	0	0	0	113.1	C482 I484 L485 L511 H514 L528 Q853 L854 T855	C482-Y857 HydrophobicContact CB-CD2 3.94Å; C482-Y857 HydrophobicContact CB-CG 4Å; I484-Y857 HydrophobicContact CG2-CD2 4.4Å; I484-Y857 HydrophobicContact CG2-CE2 3.54Å; L485-Y857 HydrophobicContact CB-CD2 4.28Å; L485-Y857 HydrophobicContact CD1-CD2 3.81Å; L485-Y857 HydrophobicContact CD1-CE2 4.36Å; L511-Y857 HydrophobicContact CD2-CE1 4.01Å; L511-Y857 PolarHBondContact O-OH 2.85Å; H514-Y857 HydrophobicContact CB-CD1 4.32Å; H514-Y857 HydrophobicContact CB-CE1 3.52Å; H514-Y857 HydrophobicContact CB-CE2 4.03Å; H514-Y857 VanDerWaalsContact CB-OH 3.27Å; H514-Y857 WeakPolarHBondContact CB-OH 3.15Å; H514-Y857 PolarHBondContact CD2-O 3.02Å; H514-Y857 AromaticContact CG-CE2 3.95Å; H514-Y857 AromaticContact CG-CZ 3.79Å; L528-Y857 WeakPolarHBondContact CD1-OH 3.49Å; Q853-Y857 VanDerWaalsContact O-CB 3.31Å; Q853-Y857 WeakPolarHBondContact O-CB 3.25Å; Q853-Y857 PolarHBondContact O-N 3.17Å; L854-Y857 PolarHBondContact O-N 3.3Å; T855-Y857 VanDerWaalsContact C-N 3.32Å; T855-Y857 PolarHBondContact O-N 3.22Å
858	L	91.9	Very high	92.6	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-33.2	-178.7	-71.2	170.3	0	0	0	112.7	I510 V517 L854 T855 Y930 V939 L954	I510-L858 HydrophobicContact CG2-CD2 4.24Å; V517-L858 WeakPolarHBondContact CG1-O 3.44Å; V517-L858 VanDerWaalsContact CG2-O 3.25Å; V517-L858 WeakPolarHBondContact CG2-O 3.31Å; L854-L858 HydrophobicContact CD1-CD1 4.05Å; L854-L858 HydrophobicContact CD1-CG 4.1Å; L854-L858 HydrophobicContact CG-CD1 3.93Å; L854-L858 HydrophobicContact CG-CG 4.41Å; L854-L858 WeakPolarHBondContact O-CG 3.37Å; L854-L858 PolarHBondContact O-N 3.26Å; T855-L858 PolarHBondContact O-N 3.5Å; L858-Y930 HydrophobicContact CB-CE1 4.42Å; L858-Y930 PolarHBondContact O-OH 2.84Å; L858-V939 HydrophobicContact CD1-CB 4.24Å; L858-V939 HydrophobicContact CD1-CG1 4.37Å; L858-V939 HydrophobicContact CD1-CG2 3.73Å; L858-L954 HydrophobicContact CD1-CD2 4.02Å
859	T	91	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-95.3	-16.9	-175.7	57.4	0	0	0	0	113.6	T855 G861 V872 R935 I956	T855-T859 WeakPolarHBondContact O-CB 3.48Å; T855-T859 WeakPolarHBondContact O-CG2 3.21Å; T855-T859 PolarHBondContact O-N 2.76Å; T855-T859 VanDerWaalsContact O-N 3.09Å; T855-T859 PolarHBondContact O-OG1 3.5Å; T859-G861 PolarHBondContact O-N 2.79Å; T859-G861 PolarHBondContact OG1-N 3.33Å; T859-V872 HydrophobicContact CG2-CG2 4.22Å; T859-R935 WeakPolarHBondContact O-CD 3.36Å; T859-R935 PolarHBondContact O-NH1 2.89Å; T859-I956 HydrophobicContact CG2-CD1 3.86Å; T859-I956 HydrophobicContact CG2-CG2 4.16Å
860	N	89.8	Confident	92.2	Very high	69 Å²	69	27.5 Å²	27.5	37%	0.369	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	39.1	-162	-172	63.4	0	0	0	110.9	V517 L856	V517-N860 HydrophobicContact CG1-CB 3.63Å; L856-N860 VanDerWaalsContact O-CA 3.24Å; L856-N860 WeakPolarHBondContact O-CA 3.39Å; L856-N860 PolarHBondContact O-N 2.9Å
861	G	89.1	Confident	92	Very high	17 Å²	17	31.9 Å²	31.9	18%	0.175	17%	0.173	C	C	.	.			trans	-88	165	-178.3	0	0	0	0	0	112.8	L856 T859 E871	L856-G861 WeakPolarHBondContact CD2-O 3.47Å; L856-G861 PolarHBondContact O-N 3.18Å; T859-G861 PolarHBondContact O-N 2.79Å; T859-G861 PolarHBondContact OG1-N 3.33Å; G861-E871 CarbonylContact C-O 3.56Å; G861-E871 WeakPolarHBondContact CA-O 3.4Å
862	H	91.9	Very high	91.6	Very high	120 Å²	120	31.8 Å²	31.8	56%	0.556	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.8	173.2	-177.8	-89	0	0	0	109.4	E871	H862-E871 PolarHBondContact N-O 3.02Å; H862-E871 PolarHBondContact O-N 3.28Å
863	L	92.9	Very high	90.7	Very high	22 Å²	22	34.8 Å²	34.8	12%	0.115	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.4	173.8	177.3	65.6	0	0	0	109.1	V789 P790 T852 L856 L870	V789-L863 HydrophobicContact CG1-CD1 4.37Å; V789-L863 HydrophobicContact CG1-CD2 4.11Å; P790-L863 HydrophobicContact CB-CD1 3.93Å; T852-L863 HydrophobicContact CG2-CD2 3.77Å; L856-L863 HydrophobicContact CD2-CB 3.89Å; L863-L870 HydrophobicContact CB-CD1 4.16Å; L863-L870 HydrophobicContact CD1-CB 4.15Å
864	D	91.5	Very high	89.3	Confident	44 Å²	44	38.5 Å²	38.5	24%	0.235	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	100	169.6	-169.2	-20.6	0	0	0	109.7	S866 L867 S868 T869	D864-S866 PolarHBondContact O-N 3.36Å; D864-S866 WeakPolarHBondContact OD1-CB 3.33Å; D864-S866 PolarHBondContact OD1-N 3.37Å; D864-S866 PolarHBondContact OD1-OG 3.33Å; D864-L867 HydrophobicContact CB-CB 4.5Å; D864-L867 PolarHBondContact O-N 3.34Å; D864-L867 PolarHBondContact OD1-N 2.92Å; D864-S868 WeakPolarHBondContact O-CA 3.33Å; D864-S868 PolarHBondContact O-N 3.45Å; D864-T869 PolarHBondContact N-O 3.18Å; D864-T869 PolarHBondContact O-N 3.18Å; D864-T869 VanDerWaalsContact O-N 3.09Å
865	C	89.7	Confident	87.5	Confident	12 Å²	12	42.3 Å²	42.3	8%	0.081	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.6	178.1	-62.9	0	0	0	0	113.4	V769 T772 L867	V769-C865 HydrophobicContact CB-CB 4.14Å; V769-C865 HydrophobicContact CG1-CB 3.74Å; T772-C865 HydrophobicContact CG2-CB 4.05Å; C865-L867 VanDerWaalsContact C-N 3.32Å
866	S	87.9	Confident	85.6	Confident	57 Å²	57	47 Å²	47	40%	0.399	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-24.8	-179.9	73.1	0	0	0	0	112.7	P796 D864	P796-S866 VanDerWaalsContact CB-O 3.29Å; P796-S866 WeakPolarHBondContact CB-O 3.47Å; D864-S866 PolarHBondContact O-N 3.36Å; D864-S866 WeakPolarHBondContact OD1-CB 3.33Å; D864-S866 PolarHBondContact OD1-N 3.37Å; D864-S866 PolarHBondContact OD1-OG 3.33Å
867	L	87.8	Confident	83.6	Confident	100 Å²	100	50 Å²	50	52%	0.524	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-9.5	174.1	-59.3	179	0	0	0	112.3	D864 C865 T869	D864-L867 HydrophobicContact CB-CB 4.5Å; D864-L867 PolarHBondContact O-N 3.34Å; D864-L867 PolarHBondContact OD1-N 2.92Å; C865-L867 VanDerWaalsContact C-N 3.32Å; L867-T869 VanDerWaalsContact C-N 3.29Å; L867-T869 HydrophobicContact CB-CG2 4.12Å; L867-T869 PolarHBondContact O-N 3.08Å
868	S	89.8	Confident	81.5	Confident	12 Å²	12	59.6 Å²	59.6	8%	0.084	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	44.8	-171.7	-146.9	0	0	0	0	112.3	P790 Q791 P796 D864	P790-S868 WeakPolarHBondContact CB-O 3.11Å; P790-S868 WeakPolarHBondContact CB-OG 3.32Å; P790-S868 WeakPolarHBondContact CG-O 3.37Å; Q791-S868 PolarHBondContact NE2-OG 3.44Å; Q791-S868 PolarHBondContact O-OG 2.94Å; P796-S868 VanDerWaalsContact CG-CB 3.43Å; D864-S868 WeakPolarHBondContact O-CA 3.33Å; D864-S868 PolarHBondContact O-N 3.45Å
869	T	90.3	Very high	79.2	Confident	33 Å²	33	67.9 Å²	67.9	20%	0.202	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	179.9	55.6	0	0	0	0	110.8	D864 L867	D864-T869 PolarHBondContact N-O 3.18Å; D864-T869 PolarHBondContact O-N 3.18Å; D864-T869 VanDerWaalsContact O-N 3.09Å; L867-T869 VanDerWaalsContact C-N 3.29Å; L867-T869 HydrophobicContact CB-CG2 4.12Å; L867-T869 PolarHBondContact O-N 3.08Å
870	L	92.5	Very high	76.8	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.01	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	100.3	167.6	171.5	66	0	0	0	107.7	P790 T855 L856 L863 V872 S897 R898	P790-L870 HydrophobicContact CG-CB 4.48Å; T855-L870 HydrophobicContact CG2-CD2 3.88Å; L856-L870 HydrophobicContact CD2-CD1 3.73Å; L863-L870 HydrophobicContact CB-CD1 4.16Å; L863-L870 HydrophobicContact CD1-CB 4.15Å; L870-V872 HydrophobicContact CG-CG2 4.42Å; L870-S897 CarbonylContact O-C 3.55Å; L870-S897 WeakPolarHBondContact O-CA 3.37Å; L870-R898 WeakPolarHBondContact CB-O 3.4Å; L870-R898 HydrophobicContact CD2-CB 3.85Å; L870-R898 HydrophobicContact CG-CB 4.07Å; L870-R898 PolarHBondContact O-N 3.09Å
871	E	91.1	Very high	74.5	Confident	92 Å²	92	84.2 Å²	84.2	43%	0.43	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.7	-177.7	-66.9	-174.2	179.8	0	0	110.6	G861 H862	G861-E871 CarbonylContact C-O 3.56Å; G861-E871 WeakPolarHBondContact CA-O 3.4Å; H862-E871 PolarHBondContact N-O 3.02Å; H862-E871 PolarHBondContact O-N 3.28Å
872	V	87.3	Confident	72.3	Confident	2 Å²	2	92.9 Å²	92.9	1%	0.012	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.6	174.6	-178.7	0	0	0	0	108.6	T859 L870 R874 T896 R898 R935	T859-V872 HydrophobicContact CG2-CG2 4.22Å; L870-V872 HydrophobicContact CG-CG2 4.42Å; V872-R874 PolarHBondContact O-N 2.91Å; V872-T896 PolarHBondContact N-O 3.42Å; V872-T896 PolarHBondContact O-N 3.48Å; V872-T896 PolarHBondContact O-OG1 3.36Å; V872-R898 HydrophobicContact CB-CG 3.81Å; V872-R898 HydrophobicContact CG2-CB 4.09Å; V872-R898 HydrophobicContact CG2-CG 3.51Å; V872-R935 HydrophobicContact CG1-CB 4.4Å
873	S	77.6	Confident	69.8	Low	64 Å²	64	93.4 Å²	93.4	45%	0.448	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.5	175.9	-48.7	0	0	0	0	109.9	R935	S873-R935 PolarHBondContact O-NH1 2.91Å
874	R	65.6	Low	67.2	Low	116 Å²	116	100 Å²	100	44%	0.438	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-65.4	134.6	169.3	-78.3	-172.9	172.3	173.1	0.9	110	V872 V876 T893 T896 E958	V872-R874 PolarHBondContact O-N 2.91Å; R874-V876 PolarHBondContact O-N 3.24Å; R874-T893 WeakPolarHBondContact O-CG2 3.33Å; R874-T896 HydrophobicContact CG-CG2 4.12Å; R874-T896 VanDerWaalsContact NE-CG2 3.3Å; R874-E958 IonicContact CZ-OE1 3.27Å; R874-E958 IonicContact NE-OE1 3.21Å; R874-E958 IonicContact NH2-OE1 2.86Å; R874-E958 PolarHBondContact NH2-OE1 3.35Å; R874-E958 IonicContact NH2-OE2 2.76Å; R874-E958 PolarHBondContact NH2-OE2 3.16Å
875	F	58.8	Low	64.8	Low	92 Å²	92	110 Å²	110	40%	0.404	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-77.6	116.9	170.3	-173.4	-104.2	0	0	0	108.8	S519 P877	S519-F875 WeakPolarHBondContact O-CE2 3.49Å; S519-F875 WeakPolarHBondContact O-CZ 3.48Å; F875-P877 HydrophobicContact CE1-CB 4.45Å; F875-P877 HydrophobicContact CE1-CG 4.47Å
876	V	54.5	Low	62.3	Low	100 Å²	100	116.9 Å²	116.9	61%	0.606	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-95.9	117.3	167.2	-176.8	0	0	0	0	106.5	R874 K878 T893	R874-V876 PolarHBondContact O-N 3.24Å; V876-K878 PolarHBondContact O-N 3.04Å; V876-T893 HydrophobicContact CG2-CG2 4.39Å
877	P	52	Low	60.2	Low	90 Å²	90	120 Å²	120	58%	0.584	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-53.6	126.6	174.8	-22.6	31.6	0	0	0	109	F875 E879	F875-P877 HydrophobicContact CE1-CB 4.45Å; F875-P877 HydrophobicContact CE1-CG 4.47Å; P877-E879 VanDerWaalsContact C-N 3.3Å; P877-E879 PolarHBondContact O-N 3.42Å
878	K	48.4	Very low	57.5	Low	204 Å²	204	119.6 Å²	119.6	89%	0.887	60%	0.601	S	S	*	*			trans	-63.9	98.1	168.2	-76.7	-178	178.9	174.4	0	107	V876 K880	V876-K878 PolarHBondContact O-N 3.04Å; K878-K880 PolarHBondContact O-N 3.26Å
879	E	43.2	Very low	54.8	Low	177 Å²	177	127 Å²	127	83%	0.827	64%	0.639	S	S	*	*			trans	-51.5	129	165.2	-76.7	-166.3	159.8	0	0	107.7	P877 K881	P877-E879 VanDerWaalsContact C-N 3.3Å; P877-E879 PolarHBondContact O-N 3.42Å; E879-K881 VanDerWaalsContact C-N 3.29Å; E879-K881 PolarHBondContact O-N 2.95Å
880	K	40.4	Very low	52.1	Low	207 Å²	207	131 Å²	131	90%	0.9	67%	0.668	S	S	*	*			trans	-57.9	96.9	173.5	-74.7	179.4	178	174.8	0	107.3	K878 K882	K878-K880 PolarHBondContact O-N 3.26Å; K880-K882 PolarHBondContact O-N 3.1Å
881	K	41.7	Very low	49.2	Very low	205 Å²	205	137.1 Å²	137.1	89%	0.891	71%	0.705	S	S	*	*			trans	-55.8	102.2	174.2	-80.3	-173.9	175.1	-177.8	0	108.2	E879 T883	E879-K881 VanDerWaalsContact C-N 3.29Å; E879-K881 PolarHBondContact O-N 2.95Å; K881-T883 PolarHBondContact O-N 3.28Å
882	K	42.7	Very low	46.6	Very low	200 Å²	200	138.1 Å²	138.1	87%	0.87	72%	0.72	S	S	*	*			trans	-58.6	126.6	149	-79.2	-176.3	176.9	178	0	105.7	K880 N884	K880-K882 PolarHBondContact O-N 3.1Å; K882-N884 PolarHBondContact O-N 2.6Å; K882-N884 VanDerWaalsContact O-N 3.08Å
883	T	40.5	Very low	44.6	Very low	131 Å²	131	142.3 Å²	142.3	80%	0.804	75%	0.746	S	S	*	*	S	Bend	trans	-41.4	113.1	173.9	34.2	0	0	0	0	111.1	K881	K881-T883 PolarHBondContact O-N 3.28Å
884	N	38	Very low	43.6	Very low	161 Å²	161	145.5 Å²	145.5	86%	0.861	76%	0.757	S	S	*	*			trans	-157	124.6	136.8	-90.9	-21.3	0	0	0	109.3	K882 I886	K882-N884 PolarHBondContact O-N 2.6Å; K882-N884 VanDerWaalsContact O-N 3.08Å; N884-I886 PolarHBondContact O-N 3.33Å
885	R	42.1	Very low	43.4	Very low	253 Å²	253	142.3 Å²	142.3	96%	0.955	76%	0.755	S	S	*	*			trans	-72.6	109.6	178.9	-74.7	175.9	170.9	174.7	-3.3	109.2
886	I	37	Very low	44.4	Very low	156 Å²	156	138.8 Å²	138.8	80%	0.8	74%	0.741	S	S	*	*			trans	-139.6	123.9	143.7	-58.3	-176.5	0	0	0	107	N884 A888	N884-I886 PolarHBondContact O-N 3.33Å; I886-A888 PolarHBondContact O-N 2.93Å
887	S	42.4	Very low	46	Very low	124 Å²	124	136.1 Å²	136.1	87%	0.867	73%	0.727	S	S	*	*			trans	-67.5	94.8	175.4	49.8	0	0	0	0	110
888	A	31.5	Very low	47.9	Very low	90 Å²	90	132 Å²	132	74%	0.744	70%	0.7	S	S	*	*			trans	-99.2	126.1	163.1	0	0	0	0	0	108.3	I886 S890	I886-A888 PolarHBondContact O-N 2.93Å; A888-S890 PolarHBondContact O-N 3.41Å
889	L	34.3	Very low	50.2	Low	169 Å²	169	124.9 Å²	124.9	89%	0.885	67%	0.668	S	S	*	*			trans	-45.7	130.5	174.2	-74.9	130.9	0	0	0	110.7	V891	L889-V891 PolarHBondContact O-N 3.04Å
890	S	32	Very low	52.7	Low	116 Å²	116	116.4 Å²	116.4	81%	0.811	63%	0.628	S	S	*	*			trans	-61.1	107.3	175.1	49.9	0	0	0	0	110	A888	A888-S890 PolarHBondContact O-N 3.41Å
891	V	32.1	Very low	55.4	Low	130 Å²	130	106.6 Å²	106.6	79%	0.788	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-63.1	133.1	167	-173.6	0	0	0	0	107.9	L889 T893	L889-V891 PolarHBondContact O-N 3.04Å; V891-T893 PolarHBondContact O-N 3.31Å
892	P	36.1	Very low	58	Low	113 Å²	113	96.8 Å²	96.8	73%	0.734	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-60.1	134.9	176.6	-17.7	29.3	0	0	0	110.4	L894	P892-L894 PolarHBondContact O-N 3.37Å
893	T	46.2	Very low	60.5	Low	91 Å²	91	87.6 Å²	87.6	56%	0.558	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-53.1	120.8	170.9	-28	0	0	0	0	108.9	R874 V876 V891 A895	R874-T893 WeakPolarHBondContact O-CG2 3.33Å; V876-T893 HydrophobicContact CG2-CG2 4.39Å; V891-T893 PolarHBondContact O-N 3.31Å; T893-A895 PolarHBondContact O-N 2.85Å
894	L	56.5	Low	63	Low	131 Å²	131	81.8 Å²	81.8	69%	0.686	47%	0.468	S	S	*	.			trans	-67.8	98.3	-177.7	-152.4	84.1	0	0	0	109	P892	P892-L894 PolarHBondContact O-N 3.37Å
895	A	61.8	Low	65.5	Low	48 Å²	48	76 Å²	76	40%	0.397	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.8	171.3	0	0	0	0	0	108.6	T893	T893-A895 PolarHBondContact O-N 2.85Å
896	T	79.3	Confident	67.9	Low	18 Å²	18	64 Å²	64	11%	0.11	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	178.1	44.9	0	0	0	0	109.9	V872 R874 R898	V872-T896 PolarHBondContact N-O 3.42Å; V872-T896 PolarHBondContact O-N 3.48Å; V872-T896 PolarHBondContact O-OG1 3.36Å; R874-T896 HydrophobicContact CG-CG2 4.12Å; R874-T896 VanDerWaalsContact NE-CG2 3.3Å; T896-R898 VanDerWaalsContact OG1-CZ 3.3Å; T896-R898 PolarHBondContact OG1-NH1 2.88Å; T896-R898 PolarHBondContact OG1-NH2 3.32Å
897	S	87.4	Confident	70.6	Confident	44 Å²	44	60.6 Å²	60.6	31%	0.308	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	143.9	170.7	-165.4	0	0	0	0	109.8	L870	L870-S897 CarbonylContact O-C 3.55Å; L870-S897 WeakPolarHBondContact O-CA 3.37Å
898	R	92.9	Very high	73	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.015	33%	0.327	C	S	.	.			trans	-129.2	152.6	177.6	-69.1	-70.6	-176.9	-100.8	12.8	109.9	L870 V872 T896 I956 G957 E958	L870-R898 WeakPolarHBondContact CB-O 3.4Å; L870-R898 HydrophobicContact CD2-CB 3.85Å; L870-R898 HydrophobicContact CG-CB 4.07Å; L870-R898 PolarHBondContact O-N 3.09Å; V872-R898 HydrophobicContact CB-CG 3.81Å; V872-R898 HydrophobicContact CG2-CB 4.09Å; V872-R898 HydrophobicContact CG2-CG 3.51Å; T896-R898 VanDerWaalsContact OG1-CZ 3.3Å; T896-R898 PolarHBondContact OG1-NH1 2.88Å; T896-R898 PolarHBondContact OG1-NH2 3.32Å; R898-I956 HydrophobicContact CB-CG2 4.4Å; R898-G957 CarbonylContact C-O 3.55Å; R898-G957 VanDerWaalsContact CA-O 3.29Å; R898-G957 WeakPolarHBondContact CA-O 3.48Å; R898-G957 VanDerWaalsContact CD-O 3.29Å; R898-G957 WeakPolarHBondContact CD-O 3.47Å; R898-E958 IonicContact CZ-OE1 2.71Å; R898-E958 IonicContact NH1-OE1 3.34Å; R898-E958 PolarHBondContact NH1-OE1 3.26Å; R898-E958 IonicContact NH2-OE1 3.46Å; R898-E958 PolarHBondContact NH2-OE1 3.35Å
899	Y	95.4	Very high	75.9	Confident	54 Å²	54	52.6 Å²	52.6	21%	0.212	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147	170.6	-59.5	-86.2	0	0	0	108.9	P790 T792 I956 G957 E958 L960	P790-Y899 HydrophobicContact CG-CD1 4.36Å; P790-Y899 HydrophobicContact CG-CE1 4.35Å; T792-Y899 HydrophobicContact CG2-CD1 4.42Å; T792-Y899 HydrophobicContact CG2-CE1 3.81Å; Y899-I956 WeakPolarHBondContact O-CA 3.41Å; Y899-G957 PolarHBondContact N-O 3.32Å; Y899-G957 PolarHBondContact O-N 3.11Å; Y899-E958 WeakPolarHBondContact CD2-O 3.5Å; Y899-E958 WeakPolarHBondContact CE2-O 3.46Å; Y899-L960 HydrophobicContact CD1-CB 4.06Å; Y899-L960 HydrophobicContact CD1-CD1 4.32Å; Y899-L960 HydrophobicContact CD2-CB 4.13Å; Y899-L960 HydrophobicContact CE1-CB 4.46Å; Y899-L960 HydrophobicContact CG-CB 3.89Å; Y899-L960 HydrophobicContact CG-CD1 4.36Å
900	A	96.9	Very high	78.6	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.7	176.8	0	0	0	0	0	110.1	T788 V789 T855 M902 L954 T955 I956	T788-A900 CarbonylContact C-O 3.51Å; T788-A900 VanDerWaalsContact CA-O 3.25Å; T788-A900 WeakPolarHBondContact CA-O 3.35Å; V789-A900 PolarHBondContact N-O 2.91Å; V789-A900 PolarHBondContact O-N 2.78Å; T855-A900 HydrophobicContact CG2-CB 3.99Å; A900-M902 HydrophobicContact CB-CE 3.68Å; A900-L954 HydrophobicContact CB-CD1 3.98Å; A900-T955 CarbonylContact C-O 3.57Å; A900-T955 VanDerWaalsContact CA-O 3.22Å; A900-T955 WeakPolarHBondContact CA-O 3.3Å; A900-I956 HydrophobicContact CB-CG1 4.19Å
901	V	97.3	Very high	81.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.5	167.1	179.6	0	0	0	0	107.2	L776 T788 L954 T955 V963 L964 F967	L776-V901 HydrophobicContact CD1-CG1 3.83Å; T788-V901 HydrophobicContact CG2-CG2 4.09Å; V901-L954 WeakPolarHBondContact O-CA 3.24Å; V901-T955 PolarHBondContact N-O 2.8Å; V901-T955 PolarHBondContact O-N 2.77Å; V901-V963 HydrophobicContact CB-CG1 4.01Å; V901-V963 HydrophobicContact CG2-CB 4.32Å; V901-V963 HydrophobicContact CG2-CG1 3.52Å; V901-L964 HydrophobicContact CG1-CD2 4.3Å; V901-L964 HydrophobicContact CG2-CD2 3.67Å; V901-L964 HydrophobicContact CG2-CG 3.97Å; V901-F967 HydrophobicContact CB-CB 4.34Å; V901-F967 HydrophobicContact CB-CD2 3.86Å; V901-F967 HydrophobicContact CB-CE2 4.49Å; V901-F967 HydrophobicContact CB-CG 4.24Å; V901-F967 HydrophobicContact CG1-CB 4.18Å; V901-F967 HydrophobicContact CG1-CD1 4.18Å; V901-F967 HydrophobicContact CG1-CD2 3.42Å; V901-F967 VanDerWaalsContact CG1-CD2 3.42Å; V901-F967 HydrophobicContact CG1-CE1 4.42Å; V901-F967 HydrophobicContact CG1-CE2 3.74Å; V901-F967 HydrophobicContact CG1-CG 3.67Å; V901-F967 HydrophobicContact CG1-CZ 4.22Å
902	M	96.1	Very high	84.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.7	-166.8	71	-178.2	66.9	0	0	112.3	G786 T787 V789 L851 A900 M953 L954	G786-M902 CarbonylContact C-O 3.57Å; G786-M902 VanDerWaalsContact CA-O 3.24Å; G786-M902 WeakPolarHBondContact CA-O 3.38Å; T787-M902 PolarHBondContact N-O 3.01Å; T787-M902 WeakPolarHBondContact O-CG 3.29Å; T787-M902 PolarHBondContact O-N 2.94Å; T787-M902 VanDerWaalsContact OG1-CG 3.26Å; T787-M902 WeakPolarHBondContact OG1-CG 3.4Å; V789-M902 HydrophobicContact CB-CE 3.6Å; V789-M902 HydrophobicContact CG1-CE 4.42Å; V789-M902 HydrophobicContact CG2-CE 3.51Å; V789-M902 HydrophobicContact CG2-SD 3.87Å; L851-M902 HydrophobicContact CB-CB 4.17Å; L851-M902 HydrophobicContact CB-CG 4.09Å; L851-M902 HydrophobicContact CB-SD 3.41Å; L851-M902 WeakPolarHBondContact CB-SD 3.29Å; L851-M902 HydrophobicContact CD1-CB 3.86Å; L851-M902 HydrophobicContact CD1-CG 4.03Å; L851-M902 HydrophobicContact CD1-SD 4.43Å; A900-M902 HydrophobicContact CB-CE 3.68Å; M902-M953 WeakPolarHBondContact CA-O 3.35Å; M902-L954 HydrophobicContact CB-CD1 3.78Å; M902-L954 HydrophobicContact CE-CD1 4.19Å
903	T	94.9	Very high	86.7	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.9	178.9	174	0	0	0	0	111.5	S785 Q905 L906 G952 M953 F967	S785-T903 WeakPolarHBondContact O-CB 3.35Å; S785-T903 PolarHBondContact O-OG1 3.32Å; T903-Q905 PolarHBondContact OG1-N 3.44Å; T903-L906 HydrophobicContact CG2-CD1 3.54Å; T903-L906 HydrophobicContact CG2-CD2 4.05Å; T903-L906 HydrophobicContact CG2-CG 3.5Å; T903-L906 VanDerWaalsContact CG2-CG 3.5Å; T903-G952 CarbonylContact O-C 3.23Å; T903-G952 WeakPolarHBondContact O-CA 3.28Å; T903-M953 HydrophobicContact CG2-CB 4.24Å; T903-M953 PolarHBondContact N-O 2.91Å; T903-M953 PolarHBondContact O-N 3.27Å; T903-F967 HydrophobicContact CG2-CE2 3.9Å; T903-F967 HydrophobicContact CG2-CZ 3.57Å
904	T	93.1	Very high	88.7	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-2.9	167.9	56	0	0	0	0	113.9	D847 L851 Y943	D847-T904 HydrophobicContact CB-CG2 3.93Å; D847-T904 PolarHBondContact OD2-OG1 3.08Å; L851-T904 HydrophobicContact CD1-CG2 3.61Å; L851-T904 HydrophobicContact CD2-CG2 4.32Å; L851-T904 HydrophobicContact CG-CG2 3.99Å; T904-Y943 VanDerWaalsContact C-OH 3.22Å; T904-Y943 WeakPolarHBondContact CA-OH 3.39Å; T904-Y943 WeakPolarHBondContact CB-OH 3.35Å; T904-Y943 PolarHBondContact O-OH 3.47Å
905	Q	90.4	Very high	90.3	Very high	41 Å²	41	31.7 Å²	31.7	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	12.1	-161.3	-55.4	-58.7	-25.1	0	0	114.6	R662 D847 T903 R907 N988	R662-Q905 VanDerWaalsContact NH1-NE2 3.11Å; R662-Q905 VanDerWaalsContact NH2-NE2 3.19Å; D847-Q905 PolarHBondContact OD2-NE2 2.88Å; T903-Q905 PolarHBondContact OG1-N 3.44Å; Q905-R907 PolarHBondContact O-N 2.92Å; Q905-N988 PolarHBondContact O-ND2 3.22Å
906	L	93	Very high	91.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.5	-179.8	-65.2	172.6	0	0	0	110.2	T903 K950 L951 M953 L971 F989	T903-L906 HydrophobicContact CG2-CD1 3.54Å; T903-L906 HydrophobicContact CG2-CD2 4.05Å; T903-L906 HydrophobicContact CG2-CG 3.5Å; T903-L906 VanDerWaalsContact CG2-CG 3.5Å; L906-K950 VanDerWaalsContact O-CA 3.29Å; L906-K950 WeakPolarHBondContact O-CA 3.17Å; L906-L951 HydrophobicContact CB-CD1 3.91Å; L906-L951 HydrophobicContact CB-CG 4.43Å; L906-L951 WeakPolarHBondContact CB-O 3.22Å; L906-L951 HydrophobicContact CD1-CD1 3.66Å; L906-L951 HydrophobicContact CG-CD1 4.45Å; L906-L951 PolarHBondContact N-O 3.14Å; L906-L951 PolarHBondContact O-N 3.2Å; L906-M953 HydrophobicContact CD1-CB 3.47Å; L906-M953 VanDerWaalsContact CD1-CB 3.47Å; L906-L971 HydrophobicContact CD1-CD2 3.75Å; L906-L971 HydrophobicContact CD2-CD1 4.08Å; L906-L971 HydrophobicContact CD2-CD2 3.91Å; L906-L971 HydrophobicContact CG-CD2 4.47Å; L906-F989 HydrophobicContact CB-CD1 4.48Å; L906-F989 HydrophobicContact CB-CE1 3.73Å; L906-F989 HydrophobicContact CB-CZ 4.38Å; L906-F989 HydrophobicContact CD2-CD1 4.09Å; L906-F989 HydrophobicContact CD2-CE1 4.1Å; L906-F989 HydrophobicContact CG-CE1 4.38Å
907	R	92.1	Very high	92.1	Very high	84 Å²	84	35 Å²	35	32%	0.317	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.3	178.2	67.5	178.1	-174.4	-111.4	-8.3	111.1	D779 Q905 H949 K950 T987 N988	D779-R907 IonicContact OD1-NH2 2.61Å; D779-R907 IonicContact OD2-CZ 2.7Å; D779-R907 VanDerWaalsContact OD2-CZ 3.25Å; D779-R907 IonicContact OD2-NH1 3.58Å; D779-R907 PolarHBondContact OD2-NH1 3.4Å; D779-R907 VanDerWaalsContact OD2-NH1 3.09Å; D779-R907 IonicContact OD2-NH2 3.66Å; D779-R907 PolarHBondContact OD2-NH2 2.62Å; Q905-R907 PolarHBondContact O-N 2.92Å; R907-H949 VanDerWaalsContact CA-O 3.32Å; R907-H949 WeakPolarHBondContact CA-O 3.5Å; R907-K950 HydrophobicContact CB-CG 4.14Å; R907-T987 VanDerWaalsContact O-CA 3.3Å; R907-T987 WeakPolarHBondContact O-CA 3.45Å; R907-T987 PolarHBondContact O-OG1 3.36Å; R907-N988 HydrophobicContact CG-CB 4.21Å; R907-N988 PolarHBondContact N-OD1 3.44Å; R907-N988 PolarHBondContact O-N 3.47Å; R907-N988 PolarHBondContact O-OD1 3.25Å
908	H	93.6	Very high	92.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-152.3	122	173.1	-162.8	-55.8	0	0	0	109.9	N910 L911 H949 H975 I978 S979 Q984 E986 T987 F989	H908-N910 VanDerWaalsContact C-N 3.31Å; H908-N910 PolarHBondContact ND1-N 3.23Å; H908-N910 PolarHBondContact O-N 2.81Å; H908-L911 HydrophobicContact CB-CD1 3.76Å; H908-L911 HydrophobicContact CB-CG 3.91Å; H908-L911 WeakPolarHBondContact O-CB 3.39Å; H908-L911 PolarHBondContact O-N 2.93Å; H908-L911 VanDerWaalsContact O-N 3.16Å; H908-H949 PolarHBondContact N-O 3.34Å; H908-H975 AromaticContact CD2-ND1 3.68Å; H908-H975 AromaticContact NE2-CE1 3.59Å; H908-H975 AromaticContact NE2-ND1 2.91Å; H908-H975 PolarHBondContact NE2-ND1 2.87Å; H908-I978 HydrophobicContact CB-CD1 4.26Å; H908-S979 PolarHBondContact CE1-OG 3.13Å; H908-S979 VanDerWaalsContact CE1-OG 3.29Å; H908-S979 PolarHBondContact NE2-OG 3.02Å; H908-Q984 PolarHBondContact CE1-O 2.63Å; H908-E986 CarbonylContact C-O 3.51Å; H908-E986 WeakPolarHBondContact CA-O 3.08Å; H908-T987 VanDerWaalsContact CD2-CB 3.44Å; H908-T987 WeakPolarHBondContact CD2-CB 3.49Å; H908-T987 PolarHBondContact CD2-OG1 2.69Å; H908-T987 VanDerWaalsContact CD2-OG1 3.24Å; H908-F989 HydrophobicContact CB-CE1 4.09Å; H908-F989 HydrophobicContact CB-CZ 4.08Å
909	S	92.5	Very high	92.3	Very high	44 Å²	44	35.1 Å²	35.1	31%	0.308	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.7	-41.4	-175.9	61	0	0	0	0	112.7	L911 S912 G985 E986	S909-L911 PolarHBondContact O-N 3.5Å; S909-S912 WeakPolarHBondContact O-CB 3.43Å; S909-S912 PolarHBondContact O-N 2.76Å; S909-S912 VanDerWaalsContact O-N 3.14Å; S909-S912 PolarHBondContact O-OG 2.81Å; S909-G985 WeakPolarHBondContact OG-CA 3.5Å; S909-E986 PolarHBondContact N-O 2.84Å; S909-E986 PolarHBondContact OG-N 2.89Å
910	N	92.1	Very high	92.1	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.048	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-66.2	-19.5	-178.7	-59.6	-0.5	0	0	0	114.3	H908 S912 L913 I978 M983	H908-N910 VanDerWaalsContact C-N 3.31Å; H908-N910 PolarHBondContact ND1-N 3.23Å; H908-N910 PolarHBondContact O-N 2.81Å; N910-S912 PolarHBondContact O-N 3.47Å; N910-L913 WeakPolarHBondContact O-CB 3.41Å; N910-L913 PolarHBondContact O-N 3.37Å; N910-I978 HydrophobicContact CB-CG1 4.43Å; N910-I978 WeakPolarHBondContact CB-O 3.32Å; N910-I978 PolarHBondContact ND2-O 3.36Å; N910-M983 PolarHBondContact ND2-O 3.28Å
911	L	90.7	Very high	91.9	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-62.3	-23.9	173.9	-73.3	170	0	0	0	112.1	H908 S909 L913 V914 F919 R948 L951 I978 F989	H908-L911 HydrophobicContact CB-CD1 3.76Å; H908-L911 HydrophobicContact CB-CG 3.91Å; H908-L911 WeakPolarHBondContact O-CB 3.39Å; H908-L911 PolarHBondContact O-N 2.93Å; H908-L911 VanDerWaalsContact O-N 3.16Å; S909-L911 PolarHBondContact O-N 3.5Å; L911-L913 PolarHBondContact O-N 3.33Å; L911-V914 PolarHBondContact O-N 3.11Å; L911-V914 VanDerWaalsContact O-N 3.12Å; L911-V914 VanDerWaalsContact O-O 3.11Å; L911-F919 HydrophobicContact CD2-CD2 3.9Å; L911-F919 HydrophobicContact CD2-CE2 4.06Å; L911-R948 VanDerWaalsContact CB-O 3.24Å; L911-R948 WeakPolarHBondContact CB-O 3.35Å; L911-L951 HydrophobicContact CD1-CD2 3.59Å; L911-L951 HydrophobicContact CD1-CG 4.17Å; L911-L951 HydrophobicContact CD2-CD2 4.38Å; L911-I978 HydrophobicContact CD2-CD1 3.7Å; L911-I978 HydrophobicContact CD2-CG2 4.48Å; L911-I978 HydrophobicContact CG-CD1 3.79Å; L911-F989 HydrophobicContact CD1-CZ 4.28Å
912	S	90.1	Very high	91.6	Very high	50 Å²	50	42.8 Å²	42.8	35%	0.35	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-60.6	-23.2	173.1	65.4	0	0	0	0	113.6	S909 N910 K947 R948	S909-S912 WeakPolarHBondContact O-CB 3.43Å; S909-S912 PolarHBondContact O-N 2.76Å; S909-S912 VanDerWaalsContact O-N 3.14Å; S909-S912 PolarHBondContact O-OG 2.81Å; N910-S912 PolarHBondContact O-N 3.47Å; S912-K947 WeakPolarHBondContact CA-O 3.38Å; S912-K947 WeakPolarHBondContact CB-O 3.44Å; S912-R948 PolarHBondContact O-NH2 3.5Å
913	L	89.2	Confident	91.6	Very high	111 Å²	111	42.9 Å²	42.9	58%	0.581	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-85.5	-17.5	179.4	-54.2	176.6	0	0	0	112.6	N910 L911 M983	N910-L913 WeakPolarHBondContact O-CB 3.41Å; N910-L913 PolarHBondContact O-N 3.37Å; L911-L913 PolarHBondContact O-N 3.33Å; L913-M983 HydrophobicContact CD1-CE 3.89Å; L913-M983 HydrophobicContact CD1-SD 4.26Å
914	V	88.2	Confident	91.5	Very high	28 Å²	28	52.6 Å²	52.6	17%	0.17	25%	0.249	C	C	.	.	S	Bend	trans	-106.6	130.2	-173.1	-173	0	0	0	0	109.9	L911 V918 F919 R948 I978	L911-V914 PolarHBondContact O-N 3.11Å; L911-V914 VanDerWaalsContact O-N 3.12Å; L911-V914 VanDerWaalsContact O-O 3.11Å; V914-V918 HydrophobicContact CG1-CB 3.96Å; V914-V918 HydrophobicContact CG1-CG1 4.03Å; V914-F919 HydrophobicContact CG1-CB 3.91Å; V914-R948 PolarHBondContact O-NH1 3.44Å; V914-I978 HydrophobicContact CG2-CG2 4.31Å
915	F	89.1	Confident	91.4	Very high	107 Å²	107	56.2 Å²	56.2	47%	0.469	28%	0.279	S	S	.	.			trans	-74.4	149.2	172.8	-69.9	-80.5	0	0	0	110.8	Y917 V918 F919 R948	F915-Y917 VanDerWaalsContact C-N 3.32Å; F915-Y917 HydrophobicContact CB-CD1 3.66Å; F915-Y917 HydrophobicContact CB-CE1 3.42Å; F915-Y917 VanDerWaalsContact CB-CE1 3.42Å; F915-Y917 HydrophobicContact CD2-CE1 4.42Å; F915-Y917 AromaticContact CG-CE1 4Å; F915-Y917 HydrophobicContact CG-CE1 4Å; F915-Y917 PolarHBondContact O-N 3.45Å; F915-V918 HydrophobicContact CB-CG2 4.25Å; F915-V918 PolarHBondContact O-N 2.92Å; F915-F919 PolarHBondContact O-N 2.89Å; F915-R948 VanDerWaalsContact CG-NH1 3.32Å
916	H	90.5	Very high	91.5	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.051	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-42.1	-174.6	-65.8	121.6	0	0	0	112.5	E502 V918 F919 L920 L942 E944	E502-H916 WeakPolarHBondContact OE1-CB 3.31Å; H916-V918 VanDerWaalsContact C-N 3.32Å; H916-V918 PolarHBondContact O-N 3.02Å; H916-F919 WeakPolarHBondContact O-CB 3.32Å; H916-F919 PolarHBondContact O-N 2.82Å; H916-L920 WeakPolarHBondContact O-CB 3.41Å; H916-L920 VanDerWaalsContact O-CG 3.27Å; H916-L920 WeakPolarHBondContact O-CG 3.29Å; H916-L920 PolarHBondContact O-N 2.98Å; H916-L942 HydrophobicContact CB-CD1 3.9Å; H916-E944 PolarHBondContact CE1-O 3.26Å
917	Y	88.8	Confident	91.5	Very high	126 Å²	126	60.9 Å²	60.9	49%	0.494	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-39.3	175.8	77.2	-88.6	0	0	0	113	E502 F915 L920 Q921	E502-Y917 WeakPolarHBondContact OE1-CB 3.36Å; E502-Y917 PolarHBondContact OE1-N 3.32Å; F915-Y917 VanDerWaalsContact C-N 3.32Å; F915-Y917 HydrophobicContact CB-CD1 3.66Å; F915-Y917 HydrophobicContact CB-CE1 3.42Å; F915-Y917 VanDerWaalsContact CB-CE1 3.42Å; F915-Y917 HydrophobicContact CD2-CE1 4.42Å; F915-Y917 AromaticContact CG-CE1 4Å; F915-Y917 HydrophobicContact CG-CE1 4Å; F915-Y917 PolarHBondContact O-N 3.45Å; Y917-L920 PolarHBondContact O-N 2.91Å; Y917-Q921 VanDerWaalsContact O-CG 3.29Å; Y917-Q921 WeakPolarHBondContact O-CG 3.4Å; Y917-Q921 PolarHBondContact O-N 2.91Å
918	V	90.8	Very high	91.6	Very high	44 Å²	44	57.3 Å²	57.3	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-46	176.5	-178.5	0	0	0	0	109.7	V914 F915 H916 L920 Q921 I922	V914-V918 HydrophobicContact CG1-CB 3.96Å; V914-V918 HydrophobicContact CG1-CG1 4.03Å; F915-V918 HydrophobicContact CB-CG2 4.25Å; F915-V918 PolarHBondContact O-N 2.92Å; H916-V918 VanDerWaalsContact C-N 3.32Å; H916-V918 PolarHBondContact O-N 3.02Å; V918-L920 VanDerWaalsContact C-N 3.33Å; V918-L920 PolarHBondContact O-N 3.22Å; V918-Q921 WeakPolarHBondContact O-CB 3.42Å; V918-Q921 PolarHBondContact O-N 3.22Å; V918-Q921 VanDerWaalsContact O-N 3.14Å; V918-I922 HydrophobicContact CG1-CD1 4.08Å; V918-I922 WeakPolarHBondContact O-CG1 3.21Å; V918-I922 PolarHBondContact O-N 2.86Å
919	F	92.9	Very high	91.6	Very high	5 Å²	5	59.1 Å²	59.1	2%	0.022	33%	0.326	C	S	.	.	H	α-helix	trans	-55.7	-47.9	175.8	167.6	-102	0	0	0	111.5	L911 V914 F915 H916 Q921 I922 C923 F940 L951 I974	L911-F919 HydrophobicContact CD2-CD2 3.9Å; L911-F919 HydrophobicContact CD2-CE2 4.06Å; V914-F919 HydrophobicContact CG1-CB 3.91Å; F915-F919 PolarHBondContact O-N 2.89Å; H916-F919 WeakPolarHBondContact O-CB 3.32Å; H916-F919 PolarHBondContact O-N 2.82Å; F919-Q921 VanDerWaalsContact C-N 3.33Å; F919-Q921 PolarHBondContact O-N 3.37Å; F919-I922 PolarHBondContact O-N 2.56Å; F919-C923 PolarHBondContact O-N 3.33Å; F919-C923 PolarHBondContact O-SG 2.84Å; F919-C923 VanDerWaalsContact O-SG 3.36Å; F919-F940 HydrophobicContact CE1-CB 4.49Å; F919-F940 HydrophobicContact CE1-CD1 4.12Å; F919-F940 AromaticContact CE1-CD2 3.92Å; F919-F940 HydrophobicContact CE1-CD2 3.92Å; F919-F940 HydrophobicContact CE1-CE1 4.32Å; F919-F940 HydrophobicContact CE1-CE2 4.14Å; F919-F940 AromaticContact CE1-CG 3.91Å; F919-F940 HydrophobicContact CE1-CG 3.91Å; F919-F940 HydrophobicContact CE1-CZ 4.34Å; F919-F940 HydrophobicContact CZ-CD1 4.01Å; F919-F940 HydrophobicContact CZ-CD2 4.32Å; F919-F940 AromaticContact CZ-CE1 3.83Å; F919-F940 HydrophobicContact CZ-CE1 3.83Å; F919-F940 HydrophobicContact CZ-CE2 4.16Å; F919-F940 HydrophobicContact CZ-CG 4.25Å; F919-F940 AromaticContact CZ-CZ 3.91Å; F919-F940 HydrophobicContact CZ-CZ 3.91Å; F919-L951 HydrophobicContact CE1-CD2 4.12Å; F919-L951 HydrophobicContact CE2-CD2 4.2Å; F919-L951 HydrophobicContact CZ-CD2 3.71Å; F919-I974 HydrophobicContact CE2-CD1 4.26Å; F919-I974 HydrophobicContact CE2-CG1 4.35Å; F919-I974 HydrophobicContact CE2-CG2 3.81Å; F919-I974 HydrophobicContact CZ-CD1 4.26Å
920	L	92.6	Very high	91.6	Very high	50 Å²	50	58.9 Å²	58.9	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-33.4	177.9	-68.3	171.4	0	0	0	112.5	Y506 H916 Y917 V918 R924 F940 L942	Y506-L920 HydrophobicContact CD2-CD1 3.93Å; Y506-L920 HydrophobicContact CE2-CD1 3.87Å; Y506-L920 HydrophobicContact CE2-CD2 4.28Å; H916-L920 WeakPolarHBondContact O-CB 3.41Å; H916-L920 VanDerWaalsContact O-CG 3.27Å; H916-L920 WeakPolarHBondContact O-CG 3.29Å; H916-L920 PolarHBondContact O-N 2.98Å; Y917-L920 PolarHBondContact O-N 2.91Å; V918-L920 VanDerWaalsContact C-N 3.33Å; V918-L920 PolarHBondContact O-N 3.22Å; L920-R924 WeakPolarHBondContact O-CB 3.3Å; L920-R924 PolarHBondContact O-N 3.19Å; L920-F940 HydrophobicContact CD2-CD2 4.09Å; L920-L942 HydrophobicContact CD1-CD1 4.47Å
921	Q	91.4	Very high	91.4	Very high	123 Å²	123	61.7 Å²	61.7	58%	0.575	33%	0.333	S	S	*	.	H	α-helix	trans	-66.9	-42.4	173.3	-76.9	174.9	-14.3	0	0	112.3	Y917 V918 F919 R924 A925	Y917-Q921 VanDerWaalsContact O-CG 3.29Å; Y917-Q921 WeakPolarHBondContact O-CG 3.4Å; Y917-Q921 PolarHBondContact O-N 2.91Å; V918-Q921 WeakPolarHBondContact O-CB 3.42Å; V918-Q921 PolarHBondContact O-N 3.22Å; V918-Q921 VanDerWaalsContact O-N 3.14Å; F919-Q921 VanDerWaalsContact C-N 3.33Å; F919-Q921 PolarHBondContact O-N 3.37Å; Q921-R924 PolarHBondContact O-N 2.76Å; Q921-A925 PolarHBondContact O-N 2.71Å
922	I	92.1	Very high	91.2	Very high	42 Å²	42	63.2 Å²	63.2	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-51.2	173.7	-66.9	165.5	0	0	0	109.4	V918 F919 R924 A925 H926 E977	V918-I922 HydrophobicContact CG1-CD1 4.08Å; V918-I922 WeakPolarHBondContact O-CG1 3.21Å; V918-I922 PolarHBondContact O-N 2.86Å; F919-I922 PolarHBondContact O-N 2.56Å; I922-R924 VanDerWaalsContact C-N 3.3Å; I922-R924 PolarHBondContact O-N 2.75Å; I922-A925 WeakPolarHBondContact O-CB 3.38Å; I922-A925 PolarHBondContact O-N 3.34Å; I922-A925 VanDerWaalsContact O-N 3.12Å; I922-H926 PolarHBondContact O-CD2 2.75Å; I922-H926 VanDerWaalsContact O-CD2 3.27Å; I922-H926 PolarHBondContact O-N 3.08Å; I922-E977 HydrophobicContact CG2-CB 3.87Å; I922-E977 HydrophobicContact CG2-CG 3.84Å
923	C	94.7	Very high	90.8	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.014	35%	0.354	C	S	.	.	H	α-helix	trans	-54.7	-47.3	177	-69.6	0	0	0	0	111.7	F919 A925 H926 G927 I928 F940	F919-C923 PolarHBondContact O-N 3.33Å; F919-C923 PolarHBondContact O-SG 2.84Å; F919-C923 VanDerWaalsContact O-SG 3.36Å; C923-A925 VanDerWaalsContact C-N 3.34Å; C923-A925 PolarHBondContact O-N 3.41Å; C923-H926 PolarHBondContact O-N 3.4Å; C923-G927 PolarHBondContact O-N 3.17Å; C923-I928 CarbonylContact C-O 3.53Å; C923-I928 HydrophobicContact CB-CB 3.95Å; C923-I928 HydrophobicContact CB-CG2 4.29Å; C923-I928 WeakPolarHBondContact O-CA 3.48Å; C923-I928 WeakPolarHBondContact O-CB 3.26Å; C923-I928 PolarHBondContact O-N 3.38Å; C923-F940 HydrophobicContact CB-CE2 4.09Å
924	R	93	Very high	90.5	Very high	210 Å²	210	65.7 Å²	65.7	79%	0.792	35%	0.347	S	S	*	.	H	α-helix	trans	-61	-39.8	178.2	-172.2	178.1	-178.8	-179	0.8	112.7	L920 Q921 I922 H926 G927	L920-R924 WeakPolarHBondContact O-CB 3.3Å; L920-R924 PolarHBondContact O-N 3.19Å; Q921-R924 PolarHBondContact O-N 2.76Å; I922-R924 VanDerWaalsContact C-N 3.3Å; I922-R924 PolarHBondContact O-N 2.75Å; R924-H926 VanDerWaalsContact C-N 3.25Å; R924-H926 PolarHBondContact O-N 2.74Å; R924-G927 PolarHBondContact O-N 2.84Å; R924-G927 VanDerWaalsContact O-N 3.13Å
925	A	91.9	Very high	90.6	Very high	85 Å²	85	65.1 Å²	65.1	70%	0.702	34%	0.342	S	S	*	.	H	α-helix	trans	-63.7	-31.2	178.4	0	0	0	0	0	112.7	Q921 I922 C923 G927	Q921-A925 PolarHBondContact O-N 2.71Å; I922-A925 WeakPolarHBondContact O-CB 3.38Å; I922-A925 PolarHBondContact O-N 3.34Å; I922-A925 VanDerWaalsContact O-N 3.12Å; C923-A925 VanDerWaalsContact C-N 3.34Å; C923-A925 PolarHBondContact O-N 3.41Å; A925-G927 VanDerWaalsContact C-N 3.34Å
926	H	92.8	Very high	90.7	Very high	72 Å²	72	62.8 Å²	62.8	33%	0.333	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10	175.9	-69.4	-75.4	0	0	0	114.2	I922 C923 R924 I928 I973 E977	I922-H926 PolarHBondContact O-CD2 2.75Å; I922-H926 VanDerWaalsContact O-CD2 3.27Å; I922-H926 PolarHBondContact O-N 3.08Å; C923-H926 PolarHBondContact O-N 3.4Å; R924-H926 VanDerWaalsContact C-N 3.25Å; R924-H926 PolarHBondContact O-N 2.74Å; H926-I928 HydrophobicContact CB-CD1 4.32Å; H926-I928 HydrophobicContact CB-CG1 4.21Å; H926-I928 PolarHBondContact O-N 3.09Å; H926-I973 HydrophobicContact CB-CG2 3.89Å; H926-E977 IonicContact CE1-OE1 3.13Å; H926-E977 VanDerWaalsContact NE2-CD 3.33Å; H926-E977 IonicContact NE2-OE1 2.94Å; H926-E977 PolarHBondContact NE2-OE1 2.94Å; H926-E977 IonicContact NE2-OE2 3.15Å
927	G	91.6	Very high	90.8	Very high	69 Å²	69	63.1 Å²	63.1	71%	0.711	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	17.9	-177.9	0	0	0	0	0	113.8	C923 R924 A925 G929	C923-G927 PolarHBondContact O-N 3.17Å; R924-G927 PolarHBondContact O-N 2.84Å; R924-G927 VanDerWaalsContact O-N 3.13Å; A925-G927 VanDerWaalsContact C-N 3.34Å; G927-G929 PolarHBondContact O-N 3.4Å
928	I	95.4	Very high	91.2	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.041	32%	0.317	C	S	.	.			trans	-86.1	103.4	173.8	-52.2	175.5	0	0	0	107.6	C923 H926 T938 F940 N970 I973 I974	C923-I928 CarbonylContact C-O 3.53Å; C923-I928 HydrophobicContact CB-CB 3.95Å; C923-I928 HydrophobicContact CB-CG2 4.29Å; C923-I928 WeakPolarHBondContact O-CA 3.48Å; C923-I928 WeakPolarHBondContact O-CB 3.26Å; C923-I928 PolarHBondContact O-N 3.38Å; H926-I928 HydrophobicContact CB-CD1 4.32Å; H926-I928 HydrophobicContact CB-CG1 4.21Å; H926-I928 PolarHBondContact O-N 3.09Å; I928-T938 HydrophobicContact CG2-CG2 4.23Å; I928-F940 HydrophobicContact CG2-CE2 4.05Å; I928-F940 HydrophobicContact CG2-CZ 3.88Å; I928-N970 HydrophobicContact CD1-CB 4.15Å; I928-N970 HydrophobicContact CG2-CB 4.32Å; I928-I973 HydrophobicContact CD1-CB 4.26Å; I928-I973 HydrophobicContact CD1-CG2 4.1Å; I928-I974 HydrophobicContact CD1-CD1 4.48Å; I928-I974 HydrophobicContact CD1-CG1 4.14Å
929	G	92.7	Very high	91.4	Very high	39 Å²	39	55.9 Å²	55.9	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	-167.3	177.4	178.1	0	0	0	0	0	111.5	G927 G937 T938	G927-G929 PolarHBondContact O-N 3.4Å; G929-G937 CarbonylContact O-C 3.53Å; G929-G937 WeakPolarHBondContact O-CA 3.28Å; G929-T938 CarbonylContact C-O 3.6Å; G929-T938 VanDerWaalsContact C-O 3.23Å; G929-T938 PolarHBondContact O-N 2.89Å
930	Y	92.3	Very high	91.5	Very high	39 Å²	39	55.9 Å²	55.9	15%	0.153	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	175	-176	-104	0	0	0	109.5	L858 L932 R935 Q936 T938 V939 I956	L858-Y930 HydrophobicContact CB-CE1 4.42Å; L858-Y930 PolarHBondContact O-OH 2.84Å; Y930-L932 HydrophobicContact CD1-CD2 4.16Å; Y930-L932 HydrophobicContact CD1-CG 4.3Å; Y930-L932 HydrophobicContact CE1-CD2 3.9Å; Y930-L932 HydrophobicContact CE1-CG 4.39Å; Y930-R935 VanDerWaalsContact OH-C 3.3Å; Y930-R935 VanDerWaalsContact OH-CA 3.23Å; Y930-R935 WeakPolarHBondContact OH-CA 3.19Å; Y930-R935 WeakPolarHBondContact OH-CB 3.24Å; Y930-R935 PolarHBondContact OH-O 3.48Å; Y930-Q936 WeakPolarHBondContact CD2-O 3.33Å; Y930-T938 PolarHBondContact N-O 2.95Å; Y930-V939 HydrophobicContact CD2-CG2 3.92Å; Y930-V939 HydrophobicContact CG-CG2 3.75Å; Y930-I956 HydrophobicContact CE2-CD1 4.17Å
931	D	89.5	Confident	91.6	Very high	68 Å²	68	53.7 Å²	53.7	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.8	173.3	-167.4	-19.4	0	0	0	109.5	E933 R935 Q936	D931-E933 PolarHBondContact OD1-N 3.34Å; D931-R935 CarbonylContact O-C 3.6Å; D931-R935 WeakPolarHBondContact O-CA 3.27Å; D931-R935 PolarHBondContact O-N 2.75Å; D931-Q936 PolarHBondContact N-O 3.12Å; D931-Q936 PolarHBondContact O-N 3.39Å
932	L	85.2	Confident	91.7	Very high	39 Å²	39	48 Å²	48	20%	0.204	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-28.7	-179.9	-76.6	161.3	0	0	0	112.9	L513 V517 L522 Y930	L513-L932 HydrophobicContact CB-CD2 3.98Å; L513-L932 HydrophobicContact CD1-CD1 4.35Å; L513-L932 HydrophobicContact CD1-CD2 4.07Å; L513-L932 HydrophobicContact CD2-CD1 3.66Å; L513-L932 HydrophobicContact CD2-CD2 4.27Å; L513-L932 HydrophobicContact CG-CD1 4.47Å; L513-L932 HydrophobicContact CG-CD2 4.29Å; V517-L932 HydrophobicContact CG2-CD2 3.95Å; L522-L932 HydrophobicContact CD2-CB 3.81Å; L522-L932 HydrophobicContact CD2-CD1 4.34Å; Y930-L932 HydrophobicContact CD1-CD2 4.16Å; Y930-L932 HydrophobicContact CD1-CG 4.3Å; Y930-L932 HydrophobicContact CE1-CD2 3.9Å; Y930-L932 HydrophobicContact CE1-CG 4.39Å
933	E	82.3	Confident	91.7	Very high	131 Å²	131	46.1 Å²	46.1	61%	0.612	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-52	-177.8	-64.1	-170.2	165.7	0	0	109.9	L522 D931 R935	L522-E933 HydrophobicContact CD1-CG 4.26Å; L522-E933 WeakPolarHBondContact CD1-OE1 3.37Å; L522-E933 HydrophobicContact CD2-CG 4.2Å; D931-E933 PolarHBondContact OD1-N 3.34Å; E933-R935 VanDerWaalsContact C-N 3.33Å
934	D	83.3	Confident	91.4	Very high	81 Å²	81	46.5 Å²	46.5	43%	0.433	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.5	179.4	-75.1	-22.3	0	0	0	113.8	Q936	D934-Q936 VanDerWaalsContact C-N 3.26Å; D934-Q936 HydrophobicContact CB-CG 3.62Å; D934-Q936 PolarHBondContact O-N 2.94Å; D934-Q936 PolarHBondContact OD2-NE2 2.86Å
935	R	88.9	Confident	91	Very high	17 Å²	17	38.9 Å²	38.9	6%	0.064	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	38.5	-176.7	-54.5	-176.2	-173.1	170.2	8	113.1	V517 T859 V872 S873 Y930 D931 E933	V517-R935 PolarHBondContact O-NH2 3.26Å; T859-R935 WeakPolarHBondContact O-CD 3.36Å; T859-R935 PolarHBondContact O-NH1 2.89Å; V872-R935 HydrophobicContact CG1-CB 4.4Å; S873-R935 PolarHBondContact O-NH1 2.91Å; Y930-R935 VanDerWaalsContact OH-C 3.3Å; Y930-R935 VanDerWaalsContact OH-CA 3.23Å; Y930-R935 WeakPolarHBondContact OH-CA 3.19Å; Y930-R935 WeakPolarHBondContact OH-CB 3.24Å; Y930-R935 PolarHBondContact OH-O 3.48Å; D931-R935 CarbonylContact O-C 3.6Å; D931-R935 WeakPolarHBondContact O-CA 3.27Å; D931-R935 PolarHBondContact O-N 2.75Å; E933-R935 VanDerWaalsContact C-N 3.33Å
936	Q	91.4	Very high	90.7	Very high	57 Å²	57	41.2 Å²	41.2	27%	0.266	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.3	-176.6	68.4	-174.7	-14.7	0	0	111.3	Y930 D931 D934 I956	Y930-Q936 WeakPolarHBondContact CD2-O 3.33Å; D931-Q936 PolarHBondContact N-O 3.12Å; D931-Q936 PolarHBondContact O-N 3.39Å; D934-Q936 VanDerWaalsContact C-N 3.26Å; D934-Q936 HydrophobicContact CB-CG 3.62Å; D934-Q936 PolarHBondContact O-N 2.94Å; D934-Q936 PolarHBondContact OD2-NE2 2.86Å; Q936-I956 WeakPolarHBondContact CB-O 3.45Å
937	G	93.8	Very high	90.5	Very high	18 Å²	18	42.1 Å²	42.1	19%	0.186	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112	-160.3	-179.1	0	0	0	0	0	112.9	G929 T955 I956	G929-G937 CarbonylContact O-C 3.53Å; G929-G937 WeakPolarHBondContact O-CA 3.28Å; G937-T955 CarbonylContact O-C 3.22Å; G937-T955 WeakPolarHBondContact O-CA 3.17Å; G937-I956 PolarHBondContact N-O 2.92Å; G937-I956 PolarHBondContact O-N 3.43Å
938	T	96.4	Very high	90.4	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.1	-167.6	-57.7	0	0	0	0	113.2	I928 G929 Y930 F940 M953 L954 T955 N970	I928-T938 HydrophobicContact CG2-CG2 4.23Å; G929-T938 CarbonylContact C-O 3.6Å; G929-T938 VanDerWaalsContact C-O 3.23Å; G929-T938 PolarHBondContact O-N 2.89Å; Y930-T938 PolarHBondContact N-O 2.95Å; T938-F940 HydrophobicContact CG2-CE1 4.31Å; T938-F940 HydrophobicContact CG2-CE2 4.4Å; T938-F940 HydrophobicContact CG2-CZ 4.06Å; T938-M953 HydrophobicContact CG2-CG 3.52Å; T938-M953 HydrophobicContact CG2-SD 3.85Å; T938-L954 CarbonylContact C-O 3.55Å; T938-L954 VanDerWaalsContact CA-O 3.26Å; T938-L954 WeakPolarHBondContact CA-O 3.29Å; T938-T955 PolarHBondContact OG1-OG1 2.98Å; T938-T955 VanDerWaalsContact OG1-OG1 3.13Å; T938-N970 PolarHBondContact OG1-ND2 3.02Å
939	V	95.6	Very high	90.2	Very high	13 Å²	13	42 Å²	42	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.4	172.7	179.3	0	0	0	0	109.6	I510 L858 Y930 L954	I510-V939 HydrophobicContact CD1-CG1 4.09Å; L858-V939 HydrophobicContact CD1-CB 4.24Å; L858-V939 HydrophobicContact CD1-CG1 4.37Å; L858-V939 HydrophobicContact CD1-CG2 3.73Å; Y930-V939 HydrophobicContact CD2-CG2 3.92Å; Y930-V939 HydrophobicContact CG-CG2 3.75Å; V939-L954 PolarHBondContact N-O 3.09Å; V939-L954 PolarHBondContact O-N 3.49Å
940	F	95.8	Very high	90.2	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	152.1	177.6	-63.1	-74.7	0	0	0	111.6	Y506 F919 L920 C923 I928 T938 L942 L951 G952 M953 I974	Y506-F940 PolarHBondContact OH-O 3.02Å; F919-F940 HydrophobicContact CE1-CB 4.49Å; F919-F940 HydrophobicContact CE1-CD1 4.12Å; F919-F940 AromaticContact CE1-CD2 3.92Å; F919-F940 HydrophobicContact CE1-CD2 3.92Å; F919-F940 HydrophobicContact CE1-CE1 4.32Å; F919-F940 HydrophobicContact CE1-CE2 4.14Å; F919-F940 AromaticContact CE1-CG 3.91Å; F919-F940 HydrophobicContact CE1-CG 3.91Å; F919-F940 HydrophobicContact CE1-CZ 4.34Å; F919-F940 HydrophobicContact CZ-CD1 4.01Å; F919-F940 HydrophobicContact CZ-CD2 4.32Å; F919-F940 AromaticContact CZ-CE1 3.83Å; F919-F940 HydrophobicContact CZ-CE1 3.83Å; F919-F940 HydrophobicContact CZ-CE2 4.16Å; F919-F940 HydrophobicContact CZ-CG 4.25Å; F919-F940 AromaticContact CZ-CZ 3.91Å; F919-F940 HydrophobicContact CZ-CZ 3.91Å; L920-F940 HydrophobicContact CD2-CD2 4.09Å; C923-F940 HydrophobicContact CB-CE2 4.09Å; I928-F940 HydrophobicContact CG2-CE2 4.05Å; I928-F940 HydrophobicContact CG2-CZ 3.88Å; T938-F940 HydrophobicContact CG2-CE1 4.31Å; T938-F940 HydrophobicContact CG2-CE2 4.4Å; T938-F940 HydrophobicContact CG2-CZ 4.06Å; F940-L942 HydrophobicContact CB-CD2 4.31Å; F940-L951 HydrophobicContact CD1-CD1 4.05Å; F940-G952 CarbonylContact C-O 3.59Å; F940-G952 WeakPolarHBondContact CA-O 3.45Å; F940-M953 HydrophobicContact CD1-CB 4.23Å; F940-M953 HydrophobicContact CD1-CG 4.03Å; F940-M953 HydrophobicContact CD1-SD 4.38Å; F940-M953 HydrophobicContact CE1-CB 4.33Å; F940-M953 HydrophobicContact CE1-CG 3.78Å; F940-M953 HydrophobicContact CE1-SD 3.56Å; F940-M953 VanDerWaalsContact CE1-SD 3.56Å; F940-M953 HydrophobicContact CZ-SD 4.24Å; F940-I974 HydrophobicContact CE1-CD1 3.88Å; F940-I974 HydrophobicContact CZ-CD1 3.75Å
941	I	94.3	Very high	90.3	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.4	174.4	-55.3	88.1	0	0	0	107.3	L478 Y507 L851 L854 Y943 L951 G952 L954	L478-I941 HydrophobicContact CB-CG2 4.37Å; Y507-I941 WeakPolarHBondContact OH-CG2 3.4Å; L851-I941 HydrophobicContact CD2-CD1 3.55Å; L851-I941 HydrophobicContact CD2-CG1 3.87Å; L854-I941 HydrophobicContact CD2-CD1 4.4Å; L854-I941 HydrophobicContact CD2-CG1 4.04Å; I941-Y943 HydrophobicContact CB-CE1 4.15Å; I941-Y943 HydrophobicContact CG2-CD1 4.03Å; I941-Y943 HydrophobicContact CG2-CE1 3.5Å; I941-L951 CarbonylContact O-C 3.53Å; I941-L951 WeakPolarHBondContact O-CA 3.21Å; I941-G952 PolarHBondContact N-O 2.87Å; I941-G952 PolarHBondContact O-N 2.91Å; I941-L954 HydrophobicContact CD1-CB 4.33Å
942	L	93.4	Very high	90.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.7	-173.1	-55.7	-179.8	0	0	0	109.8	L503 Y506 Y507 H916 L920 F940 L951	L503-L942 HydrophobicContact CD2-CB 3.52Å; L503-L942 HydrophobicContact CD2-CD1 4.1Å; L503-L942 HydrophobicContact CD2-CG 4.49Å; Y506-L942 HydrophobicContact CD1-CD1 4.13Å; Y506-L942 HydrophobicContact CD1-CG 4.47Å; Y506-L942 HydrophobicContact CE1-CD1 4.1Å; Y506-L942 HydrophobicContact CE1-CG 4.13Å; Y506-L942 HydrophobicContact CG-CD1 4.37Å; Y507-L942 PolarHBondContact OH-N 2.61Å; Y507-L942 VanDerWaalsContact OH-N 3.11Å; Y507-L942 PolarHBondContact OH-O 3.41Å; H916-L942 HydrophobicContact CB-CD1 3.9Å; L920-L942 HydrophobicContact CD1-CD1 4.47Å; F940-L942 HydrophobicContact CB-CD2 4.31Å; L942-L951 HydrophobicContact CD2-CB 4.35Å
943	Y	91.3	Very high	91.1	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.012	17%	0.17	C	C	.	.			trans	-85.5	-38.9	-167.7	-52.6	-52.8	0	0	0	115	T472 N475 T476 L478 T904 I941 K950 L951 G952	T472-Y943 HydrophobicContact CG2-CD2 4.41Å; N475-Y943 PolarHBondContact ND2-O 3.26Å; T476-Y943 HydrophobicContact CG2-CD1 4.47Å; T476-Y943 HydrophobicContact CG2-CE1 4.17Å; T476-Y943 HydrophobicContact CG2-CE2 4.41Å; L478-Y943 HydrophobicContact CD1-CD1 4.49Å; T904-Y943 VanDerWaalsContact C-OH 3.22Å; T904-Y943 WeakPolarHBondContact CA-OH 3.39Å; T904-Y943 WeakPolarHBondContact CB-OH 3.35Å; T904-Y943 PolarHBondContact O-OH 3.47Å; I941-Y943 HydrophobicContact CB-CE1 4.15Å; I941-Y943 HydrophobicContact CG2-CD1 4.03Å; I941-Y943 HydrophobicContact CG2-CE1 3.5Å; Y943-K950 HydrophobicContact CD2-CB 4.12Å; Y943-K950 HydrophobicContact CE2-CB 4.34Å; Y943-L951 VanDerWaalsContact CE2-C 3.42Å; Y943-G952 WeakPolarHBondContact OH-CA 3.34Å; Y943-G952 PolarHBondContact OH-N 3.36Å
944	E	88.3	Confident	91.8	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.047	14%	0.141	C	C	.	.			trans	-156.4	152.5	-175.7	59.8	151.1	132.5	0	0	111.6	T472 H916 K947	T472-E944 HydrophobicContact CG2-CG 4.09Å; T472-E944 PolarHBondContact OG1-OE1 2.68Å; H916-E944 PolarHBondContact CE1-O 3.26Å; E944-K947 WeakPolarHBondContact OE1-CD 3.39Å; E944-K947 PolarHBondContact OE2-N 3.39Å
945	H	85.2	Confident	92.5	Very high	50 Å²	50	25.1 Å²	25.1	23%	0.231	12%	0.121	C	C	.	.	S	Bend	trans	-90.6	-16.6	-175.1	66.6	-83.4	0	0	0	114.4	H498 N500 L503 R948	H498-H945 PolarHBondContact O-CE1 2.93Å; H498-H945 PolarHBondContact O-ND1 2.82Å; N500-H945 HydrophobicContact CB-CB 4.33Å; L503-H945 HydrophobicContact CD1-CB 3.91Å; H945-R948 VanDerWaalsContact O-CD 3.31Å; H945-R948 WeakPolarHBondContact O-CD 3.41Å; H945-R948 WeakPolarHBondContact O-CG 3.36Å; H945-R948 PolarHBondContact O-NE 3.21Å; H945-R948 VanDerWaalsContact O-NE 3.16Å
946	M	85.7	Confident	92.8	Very high	134 Å²	134	24.6 Å²	24.6	66%	0.66	12%	0.119	S	C	*	.	S	Bend	trans	-83.9	-61.5	-173.3	-66.2	-62.5	-71.9	0	0	111.5
947	K	87.4	Confident	92.9	Very high	92 Å²	92	22.1 Å²	22.1	40%	0.4	11%	0.109	S	C	.	.	S	Bend	trans	-82.3	-35.1	-173.9	-59.3	-179.2	177.6	167.7	0	114.1	D469 S912 E944 H949	D469-K947 IonicContact OD1-NZ 3.14Å; D469-K947 PolarHBondContact OD1-NZ 2.79Å; S912-K947 WeakPolarHBondContact CA-O 3.38Å; S912-K947 WeakPolarHBondContact CB-O 3.44Å; E944-K947 WeakPolarHBondContact OE1-CD 3.39Å; E944-K947 PolarHBondContact OE2-N 3.39Å; K947-H949 WeakPolarHBondContact CB-ND1 3.33Å; K947-H949 PolarHBondContact O-N 3.06Å
948	R	90.1	Very high	92.8	Very high	37 Å²	37	25.2 Å²	25.2	14%	0.14	12%	0.119	C	C	.	.			trans	53.1	0.2	174.5	-63.7	174.8	-80.1	157.6	-7.3	118	L911 S912 V914 F915 H945 K950	L911-R948 VanDerWaalsContact CB-O 3.24Å; L911-R948 WeakPolarHBondContact CB-O 3.35Å; S912-R948 PolarHBondContact O-NH2 3.5Å; V914-R948 PolarHBondContact O-NH1 3.44Å; F915-R948 VanDerWaalsContact CG-NH1 3.32Å; H945-R948 VanDerWaalsContact O-CD 3.31Å; H945-R948 WeakPolarHBondContact O-CD 3.41Å; H945-R948 WeakPolarHBondContact O-CG 3.36Å; H945-R948 PolarHBondContact O-NE 3.21Å; H945-R948 VanDerWaalsContact O-NE 3.16Å; R948-K950 PolarHBondContact O-N 3.01Å
949	H	91.1	Very high	92.5	Very high	37 Å²	37	29.1 Å²	29.1	17%	0.171	14%	0.139	C	C	.	.			trans	-76.5	-3.9	-177.1	72.3	-77	0	0	0	114.5	D469 R907 H908 K947	D469-H949 IonicContact OD2-CE1 3.8Å; D469-H949 PolarHBondContact OD2-CE1 3.42Å; D469-H949 VanDerWaalsContact OD2-CE1 3.25Å; D469-H949 IonicContact OD2-NE2 2.79Å; D469-H949 PolarHBondContact OD2-NE2 3.06Å; D469-H949 VanDerWaalsContact OD2-NE2 3.13Å; R907-H949 VanDerWaalsContact CA-O 3.32Å; R907-H949 WeakPolarHBondContact CA-O 3.5Å; H908-H949 PolarHBondContact N-O 3.34Å; K947-H949 WeakPolarHBondContact CB-ND1 3.33Å; K947-H949 PolarHBondContact O-N 3.06Å
950	K	92.7	Very high	92.3	Very high	35 Å²	35	29.9 Å²	29.9	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.2	179.8	-78.4	167.1	-179.1	158.1	0	110	D469 L906 R907 Y943 R948	D469-K950 IonicContact OD2-NZ 3.84Å; D469-K950 PolarHBondContact OD2-NZ 3.38Å; L906-K950 VanDerWaalsContact O-CA 3.29Å; L906-K950 WeakPolarHBondContact O-CA 3.17Å; R907-K950 HydrophobicContact CB-CG 4.14Å; Y943-K950 HydrophobicContact CD2-CB 4.12Å; Y943-K950 HydrophobicContact CE2-CB 4.34Å; R948-K950 PolarHBondContact O-N 3.01Å
951	L	93.8	Very high	92.1	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.3	173.5	61.2	81.2	0	0	0	110.4	L906 L911 F919 F940 I941 L942 Y943	L906-L951 HydrophobicContact CB-CD1 3.91Å; L906-L951 HydrophobicContact CB-CG 4.43Å; L906-L951 WeakPolarHBondContact CB-O 3.22Å; L906-L951 HydrophobicContact CD1-CD1 3.66Å; L906-L951 HydrophobicContact CG-CD1 4.45Å; L906-L951 PolarHBondContact N-O 3.14Å; L906-L951 PolarHBondContact O-N 3.2Å; L911-L951 HydrophobicContact CD1-CD2 3.59Å; L911-L951 HydrophobicContact CD1-CG 4.17Å; L911-L951 HydrophobicContact CD2-CD2 4.38Å; F919-L951 HydrophobicContact CE1-CD2 4.12Å; F919-L951 HydrophobicContact CE2-CD2 4.2Å; F919-L951 HydrophobicContact CZ-CD2 3.71Å; F940-L951 HydrophobicContact CD1-CD1 4.05Å; I941-L951 CarbonylContact O-C 3.53Å; I941-L951 WeakPolarHBondContact O-CA 3.21Å; L942-L951 HydrophobicContact CD2-CB 4.35Å; Y943-L951 VanDerWaalsContact CE2-C 3.42Å
952	G	95.4	Very high	92.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	157.5	165	0	0	0	0	0	110.8	T903 F940 I941 Y943	T903-G952 CarbonylContact O-C 3.23Å; T903-G952 WeakPolarHBondContact O-CA 3.28Å; F940-G952 CarbonylContact C-O 3.59Å; F940-G952 WeakPolarHBondContact CA-O 3.45Å; I941-G952 PolarHBondContact N-O 2.87Å; I941-G952 PolarHBondContact O-N 2.91Å; Y943-G952 WeakPolarHBondContact OH-CA 3.34Å; Y943-G952 PolarHBondContact OH-N 3.36Å
953	M	96.5	Very high	92.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.5	175.9	-169.2	167.3	82	0	0	109.6	M902 T903 L906 T938 F940 F967 N970 L971	M902-M953 WeakPolarHBondContact CA-O 3.35Å; T903-M953 HydrophobicContact CG2-CB 4.24Å; T903-M953 PolarHBondContact N-O 2.91Å; T903-M953 PolarHBondContact O-N 3.27Å; L906-M953 HydrophobicContact CD1-CB 3.47Å; L906-M953 VanDerWaalsContact CD1-CB 3.47Å; T938-M953 HydrophobicContact CG2-CG 3.52Å; T938-M953 HydrophobicContact CG2-SD 3.85Å; F940-M953 HydrophobicContact CD1-CB 4.23Å; F940-M953 HydrophobicContact CD1-CG 4.03Å; F940-M953 HydrophobicContact CD1-SD 4.38Å; F940-M953 HydrophobicContact CE1-CB 4.33Å; F940-M953 HydrophobicContact CE1-CG 3.78Å; F940-M953 HydrophobicContact CE1-SD 3.56Å; F940-M953 VanDerWaalsContact CE1-SD 3.56Å; F940-M953 HydrophobicContact CZ-SD 4.24Å; M953-F967 HydrophobicContact CB-CE2 4.19Å; M953-F967 HydrophobicContact CE-CB 4.31Å; M953-F967 HydrophobicContact CE-CD1 3.77Å; M953-F967 HydrophobicContact CE-CD2 3.19Å; M953-F967 HydrophobicContact CE-CE1 3.83Å; M953-F967 HydrophobicContact CE-CE2 3.22Å; M953-F967 HydrophobicContact CE-CG 3.48Å; M953-F967 VanDerWaalsContact CE-CG 3.48Å; M953-F967 HydrophobicContact CE-CZ 3.55Å; M953-F967 HydrophobicContact CG-CE2 4.26Å; M953-N970 HydrophobicContact CE-CB 4.4Å; M953-N970 HydrophobicContact SD-CB 4.33Å; M953-L971 HydrophobicContact CE-CD2 3.66Å; M953-L971 HydrophobicContact CE-CG 3.74Å; M953-L971 HydrophobicContact SD-CD2 4.11Å
954	L	97.1	Very high	92.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.5	177.4	168.2	61.9	0	0	0	107.9	L854 T855 L858 A900 V901 M902 T938 V939 I941 I956	L854-L954 HydrophobicContact CB-CD2 4.49Å; L854-L954 HydrophobicContact CD2-CD2 4.1Å; L854-L954 HydrophobicContact CG-CD2 4.05Å; T855-L954 VanDerWaalsContact OG1-CD1 3.29Å; T855-L954 WeakPolarHBondContact OG1-CD1 3.22Å; L858-L954 HydrophobicContact CD1-CD2 4.02Å; A900-L954 HydrophobicContact CB-CD1 3.98Å; V901-L954 WeakPolarHBondContact O-CA 3.24Å; M902-L954 HydrophobicContact CB-CD1 3.78Å; M902-L954 HydrophobicContact CE-CD1 4.19Å; T938-L954 CarbonylContact C-O 3.55Å; T938-L954 VanDerWaalsContact CA-O 3.26Å; T938-L954 WeakPolarHBondContact CA-O 3.29Å; V939-L954 PolarHBondContact N-O 3.09Å; V939-L954 PolarHBondContact O-N 3.49Å; I941-L954 HydrophobicContact CD1-CB 4.33Å; L954-I956 HydrophobicContact CD1-CD1 4.47Å; L954-I956 HydrophobicContact CD1-CG1 4.06Å; L954-I956 HydrophobicContact CD2-CD1 4.21Å; L954-I956 HydrophobicContact CG-CD1 4.27Å; L954-I956 HydrophobicContact CG-CG1 4.15Å
955	T	97.4	Very high	92.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.4	176.2	-55.8	0	0	0	0	109.1	A900 V901 G937 T938 V963 T966	A900-T955 CarbonylContact C-O 3.57Å; A900-T955 VanDerWaalsContact CA-O 3.22Å; A900-T955 WeakPolarHBondContact CA-O 3.3Å; V901-T955 PolarHBondContact N-O 2.8Å; V901-T955 PolarHBondContact O-N 2.77Å; G937-T955 CarbonylContact O-C 3.22Å; G937-T955 WeakPolarHBondContact O-CA 3.17Å; T938-T955 PolarHBondContact OG1-OG1 2.98Å; T938-T955 VanDerWaalsContact OG1-OG1 3.13Å; T955-V963 HydrophobicContact CG2-CG1 3.95Å; T955-V963 WeakPolarHBondContact O-CG1 3.5Å; T955-T966 HydrophobicContact CG2-CG2 3.88Å
956	I	96.4	Very high	93.2	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141	-177.5	-55.9	170.2	0	0	0	109.4	T855 T859 R898 Y899 A900 Y930 Q936 G937 L954	T855-I956 HydrophobicContact CG2-CD1 3.9Å; T855-I956 HydrophobicContact CG2-CG1 4.29Å; T859-I956 HydrophobicContact CG2-CD1 3.86Å; T859-I956 HydrophobicContact CG2-CG2 4.16Å; R898-I956 HydrophobicContact CB-CG2 4.4Å; Y899-I956 WeakPolarHBondContact O-CA 3.41Å; A900-I956 HydrophobicContact CB-CG1 4.19Å; Y930-I956 HydrophobicContact CE2-CD1 4.17Å; Q936-I956 WeakPolarHBondContact CB-O 3.45Å; G937-I956 PolarHBondContact N-O 2.92Å; G937-I956 PolarHBondContact O-N 3.43Å; L954-I956 HydrophobicContact CD1-CD1 4.47Å; L954-I956 HydrophobicContact CD1-CG1 4.06Å; L954-I956 HydrophobicContact CD2-CD1 4.21Å; L954-I956 HydrophobicContact CG-CD1 4.27Å; L954-I956 HydrophobicContact CG-CG1 4.15Å
957	G	94.1	Very high	93.7	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	-177.1	175.3	0	0	0	0	0	113.2	R898 Y899 V963	R898-G957 CarbonylContact C-O 3.55Å; R898-G957 VanDerWaalsContact CA-O 3.29Å; R898-G957 WeakPolarHBondContact CA-O 3.48Å; R898-G957 VanDerWaalsContact CD-O 3.29Å; R898-G957 WeakPolarHBondContact CD-O 3.47Å; Y899-G957 PolarHBondContact N-O 3.32Å; Y899-G957 PolarHBondContact O-N 3.11Å; G957-V963 VanDerWaalsContact N-CG2 3.29Å
958	E	90.5	Very high	94.1	Very high	82 Å²	82	29.8 Å²	29.8	38%	0.383	16%	0.158	S	C	.	.	S	Bend	trans	-83.2	-30	-173.2	-36.6	-153.2	123.3	0	0	114	R874 R898 Y899	R874-E958 IonicContact CZ-OE1 3.27Å; R874-E958 IonicContact NE-OE1 3.21Å; R874-E958 IonicContact NH2-OE1 2.86Å; R874-E958 PolarHBondContact NH2-OE1 3.35Å; R874-E958 IonicContact NH2-OE2 2.76Å; R874-E958 PolarHBondContact NH2-OE2 3.16Å; R898-E958 IonicContact CZ-OE1 2.71Å; R898-E958 IonicContact NH1-OE1 3.34Å; R898-E958 PolarHBondContact NH1-OE1 3.26Å; R898-E958 IonicContact NH2-OE1 3.46Å; R898-E958 PolarHBondContact NH2-OE1 3.35Å; Y899-E958 WeakPolarHBondContact CD2-O 3.5Å; Y899-E958 WeakPolarHBondContact CE2-O 3.46Å
959	D	90.1	Very high	94.4	Very high	87 Å²	87	35.6 Å²	35.6	47%	0.465	18%	0.179	S	C	.	.			trans	-119.7	130	-175.9	172.4	53.5	0	0	0	111.3	Q961 G962 V963	D959-Q961 PolarHBondContact O-N 3.04Å; D959-Q961 WeakPolarHBondContact OD2-CB 3.43Å; D959-Q961 PolarHBondContact OD2-N 2.74Å; D959-G962 PolarHBondContact O-N 3.04Å; D959-G962 PolarHBondContact OD2-N 3.12Å; D959-V963 WeakPolarHBondContact O-CG2 3.44Å; D959-V963 PolarHBondContact O-N 3.1Å
960	L	91.9	Very high	94.6	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-43.2	-176.6	178.7	61.1	0	0	0	112.1	T788 T792 Y899 V963 L964	T788-L960 HydrophobicContact CG2-CD1 4.16Å; T792-L960 HydrophobicContact CG2-CD2 3.94Å; T792-L960 WeakPolarHBondContact OG1-CD2 3.44Å; Y899-L960 HydrophobicContact CD1-CB 4.06Å; Y899-L960 HydrophobicContact CD1-CD1 4.32Å; Y899-L960 HydrophobicContact CD2-CB 4.13Å; Y899-L960 HydrophobicContact CE1-CB 4.46Å; Y899-L960 HydrophobicContact CG-CB 3.89Å; Y899-L960 HydrophobicContact CG-CD1 4.36Å; L960-V963 PolarHBondContact O-N 3.11Å; L960-L964 HydrophobicContact CD1-CD1 4.28Å; L960-L964 HydrophobicContact CD1-CG 4.35Å; L960-L964 HydrophobicContact CG-CD1 4.15Å; L960-L964 WeakPolarHBondContact O-CB 3.44Å; L960-L964 WeakPolarHBondContact O-CG 3.45Å; L960-L964 PolarHBondContact O-N 3.06Å
961	Q	92.3	Very high	94.7	Very high	81 Å²	81	32.6 Å²	32.6	38%	0.379	17%	0.167	S	C	.	.	H	α-helix	trans	-66	-43.1	179.3	-62.4	-178	9.3	0	0	110.8	D959 V963 L964 M965 L1000 T1003	D959-Q961 PolarHBondContact O-N 3.04Å; D959-Q961 WeakPolarHBondContact OD2-CB 3.43Å; D959-Q961 PolarHBondContact OD2-N 2.74Å; Q961-V963 PolarHBondContact O-N 3.28Å; Q961-L964 PolarHBondContact O-N 3.29Å; Q961-M965 WeakPolarHBondContact O-CB 3.41Å; Q961-M965 WeakPolarHBondContact O-CG 3.28Å; Q961-M965 PolarHBondContact O-N 3.33Å; Q961-L1000 HydrophobicContact CB-CD2 3.92Å; Q961-L1000 HydrophobicContact CG-CD2 4.07Å; Q961-T1003 VanDerWaalsContact NE2-CG2 3.3Å
962	G	93	Very high	94.8	Very high	30 Å²	30	37.1 Å²	37.1	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-40.3	174	0	0	0	0	0	113.3	D959 T966	D959-G962 PolarHBondContact O-N 3.04Å; D959-G962 PolarHBondContact OD2-N 3.12Å; G962-T966 WeakPolarHBondContact O-CB 3.41Å; G962-T966 PolarHBondContact O-N 3.49Å; G962-T966 PolarHBondContact O-OG1 3.06Å
963	V	95.2	Very high	94.7	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-44.3	177.3	177.9	0	0	0	0	110.9	V901 T955 G957 D959 L960 Q961 M965 T966 F967	V901-V963 HydrophobicContact CB-CG1 4.01Å; V901-V963 HydrophobicContact CG2-CB 4.32Å; V901-V963 HydrophobicContact CG2-CG1 3.52Å; T955-V963 HydrophobicContact CG2-CG1 3.95Å; T955-V963 WeakPolarHBondContact O-CG1 3.5Å; G957-V963 VanDerWaalsContact N-CG2 3.29Å; D959-V963 WeakPolarHBondContact O-CG2 3.44Å; D959-V963 PolarHBondContact O-N 3.1Å; L960-V963 PolarHBondContact O-N 3.11Å; Q961-V963 PolarHBondContact O-N 3.28Å; V963-M965 PolarHBondContact O-N 3.43Å; V963-T966 PolarHBondContact O-N 2.94Å; V963-F967 WeakPolarHBondContact O-CB 3.4Å; V963-F967 PolarHBondContact O-N 2.99Å
964	L	95.2	Very high	94.6	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-46	174.4	-78.3	169.6	0	0	0	111.6	L776 T788 V901 L960 Q961 T966 F967 A968 I996 I999 L1000	L776-L964 HydrophobicContact CD2-CD2 4.47Å; T788-L964 HydrophobicContact CG2-CD2 4.14Å; V901-L964 HydrophobicContact CG1-CD2 4.3Å; V901-L964 HydrophobicContact CG2-CD2 3.67Å; V901-L964 HydrophobicContact CG2-CG 3.97Å; L960-L964 HydrophobicContact CD1-CD1 4.28Å; L960-L964 HydrophobicContact CD1-CG 4.35Å; L960-L964 HydrophobicContact CG-CD1 4.15Å; L960-L964 WeakPolarHBondContact O-CB 3.44Å; L960-L964 WeakPolarHBondContact O-CG 3.45Å; L960-L964 PolarHBondContact O-N 3.06Å; Q961-L964 PolarHBondContact O-N 3.29Å; L964-T966 PolarHBondContact O-N 3.39Å; L964-F967 PolarHBondContact O-N 3.44Å; L964-A968 WeakPolarHBondContact O-CB 3.44Å; L964-A968 PolarHBondContact O-N 3.37Å; L964-I996 HydrophobicContact CB-CG2 3.86Å; L964-I996 HydrophobicContact CD2-CG1 4.17Å; L964-I996 HydrophobicContact CD2-CG2 4.17Å; L964-I999 HydrophobicContact CD1-CG2 4.24Å; L964-L1000 HydrophobicContact CB-CD2 4.23Å; L964-L1000 HydrophobicContact CD1-CD2 4.2Å
965	M	94.9	Very high	94.4	Very high	109 Å²	109	39 Å²	39	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-62.1	-42.4	175.3	-78.1	-63	-68.3	0	0	112.4	Q961 V963 A968 R969 L1000	Q961-M965 WeakPolarHBondContact O-CB 3.41Å; Q961-M965 WeakPolarHBondContact O-CG 3.28Å; Q961-M965 PolarHBondContact O-N 3.33Å; V963-M965 PolarHBondContact O-N 3.43Å; M965-A968 PolarHBondContact O-N 3.45Å; M965-R969 WeakPolarHBondContact O-CB 3.43Å; M965-R969 PolarHBondContact O-N 2.86Å; M965-L1000 HydrophobicContact CG-CD1 3.67Å; M965-L1000 HydrophobicContact SD-CD1 3.28Å; M965-L1000 WeakPolarHBondContact SD-CD1 3.37Å
966	T	95.8	Very high	94.1	Very high	57 Å²	57	44.1 Å²	44.1	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-42.7	177.5	-59.7	0	0	0	0	111	T955 G962 V963 L964 R969 N970	T955-T966 HydrophobicContact CG2-CG2 3.88Å; G962-T966 WeakPolarHBondContact O-CB 3.41Å; G962-T966 PolarHBondContact O-N 3.49Å; G962-T966 PolarHBondContact O-OG1 3.06Å; V963-T966 PolarHBondContact O-N 2.94Å; L964-T966 PolarHBondContact O-N 3.39Å; T966-R969 PolarHBondContact O-N 2.91Å; T966-N970 WeakPolarHBondContact O-CB 3.44Å; T966-N970 PolarHBondContact O-N 3.16Å; T966-N970 PolarHBondContact O-ND2 3.12Å; T966-N970 PolarHBondContact O-OD1 2.77Å
967	F	96.3	Very high	93.9	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-50.1	175.8	-176.8	-78.7	0	0	0	111.2	V901 T903 M953 V963 L964 N970 L971 I996	V901-F967 HydrophobicContact CB-CB 4.34Å; V901-F967 HydrophobicContact CB-CD2 3.86Å; V901-F967 HydrophobicContact CB-CE2 4.49Å; V901-F967 HydrophobicContact CB-CG 4.24Å; V901-F967 HydrophobicContact CG1-CB 4.18Å; V901-F967 HydrophobicContact CG1-CD1 4.18Å; V901-F967 HydrophobicContact CG1-CD2 3.42Å; V901-F967 VanDerWaalsContact CG1-CD2 3.42Å; V901-F967 HydrophobicContact CG1-CE1 4.42Å; V901-F967 HydrophobicContact CG1-CE2 3.74Å; V901-F967 HydrophobicContact CG1-CG 3.67Å; V901-F967 HydrophobicContact CG1-CZ 4.22Å; T903-F967 HydrophobicContact CG2-CE2 3.9Å; T903-F967 HydrophobicContact CG2-CZ 3.57Å; M953-F967 HydrophobicContact CB-CE2 4.19Å; M953-F967 HydrophobicContact CE-CB 4.31Å; M953-F967 HydrophobicContact CE-CD1 3.77Å; M953-F967 HydrophobicContact CE-CD2 3.19Å; M953-F967 HydrophobicContact CE-CE1 3.83Å; M953-F967 HydrophobicContact CE-CE2 3.22Å; M953-F967 HydrophobicContact CE-CG 3.48Å; M953-F967 VanDerWaalsContact CE-CG 3.48Å; M953-F967 HydrophobicContact CE-CZ 3.55Å; M953-F967 HydrophobicContact CG-CE2 4.26Å; V963-F967 WeakPolarHBondContact O-CB 3.4Å; V963-F967 PolarHBondContact O-N 2.99Å; L964-F967 PolarHBondContact O-N 3.44Å; F967-N970 PolarHBondContact O-N 3.37Å; F967-L971 HydrophobicContact CD1-CD1 4.04Å; F967-L971 HydrophobicContact CD1-CG 4.36Å; F967-L971 HydrophobicContact CE1-CD1 3.5Å; F967-L971 VanDerWaalsContact CE1-CD1 3.5Å; F967-L971 HydrophobicContact CE1-CG 4.11Å; F967-L971 HydrophobicContact CZ-CD1 4.27Å; F967-L971 PolarHBondContact O-N 2.87Å; F967-L971 VanDerWaalsContact O-N 3.08Å; F967-I996 HydrophobicContact CD1-CD1 3.32Å; F967-I996 HydrophobicContact CE1-CD1 3.77Å; F967-I996 HydrophobicContact CG-CD1 4.31Å
968	A	95.9	Very high	93.7	Very high	8 Å²	8	49 Å²	49	7%	0.066	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-43.9	178.2	0	0	0	0	0	112.2	L964 M965 N970 L971 F972 I993 I996	L964-A968 WeakPolarHBondContact O-CB 3.44Å; L964-A968 PolarHBondContact O-N 3.37Å; M965-A968 PolarHBondContact O-N 3.45Å; A968-N970 VanDerWaalsContact C-N 3.33Å; A968-N970 PolarHBondContact O-N 3.32Å; A968-L971 PolarHBondContact O-N 3.46Å; A968-F972 WeakPolarHBondContact O-CB 3.48Å; A968-F972 PolarHBondContact O-N 3.36Å; A968-I993 HydrophobicContact CB-CG1 4.37Å; A968-I993 HydrophobicContact CB-CG2 4.41Å; A968-I996 HydrophobicContact CB-CB 4.43Å; A968-I996 HydrophobicContact CB-CD1 4.23Å; A968-I996 HydrophobicContact CB-CG2 4.08Å
969	R	96.1	Very high	93.7	Very high	159 Å²	159	45.7 Å²	45.7	60%	0.6	23%	0.226	S	C	*	.	H	α-helix	trans	-58.1	-44.3	174.9	177.1	-176.4	169.1	-161.5	-5.2	111.6	M965 T966 F972 I973	M965-R969 WeakPolarHBondContact O-CB 3.43Å; M965-R969 PolarHBondContact O-N 2.86Å; T966-R969 PolarHBondContact O-N 2.91Å; R969-F972 WeakPolarHBondContact O-CB 3.25Å; R969-F972 PolarHBondContact O-N 2.89Å; R969-I973 HydrophobicContact CG-CD1 3.86Å; R969-I973 HydrophobicContact CG-CG1 4.48Å; R969-I973 WeakPolarHBondContact O-CG1 3.24Å; R969-I973 PolarHBondContact O-N 3.18Å
970	N	96.4	Very high	93.2	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-43.4	-179.8	-69.3	-10.2	0	0	0	111.3	I928 T938 M953 T966 F967 A968 F972 I973 I974	I928-N970 HydrophobicContact CD1-CB 4.15Å; I928-N970 HydrophobicContact CG2-CB 4.32Å; T938-N970 PolarHBondContact OG1-ND2 3.02Å; M953-N970 HydrophobicContact CE-CB 4.4Å; M953-N970 HydrophobicContact SD-CB 4.33Å; T966-N970 WeakPolarHBondContact O-CB 3.44Å; T966-N970 PolarHBondContact O-N 3.16Å; T966-N970 PolarHBondContact O-ND2 3.12Å; T966-N970 PolarHBondContact O-OD1 2.77Å; F967-N970 PolarHBondContact O-N 3.37Å; A968-N970 VanDerWaalsContact C-N 3.33Å; A968-N970 PolarHBondContact O-N 3.32Å; N970-F972 VanDerWaalsContact C-N 3.31Å; N970-F972 PolarHBondContact O-N 3.38Å; N970-I973 PolarHBondContact O-N 3.1Å; N970-I974 WeakPolarHBondContact O-CB 3.45Å; N970-I974 WeakPolarHBondContact O-CD1 3.48Å; N970-I974 WeakPolarHBondContact O-CG1 3.18Å; N970-I974 PolarHBondContact O-N 3.4Å
971	L	95.3	Very high	92.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41.2	173.7	-69.4	-174.3	0	0	0	112.2	L906 M953 F967 A968 H975 F989 I993	L906-L971 HydrophobicContact CD1-CD2 3.75Å; L906-L971 HydrophobicContact CD2-CD1 4.08Å; L906-L971 HydrophobicContact CD2-CD2 3.91Å; L906-L971 HydrophobicContact CG-CD2 4.47Å; M953-L971 HydrophobicContact CE-CD2 3.66Å; M953-L971 HydrophobicContact CE-CG 3.74Å; M953-L971 HydrophobicContact SD-CD2 4.11Å; F967-L971 HydrophobicContact CD1-CD1 4.04Å; F967-L971 HydrophobicContact CD1-CG 4.36Å; F967-L971 HydrophobicContact CE1-CD1 3.5Å; F967-L971 VanDerWaalsContact CE1-CD1 3.5Å; F967-L971 HydrophobicContact CE1-CG 4.11Å; F967-L971 HydrophobicContact CZ-CD1 4.27Å; F967-L971 PolarHBondContact O-N 2.87Å; F967-L971 VanDerWaalsContact O-N 3.08Å; A968-L971 PolarHBondContact O-N 3.46Å; L971-H975 VanDerWaalsContact O-CB 3.27Å; L971-H975 WeakPolarHBondContact O-CB 3.06Å; L971-H975 PolarHBondContact O-N 3.34Å; L971-F989 HydrophobicContact CB-CB 4.42Å; L971-F989 HydrophobicContact CB-CD2 4.27Å; L971-F989 HydrophobicContact CB-CG 4.5Å; L971-F989 HydrophobicContact CD2-CD1 4.37Å; L971-F989 HydrophobicContact CD2-CD2 3.96Å; L971-F989 HydrophobicContact CD2-CE1 4.49Å; L971-F989 HydrophobicContact CD2-CE2 4.04Å; L971-F989 HydrophobicContact CD2-CG 4.12Å; L971-F989 HydrophobicContact CD2-CZ 4.32Å; L971-I993 HydrophobicContact CB-CD1 3.94Å; L971-I993 HydrophobicContact CB-CG1 4Å; L971-I993 HydrophobicContact CD1-CG1 4.39Å
972	F	94.8	Very high	91.9	Very high	100 Å²	100	51.1 Å²	51.1	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-50.6	179.1	178.8	-98.4	0	0	0	111.8	A968 R969 N970 I974 H975 Q976 I993	A968-F972 WeakPolarHBondContact O-CB 3.48Å; A968-F972 PolarHBondContact O-N 3.36Å; R969-F972 WeakPolarHBondContact O-CB 3.25Å; R969-F972 PolarHBondContact O-N 2.89Å; N970-F972 VanDerWaalsContact C-N 3.31Å; N970-F972 PolarHBondContact O-N 3.38Å; F972-I974 PolarHBondContact O-N 2.91Å; F972-H975 PolarHBondContact O-N 3.48Å; F972-Q976 HydrophobicContact CD1-CG 4.49Å; F972-Q976 HydrophobicContact CE1-CG 4.18Å; F972-Q976 VanDerWaalsContact CE1-NE2 3.28Å; F972-Q976 VanDerWaalsContact CE1-OE1 3.29Å; F972-Q976 VanDerWaalsContact CZ-CD 3.5Å; F972-Q976 HydrophobicContact CZ-CG 4.22Å; F972-Q976 WeakPolarHBondContact O-CG 3.39Å; F972-Q976 PolarHBondContact O-N 2.97Å; F972-I993 HydrophobicContact CB-CD1 3.97Å
973	I	94.3	Very high	91.3	Very high	22 Å²	22	53.7 Å²	53.7	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-48.8	178.2	-67.8	169	0	0	0	110.3	H926 I928 R969 N970 H975 Q976 E977	H926-I973 HydrophobicContact CB-CG2 3.89Å; I928-I973 HydrophobicContact CD1-CB 4.26Å; I928-I973 HydrophobicContact CD1-CG2 4.1Å; R969-I973 HydrophobicContact CG-CD1 3.86Å; R969-I973 HydrophobicContact CG-CG1 4.48Å; R969-I973 WeakPolarHBondContact O-CG1 3.24Å; R969-I973 PolarHBondContact O-N 3.18Å; N970-I973 PolarHBondContact O-N 3.1Å; I973-H975 VanDerWaalsContact C-N 3.29Å; I973-H975 PolarHBondContact O-N 2.81Å; I973-Q976 PolarHBondContact O-N 3.37Å; I973-Q976 VanDerWaalsContact O-N 3.15Å; I973-E977 HydrophobicContact CG2-CG 4.44Å; I973-E977 WeakPolarHBondContact O-CG 3.39Å; I973-E977 PolarHBondContact O-N 2.7Å
974	I	94.1	Very high	90.7	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-44.5	179.3	-67.4	163.7	0	0	0	110.3	F919 I928 F940 N970 F972 Q976 E977 I978 F989	F919-I974 HydrophobicContact CE2-CD1 4.26Å; F919-I974 HydrophobicContact CE2-CG1 4.35Å; F919-I974 HydrophobicContact CE2-CG2 3.81Å; F919-I974 HydrophobicContact CZ-CD1 4.26Å; I928-I974 HydrophobicContact CD1-CD1 4.48Å; I928-I974 HydrophobicContact CD1-CG1 4.14Å; F940-I974 HydrophobicContact CE1-CD1 3.88Å; F940-I974 HydrophobicContact CZ-CD1 3.75Å; N970-I974 WeakPolarHBondContact O-CB 3.45Å; N970-I974 WeakPolarHBondContact O-CD1 3.48Å; N970-I974 WeakPolarHBondContact O-CG1 3.18Å; N970-I974 PolarHBondContact O-N 3.4Å; F972-I974 PolarHBondContact O-N 2.91Å; I974-Q976 VanDerWaalsContact C-N 3.33Å; I974-Q976 PolarHBondContact O-N 2.89Å; I974-E977 PolarHBondContact O-N 3.41Å; I974-I978 HydrophobicContact CG2-CD1 4Å; I974-I978 VanDerWaalsContact O-CG1 3.24Å; I974-I978 WeakPolarHBondContact O-CG1 3.47Å; I974-I978 PolarHBondContact O-N 3.46Å; I974-I978 VanDerWaalsContact O-N 3.13Å; I974-F989 HydrophobicContact CB-CE2 4.31Å; I974-F989 HydrophobicContact CG2-CE2 3.79Å
975	H	93.1	Very high	90.2	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.065	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-42.9	178.3	178	61	0	0	0	111.9	H908 L971 F972 I973 S979 Q984 F989 K990	H908-H975 AromaticContact CD2-ND1 3.68Å; H908-H975 AromaticContact NE2-CE1 3.59Å; H908-H975 AromaticContact NE2-ND1 2.91Å; H908-H975 PolarHBondContact NE2-ND1 2.87Å; L971-H975 VanDerWaalsContact O-CB 3.27Å; L971-H975 WeakPolarHBondContact O-CB 3.06Å; L971-H975 PolarHBondContact O-N 3.34Å; F972-H975 PolarHBondContact O-N 3.48Å; I973-H975 VanDerWaalsContact C-N 3.29Å; I973-H975 PolarHBondContact O-N 2.81Å; H975-S979 PolarHBondContact CE1-OG 3.38Å; H975-S979 VanDerWaalsContact CE1-OG 3.22Å; H975-S979 PolarHBondContact ND1-OG 3.32Å; H975-S979 WeakPolarHBondContact O-CB 3.38Å; H975-S979 PolarHBondContact O-N 2.97Å; H975-S979 VanDerWaalsContact O-N 3.09Å; H975-S979 PolarHBondContact O-OG 3.25Å; H975-Q984 PolarHBondContact NE2-OE1 2.98Å; H975-F989 HydrophobicContact CB-CD2 4.2Å; H975-K990 VanDerWaalsContact CE1-CE 3.49Å; H975-K990 WeakPolarHBondContact CE1-CE 3.24Å; H975-K990 WeakPolarHBondContact NE2-CE 3.45Å; H975-K990 PolarHBondContact NE2-NZ 3.22Å
976	Q	91.4	Very high	89.9	Confident	108 Å²	108	58.4 Å²	58.4	51%	0.505	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-43.5	177.7	-72.3	-170.8	-37.2	0	0	112.5	F972 I973 I974	F972-Q976 HydrophobicContact CD1-CG 4.49Å; F972-Q976 HydrophobicContact CE1-CG 4.18Å; F972-Q976 VanDerWaalsContact CE1-NE2 3.28Å; F972-Q976 VanDerWaalsContact CE1-OE1 3.29Å; F972-Q976 VanDerWaalsContact CZ-CD 3.5Å; F972-Q976 HydrophobicContact CZ-CG 4.22Å; F972-Q976 WeakPolarHBondContact O-CG 3.39Å; F972-Q976 PolarHBondContact O-N 2.97Å; I973-Q976 PolarHBondContact O-N 3.37Å; I973-Q976 VanDerWaalsContact O-N 3.15Å; I974-Q976 VanDerWaalsContact C-N 3.33Å; I974-Q976 PolarHBondContact O-N 2.89Å
977	E	90.9	Very high	89.6	Confident	99 Å²	99	56.9 Å²	56.9	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-68.9	-35.5	-177.5	-70.8	-58.9	134.3	0	0	113.1	I922 H926 I973 I974	I922-E977 HydrophobicContact CG2-CB 3.87Å; I922-E977 HydrophobicContact CG2-CG 3.84Å; H926-E977 IonicContact CE1-OE1 3.13Å; H926-E977 VanDerWaalsContact NE2-CD 3.33Å; H926-E977 IonicContact NE2-OE1 2.94Å; H926-E977 PolarHBondContact NE2-OE1 2.94Å; H926-E977 IonicContact NE2-OE2 3.15Å; I973-E977 HydrophobicContact CG2-CG 4.44Å; I973-E977 WeakPolarHBondContact O-CG 3.39Å; I973-E977 PolarHBondContact O-N 2.7Å; I974-E977 PolarHBondContact O-N 3.41Å
978	I	89.8	Confident	89.4	Confident	15 Å²	15	56.8 Å²	56.8	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-94.3	-2.9	-178.4	73.7	-172.4	0	0	0	113.6	H908 N910 L911 V914 I974	H908-I978 HydrophobicContact CB-CD1 4.26Å; N910-I978 HydrophobicContact CB-CG1 4.43Å; N910-I978 WeakPolarHBondContact CB-O 3.32Å; N910-I978 PolarHBondContact ND2-O 3.36Å; L911-I978 HydrophobicContact CD2-CD1 3.7Å; L911-I978 HydrophobicContact CD2-CG2 4.48Å; L911-I978 HydrophobicContact CG-CD1 3.79Å; V914-I978 HydrophobicContact CG2-CG2 4.31Å; I974-I978 HydrophobicContact CG2-CD1 4Å; I974-I978 VanDerWaalsContact O-CG1 3.24Å; I974-I978 WeakPolarHBondContact O-CG1 3.47Å; I974-I978 PolarHBondContact O-N 3.46Å; I974-I978 VanDerWaalsContact O-N 3.13Å
979	S	90.4	Very high	89.3	Confident	12 Å²	12	56.4 Å²	56.4	8%	0.084	29%	0.293	C	S	.	.			trans	-123.3	113.9	-176.3	-50	0	0	0	0	111.4	H908 H975	H908-S979 PolarHBondContact CE1-OG 3.13Å; H908-S979 VanDerWaalsContact CE1-OG 3.29Å; H908-S979 PolarHBondContact NE2-OG 3.02Å; H975-S979 PolarHBondContact CE1-OG 3.38Å; H975-S979 VanDerWaalsContact CE1-OG 3.22Å; H975-S979 PolarHBondContact ND1-OG 3.32Å; H975-S979 WeakPolarHBondContact O-CB 3.38Å; H975-S979 PolarHBondContact O-N 2.97Å; H975-S979 VanDerWaalsContact O-N 3.09Å; H975-S979 PolarHBondContact O-OG 3.25Å
980	A	81.3	Confident	89.1	Confident	37 Å²	37	53.7 Å²	53.7	31%	0.306	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-75.7	158.9	169.3	0	0	0	0	0	110.8	N982 M983 Q984	A980-N982 VanDerWaalsContact CB-OD1 3.29Å; A980-N982 WeakPolarHBondContact CB-OD1 3.47Å; A980-N982 PolarHBondContact O-N 2.86Å; A980-N982 VanDerWaalsContact O-N 3.12Å; A980-M983 HydrophobicContact CB-CB 4.27Å; A980-M983 CarbonylContact O-C 3.56Å; A980-M983 VanDerWaalsContact O-C 3.29Å; A980-M983 PolarHBondContact O-N 2.87Å; A980-Q984 PolarHBondContact O-NE2 2.99Å
981	P	76.8	Confident	88.8	Confident	127 Å²	127	55.7 Å²	55.7	83%	0.825	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.9	177.7	-27.4	35	0	0	0	114
982	N	79.6	Confident	88.7	Confident	149 Å²	149	56 Å²	56	80%	0.797	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.2	177.4	60.4	-13.3	0	0	0	114.1	A980	A980-N982 VanDerWaalsContact CB-OD1 3.29Å; A980-N982 WeakPolarHBondContact CB-OD1 3.47Å; A980-N982 PolarHBondContact O-N 2.86Å; A980-N982 VanDerWaalsContact O-N 3.12Å
983	M	79.8	Confident	88.6	Confident	84 Å²	84	52.1 Å²	52.1	41%	0.414	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-143.4	69.5	-175.3	-166.6	179.3	71	0	0	111	N910 L913 A980	N910-M983 PolarHBondContact ND2-O 3.28Å; L913-M983 HydrophobicContact CD1-CE 3.89Å; L913-M983 HydrophobicContact CD1-SD 4.26Å; A980-M983 HydrophobicContact CB-CB 4.27Å; A980-M983 CarbonylContact O-C 3.56Å; A980-M983 VanDerWaalsContact O-C 3.29Å; A980-M983 PolarHBondContact O-N 2.87Å
984	Q	82.8	Confident	88.5	Confident	70 Å²	70	53.3 Å²	53.3	33%	0.327	30%	0.297	S	S	.	.			trans	-72.5	-26.6	-178.9	-68.3	-68.8	-63.5	0	0	113.7	H908 H975 A980	H908-Q984 PolarHBondContact CE1-O 2.63Å; H975-Q984 PolarHBondContact NE2-OE1 2.98Å; A980-Q984 PolarHBondContact O-NE2 2.99Å
985	G	84.3	Confident	88.3	Confident	37 Å²	37	54.5 Å²	54.5	38%	0.381	30%	0.304	S	S	.	.			trans	67.6	169.7	-177.9	0	0	0	0	0	114.4	S909	S909-G985 WeakPolarHBondContact OG-CA 3.5Å
986	E	88.4	Confident	88.2	Confident	109 Å²	109	53.9 Å²	53.9	51%	0.509	30%	0.301	S	S	.	.	S	Bend	trans	-86.1	124.6	170.5	-172.9	-179.1	175.5	0	0	109.3	K724 H908 S909	K724-E986 IonicContact NZ-OE1 3.49Å; K724-E986 PolarHBondContact NZ-OE1 3.22Å; H908-E986 CarbonylContact C-O 3.51Å; H908-E986 WeakPolarHBondContact CA-O 3.08Å; S909-E986 PolarHBondContact N-O 2.84Å; S909-E986 PolarHBondContact OG-N 2.89Å
987	T	91.1	Very high	88.2	Confident	26 Å²	26	53.8 Å²	53.8	16%	0.16	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-150	149	-173.4	178.1	0	0	0	0	112.5	R907 H908 F989	R907-T987 VanDerWaalsContact O-CA 3.3Å; R907-T987 WeakPolarHBondContact O-CA 3.45Å; R907-T987 PolarHBondContact O-OG1 3.36Å; H908-T987 VanDerWaalsContact CD2-CB 3.44Å; H908-T987 WeakPolarHBondContact CD2-CB 3.49Å; H908-T987 PolarHBondContact CD2-OG1 2.69Å; H908-T987 VanDerWaalsContact CD2-OG1 3.24Å; T987-F989 WeakPolarHBondContact OG1-CB 3.33Å; T987-F989 WeakPolarHBondContact OG1-CD1 3.23Å; T987-F989 WeakPolarHBondContact OG1-CG 3.02Å; T987-F989 PolarHBondContact OG1-N 2.89Å
988	N	91.5	Very high	88.1	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.011	30%	0.299	C	S	.	.	S	Bend	trans	-103.4	12.6	166.6	67.7	-15.7	0	0	0	113.2	D779 Q905 R907 T991 S992	D779-N988 VanDerWaalsContact OD1-CB 3.22Å; D779-N988 WeakPolarHBondContact OD1-CB 3.49Å; Q905-N988 PolarHBondContact O-ND2 3.22Å; R907-N988 HydrophobicContact CG-CB 4.21Å; R907-N988 PolarHBondContact N-OD1 3.44Å; R907-N988 PolarHBondContact O-N 3.47Å; R907-N988 PolarHBondContact O-OD1 3.25Å; N988-T991 VanDerWaalsContact CA-OG1 3.32Å; N988-T991 WeakPolarHBondContact CA-OG1 3.36Å; N988-T991 PolarHBondContact O-OG1 2.91Å; N988-S992 WeakPolarHBondContact O-CB 3.44Å; N988-S992 PolarHBondContact O-N 3.18Å; N988-S992 PolarHBondContact O-OG 3.41Å
989	F	93.3	Very high	88	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.9	-44.3	-179.5	-72.2	22.3	0	0	0	110.2	L906 H908 L911 L971 I974 H975 T987 T991 S992 I993	L906-F989 HydrophobicContact CB-CD1 4.48Å; L906-F989 HydrophobicContact CB-CE1 3.73Å; L906-F989 HydrophobicContact CB-CZ 4.38Å; L906-F989 HydrophobicContact CD2-CD1 4.09Å; L906-F989 HydrophobicContact CD2-CE1 4.1Å; L906-F989 HydrophobicContact CG-CE1 4.38Å; H908-F989 HydrophobicContact CB-CE1 4.09Å; H908-F989 HydrophobicContact CB-CZ 4.08Å; L911-F989 HydrophobicContact CD1-CZ 4.28Å; L971-F989 HydrophobicContact CB-CB 4.42Å; L971-F989 HydrophobicContact CB-CD2 4.27Å; L971-F989 HydrophobicContact CB-CG 4.5Å; L971-F989 HydrophobicContact CD2-CD1 4.37Å; L971-F989 HydrophobicContact CD2-CD2 3.96Å; L971-F989 HydrophobicContact CD2-CE1 4.49Å; L971-F989 HydrophobicContact CD2-CE2 4.04Å; L971-F989 HydrophobicContact CD2-CG 4.12Å; L971-F989 HydrophobicContact CD2-CZ 4.32Å; I974-F989 HydrophobicContact CB-CE2 4.31Å; I974-F989 HydrophobicContact CG2-CE2 3.79Å; H975-F989 HydrophobicContact CB-CD2 4.2Å; T987-F989 WeakPolarHBondContact OG1-CB 3.33Å; T987-F989 WeakPolarHBondContact OG1-CD1 3.23Å; T987-F989 WeakPolarHBondContact OG1-CG 3.02Å; T987-F989 PolarHBondContact OG1-N 2.89Å; F989-T991 PolarHBondContact O-N 2.95Å; F989-S992 PolarHBondContact O-N 3.32Å; F989-I993 WeakPolarHBondContact O-CD1 3.41Å; F989-I993 VanDerWaalsContact O-CG1 3.25Å; F989-I993 WeakPolarHBondContact O-CG1 3.37Å; F989-I993 PolarHBondContact O-N 3.15Å
990	K	91.2	Very high	87.9	Confident	101 Å²	101	54.8 Å²	54.8	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-44.3	179.2	-63.7	-175.4	-178	-179.3	0	112	H975 S992 I993 A994	H975-K990 VanDerWaalsContact CE1-CE 3.49Å; H975-K990 WeakPolarHBondContact CE1-CE 3.24Å; H975-K990 WeakPolarHBondContact NE2-CE 3.45Å; H975-K990 PolarHBondContact NE2-NZ 3.22Å; K990-S992 VanDerWaalsContact C-N 3.35Å; K990-I993 PolarHBondContact O-N 2.99Å; K990-A994 PolarHBondContact O-N 3.47Å
991	T	91.6	Very high	88.1	Confident	52 Å²	52	60.4 Å²	60.4	32%	0.319	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-39	177.7	50.1	0	0	0	0	111	A778 D779 N988 F989 A994 D995	A778-T991 WeakPolarHBondContact O-CB 3.41Å; D779-T991 PolarHBondContact OD1-OG1 3.32Å; N988-T991 VanDerWaalsContact CA-OG1 3.32Å; N988-T991 WeakPolarHBondContact CA-OG1 3.36Å; N988-T991 PolarHBondContact O-OG1 2.91Å; F989-T991 PolarHBondContact O-N 2.95Å; T991-A994 PolarHBondContact O-N 2.9Å; T991-D995 WeakPolarHBondContact O-CB 3.42Å; T991-D995 PolarHBondContact O-N 3.3Å
992	S	91.8	Very high	88.4	Confident	7 Å²	7	56.5 Å²	56.5	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-39.3	174.2	-55.6	0	0	0	0	112.9	A778 N988 F989 K990 I996	A778-S992 VanDerWaalsContact CB-CA 3.46Å; A778-S992 WeakPolarHBondContact CB-OG 3.49Å; N988-S992 WeakPolarHBondContact O-CB 3.44Å; N988-S992 PolarHBondContact O-N 3.18Å; N988-S992 PolarHBondContact O-OG 3.41Å; F989-S992 PolarHBondContact O-N 3.32Å; K990-S992 VanDerWaalsContact C-N 3.35Å; S992-I996 WeakPolarHBondContact O-CG1 3.17Å; S992-I996 PolarHBondContact O-N 2.92Å; S992-I996 VanDerWaalsContact O-N 3.16Å
993	I	93	Very high	88.6	Confident	19 Å²	19	51.9 Å²	51.9	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-47.3	176.3	-67.9	160.1	0	0	0	110.4	A968 L971 F972 F989 K990 D995 I996 E997	A968-I993 HydrophobicContact CB-CG1 4.37Å; A968-I993 HydrophobicContact CB-CG2 4.41Å; L971-I993 HydrophobicContact CB-CD1 3.94Å; L971-I993 HydrophobicContact CB-CG1 4Å; L971-I993 HydrophobicContact CD1-CG1 4.39Å; F972-I993 HydrophobicContact CB-CD1 3.97Å; F989-I993 WeakPolarHBondContact O-CD1 3.41Å; F989-I993 VanDerWaalsContact O-CG1 3.25Å; F989-I993 WeakPolarHBondContact O-CG1 3.37Å; F989-I993 PolarHBondContact O-N 3.15Å; K990-I993 PolarHBondContact O-N 2.99Å; I993-D995 VanDerWaalsContact C-N 3.31Å; I993-D995 PolarHBondContact O-N 3.39Å; I993-I996 PolarHBondContact O-N 3.44Å; I993-E997 HydrophobicContact CG2-CG 4.41Å; I993-E997 WeakPolarHBondContact O-CG 3.43Å; I993-E997 PolarHBondContact O-N 3.22Å
994	A	91.6	Very high	88.7	Confident	47 Å²	47	54.9 Å²	54.9	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-37.5	179.8	0	0	0	0	0	112.8	K990 T991 E997 T998	K990-A994 PolarHBondContact O-N 3.47Å; T991-A994 PolarHBondContact O-N 2.9Å; A994-E997 PolarHBondContact O-N 2.81Å; A994-T998 WeakPolarHBondContact O-CB 3.42Å; A994-T998 PolarHBondContact O-N 2.67Å; A994-T998 PolarHBondContact O-OG1 3.45Å
995	D	90.8	Very high	88.5	Confident	30 Å²	30	56 Å²	56	16%	0.16	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-47	174.7	-174.7	50.5	0	0	0	111.1	H777 T991 I993 E997 T998 I999	H777-D995 PolarHBondContact N-OD2 2.96Å; T991-D995 WeakPolarHBondContact O-CB 3.42Å; T991-D995 PolarHBondContact O-N 3.3Å; I993-D995 VanDerWaalsContact C-N 3.31Å; I993-D995 PolarHBondContact O-N 3.39Å; D995-E997 PolarHBondContact O-N 3.47Å; D995-T998 WeakPolarHBondContact O-CB 3.35Å; D995-T998 PolarHBondContact O-N 3.28Å; D995-T998 VanDerWaalsContact O-N 3.12Å; D995-I999 WeakPolarHBondContact O-CG1 3.29Å; D995-I999 PolarHBondContact O-N 3.25Å
996	I	91.8	Very high	88.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.2	176.3	-68.5	169.1	0	0	0	111.8	L964 F967 A968 S992 I993 T998 I999 L1000	L964-I996 HydrophobicContact CB-CG2 3.86Å; L964-I996 HydrophobicContact CD2-CG1 4.17Å; L964-I996 HydrophobicContact CD2-CG2 4.17Å; F967-I996 HydrophobicContact CD1-CD1 3.32Å; F967-I996 HydrophobicContact CE1-CD1 3.77Å; F967-I996 HydrophobicContact CG-CD1 4.31Å; A968-I996 HydrophobicContact CB-CB 4.43Å; A968-I996 HydrophobicContact CB-CD1 4.23Å; A968-I996 HydrophobicContact CB-CG2 4.08Å; S992-I996 WeakPolarHBondContact O-CG1 3.17Å; S992-I996 PolarHBondContact O-N 2.92Å; S992-I996 VanDerWaalsContact O-N 3.16Å; I993-I996 PolarHBondContact O-N 3.44Å; I996-T998 PolarHBondContact O-N 3.42Å; I996-I999 PolarHBondContact O-N 3.48Å; I996-L1000 HydrophobicContact CG2-CD1 3.89Å; I996-L1000 HydrophobicContact CG2-CG 4.32Å; I996-L1000 WeakPolarHBondContact O-CB 3.46Å; I996-L1000 VanDerWaalsContact O-CG 3.3Å; I996-L1000 WeakPolarHBondContact O-CG 3.41Å; I996-L1000 PolarHBondContact O-N 3.03Å
997	E	91.1	Very high	87.8	Confident	106 Å²	106	59 Å²	59	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-36.8	175.3	-73.7	176.2	177	0	0	112.1	I993 A994 D995 R1001	I993-E997 HydrophobicContact CG2-CG 4.41Å; I993-E997 WeakPolarHBondContact O-CG 3.43Å; I993-E997 PolarHBondContact O-N 3.22Å; A994-E997 PolarHBondContact O-N 2.81Å; D995-E997 PolarHBondContact O-N 3.47Å; E997-R1001 WeakPolarHBondContact O-CB 3.23Å; E997-R1001 PolarHBondContact O-N 2.94Å
998	T	88.8	Confident	87.1	Confident	71 Å²	71	62.3 Å²	62.3	44%	0.436	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-47.5	175.4	-56.8	0	0	0	0	110.8	A994 D995 I996 L1000 R1001 V1002	A994-T998 WeakPolarHBondContact O-CB 3.42Å; A994-T998 PolarHBondContact O-N 2.67Å; A994-T998 PolarHBondContact O-OG1 3.45Å; D995-T998 WeakPolarHBondContact O-CB 3.35Å; D995-T998 PolarHBondContact O-N 3.28Å; D995-T998 VanDerWaalsContact O-N 3.12Å; I996-T998 PolarHBondContact O-N 3.42Å; T998-L1000 VanDerWaalsContact C-N 3.33Å; T998-L1000 PolarHBondContact O-N 3.08Å; T998-R1001 PolarHBondContact O-N 3.16Å; T998-V1002 WeakPolarHBondContact O-CG2 3.25Å; T998-V1002 PolarHBondContact O-N 3Å
999	I	87.3	Confident	86.2	Confident	51 Å²	51	69.6 Å²	69.6	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-58.2	-45.7	176.4	-67	165.9	0	0	0	110.8	L776 L964 D995 I996 R1001 V1002 T1003	L776-I999 HydrophobicContact CD2-CD1 3.37Å; L964-I999 HydrophobicContact CD1-CG2 4.24Å; D995-I999 WeakPolarHBondContact O-CG1 3.29Å; D995-I999 PolarHBondContact O-N 3.25Å; I996-I999 PolarHBondContact O-N 3.48Å; I999-R1001 PolarHBondContact O-N 3.32Å; I999-V1002 PolarHBondContact O-N 2.84Å; I999-T1003 WeakPolarHBondContact O-CB 3.39Å; I999-T1003 PolarHBondContact O-N 3.1Å; I999-T1003 PolarHBondContact O-OG1 3.44Å
1000	L	88.1	Confident	85.2	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-38.2	179.3	-70.6	170.6	0	0	0	112.4	Q961 L964 M965 I996 T998 T1003 K1004	Q961-L1000 HydrophobicContact CB-CD2 3.92Å; Q961-L1000 HydrophobicContact CG-CD2 4.07Å; L964-L1000 HydrophobicContact CB-CD2 4.23Å; L964-L1000 HydrophobicContact CD1-CD2 4.2Å; M965-L1000 HydrophobicContact CG-CD1 3.67Å; M965-L1000 HydrophobicContact SD-CD1 3.28Å; M965-L1000 WeakPolarHBondContact SD-CD1 3.37Å; I996-L1000 HydrophobicContact CG2-CD1 3.89Å; I996-L1000 HydrophobicContact CG2-CG 4.32Å; I996-L1000 WeakPolarHBondContact O-CB 3.46Å; I996-L1000 VanDerWaalsContact O-CG 3.3Å; I996-L1000 WeakPolarHBondContact O-CG 3.41Å; I996-L1000 PolarHBondContact O-N 3.03Å; T998-L1000 VanDerWaalsContact C-N 3.33Å; T998-L1000 PolarHBondContact O-N 3.08Å; L1000-T1003 PolarHBondContact O-N 3.26Å; L1000-K1004 WeakPolarHBondContact O-CB 3.4Å; L1000-K1004 PolarHBondContact O-N 3.14Å
1001	R	86.1	Confident	84.4	Confident	155 Å²	155	75.9 Å²	75.9	59%	0.585	36%	0.363	S	S	*	.	H	α-helix	trans	-62.3	-51.2	174.8	-173.1	-173.7	-55	168.9	5.9	111.2	E997 T998 I999 T1003 K1004 E1005	E997-R1001 WeakPolarHBondContact O-CB 3.23Å; E997-R1001 PolarHBondContact O-N 2.94Å; T998-R1001 PolarHBondContact O-N 3.16Å; I999-R1001 PolarHBondContact O-N 3.32Å; R1001-T1003 VanDerWaalsContact C-N 3.29Å; R1001-T1003 PolarHBondContact O-N 2.96Å; R1001-K1004 PolarHBondContact O-N 3.39Å; R1001-K1004 VanDerWaalsContact O-N 3.15Å; R1001-E1005 WeakPolarHBondContact CG-OE1 3.34Å; R1001-E1005 WeakPolarHBondContact O-CG 3.39Å; R1001-E1005 PolarHBondContact O-N 3.34Å
1002	V	83.2	Confident	83.6	Confident	45 Å²	45	78.8 Å²	78.8	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-59.7	-42.3	178.2	172.7	0	0	0	0	110.7	T998 I999 K1004 E1005 N1006	T998-V1002 WeakPolarHBondContact O-CG2 3.25Å; T998-V1002 PolarHBondContact O-N 3Å; I999-V1002 PolarHBondContact O-N 2.84Å; V1002-K1004 VanDerWaalsContact C-N 3.32Å; V1002-K1004 PolarHBondContact O-N 3Å; V1002-E1005 PolarHBondContact O-N 3.45Å; V1002-N1006 WeakPolarHBondContact O-CB 3.04Å; V1002-N1006 PolarHBondContact O-N 3.4Å; V1002-N1006 PolarHBondContact O-ND2 3.45Å
1003	T	82.3	Confident	82.4	Confident	51 Å²	51	83.7 Å²	83.7	31%	0.313	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-41.1	177.7	-54.1	0	0	0	0	111.6	Q961 I999 L1000 R1001 K1007	Q961-T1003 VanDerWaalsContact NE2-CG2 3.3Å; I999-T1003 WeakPolarHBondContact O-CB 3.39Å; I999-T1003 PolarHBondContact O-N 3.1Å; I999-T1003 PolarHBondContact O-OG1 3.44Å; L1000-T1003 PolarHBondContact O-N 3.26Å; R1001-T1003 VanDerWaalsContact C-N 3.29Å; R1001-T1003 PolarHBondContact O-N 2.96Å; T1003-K1007 WeakPolarHBondContact O-CB 3.43Å; T1003-K1007 PolarHBondContact O-N 3.3Å
1004	K	82.8	Confident	81.1	Confident	147 Å²	147	86.7 Å²	86.7	64%	0.639	41%	0.409	S	S	*	.	H	α-helix	trans	-68	-42.9	177.2	-170.4	177.4	-179.7	-179.4	0	112	L1000 R1001 V1002 K1007 M1008	L1000-K1004 WeakPolarHBondContact O-CB 3.4Å; L1000-K1004 PolarHBondContact O-N 3.14Å; R1001-K1004 PolarHBondContact O-N 3.39Å; R1001-K1004 VanDerWaalsContact O-N 3.15Å; V1002-K1004 VanDerWaalsContact C-N 3.32Å; V1002-K1004 PolarHBondContact O-N 3Å; K1004-K1007 PolarHBondContact O-N 3.02Å; K1004-M1008 WeakPolarHBondContact O-CG 3.44Å; K1004-M1008 PolarHBondContact O-N 3.41Å
1005	E	79.7	Confident	79.9	Confident	93 Å²	93	90.6 Å²	90.6	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-44.1	175.8	-72.9	173.3	-168.1	0	0	111.7	R1001 V1002 K1007 M1008 R1009	R1001-E1005 WeakPolarHBondContact CG-OE1 3.34Å; R1001-E1005 WeakPolarHBondContact O-CG 3.39Å; R1001-E1005 PolarHBondContact O-N 3.34Å; V1002-E1005 PolarHBondContact O-N 3.45Å; E1005-K1007 VanDerWaalsContact C-N 3.33Å; E1005-K1007 PolarHBondContact O-N 2.97Å; E1005-M1008 PolarHBondContact O-N 3.02Å; E1005-R1009 WeakPolarHBondContact O-CG 3.36Å; E1005-R1009 PolarHBondContact O-N 3.31Å
1006	N	77.6	Confident	78.5	Confident	88 Å²	88	91.8 Å²	91.8	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-40	176.4	-71.6	-15	0	0	0	112	V1002 R1009 Y1010	V1002-N1006 WeakPolarHBondContact O-CB 3.04Å; V1002-N1006 PolarHBondContact O-N 3.4Å; V1002-N1006 PolarHBondContact O-ND2 3.45Å; N1006-R1009 PolarHBondContact O-N 3.05Å; N1006-Y1010 WeakPolarHBondContact O-CB 3.49Å; N1006-Y1010 PolarHBondContact O-N 2.98Å
1007	K	78.9	Confident	77	Confident	121 Å²	121	97.8 Å²	97.8	53%	0.526	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.8	-173.4	176.5	176.6	178.6	0	111.8	T1003 K1004 E1005 Y1010 E1011	T1003-K1007 WeakPolarHBondContact O-CB 3.43Å; T1003-K1007 PolarHBondContact O-N 3.3Å; K1004-K1007 PolarHBondContact O-N 3.02Å; E1005-K1007 VanDerWaalsContact C-N 3.33Å; E1005-K1007 PolarHBondContact O-N 2.97Å; K1007-Y1010 PolarHBondContact O-N 2.94Å; K1007-E1011 WeakPolarHBondContact CE-OE1 3.49Å; K1007-E1011 WeakPolarHBondContact O-CG 3.34Å; K1007-E1011 PolarHBondContact O-N 3.17Å
1008	M	76.3	Confident	75.5	Confident	97 Å²	97	96.8 Å²	96.8	48%	0.478	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-46.9	176.5	-68.3	-68.8	-59	0	0	111.6	K1004 E1005 Y1010 E1011 E1012	K1004-M1008 WeakPolarHBondContact O-CG 3.44Å; K1004-M1008 PolarHBondContact O-N 3.41Å; E1005-M1008 PolarHBondContact O-N 3.02Å; M1008-Y1010 VanDerWaalsContact C-N 3.33Å; M1008-Y1010 PolarHBondContact O-N 2.94Å; M1008-E1011 PolarHBondContact O-N 2.92Å; M1008-E1012 WeakPolarHBondContact O-CG 3.47Å; M1008-E1012 PolarHBondContact O-N 3.34Å
1009	R	73.7	Confident	74	Confident	155 Å²	155	98.7 Å²	98.7	59%	0.585	46%	0.461	S	S	*	.	H	α-helix	trans	-60	-41.9	177.1	-73.9	-179.4	179.5	-175.9	2.3	112.4	E1005 N1006 E1012 E1013	E1005-R1009 WeakPolarHBondContact O-CG 3.36Å; E1005-R1009 PolarHBondContact O-N 3.31Å; N1006-R1009 PolarHBondContact O-N 3.05Å; R1009-E1012 PolarHBondContact O-N 3.41Å; R1009-E1013 WeakPolarHBondContact O-CB 3.39Å; R1009-E1013 WeakPolarHBondContact O-CG 3.34Å; R1009-E1013 PolarHBondContact O-N 3.15Å
1010	Y	72.1	Confident	72.5	Confident	143 Å²	143	103.4 Å²	103.4	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-42.9	177.4	-175	-94.9	0	0	0	111.9	N1006 K1007 M1008 E1013 Q1014	N1006-Y1010 WeakPolarHBondContact O-CB 3.49Å; N1006-Y1010 PolarHBondContact O-N 2.98Å; K1007-Y1010 PolarHBondContact O-N 2.94Å; M1008-Y1010 VanDerWaalsContact C-N 3.33Å; M1008-Y1010 PolarHBondContact O-N 2.94Å; Y1010-E1013 PolarHBondContact O-N 3.41Å; Y1010-Q1014 WeakPolarHBondContact O-CB 3.45Å; Y1010-Q1014 PolarHBondContact O-N 3.25Å; Y1010-Q1014 PolarHBondContact OH-OE1 2.95Å
1011	E	74.8	Confident	70.8	Confident	90 Å²	90	107 Å²	107	42%	0.421	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-40.2	176.4	-72	171.9	-176.2	0	0	111.9	K1007 M1008 Q1014 Q1015	K1007-E1011 WeakPolarHBondContact CE-OE1 3.49Å; K1007-E1011 WeakPolarHBondContact O-CG 3.34Å; K1007-E1011 PolarHBondContact O-N 3.17Å; M1008-E1011 PolarHBondContact O-N 2.92Å; E1011-Q1014 PolarHBondContact O-N 3.14Å; E1011-Q1015 PolarHBondContact O-N 2.99Å
1012	E	73	Confident	69.3	Low	112 Å²	112	106.5 Å²	106.5	52%	0.523	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-42.3	173.6	-72.5	171.3	-176.6	0	0	112.2	M1008 R1009 Q1015 S1016	M1008-E1012 WeakPolarHBondContact O-CG 3.47Å; M1008-E1012 PolarHBondContact O-N 3.34Å; R1009-E1012 PolarHBondContact O-N 3.41Å; E1012-Q1015 PolarHBondContact O-N 3.45Å; E1012-S1016 WeakPolarHBondContact O-CB 3.46Å; E1012-S1016 PolarHBondContact O-N 3.39Å
1013	E	68.4	Low	67.7	Low	111 Å²	111	108.5 Å²	108.5	52%	0.519	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-38.6	175.2	-78.1	-177.7	-168.8	0	0	112.2	R1009 Y1010 S1016 K1017	R1009-E1013 WeakPolarHBondContact O-CB 3.39Å; R1009-E1013 WeakPolarHBondContact O-CG 3.34Å; R1009-E1013 PolarHBondContact O-N 3.15Å; Y1010-E1013 PolarHBondContact O-N 3.41Å; E1013-S1016 PolarHBondContact O-N 2.91Å; E1013-S1016 PolarHBondContact O-OG 2.99Å; E1013-K1017 WeakPolarHBondContact O-CG 3.44Å; E1013-K1017 PolarHBondContact O-N 3.4Å; E1013-K1017 VanDerWaalsContact O-N 3.1Å
1014	Q	65.2	Low	66	Low	81 Å²	81	113.3 Å²	113.3	38%	0.379	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-47.4	176.1	-149	93.9	11.3	0	0	110.9	Y1010 E1011 S1016 K1017 D1018	Y1010-Q1014 WeakPolarHBondContact O-CB 3.45Å; Y1010-Q1014 PolarHBondContact O-N 3.25Å; Y1010-Q1014 PolarHBondContact OH-OE1 2.95Å; E1011-Q1014 PolarHBondContact O-N 3.14Å; Q1014-S1016 VanDerWaalsContact C-N 3.32Å; Q1014-S1016 PolarHBondContact O-N 3.1Å; Q1014-K1017 PolarHBondContact O-N 2.76Å; Q1014-K1017 VanDerWaalsContact O-N 3.14Å; Q1014-D1018 PolarHBondContact O-N 3.41Å
1015	Q	65.2	Low	64.4	Low	130 Å²	130	111.7 Å²	111.7	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-59.9	-41.2	175.2	-82.2	177.3	-12.2	0	0	111.9	E1011 E1012 K1017 D1018 D1019	E1011-Q1015 PolarHBondContact O-N 2.99Å; E1012-Q1015 PolarHBondContact O-N 3.45Å; Q1015-K1017 VanDerWaalsContact C-N 3.29Å; Q1015-K1017 PolarHBondContact O-N 3.37Å; Q1015-D1018 PolarHBondContact O-N 3.46Å; Q1015-D1019 WeakPolarHBondContact O-CB 3.38Å; Q1015-D1019 PolarHBondContact O-N 2.94Å
1016	S	61.3	Low	63	Low	55 Å²	55	117.4 Å²	117.4	39%	0.385	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-29.7	177	82.4	0	0	0	0	113.8	E1012 E1013 Q1014 K1020	E1012-S1016 WeakPolarHBondContact O-CB 3.46Å; E1012-S1016 PolarHBondContact O-N 3.39Å; E1013-S1016 PolarHBondContact O-N 2.91Å; E1013-S1016 PolarHBondContact O-OG 2.99Å; Q1014-S1016 VanDerWaalsContact C-N 3.32Å; Q1014-S1016 PolarHBondContact O-N 3.1Å; S1016-K1020 WeakPolarHBondContact O-CB 3.5Å; S1016-K1020 WeakPolarHBondContact O-CG 3.49Å; S1016-K1020 PolarHBondContact O-N 3.25Å
1017	K	61.5	Low	61.3	Low	126 Å²	126	126.4 Å²	126.4	55%	0.548	60%	0.603	S	S	.	*	H	α-helix	trans	-77.5	-36	175.3	-76.7	174.2	-178.4	165.6	0	111.6	E1013 Q1014 Q1015 K1020 N1021	E1013-K1017 WeakPolarHBondContact O-CG 3.44Å; E1013-K1017 PolarHBondContact O-N 3.4Å; E1013-K1017 VanDerWaalsContact O-N 3.1Å; Q1014-K1017 PolarHBondContact O-N 2.76Å; Q1014-K1017 VanDerWaalsContact O-N 3.14Å; Q1015-K1017 VanDerWaalsContact C-N 3.29Å; Q1015-K1017 PolarHBondContact O-N 3.37Å; K1017-K1020 PolarHBondContact O-N 3.13Å; K1017-N1021 PolarHBondContact O-N 3.41Å; K1017-N1021 VanDerWaalsContact O-N 3.13Å; K1017-N1021 PolarHBondContact O-ND2 3.26Å
1018	D	59	Low	60.5	Low	86 Å²	86	126.7 Å²	126.7	46%	0.46	61%	0.607	S	S	.	*	H	α-helix	trans	-71.5	-39.8	177	-71	-21.8	0	0	0	111.7	Q1014 Q1015 K1020 N1021 L1022	Q1014-D1018 PolarHBondContact O-N 3.41Å; Q1015-D1018 PolarHBondContact O-N 3.46Å; D1018-K1020 VanDerWaalsContact C-N 3.31Å; D1018-K1020 PolarHBondContact O-N 3.34Å; D1018-N1021 PolarHBondContact O-N 3.31Å; D1018-L1022 PolarHBondContact O-N 2.92Å
1019	D	57.5	Low	59.6	Low	110 Å²	110	128.2 Å²	128.2	59%	0.588	61%	0.613	S	S	*	*	H	α-helix	trans	-65.5	-32.2	173.3	-76.1	-19.7	0	0	0	112.7	Q1015 N1021 S1023	Q1015-D1019 WeakPolarHBondContact O-CB 3.38Å; Q1015-D1019 PolarHBondContact O-N 2.94Å; D1019-N1021 VanDerWaalsContact C-N 3.34Å; D1019-S1023 PolarHBondContact O-N 2.86Å; D1019-S1023 PolarHBondContact O-OG 3.06Å
1020	K	56.1	Low	58.8	Low	150 Å²	150	126.7 Å²	126.7	65%	0.652	62%	0.615	S	S	*	*	H	α-helix	trans	-72.3	-23.7	171.2	-81.3	178.6	-179.9	173.4	0	113.6	S1016 K1017 D1018 S1023	S1016-K1020 WeakPolarHBondContact O-CB 3.5Å; S1016-K1020 WeakPolarHBondContact O-CG 3.49Å; S1016-K1020 PolarHBondContact O-N 3.25Å; K1017-K1020 PolarHBondContact O-N 3.13Å; D1018-K1020 VanDerWaalsContact C-N 3.31Å; D1018-K1020 PolarHBondContact O-N 3.34Å; K1020-S1023 WeakPolarHBondContact CA-OG 3.4Å; K1020-S1023 PolarHBondContact O-OG 3.28Å
1021	N	53.3	Low	58.1	Low	101 Å²	101	125.8 Å²	125.8	54%	0.54	62%	0.618	S	S	.	*	H	α-helix	trans	-86	-28.7	174.6	-79.2	-31.9	0	0	0	112.6	K1017 D1018 D1019 S1023	K1017-N1021 PolarHBondContact O-N 3.41Å; K1017-N1021 VanDerWaalsContact O-N 3.13Å; K1017-N1021 PolarHBondContact O-ND2 3.26Å; D1018-N1021 PolarHBondContact O-N 3.31Å; D1019-N1021 VanDerWaalsContact C-N 3.34Å; N1021-S1023 VanDerWaalsContact C-N 3.32Å
1022	L	53.3	Low	57	Low	144 Å²	144	128 Å²	128	75%	0.754	63%	0.631	S	S	*	*	H	α-helix	trans	-74.1	-19.3	172.5	-83.1	150.8	0	0	0	113.7	D1018	D1018-L1022 PolarHBondContact O-N 2.92Å
1023	S	50.5	Low	56	Low	87 Å²	87	129.1 Å²	129.1	61%	0.608	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	5.5	-179.8	49.5	0	0	0	0	115	D1019 K1020 N1021 P1025	D1019-S1023 PolarHBondContact O-N 2.86Å; D1019-S1023 PolarHBondContact O-OG 3.06Å; K1020-S1023 WeakPolarHBondContact CA-OG 3.4Å; K1020-S1023 PolarHBondContact O-OG 3.28Å; N1021-S1023 VanDerWaalsContact C-N 3.32Å; S1023-P1025 WeakPolarHBondContact O-CD 3.44Å
1024	K	46.8	Very low	55.1	Low	152 Å²	152	130.4 Å²	130.4	66%	0.661	65%	0.646	S	S	*	*	S	Bend	trans	-80.3	117.2	168.3	-74.2	-179.1	-179.3	170.1	0	109.6	K1026	K1024-K1026 PolarHBondContact O-N 3.36Å
1025	P	49.3	Very low	54.3	Low	113 Å²	113	134.2 Å²	134.2	73%	0.734	67%	0.667	S	S	*	*			trans	-66.7	130.9	174.1	28	-30.7	0	0	0	108.6	S1023 K1027	S1023-P1025 WeakPolarHBondContact O-CD 3.44Å; P1025-K1027 PolarHBondContact O-N 3.08Å; P1025-K1027 VanDerWaalsContact O-N 3.08Å
1026	K	49.1	Very low	53.4	Low	214 Å²	214	134.5 Å²	134.5	93%	0.93	67%	0.672	S	S	*	*			trans	-54.7	115.3	166.6	-74	-179.1	176.7	178.4	0	107.9	K1024	K1024-K1026 PolarHBondContact O-N 3.36Å
1027	K	43	Very low	52.7	Low	276 Å²	276	141.7 Å²	141.7	100%	1.2	70%	0.698	S	S	*	*			trans	-103	0	160.9	-89.7	-170.5	175.1	-177.5	0	108.6	P1025	P1025-K1027 PolarHBondContact O-N 3.08Å; P1025-K1027 VanDerWaalsContact O-N 3.08Å

Retrieved 1,027 of 1,027 residues in 650.1 ms (Link to these results)

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