A0A077Z8V0_TRITR Loading...

Arf GAP with GTPase, ANK repeat and PH

AlphaFold DB , UniProt , Accession A0A077Z8V0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 843 aa.

						>A0A077Z8V0_TRITR|A0A077Z8V0
MSRQFSYASASTVSEQIHQEIQRFESVHPCIYAVYDLIELISDALIAQQIRDNVVRIEDSFVNSQEWTCSRAVPELRLGLLGSLSSGKSSLVHRYLTGTYINEESPEGGRFKKEIVIDGQPYLLLIREEGGPPEQQFTHWVDAVIFVFSLKDETSFNAVYHYYAKMAHYRNTADIPLVLVGTQDAITEGSARAIDDSRARKLANDLKRCGYYETCAIYGHNVERVFRDACYKIINHRIQEQQAAVQPMGGGMNPQTGSSCPTTPSVHPGRMYTSSQAVSQSACSAHHKDCIAVKYSSVIVAVGTFVLLSRSVVGGSRSSAQLSRIQGSAGTFLCLQRRLVLLQDPNFRQTFVSPSVCSSRDRNLHMESTENISILTPASTPNAQRKNRRISNIFNRKDDERPKNNGEMVTPGIGEGRAIPVKQGLVYKRSSKALNKEWKKKYVCLYSDGRLAYYPSLKDYMENVHGKEVLLGSTTVKVPGKKPQHVSRLMMQSVTVNGDAPVSFESRDSGLGLNAFETAVHGKASTSADVDAFGGKRPLLFKGERDEWVQAIERQILSCLLSNETDKRHFKGRESRDLITTLRKAPGNSFCADCGCPNPDWASLNLGALICIQCSGIHRNLGSHISKVRSLDLDEWPLEHVWVLQALGNELVNSVWEFDIGSRENSRLRFTPPLFRETKEQWIRAKYENKEFLAAVPVGNVPLTELLMEAICKQDLPSVFLLLAHCDSRMVNATLSSRDRRTPLHLACAVGNPIIAQLLIWFNADPKALDQEGRSALWYAQNSNSSECVKIIRQNGCSFEVQSDEGSGGDSRSRQASYCQSSSDGDCSKACGSVFENLPASVI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	43.7	Very low	241 Å²	241	139.3 Å²	139.3	100%	1.187	73%	0.73	S	S	*	*				0	104.6	0	-72.1	176.7	175.1	0	0	107.9	R3	M1-R3 PolarHBondContact O-N 3.08Å
2	S	30.3	Very low	46.6	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	70%	0.695	S	S	*	*			trans	-83.7	114.7	-161.9	-43.3	0	0	0	0	111.5	Q4	S2-Q4 PolarHBondContact O-N 2.76Å
3	R	33.8	Very low	49.2	Very low	220 Å²	220	123.2 Å²	123.2	83%	0.83	65%	0.65	S	S	*	*			trans	-74.2	109.6	172.2	-76.5	-176.2	174.3	177.4	-1.6	109.6	M1 F5	M1-R3 PolarHBondContact O-N 3.08Å; R3-F5 HydrophobicContact CB-CD2 4.49Å; R3-F5 PolarHBondContact O-N 3.49Å; R3-F5 VanDerWaalsContact O-N 3.15Å
4	Q	29.6	Very low	51.7	Low	195 Å²	195	116.7 Å²	116.7	91%	0.911	62%	0.62	S	S	*	*			trans	-67.9	103.9	162.5	-71.7	173.7	-28.3	0	0	108.4	S2 S6	S2-Q4 PolarHBondContact O-N 2.76Å; Q4-S6 PolarHBondContact O-N 2.84Å
5	F	37	Very low	53.8	Low	171 Å²	171	116.3 Å²	116.3	75%	0.75	61%	0.613	S	S	*	*			trans	-82.2	106.9	158.7	-90.5	-87.5	0	0	0	107.4	R3 Y7	R3-F5 HydrophobicContact CB-CD2 4.49Å; R3-F5 PolarHBondContact O-N 3.49Å; R3-F5 VanDerWaalsContact O-N 3.15Å; F5-Y7 PolarHBondContact O-N 2.87Å
6	S	35.5	Very low	55.5	Low	113 Å²	113	111.9 Å²	111.9	79%	0.79	59%	0.588	S	S	*	*			trans	-68.9	114.1	171.6	52.5	0	0	0	0	109.2	Q4 A8	Q4-S6 PolarHBondContact O-N 2.84Å; S6-A8 PolarHBondContact O-N 3.16Å; S6-A8 VanDerWaalsContact O-N 3.08Å
7	Y	38.4	Very low	57.1	Low	232 Å²	232	105.4 Å²	105.4	91%	0.91	55%	0.554	S	S	*	*			trans	-60.4	110.4	164.5	-78.3	-98.2	0	0	0	108.4	F5 S9	F5-Y7 PolarHBondContact O-N 2.87Å; Y7-S9 PolarHBondContact O-N 3.01Å
8	A	48.7	Very low	58.6	Low	59 Å²	59	105.2 Å²	105.2	49%	0.488	55%	0.55	S	S	.	.			trans	-63.8	131.8	167.2	0	0	0	0	0	108.2	S6 V13	S6-A8 PolarHBondContact O-N 3.16Å; S6-A8 VanDerWaalsContact O-N 3.08Å; A8-V13 HydrophobicContact CB-CG2 4.47Å
9	S	60.3	Low	59.9	Low	69 Å²	69	105.7 Å²	105.7	48%	0.483	55%	0.549	S	S	.	.			trans	-64.4	144.5	174.5	44.3	0	0	0	0	110	Y7 S11 T12	Y7-S9 PolarHBondContact O-N 3.01Å; S9-S11 PolarHBondContact O-N 2.87Å; S9-S11 PolarHBondContact OG-OG 2.72Å; S9-T12 WeakPolarHBondContact O-CB 2.76Å; S9-T12 PolarHBondContact O-N 2.92Å; S9-T12 PolarHBondContact OG-OG1 3.34Å
10	A	62.6	Low	60.9	Low	45 Å²	45	100.8 Å²	100.8	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-53.7	-29.4	-177.7	0	0	0	0	0	113.3	T12 V13 S14	A10-T12 PolarHBondContact O-N 3.29Å; A10-V13 PolarHBondContact O-N 3.01Å; A10-S14 PolarHBondContact O-N 2.74Å
11	S	70.3	Confident	61.9	Low	65 Å²	65	96.8 Å²	96.8	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-55.1	-44.6	171.6	56.9	0	0	0	0	113.4	S9 V13 S14 E15	S9-S11 PolarHBondContact O-N 2.87Å; S9-S11 PolarHBondContact OG-OG 2.72Å; S11-V13 VanDerWaalsContact C-N 3.33Å; S11-V13 PolarHBondContact O-N 3.09Å; S11-S14 PolarHBondContact O-N 2.68Å; S11-E15 WeakPolarHBondContact O-CG 3.37Å; S11-E15 PolarHBondContact O-N 3.45Å
12	T	78.6	Confident	64.2	Low	51 Å²	51	91.2 Å²	91.2	31%	0.313	47%	0.473	S	S	.	.	H	α-helix	trans	-71.3	-30.7	-177.1	-48.9	0	0	0	0	111.8	S9 A10 Q16	S9-T12 WeakPolarHBondContact O-CB 2.76Å; S9-T12 PolarHBondContact O-N 2.92Å; S9-T12 PolarHBondContact OG-OG1 3.34Å; A10-T12 PolarHBondContact O-N 3.29Å; T12-Q16 WeakPolarHBondContact O-CG 3.33Å; T12-Q16 PolarHBondContact O-N 3.49Å
13	V	81.1	Confident	66.6	Low	18 Å²	18	88.8 Å²	88.8	11%	0.109	45%	0.445	C	S	.	.	H	α-helix	trans	-71	-45.8	174.2	-176	0	0	0	0	110	A8 A10 S11 E15 Q16 I17 V73 P121	A8-V13 HydrophobicContact CB-CG2 4.47Å; A10-V13 PolarHBondContact O-N 3.01Å; S11-V13 VanDerWaalsContact C-N 3.33Å; S11-V13 PolarHBondContact O-N 3.09Å; V13-E15 PolarHBondContact O-N 2.76Å; V13-Q16 PolarHBondContact O-N 2.97Å; V13-I17 HydrophobicContact CG1-CD1 3.97Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.48Å; V13-I17 PolarHBondContact O-N 3.21Å; V13-V73 HydrophobicContact CG1-CG1 4.5Å; V13-V73 HydrophobicContact CG1-CG2 4.3Å; V13-P121 HydrophobicContact CB-CG 3.99Å; V13-P121 HydrophobicContact CG1-CG 3.96Å
14	S	84.2	Confident	68.7	Low	33 Å²	33	78.6 Å²	78.6	23%	0.231	41%	0.407	C	S	.	.	H	α-helix	trans	-58.5	-44.7	174.4	-179.1	0	0	0	0	112.2	A10 S11 Q16 I17 H18 E114	A10-S14 PolarHBondContact O-N 2.74Å; S11-S14 PolarHBondContact O-N 2.68Å; S14-Q16 PolarHBondContact O-N 3.3Å; S14-I17 PolarHBondContact O-N 2.98Å; S14-H18 WeakPolarHBondContact O-CB 3.12Å; S14-H18 PolarHBondContact O-N 3.49Å; S14-E114 WeakPolarHBondContact CA-OE1 3.24Å; S14-E114 VanDerWaalsContact CB-OE1 3.23Å; S14-E114 WeakPolarHBondContact CB-OE1 3.3Å; S14-E114 PolarHBondContact OG-OE1 3.45Å
15	E	82.4	Confident	71.1	Confident	111 Å²	111	72.5 Å²	72.5	52%	0.519	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-42.5	175.2	-76.1	169.2	-167.4	0	0	112.9	S11 V13 H18 Q19	S11-E15 WeakPolarHBondContact O-CG 3.37Å; S11-E15 PolarHBondContact O-N 3.45Å; V13-E15 PolarHBondContact O-N 2.76Å; E15-H18 PolarHBondContact O-N 3.34Å; E15-Q19 VanDerWaalsContact O-CG 3.31Å; E15-Q19 WeakPolarHBondContact O-CG 3.12Å; E15-Q19 PolarHBondContact O-N 3.03Å; E15-Q19 VanDerWaalsContact O-N 3.07Å
16	Q	81.2	Confident	73	Confident	46 Å²	46	68 Å²	68	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-42.7	175.8	-74.1	176.7	22.1	0	0	112	T12 V13 S14 Q19 E20 S70 V73	T12-Q16 WeakPolarHBondContact O-CG 3.33Å; T12-Q16 PolarHBondContact O-N 3.49Å; V13-Q16 PolarHBondContact O-N 2.97Å; S14-Q16 PolarHBondContact O-N 3.3Å; Q16-Q19 PolarHBondContact O-N 3.25Å; Q16-E20 PolarHBondContact O-N 3.06Å; Q16-E20 VanDerWaalsContact O-N 3.15Å; Q16-S70 VanDerWaalsContact OE1-CB 3.26Å; Q16-S70 VanDerWaalsContact OE1-N 3.1Å; Q16-S70 PolarHBondContact OE1-OG 3.44Å; Q16-V73 HydrophobicContact CB-CG2 4.11Å
17	I	83	Confident	75.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-46.6	175.6	-69.2	165.6	0	0	0	110.3	V13 S14 Q19 E20 I21 V73 E114 P121 L123	V13-I17 HydrophobicContact CG1-CD1 3.97Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.48Å; V13-I17 PolarHBondContact O-N 3.21Å; S14-I17 PolarHBondContact O-N 2.98Å; I17-Q19 PolarHBondContact O-N 3.18Å; I17-E20 PolarHBondContact O-N 3.45Å; I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 2.81Å; I17-V73 HydrophobicContact CD1-CG1 3.95Å; I17-V73 HydrophobicContact CG1-CG1 3.5Å; I17-E114 HydrophobicContact CG2-CB 3.77Å; I17-E114 HydrophobicContact CG2-CG 3.96Å; I17-P121 HydrophobicContact CD1-CB 3.94Å; I17-P121 HydrophobicContact CD1-CG 4.43Å; I17-L123 HydrophobicContact CG1-CB 4.26Å; I17-L123 HydrophobicContact CG2-CD1 4.23Å
18	H	84.5	Confident	76.8	Confident	103 Å²	103	54.4 Å²	54.4	48%	0.477	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-42.6	-179.1	-167.8	81.5	0	0	0	112.5	S14 E15 E20 I21 Q22	S14-H18 WeakPolarHBondContact O-CB 3.12Å; S14-H18 PolarHBondContact O-N 3.49Å; E15-H18 PolarHBondContact O-N 3.34Å; H18-E20 VanDerWaalsContact C-N 3.34Å; H18-E20 PolarHBondContact O-N 3.43Å; H18-I21 PolarHBondContact O-N 2.86Å; H18-Q22 WeakPolarHBondContact O-CB 3.38Å; H18-Q22 PolarHBondContact O-N 3.15Å
19	Q	82	Confident	78.3	Confident	115 Å²	115	55.8 Å²	55.8	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-40.1	176.1	-72.4	172.6	23.7	0	0	112.3	E15 Q16 I17 Q22 R23	E15-Q19 VanDerWaalsContact O-CG 3.31Å; E15-Q19 WeakPolarHBondContact O-CG 3.12Å; E15-Q19 PolarHBondContact O-N 3.03Å; E15-Q19 VanDerWaalsContact O-N 3.07Å; Q16-Q19 PolarHBondContact O-N 3.25Å; I17-Q19 PolarHBondContact O-N 3.18Å; Q19-Q22 PolarHBondContact O-N 3.17Å; Q19-R23 PolarHBondContact O-N 3.37Å
20	E	79.9	Confident	79.3	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.028	31%	0.311	C	S	.	.	H	α-helix	trans	-71.9	-36.5	178	177.4	55.7	-166.1	0	0	112.8	Q16 I17 H18 R23 F24 T68 C69 K112	Q16-E20 PolarHBondContact O-N 3.06Å; Q16-E20 VanDerWaalsContact O-N 3.15Å; I17-E20 PolarHBondContact O-N 3.45Å; H18-E20 VanDerWaalsContact C-N 3.34Å; H18-E20 PolarHBondContact O-N 3.43Å; E20-R23 PolarHBondContact O-N 3.18Å; E20-R23 IonicContact OE1-CZ 3.53Å; E20-R23 IonicContact OE1-NE 3.54Å; E20-R23 IonicContact OE1-NH2 2.77Å; E20-R23 PolarHBondContact OE1-NH2 3.21Å; E20-R23 IonicContact OE2-CZ 2.79Å; E20-R23 VanDerWaalsContact OE2-CZ 3.25Å; E20-R23 IonicContact OE2-NE 3.31Å; E20-R23 PolarHBondContact OE2-NE 2.76Å; E20-R23 IonicContact OE2-NH2 2.75Å; E20-R23 PolarHBondContact OE2-NH2 2.9Å; E20-F24 WeakPolarHBondContact O-CB 3.27Å; E20-F24 PolarHBondContact O-N 3.04Å; E20-T68 PolarHBondContact OE2-OG1 3.23Å; E20-C69 VanDerWaalsContact CB-SG 3.56Å; E20-K112 HydrophobicContact CG-CD 4.4Å; E20-K112 IonicContact OE1-NZ 3.16Å; E20-K112 PolarHBondContact OE1-NZ 2.97Å
21	I	82.1	Confident	80.2	Confident	18 Å²	18	55.3 Å²	55.3	9%	0.092	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-46.4	171.5	-66.8	164.9	0	0	0	109.8	I17 H18 R23 F24 E25 K112 E114 L123	I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 2.81Å; H18-I21 PolarHBondContact O-N 2.86Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 2.55Å; I21-F24 WeakPolarHBondContact O-CB 3.36Å; I21-F24 PolarHBondContact O-N 3.31Å; I21-E25 HydrophobicContact CG2-CG 4.21Å; I21-E25 WeakPolarHBondContact O-CB 3.31Å; I21-E25 WeakPolarHBondContact O-CG 3.48Å; I21-E25 PolarHBondContact O-N 2.87Å; I21-K112 HydrophobicContact CG1-CB 4.03Å; I21-E114 HydrophobicContact CD1-CB 4.09Å; I21-L123 HydrophobicContact CG1-CD1 4.28Å
22	Q	82.8	Confident	80.6	Confident	123 Å²	123	57.3 Å²	57.3	58%	0.575	30%	0.297	S	S	*	.	H	α-helix	trans	-61.6	-40.6	177.7	-171	-179.4	8.8	0	0	112.1	H18 Q19 S26	H18-Q22 WeakPolarHBondContact O-CB 3.38Å; H18-Q22 PolarHBondContact O-N 3.15Å; Q19-Q22 PolarHBondContact O-N 3.17Å; Q22-S26 WeakPolarHBondContact O-CB 3.35Å; Q22-S26 PolarHBondContact O-N 2.79Å
23	R	80.7	Confident	80.9	Confident	71 Å²	71	57 Å²	57	27%	0.268	30%	0.299	S	S	.	.	H	α-helix	trans	-59.5	-49.4	173.6	-170.9	-178.8	72.7	150	-2.5	110.7	Q19 E20 I21 S26 F61 E66	Q19-R23 PolarHBondContact O-N 3.37Å; E20-R23 PolarHBondContact O-N 3.18Å; E20-R23 IonicContact OE1-CZ 3.53Å; E20-R23 IonicContact OE1-NE 3.54Å; E20-R23 IonicContact OE1-NH2 2.77Å; E20-R23 PolarHBondContact OE1-NH2 3.21Å; E20-R23 IonicContact OE2-CZ 2.79Å; E20-R23 VanDerWaalsContact OE2-CZ 3.25Å; E20-R23 IonicContact OE2-NE 3.31Å; E20-R23 PolarHBondContact OE2-NE 2.76Å; E20-R23 IonicContact OE2-NH2 2.75Å; E20-R23 PolarHBondContact OE2-NH2 2.9Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 2.55Å; R23-S26 PolarHBondContact O-N 2.87Å; R23-S26 PolarHBondContact O-OG 2.76Å; R23-F61 HydrophobicContact CG-CZ 4.47Å; R23-E66 PolarHBondContact NH1-O 3.32Å; R23-E66 PolarHBondContact NH2-O 3.34Å; R23-E66 VanDerWaalsContact NH2-O 3.14Å
24	F	77.9	Confident	81.1	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-49.3	-179.4	-180	-97.1	0	0	0	112.8	E20 I21 S26 V27 H28 V62 R110 K112	E20-F24 WeakPolarHBondContact O-CB 3.27Å; E20-F24 PolarHBondContact O-N 3.04Å; I21-F24 WeakPolarHBondContact O-CB 3.36Å; I21-F24 PolarHBondContact O-N 3.31Å; F24-S26 VanDerWaalsContact C-N 3.28Å; F24-S26 PolarHBondContact O-N 2.7Å; F24-V27 PolarHBondContact O-N 3.29Å; F24-H28 AromaticContact CE1-CE1 3.4Å; F24-H28 WeakPolarHBondContact CE1-CE1 3.44Å; F24-H28 AromaticContact CE1-ND1 3.86Å; F24-H28 AromaticContact CE1-NE2 3.67Å; F24-H28 AromaticContact CE2-CE1 3.5Å; F24-H28 AromaticContact CZ-CE1 3.06Å; F24-H28 WeakPolarHBondContact CZ-CE1 3.18Å; F24-H28 AromaticContact CZ-ND1 3.91Å; F24-H28 AromaticContact CZ-NE2 3.48Å; F24-H28 WeakPolarHBondContact CZ-NE2 3.27Å; F24-H28 PolarHBondContact O-N 2.86Å; F24-H28 PolarHBondContact O-ND1 3.33Å; F24-V62 HydrophobicContact CE2-CB 4.19Å; F24-V62 HydrophobicContact CE2-CG1 3.8Å; F24-V62 HydrophobicContact CE2-CG2 3.6Å; F24-V62 HydrophobicContact CZ-CG1 4.37Å; F24-V62 HydrophobicContact CZ-CG2 4.3Å; F24-R110 WeakPolarHBondContact CZ-O 3.43Å; F24-K112 HydrophobicContact CB-CD 3.96Å; F24-K112 HydrophobicContact CB-CG 4.44Å; F24-K112 HydrophobicContact CD1-CB 4.16Å; F24-K112 HydrophobicContact CD1-CD 4.37Å; F24-K112 HydrophobicContact CD1-CG 3.95Å; F24-K112 HydrophobicContact CD2-CD 3.76Å; F24-K112 HydrophobicContact CD2-CG 3.97Å; F24-K112 HydrophobicContact CE1-CG 4.13Å; F24-K112 HydrophobicContact CE2-CD 4.28Å; F24-K112 HydrophobicContact CE2-CG 4.1Å; F24-K112 HydrophobicContact CG-CB 4.39Å; F24-K112 HydrophobicContact CG-CD 3.78Å; F24-K112 HydrophobicContact CG-CG 3.86Å; F24-K112 HydrophobicContact CZ-CG 4.17Å
25	E	79.2	Confident	81.1	Confident	67 Å²	67	58 Å²	58	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-26.6	179.7	-68.4	-171.9	151.7	0	0	113	I21 V27 P29 R488	I21-E25 HydrophobicContact CG2-CG 4.21Å; I21-E25 WeakPolarHBondContact O-CB 3.31Å; I21-E25 WeakPolarHBondContact O-CG 3.48Å; I21-E25 PolarHBondContact O-N 2.87Å; E25-V27 VanDerWaalsContact C-N 3.27Å; E25-V27 PolarHBondContact O-N 3.45Å; E25-P29 WeakPolarHBondContact O-CD 3.34Å; E25-R488 IonicContact OE1-CZ 2.7Å; E25-R488 VanDerWaalsContact OE1-CZ 3.3Å; E25-R488 IonicContact OE1-NH1 3.16Å; E25-R488 PolarHBondContact OE1-NH1 2.92Å; E25-R488 VanDerWaalsContact OE1-NH1 3.1Å; E25-R488 IonicContact OE1-NH2 2.65Å; E25-R488 PolarHBondContact OE1-NH2 3.23Å; E25-R488 IonicContact OE2-CZ 3Å; E25-R488 IonicContact OE2-NH1 2.71Å; E25-R488 PolarHBondContact OE2-NH1 3.23Å; E25-R488 IonicContact OE2-NH2 2.6Å
26	S	78.6	Confident	81.3	Confident	77 Å²	77	57.8 Å²	57.8	54%	0.538	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-24.8	175.1	75.9	0	0	0	0	113.7	Q22 R23 F24	Q22-S26 WeakPolarHBondContact O-CB 3.35Å; Q22-S26 PolarHBondContact O-N 2.79Å; R23-S26 PolarHBondContact O-N 2.87Å; R23-S26 PolarHBondContact O-OG 2.76Å; F24-S26 VanDerWaalsContact C-N 3.28Å; F24-S26 PolarHBondContact O-N 2.7Å
27	V	77.8	Confident	81.6	Confident	40 Å²	40	60.8 Å²	60.8	24%	0.242	32%	0.321	C	S	.	.	H	α-helix	trans	-90	-33.3	-176.4	176.9	0	0	0	0	112.2	F24 E25 C30 I31 F61	F24-V27 PolarHBondContact O-N 3.29Å; E25-V27 VanDerWaalsContact C-N 3.27Å; E25-V27 PolarHBondContact O-N 3.45Å; V27-C30 WeakPolarHBondContact O-CA 3.47Å; V27-C30 WeakPolarHBondContact O-CB 3.34Å; V27-C30 PolarHBondContact O-N 3.4Å; V27-I31 HydrophobicContact CG1-CD1 3.88Å; V27-I31 HydrophobicContact CG1-CG1 4.08Å; V27-I31 PolarHBondContact O-N 3.4Å; V27-F61 HydrophobicContact CB-CE1 3.94Å; V27-F61 HydrophobicContact CB-CZ 4.32Å; V27-F61 HydrophobicContact CG1-CD1 4.28Å; V27-F61 HydrophobicContact CG1-CE1 4.1Å; V27-F61 HydrophobicContact CG2-CE1 3.84Å; V27-F61 HydrophobicContact CG2-CE2 4.5Å; V27-F61 HydrophobicContact CG2-CZ 3.7Å
28	H	74.4	Confident	81.8	Confident	20 Å²	20	61 Å²	61	9%	0.093	32%	0.322	C	S	.	.	H	α-helix	trans	-52.9	-46.2	-177.8	-89	47.1	0	0	0	114.8	F24 C30 I31 Y32 R110	F24-H28 AromaticContact CE1-CE1 3.4Å; F24-H28 WeakPolarHBondContact CE1-CE1 3.44Å; F24-H28 AromaticContact CE1-ND1 3.86Å; F24-H28 AromaticContact CE1-NE2 3.67Å; F24-H28 AromaticContact CE2-CE1 3.5Å; F24-H28 AromaticContact CZ-CE1 3.06Å; F24-H28 WeakPolarHBondContact CZ-CE1 3.18Å; F24-H28 AromaticContact CZ-ND1 3.91Å; F24-H28 AromaticContact CZ-NE2 3.48Å; F24-H28 WeakPolarHBondContact CZ-NE2 3.27Å; F24-H28 PolarHBondContact O-N 2.86Å; F24-H28 PolarHBondContact O-ND1 3.33Å; H28-C30 PolarHBondContact O-N 3.02Å; H28-C30 VanDerWaalsContact O-N 3.16Å; H28-I31 PolarHBondContact O-N 2.78Å; H28-Y32 HydrophobicContact CB-CD2 4.44Å; H28-Y32 HydrophobicContact CB-CE2 4.26Å; H28-Y32 AromaticContact CD2-CE2 3.93Å; H28-Y32 VanDerWaalsContact O-CD2 3.22Å; H28-Y32 WeakPolarHBondContact O-CD2 3.48Å; H28-Y32 PolarHBondContact O-N 2.97Å; H28-R110 PolarHBondContact NE2-O 3.05Å
29	P	80.1	Confident	81.9	Confident	87 Å²	87	63 Å²	63	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-58.8	-28.4	176.2	-25.8	34.9	0	0	0	113.8	E25 A33	E25-P29 WeakPolarHBondContact O-CD 3.34Å; P29-A33 WeakPolarHBondContact O-CB 3.4Å; P29-A33 PolarHBondContact O-N 2.73Å
30	C	81.7	Confident	82.3	Confident	83 Å²	83	64.2 Å²	64.2	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-76.3	-38.8	176	-58	0	0	0	0	111.4	V27 H28 A33 V34	V27-C30 WeakPolarHBondContact O-CA 3.47Å; V27-C30 WeakPolarHBondContact O-CB 3.34Å; V27-C30 PolarHBondContact O-N 3.4Å; H28-C30 PolarHBondContact O-N 3.02Å; H28-C30 VanDerWaalsContact O-N 3.16Å; C30-A33 PolarHBondContact O-N 3.41Å; C30-V34 WeakPolarHBondContact O-CG2 3.47Å; C30-V34 PolarHBondContact O-N 2.97Å
31	I	81	Confident	82.8	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.108	35%	0.354	C	S	.	.	H	α-helix	trans	-65.5	-48.3	176.9	-63.7	176.5	0	0	0	110.5	V27 H28 A33 V34 Y35 V54 E58	V27-I31 HydrophobicContact CG1-CD1 3.88Å; V27-I31 HydrophobicContact CG1-CG1 4.08Å; V27-I31 PolarHBondContact O-N 3.4Å; H28-I31 PolarHBondContact O-N 2.78Å; I31-A33 VanDerWaalsContact C-N 3.3Å; I31-A33 PolarHBondContact O-N 2.71Å; I31-V34 WeakPolarHBondContact O-CA 3.21Å; I31-V34 WeakPolarHBondContact O-CB 3.47Å; I31-V34 PolarHBondContact O-N 3.23Å; I31-Y35 HydrophobicContact CG2-CD2 4.04Å; I31-Y35 HydrophobicContact CG2-CE2 3.53Å; I31-Y35 PolarHBondContact O-N 3.18Å; I31-Y35 VanDerWaalsContact O-N 3.13Å; I31-V54 HydrophobicContact CG2-CG1 4.13Å; I31-E58 HydrophobicContact CD1-CB 4.41Å; I31-E58 HydrophobicContact CD1-CG 4.27Å
32	Y	80.5	Confident	83.1	Confident	108 Å²	108	72.1 Å²	72.1	42%	0.424	39%	0.394	S	S	.	.	H	α-helix	trans	-60.1	-39.1	176.4	-71.5	-62.2	0	0	0	112.6	H28 V34 Y35 D36	H28-Y32 HydrophobicContact CB-CD2 4.44Å; H28-Y32 HydrophobicContact CB-CE2 4.26Å; H28-Y32 AromaticContact CD2-CE2 3.93Å; H28-Y32 VanDerWaalsContact O-CD2 3.22Å; H28-Y32 WeakPolarHBondContact O-CD2 3.48Å; H28-Y32 PolarHBondContact O-N 2.97Å; Y32-V34 PolarHBondContact O-N 2.99Å; Y32-Y35 HydrophobicContact CD1-CD2 4.3Å; Y32-Y35 PolarHBondContact O-N 3Å; Y32-D36 PolarHBondContact O-N 3.04Å
33	A	83	Confident	83.6	Confident	43 Å²	43	69.8 Å²	69.8	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-22.7	173.1	0	0	0	0	0	113.6	P29 C30 I31 L37	P29-A33 WeakPolarHBondContact O-CB 3.4Å; P29-A33 PolarHBondContact O-N 2.73Å; C30-A33 PolarHBondContact O-N 3.41Å; I31-A33 VanDerWaalsContact C-N 3.3Å; I31-A33 PolarHBondContact O-N 2.71Å; A33-L37 WeakPolarHBondContact O-CD1 3.43Å; A33-L37 WeakPolarHBondContact O-CG 3.39Å; A33-L37 PolarHBondContact O-N 3.4Å
34	V	85.8	Confident	84	Confident	56 Å²	56	70.2 Å²	70.2	34%	0.339	40%	0.404	S	S	.	.	H	α-helix	trans	-77.5	-40	170.3	-177.8	0	0	0	0	111.1	C30 I31 Y32 L37 I38 V54	C30-V34 WeakPolarHBondContact O-CG2 3.47Å; C30-V34 PolarHBondContact O-N 2.97Å; I31-V34 WeakPolarHBondContact O-CA 3.21Å; I31-V34 WeakPolarHBondContact O-CB 3.47Å; I31-V34 PolarHBondContact O-N 3.23Å; Y32-V34 PolarHBondContact O-N 2.99Å; V34-L37 WeakPolarHBondContact O-CB 3.4Å; V34-L37 PolarHBondContact O-N 3.23Å; V34-L37 VanDerWaalsContact O-N 3.12Å; V34-I38 HydrophobicContact CG1-CD1 4.04Å; V34-I38 HydrophobicContact CG1-CG1 4.37Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.4Å; V34-I38 PolarHBondContact O-N 3.09Å; V34-V54 HydrophobicContact CG1-CG2 3.64Å
35	Y	85.3	Confident	84.6	Confident	17 Å²	17	75.5 Å²	75.5	7%	0.067	43%	0.432	C	S	.	.	H	α-helix	trans	-61	-43.4	173.2	-67.6	-59.2	0	0	0	111.8	I31 Y32 L37 I38 E39 R51 V54 V55 E58	I31-Y35 HydrophobicContact CG2-CD2 4.04Å; I31-Y35 HydrophobicContact CG2-CE2 3.53Å; I31-Y35 PolarHBondContact O-N 3.18Å; I31-Y35 VanDerWaalsContact O-N 3.13Å; Y32-Y35 HydrophobicContact CD1-CD2 4.3Å; Y32-Y35 PolarHBondContact O-N 3Å; Y35-L37 PolarHBondContact O-N 3.07Å; Y35-I38 HydrophobicContact CD1-CD1 4.02Å; Y35-I38 WeakPolarHBondContact O-CB 3.47Å; Y35-I38 PolarHBondContact O-N 3.29Å; Y35-I38 VanDerWaalsContact O-N 3.07Å; Y35-E39 PolarHBondContact O-N 2.79Å; Y35-E39 VanDerWaalsContact O-N 3.11Å; Y35-R51 HydrophobicContact CD1-CG 4.45Å; Y35-R51 HydrophobicContact CE1-CG 4.08Å; Y35-V54 HydrophobicContact CD1-CG1 4.5Å; Y35-V54 HydrophobicContact CE1-CB 4.25Å; Y35-V54 HydrophobicContact CE1-CG1 3.83Å; Y35-V54 HydrophobicContact CE2-CG1 4.19Å; Y35-V55 HydrophobicContact CE1-CG2 4.49Å; Y35-V55 WeakPolarHBondContact OH-CG2 3.34Å; Y35-E58 PolarHBondContact OH-OE2 3.4Å
36	D	85	Confident	85.2	Confident	106 Å²	106	76 Å²	76	57%	0.567	44%	0.436	S	S	*	.	H	α-helix	trans	-54.5	-38.6	171.7	-70.1	-16.2	0	0	0	112.3	Y32	Y32-D36 PolarHBondContact O-N 3.04Å
37	L	87.7	Confident	85.7	Confident	109 Å²	109	72.9 Å²	72.9	57%	0.571	42%	0.415	S	S	*	.	H	α-helix	trans	-75.7	-32.4	177.9	-72	169.9	0	0	0	112.8	A33 V34 Y35 E39 L40	A33-L37 WeakPolarHBondContact O-CD1 3.43Å; A33-L37 WeakPolarHBondContact O-CG 3.39Å; A33-L37 PolarHBondContact O-N 3.4Å; V34-L37 WeakPolarHBondContact O-CB 3.4Å; V34-L37 PolarHBondContact O-N 3.23Å; V34-L37 VanDerWaalsContact O-N 3.12Å; Y35-L37 PolarHBondContact O-N 3.07Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-L40 HydrophobicContact CD2-CD1 4.35Å; L37-L40 PolarHBondContact O-N 3.5Å
38	I	88.5	Confident	86.2	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.026	43%	0.425	C	S	.	.	H	α-helix	trans	-65.2	-37.9	175.2	-69.5	162.2	0	0	0	110.5	V34 Y35 L40 I41 A47 I50 R51 V54	V34-I38 HydrophobicContact CG1-CD1 4.04Å; V34-I38 HydrophobicContact CG1-CG1 4.37Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.4Å; V34-I38 PolarHBondContact O-N 3.09Å; Y35-I38 HydrophobicContact CD1-CD1 4.02Å; Y35-I38 WeakPolarHBondContact O-CB 3.47Å; Y35-I38 PolarHBondContact O-N 3.29Å; Y35-I38 VanDerWaalsContact O-N 3.07Å; I38-L40 PolarHBondContact O-N 3.14Å; I38-I41 WeakPolarHBondContact O-CB 3.32Å; I38-I41 PolarHBondContact O-N 3.43Å; I38-A47 HydrophobicContact CG2-CB 4.01Å; I38-A47 WeakPolarHBondContact CG2-O 3.48Å; I38-I50 HydrophobicContact CD1-CB 4.46Å; I38-I50 HydrophobicContact CD1-CG2 3.8Å; I38-I50 HydrophobicContact CG1-CB 4.32Å; I38-I50 HydrophobicContact CG1-CG2 3.74Å; I38-R51 HydrophobicContact CD1-CB 4.37Å; I38-R51 HydrophobicContact CG2-CB 4.45Å; I38-V54 HydrophobicContact CD1-CG2 4.11Å
39	E	86.7	Confident	86.9	Confident	145 Å²	145	79.8 Å²	79.8	68%	0.678	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.7	176.6	-68	-169.6	175.5	0	0	113.9	Y35 L37 I41	Y35-E39 PolarHBondContact O-N 2.79Å; Y35-E39 VanDerWaalsContact O-N 3.11Å; L37-E39 VanDerWaalsContact C-N 3.33Å; E39-I41 VanDerWaalsContact C-N 3.34Å
40	L	89.5	Confident	87.4	Confident	141 Å²	141	78.7 Å²	78.7	74%	0.738	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-4.7	174.5	-60.4	175.4	0	0	0	113.4	L37 I38	L37-L40 HydrophobicContact CD2-CD1 4.35Å; L37-L40 PolarHBondContact O-N 3.5Å; I38-L40 PolarHBondContact O-N 3.14Å
41	I	90	Very high	87.7	Confident	57 Å²	57	76.9 Å²	76.9	29%	0.292	42%	0.415	S	S	.	.			trans	-84.2	116.6	-180	-57.7	178.4	0	0	0	109.5	I38 E39 D43 I46 A47 I50	I38-I41 WeakPolarHBondContact O-CB 3.32Å; I38-I41 PolarHBondContact O-N 3.43Å; E39-I41 VanDerWaalsContact C-N 3.34Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 HydrophobicContact CG2-CB 4.37Å; I41-D43 PolarHBondContact O-N 3.16Å; I41-I46 HydrophobicContact CG2-CB 4.4Å; I41-I46 HydrophobicContact CG2-CG2 4.27Å; I41-A47 HydrophobicContact CB-CB 4.12Å; I41-A47 HydrophobicContact CG2-CB 4.21Å; I41-I50 HydrophobicContact CD1-CD1 3.64Å
42	S	89.6	Confident	87.9	Confident	132 Å²	132	78.9 Å²	78.9	92%	0.923	43%	0.426	S	S	*	.	S	Bend	trans	-72.4	-20.7	-179.4	54.1	0	0	0	0	114.6
43	D	92	Very high	88.2	Confident	74 Å²	74	77.4 Å²	77.4	40%	0.396	43%	0.425	S	S	.	.			trans	-87.2	106.3	174.1	-174.7	-31.8	0	0	0	110.1	I41 L45 I46 A47	I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 HydrophobicContact CG2-CB 4.37Å; I41-D43 PolarHBondContact O-N 3.16Å; D43-L45 VanDerWaalsContact C-N 3.27Å; D43-L45 PolarHBondContact O-N 3.34Å; D43-L45 WeakPolarHBondContact OD1-CB 3.45Å; D43-L45 PolarHBondContact OD1-N 3.11Å; D43-I46 HydrophobicContact CB-CB 4.12Å; D43-I46 HydrophobicContact CB-CD1 4.08Å; D43-I46 HydrophobicContact CB-CG1 4.2Å; D43-I46 PolarHBondContact O-N 2.82Å; D43-I46 PolarHBondContact OD1-N 2.71Å; D43-I46 VanDerWaalsContact OD1-N 3.16Å; D43-I46 WeakPolarHBondContact OD2-CD1 3.42Å; D43-A47 WeakPolarHBondContact O-CB 3.27Å; D43-A47 PolarHBondContact O-N 3.26Å
44	A	89.3	Confident	88.4	Confident	80 Å²	80	76.2 Å²	76.2	66%	0.661	41%	0.413	S	S	*	.	H	α-helix	trans	-61.8	-29.9	-178.5	0	0	0	0	0	113.9	Q48	A44-Q48 WeakPolarHBondContact O-CB 3.49Å; A44-Q48 PolarHBondContact O-N 3.26Å
45	L	91.4	Very high	88.1	Confident	118 Å²	118	76.1 Å²	76.1	62%	0.618	41%	0.413	S	S	*	.	H	α-helix	trans	-74.3	-43.5	-179.9	-171.6	115.8	0	0	0	110.4	D43 Q48 Q49	D43-L45 VanDerWaalsContact C-N 3.27Å; D43-L45 PolarHBondContact O-N 3.34Å; D43-L45 WeakPolarHBondContact OD1-CB 3.45Å; D43-L45 PolarHBondContact OD1-N 3.11Å; L45-Q48 PolarHBondContact O-N 3.27Å; L45-Q49 WeakPolarHBondContact O-CG 3.38Å; L45-Q49 PolarHBondContact O-N 3.15Å
46	I	91	Very high	87.8	Confident	76 Å²	76	82.6 Å²	82.6	39%	0.39	44%	0.437	S	S	.	.	H	α-helix	trans	-65.6	-44.2	174.4	-64.6	177	0	0	0	110.2	I41 D43 Q48 Q49 I50	I41-I46 HydrophobicContact CG2-CB 4.4Å; I41-I46 HydrophobicContact CG2-CG2 4.27Å; D43-I46 HydrophobicContact CB-CB 4.12Å; D43-I46 HydrophobicContact CB-CD1 4.08Å; D43-I46 HydrophobicContact CB-CG1 4.2Å; D43-I46 PolarHBondContact O-N 2.82Å; D43-I46 PolarHBondContact OD1-N 2.71Å; D43-I46 VanDerWaalsContact OD1-N 3.16Å; D43-I46 WeakPolarHBondContact OD2-CD1 3.42Å; I46-Q48 VanDerWaalsContact C-N 3.33Å; I46-Q48 PolarHBondContact O-N 3.37Å; I46-Q49 PolarHBondContact O-N 3.14Å; I46-I50 HydrophobicContact CG2-CD1 3.65Å; I46-I50 HydrophobicContact CG2-CG1 4.3Å; I46-I50 WeakPolarHBondContact O-CG1 3.36Å; I46-I50 PolarHBondContact O-N 2.87Å
47	A	88.4	Confident	87.5	Confident	13 Å²	13	83 Å²	83	11%	0.107	44%	0.438	C	S	.	.	H	α-helix	trans	-56.6	-46	177	0	0	0	0	0	111.7	I38 I41 D43 I50 R51	I38-A47 HydrophobicContact CG2-CB 4.01Å; I38-A47 WeakPolarHBondContact CG2-O 3.48Å; I41-A47 HydrophobicContact CB-CB 4.12Å; I41-A47 HydrophobicContact CG2-CB 4.21Å; D43-A47 WeakPolarHBondContact O-CB 3.27Å; D43-A47 PolarHBondContact O-N 3.26Å; A47-I50 PolarHBondContact O-N 3.4Å; A47-R51 WeakPolarHBondContact O-CB 3.26Å; A47-R51 PolarHBondContact O-N 3.28Å
48	Q	89.1	Confident	86.9	Confident	98 Å²	98	79 Å²	79	46%	0.458	42%	0.417	S	S	.	.	H	α-helix	trans	-65.7	-44.4	176.8	-171	62.5	39.8	0	0	112.4	A44 L45 I46 I50 R51 D52	A44-Q48 WeakPolarHBondContact O-CB 3.49Å; A44-Q48 PolarHBondContact O-N 3.26Å; L45-Q48 PolarHBondContact O-N 3.27Å; I46-Q48 VanDerWaalsContact C-N 3.33Å; I46-Q48 PolarHBondContact O-N 3.37Å; Q48-I50 VanDerWaalsContact C-N 3.3Å; Q48-I50 PolarHBondContact O-N 2.8Å; Q48-R51 WeakPolarHBondContact O-CB 3.49Å; Q48-R51 PolarHBondContact O-N 3.35Å; Q48-D52 PolarHBondContact NE2-OD1 2.85Å; Q48-D52 VanDerWaalsContact O-CG 3.31Å; Q48-D52 PolarHBondContact O-N 2.85Å
49	Q	90.2	Very high	86	Confident	106 Å²	106	80.3 Å²	80.3	50%	0.495	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-36	178.5	-74.7	179.7	3.1	0	0	112.8	L45 I46 N53	L45-Q49 WeakPolarHBondContact O-CG 3.38Å; L45-Q49 PolarHBondContact O-N 3.15Å; I46-Q49 PolarHBondContact O-N 3.14Å; Q49-N53 PolarHBondContact O-N 2.89Å; Q49-N53 PolarHBondContact O-ND2 3.49Å
50	I	89.1	Confident	85.1	Confident	64 Å²	64	76.8 Å²	76.8	33%	0.328	42%	0.415	S	S	.	.	H	α-helix	trans	-71.3	-43.6	174.7	-62.7	170	0	0	0	109.7	I38 I41 I46 A47 Q48 D52 N53 V54	I38-I50 HydrophobicContact CD1-CB 4.46Å; I38-I50 HydrophobicContact CD1-CG2 3.8Å; I38-I50 HydrophobicContact CG1-CB 4.32Å; I38-I50 HydrophobicContact CG1-CG2 3.74Å; I41-I50 HydrophobicContact CD1-CD1 3.64Å; I46-I50 HydrophobicContact CG2-CD1 3.65Å; I46-I50 HydrophobicContact CG2-CG1 4.3Å; I46-I50 WeakPolarHBondContact O-CG1 3.36Å; I46-I50 PolarHBondContact O-N 2.87Å; A47-I50 PolarHBondContact O-N 3.4Å; Q48-I50 VanDerWaalsContact C-N 3.3Å; Q48-I50 PolarHBondContact O-N 2.8Å; I50-D52 PolarHBondContact O-N 3.12Å; I50-N53 PolarHBondContact O-N 3.34Å; I50-N53 VanDerWaalsContact O-N 3.12Å; I50-V54 HydrophobicContact CG2-CG2 4.29Å; I50-V54 WeakPolarHBondContact O-CG2 3.37Å; I50-V54 PolarHBondContact O-N 2.73Å
51	R	88.1	Confident	84.1	Confident	46 Å²	46	72.8 Å²	72.8	17%	0.174	39%	0.392	C	S	.	.	H	α-helix	trans	-55.2	-51	174.9	-168.1	179	-67.4	-87.4	-2	111.6	Y35 I38 A47 Q48 N53 V54 V55 E107	Y35-R51 HydrophobicContact CD1-CG 4.45Å; Y35-R51 HydrophobicContact CE1-CG 4.08Å; I38-R51 HydrophobicContact CD1-CB 4.37Å; I38-R51 HydrophobicContact CG2-CB 4.45Å; A47-R51 WeakPolarHBondContact O-CB 3.26Å; A47-R51 PolarHBondContact O-N 3.28Å; Q48-R51 WeakPolarHBondContact O-CB 3.49Å; Q48-R51 PolarHBondContact O-N 3.35Å; R51-N53 VanDerWaalsContact C-N 3.26Å; R51-N53 PolarHBondContact O-N 2.83Å; R51-V54 PolarHBondContact O-N 2.86Å; R51-V54 VanDerWaalsContact O-N 3.13Å; R51-V55 WeakPolarHBondContact O-CG2 3.34Å; R51-V55 PolarHBondContact O-N 2.94Å; R51-E107 WeakPolarHBondContact CD-OE1 3.39Å; R51-E107 IonicContact CZ-OE1 2.67Å; R51-E107 IonicContact NE-OE1 2.69Å; R51-E107 IonicContact NH1-OE1 3.31Å; R51-E107 PolarHBondContact NH1-OE1 3.04Å; R51-E107 IonicContact NH1-OE2 3.1Å
52	D	85.6	Confident	82.9	Confident	62 Å²	62	71 Å²	71	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-56.4	-38	176.5	-70.8	0.1	0	0	0	112.6	Q48 I50 R56	Q48-D52 PolarHBondContact NE2-OD1 2.85Å; Q48-D52 VanDerWaalsContact O-CG 3.31Å; Q48-D52 PolarHBondContact O-N 2.85Å; I50-D52 PolarHBondContact O-N 3.12Å; D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.17Å; D52-R56 PolarHBondContact O-N 3.29Å; D52-R56 VanDerWaalsContact O-N 3.12Å
53	N	87.7	Confident	81.2	Confident	77 Å²	77	67.9 Å²	67.9	41%	0.412	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-37.4	177.9	-75.1	-37.5	0	0	0	112.5	Q49 I50 R51 R56 I57	Q49-N53 PolarHBondContact O-N 2.89Å; Q49-N53 PolarHBondContact O-ND2 3.49Å; I50-N53 PolarHBondContact O-N 3.34Å; I50-N53 VanDerWaalsContact O-N 3.12Å; R51-N53 VanDerWaalsContact C-N 3.26Å; R51-N53 PolarHBondContact O-N 2.83Å; N53-R56 PolarHBondContact O-N 3.15Å; N53-R56 PolarHBondContact OD1-NH1 3.36Å; N53-I57 WeakPolarHBondContact O-CD1 3.33Å; N53-I57 VanDerWaalsContact O-CG1 3.28Å; N53-I57 WeakPolarHBondContact O-CG1 3.44Å; N53-I57 PolarHBondContact O-N 3.49Å
54	V	86.3	Confident	79.7	Confident	18 Å²	18	65.5 Å²	65.5	11%	0.109	35%	0.346	C	S	.	.	H	α-helix	trans	-65.2	-44.7	174.3	174.8	0	0	0	0	110.4	I31 V34 Y35 I38 I50 R51 R56 I57 E58	I31-V54 HydrophobicContact CG2-CG1 4.13Å; V34-V54 HydrophobicContact CG1-CG2 3.64Å; Y35-V54 HydrophobicContact CD1-CG1 4.5Å; Y35-V54 HydrophobicContact CE1-CB 4.25Å; Y35-V54 HydrophobicContact CE1-CG1 3.83Å; Y35-V54 HydrophobicContact CE2-CG1 4.19Å; I38-V54 HydrophobicContact CD1-CG2 4.11Å; I50-V54 HydrophobicContact CG2-CG2 4.29Å; I50-V54 WeakPolarHBondContact O-CG2 3.37Å; I50-V54 PolarHBondContact O-N 2.73Å; R51-V54 PolarHBondContact O-N 2.86Å; R51-V54 VanDerWaalsContact O-N 3.13Å; V54-R56 VanDerWaalsContact C-N 3.3Å; V54-R56 PolarHBondContact O-N 2.98Å; V54-I57 PolarHBondContact O-N 3.4Å; V54-I57 VanDerWaalsContact O-N 3.07Å; V54-E58 WeakPolarHBondContact O-CB 3.24Å; V54-E58 PolarHBondContact O-N 2.92Å
55	V	80.3	Confident	77.8	Confident	54 Å²	54	68.4 Å²	68.4	33%	0.327	35%	0.346	S	S	.	.	H	α-helix	trans	-56.5	-43.2	173.1	172	0	0	0	0	111	Y35 R51 I57 E58 D59	Y35-V55 HydrophobicContact CE1-CG2 4.49Å; Y35-V55 WeakPolarHBondContact OH-CG2 3.34Å; R51-V55 WeakPolarHBondContact O-CG2 3.34Å; R51-V55 PolarHBondContact O-N 2.94Å; V55-I57 PolarHBondContact O-N 3.26Å; V55-E58 PolarHBondContact O-N 3.37Å; V55-D59 WeakPolarHBondContact O-CB 3.34Å; V55-D59 PolarHBondContact O-N 2.82Å
56	R	77.9	Confident	75.8	Confident	153 Å²	153	66.6 Å²	66.6	58%	0.577	33%	0.334	S	S	*	.	H	α-helix	trans	-64.7	-36.7	175.1	-72	169.2	-164.6	144.7	7	113.6	D52 N53 V54 S60	D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.17Å; D52-R56 PolarHBondContact O-N 3.29Å; D52-R56 VanDerWaalsContact O-N 3.12Å; N53-R56 PolarHBondContact O-N 3.15Å; N53-R56 PolarHBondContact OD1-NH1 3.36Å; V54-R56 VanDerWaalsContact C-N 3.3Å; V54-R56 PolarHBondContact O-N 2.98Å; R56-S60 WeakPolarHBondContact O-CB 3.4Å; R56-S60 PolarHBondContact O-N 3.42Å
57	I	79.5	Confident	73.8	Confident	116 Å²	116	73.9 Å²	73.9	60%	0.595	36%	0.356	S	S	*	.	H	α-helix	trans	-69.9	-42.5	177.3	-69.7	162.7	0	0	0	110.2	N53 V54 V55 S60 F61	N53-I57 WeakPolarHBondContact O-CD1 3.33Å; N53-I57 VanDerWaalsContact O-CG1 3.28Å; N53-I57 WeakPolarHBondContact O-CG1 3.44Å; N53-I57 PolarHBondContact O-N 3.49Å; V54-I57 PolarHBondContact O-N 3.4Å; V54-I57 VanDerWaalsContact O-N 3.07Å; V55-I57 PolarHBondContact O-N 3.26Å; I57-S60 PolarHBondContact O-N 3.25Å; I57-F61 WeakPolarHBondContact O-CB 3.41Å; I57-F61 PolarHBondContact O-N 3.39Å
58	E	75.3	Confident	72.1	Confident	24 Å²	24	76.1 Å²	76.1	11%	0.112	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-49.8	171.9	-175.3	177.2	170.5	0	0	110.2	I31 Y35 V54 V55 S60 F61 V62	I31-E58 HydrophobicContact CD1-CB 4.41Å; I31-E58 HydrophobicContact CD1-CG 4.27Å; Y35-E58 PolarHBondContact OH-OE2 3.4Å; V54-E58 WeakPolarHBondContact O-CB 3.24Å; V54-E58 PolarHBondContact O-N 2.92Å; V55-E58 PolarHBondContact O-N 3.37Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.08Å; E58-F61 PolarHBondContact O-N 3.14Å; E58-F61 VanDerWaalsContact O-N 3.13Å; E58-V62 HydrophobicContact CG-CG2 4.03Å; E58-V62 WeakPolarHBondContact O-CB 3.34Å; E58-V62 WeakPolarHBondContact O-CG2 3.44Å; E58-V62 PolarHBondContact O-N 3.25Å
59	D	68.6	Low	70.6	Confident	33 Å²	33	73.2 Å²	73.2	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-56	-43.1	174.9	-100.2	74.6	0	0	0	112.9	V55 N63 R110	V55-D59 WeakPolarHBondContact O-CB 3.34Å; V55-D59 PolarHBondContact O-N 2.82Å; D59-N63 WeakPolarHBondContact O-CB 3.43Å; D59-N63 VanDerWaalsContact O-CG 3.3Å; D59-N63 PolarHBondContact O-N 3.16Å; D59-N63 PolarHBondContact O-ND2 3.44Å; D59-N63 PolarHBondContact OD2-ND2 3.35Å; D59-N63 VanDerWaalsContact OD2-ND2 3.08Å; D59-R110 VanDerWaalsContact CG-CZ 3.46Å; D59-R110 IonicContact OD1-CZ 3.99Å; D59-R110 IonicContact OD1-NH1 3.76Å; D59-R110 PolarHBondContact OD1-NH1 3.43Å; D59-R110 IonicContact OD1-NH2 2.82Å; D59-R110 PolarHBondContact OD1-NH2 2.89Å; D59-R110 IonicContact OD2-CZ 2.99Å; D59-R110 VanDerWaalsContact OD2-CZ 3.23Å; D59-R110 IonicContact OD2-NH1 2.85Å; D59-R110 PolarHBondContact OD2-NH1 3.27Å; D59-R110 IonicContact OD2-NH2 2.75Å; D59-R110 PolarHBondContact OD2-NH2 3.49Å
60	S	69.2	Low	69.2	Low	70 Å²	70	70.5 Å²	70.5	49%	0.49	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-55.5	173.3	-165.5	0	0	0	0	110.1	R56 I57 E58 V62 N63 S64	R56-S60 WeakPolarHBondContact O-CB 3.4Å; R56-S60 PolarHBondContact O-N 3.42Å; I57-S60 PolarHBondContact O-N 3.25Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.08Å; S60-V62 VanDerWaalsContact C-N 3.34Å; S60-V62 PolarHBondContact O-N 3.4Å; S60-N63 PolarHBondContact O-N 3.38Å; S60-S64 WeakPolarHBondContact O-CA 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.11Å; S60-S64 PolarHBondContact O-N 2.93Å; S60-S64 PolarHBondContact O-OG 3.38Å
61	F	68.6	Low	68	Low	58 Å²	58	79.8 Å²	79.8	25%	0.254	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-34.3	-174	-171.2	-100.3	0	0	0	113.7	R23 V27 I57 E58	R23-F61 HydrophobicContact CG-CZ 4.47Å; V27-F61 HydrophobicContact CB-CE1 3.94Å; V27-F61 HydrophobicContact CB-CZ 4.32Å; V27-F61 HydrophobicContact CG1-CD1 4.28Å; V27-F61 HydrophobicContact CG1-CE1 4.1Å; V27-F61 HydrophobicContact CG2-CE1 3.84Å; V27-F61 HydrophobicContact CG2-CE2 4.5Å; V27-F61 HydrophobicContact CG2-CZ 3.7Å; I57-F61 WeakPolarHBondContact O-CB 3.41Å; I57-F61 PolarHBondContact O-N 3.39Å; E58-F61 PolarHBondContact O-N 3.14Å; E58-F61 VanDerWaalsContact O-N 3.13Å
62	V	63	Low	67.1	Low	19 Å²	19	81 Å²	81	12%	0.115	40%	0.402	C	S	.	.	H	α-helix	trans	-81.8	-38.5	-179	-176	0	0	0	0	112.4	F24 E58 S60 R110	F24-V62 HydrophobicContact CE2-CB 4.19Å; F24-V62 HydrophobicContact CE2-CG1 3.8Å; F24-V62 HydrophobicContact CE2-CG2 3.6Å; F24-V62 HydrophobicContact CZ-CG1 4.37Å; F24-V62 HydrophobicContact CZ-CG2 4.3Å; E58-V62 HydrophobicContact CG-CG2 4.03Å; E58-V62 WeakPolarHBondContact O-CB 3.34Å; E58-V62 WeakPolarHBondContact O-CG2 3.44Å; E58-V62 PolarHBondContact O-N 3.25Å; S60-V62 VanDerWaalsContact C-N 3.34Å; S60-V62 PolarHBondContact O-N 3.4Å; V62-R110 HydrophobicContact CG1-CB 3.83Å; V62-R110 HydrophobicContact CG1-CG 4.34Å; V62-R110 HydrophobicContact CG2-CB 4.47Å
63	N	55.5	Low	66.6	Low	66 Å²	66	78.6 Å²	78.6	35%	0.353	39%	0.39	S	S	.	.	H	α-helix	trans	-82.8	-21.6	176.9	-63.1	-48.7	0	0	0	113	D59 S60 Q65 R110	D59-N63 WeakPolarHBondContact O-CB 3.43Å; D59-N63 VanDerWaalsContact O-CG 3.3Å; D59-N63 PolarHBondContact O-N 3.16Å; D59-N63 PolarHBondContact O-ND2 3.44Å; D59-N63 PolarHBondContact OD2-ND2 3.35Å; D59-N63 VanDerWaalsContact OD2-ND2 3.08Å; S60-N63 PolarHBondContact O-N 3.38Å; N63-Q65 PolarHBondContact O-N 3.48Å; N63-Q65 VanDerWaalsContact O-N 3.17Å; N63-R110 PolarHBondContact ND2-NH1 3.19Å
64	S	59	Low	66.5	Low	25 Å²	25	76.9 Å²	76.9	18%	0.175	38%	0.383	C	S	.	.			trans	-64.8	113.8	179	-88.2	0	0	0	0	111.5	S60 E66	S60-S64 WeakPolarHBondContact O-CA 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.11Å; S60-S64 PolarHBondContact O-N 2.93Å; S60-S64 PolarHBondContact O-OG 3.38Å; S64-E66 WeakPolarHBondContact CB-OE1 3.31Å; S64-E66 PolarHBondContact O-N 3.19Å; S64-E66 PolarHBondContact OG-OE1 3.13Å
65	Q	50	Low	66.5	Low	141 Å²	141	77.6 Å²	77.6	66%	0.659	39%	0.385	S	S	*	.			trans	-76.2	57.5	174.1	-160.9	170.7	36.7	0	0	110.6	N63 E75	N63-Q65 PolarHBondContact O-N 3.48Å; N63-Q65 VanDerWaalsContact O-N 3.17Å; Q65-E75 PolarHBondContact NE2-OE1 3.45Å
66	E	50.3	Low	67	Low	79 Å²	79	75 Å²	75	37%	0.369	37%	0.37	S	S	.	.			trans	-115.4	97.2	-155.2	-72.6	-166.5	-123.2	0	0	116.6	R23 S64 T68	R23-E66 PolarHBondContact NH1-O 3.32Å; R23-E66 PolarHBondContact NH2-O 3.34Å; R23-E66 VanDerWaalsContact NH2-O 3.14Å; S64-E66 WeakPolarHBondContact CB-OE1 3.31Å; S64-E66 PolarHBondContact O-N 3.19Å; S64-E66 PolarHBondContact OG-OE1 3.13Å; E66-T68 PolarHBondContact O-N 2.84Å
67	W	48.2	Very low	67.7	Low	229 Å²	229	71.3 Å²	71.3	87%	0.867	36%	0.356	S	S	*	.	S	Bend	trans	89.8	-12.3	144.3	-43.7	-4.3	0	0	0	118.1
68	T	52.3	Low	68.5	Low	60 Å²	60	65.8 Å²	65.8	37%	0.368	33%	0.327	S	S	.	.	S	Bend	trans	-96.8	-54.4	179.9	42.3	0	0	0	0	113.1	E20 E66	E20-T68 PolarHBondContact OE2-OG1 3.23Å; E66-T68 PolarHBondContact O-N 2.84Å
69	C	57.9	Low	69.3	Low	38 Å²	38	64.6 Å²	64.6	26%	0.257	32%	0.322	S	S	.	.	S	Bend	trans	-73.6	135.4	178	-72.8	0	0	0	0	111.8	E20 V73	E20-C69 VanDerWaalsContact CB-SG 3.56Å; C69-V73 HydrophobicContact CB-CB 4.34Å; C69-V73 HydrophobicContact CB-CG2 4Å
70	S	60.2	Low	70.6	Confident	48 Å²	48	63 Å²	63	34%	0.336	31%	0.314	S	S	.	.			trans	-68.4	153.6	167.2	70.3	0	0	0	0	110.7	Q16 A72 V73	Q16-S70 VanDerWaalsContact OE1-CB 3.26Å; Q16-S70 VanDerWaalsContact OE1-N 3.1Å; Q16-S70 PolarHBondContact OE1-OG 3.44Å; S70-A72 PolarHBondContact O-N 3Å; S70-V73 PolarHBondContact O-N 2.97Å
71	R	64.6	Low	71.9	Confident	259 Å²	259	59.7 Å²	59.7	98%	0.977	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	0.8	173.1	-66.5	-172	178.9	-158.5	-1.4	114.3
72	A	68.5	Low	73	Confident	71 Å²	71	57 Å²	57	59%	0.587	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10	174.7	0	0	0	0	0	113.2	S70 P74	S70-A72 PolarHBondContact O-N 3Å; A72-P74 WeakPolarHBondContact O-CD 3.35Å
73	V	75.6	Confident	74.4	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.073	28%	0.277	C	S	.	.	S	Bend	trans	-73.4	121.4	175.3	179.4	0	0	0	0	109.4	V13 Q16 I17 C69 S70 L123	V13-V73 HydrophobicContact CG1-CG1 4.5Å; V13-V73 HydrophobicContact CG1-CG2 4.3Å; Q16-V73 HydrophobicContact CB-CG2 4.11Å; I17-V73 HydrophobicContact CD1-CG1 3.95Å; I17-V73 HydrophobicContact CG1-CG1 3.5Å; C69-V73 HydrophobicContact CB-CB 4.34Å; C69-V73 HydrophobicContact CB-CG2 4Å; S70-V73 PolarHBondContact O-N 2.97Å; V73-L123 HydrophobicContact CG1-CB 4.12Å
74	P	84.8	Confident	76	Confident	42 Å²	42	57.9 Å²	57.9	27%	0.273	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-83.7	123.6	-179.1	33.4	-33	0	0	0	111.2	A72 P121 Y122 L123	A72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-P121 WeakPolarHBondContact CG-O 3.08Å; P74-Y122 HydrophobicContact CB-CD1 3.54Å; P74-Y122 HydrophobicContact CB-CE1 3.67Å; P74-Y122 HydrophobicContact CG-CD1 3.55Å; P74-Y122 HydrophobicContact CG-CE1 3.81Å; P74-Y122 HydrophobicContact CG-CG 4.09Å; P74-Y122 WeakPolarHBondContact O-CA 3.15Å; P74-L123 PolarHBondContact O-N 3.35Å
75	E	87	Confident	77.5	Confident	32 Å²	32	59.1 Å²	59.1	15%	0.15	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146	-179.2	-66.4	172.6	-169.2	0	0	112.3	Q65 R77 L123 R237	Q65-E75 PolarHBondContact NE2-OE1 3.45Å; E75-R77 IonicContact OE2-CZ 3.85Å; E75-R77 IonicContact OE2-NE 2.73Å; E75-R77 IonicContact OE2-NH2 3.21Å; E75-R77 PolarHBondContact OE2-NH2 3.31Å; E75-L123 CarbonylContact C-O 3.57Å; E75-L123 WeakPolarHBondContact CA-O 3.08Å; E75-L123 HydrophobicContact CG-CD2 4.46Å; E75-R237 VanDerWaalsContact O-CZ 3.31Å; E75-R237 PolarHBondContact O-NH1 3.5Å; E75-R237 PolarHBondContact O-NH2 3.07Å
76	L	91.7	Very high	79.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.7	170.3	-57.9	174	0	0	0	109.1	I115 Y122 L123 L124 L125 C230 I233 I234	L76-I115 HydrophobicContact CD1-CG2 4.13Å; L76-Y122 HydrophobicContact CD1-CD1 4.07Å; L76-Y122 HydrophobicContact CD1-CG 3.96Å; L76-Y122 HydrophobicContact CD2-CD1 4.13Å; L76-Y122 HydrophobicContact CG-CD1 3.96Å; L76-Y122 HydrophobicContact CG-CG 4.27Å; L76-L123 PolarHBondContact N-O 2.89Å; L76-L124 HydrophobicContact CB-CD1 4.04Å; L76-L125 PolarHBondContact O-N 2.72Å; L76-C230 HydrophobicContact CD1-CB 4Å; L76-I233 HydrophobicContact CB-CD1 4.24Å; L76-I233 HydrophobicContact CD2-CB 4.19Å; L76-I233 HydrophobicContact CD2-CG2 3.61Å; L76-I234 HydrophobicContact CD1-CD1 4.32Å; L76-I234 HydrophobicContact CD2-CG1 4Å
77	R	92.4	Very high	81.4	Confident	75 Å²	75	49 Å²	49	28%	0.283	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.7	-175.7	-61.7	171.5	-171	164.5	3.3	110.8	E75 L125 W140 D142 A143	E75-R77 IonicContact OE2-CZ 3.85Å; E75-R77 IonicContact OE2-NE 2.73Å; E75-R77 IonicContact OE2-NH2 3.21Å; E75-R77 PolarHBondContact OE2-NH2 3.31Å; R77-L125 HydrophobicContact CG-CB 4.43Å; R77-L125 HydrophobicContact CG-CD1 4.18Å; R77-W140 HydrophobicContact CB-CD2 4.3Å; R77-W140 HydrophobicContact CB-CE3 4.12Å; R77-W140 HydrophobicContact CB-CH2 3.86Å; R77-W140 HydrophobicContact CB-CZ2 4.06Å; R77-W140 HydrophobicContact CB-CZ3 3.89Å; R77-W140 WeakPolarHBondContact CD-O 3.31Å; R77-W140 HydrophobicContact CG-CD2 4.5Å; R77-W140 HydrophobicContact CG-CH2 4.19Å; R77-W140 HydrophobicContact CG-CZ2 3.9Å; R77-D142 WeakPolarHBondContact CA-OD2 3.15Å; R77-D142 VanDerWaalsContact CB-OD2 3.27Å; R77-D142 WeakPolarHBondContact CB-OD2 3.25Å; R77-D142 PolarHBondContact N-OD2 3.05Å; R77-D142 WeakPolarHBondContact O-CB 3.43Å; R77-D142 PolarHBondContact O-N 2.87Å; R77-A143 PolarHBondContact O-N 3.41Å
78	L	94.8	Very high	83.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.9	-174.4	-174.6	64.2	0	0	0	110.5	L124 L125 I126 R127 A143 I145 F226 A229	L78-L124 HydrophobicContact CB-CD1 3.88Å; L78-L124 HydrophobicContact CD2-CD1 4.29Å; L78-L125 PolarHBondContact N-O 2.91Å; L78-I126 WeakPolarHBondContact O-CA 3.4Å; L78-R127 PolarHBondContact O-N 3.08Å; L78-A143 HydrophobicContact CD1-CB 4.12Å; L78-I145 HydrophobicContact CD1-CD1 4.03Å; L78-I145 HydrophobicContact CD1-CG1 4.04Å; L78-I145 HydrophobicContact CD2-CD1 3.86Å; L78-I145 HydrophobicContact CG-CD1 4.17Å; L78-F226 HydrophobicContact CD2-CD1 3.49Å; L78-F226 VanDerWaalsContact CD2-CD1 3.49Å; L78-F226 HydrophobicContact CD2-CE1 3.88Å; L78-A229 HydrophobicContact CD1-CB 3.8Å
79	G	94	Very high	85.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.8	174.3	0	0	0	0	0	112.6	R127 A143 V144 I145	G79-R127 CarbonylContact C-O 3.35Å; G79-R127 WeakPolarHBondContact CA-O 3.45Å; G79-A143 PolarHBondContact N-O 3.07Å; G79-V144 WeakPolarHBondContact O-CA 3.46Å; G79-I145 PolarHBondContact O-N 3.44Å
80	L	95.7	Very high	87.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.7	166.8	-69	96.7	0	0	0	110.9	V92 I126 R127 E128 E129 I145 V147 F226	L80-V92 HydrophobicContact CD1-CG2 3.87Å; L80-V92 HydrophobicContact CD2-CG2 3.54Å; L80-V92 HydrophobicContact CG-CG2 4.27Å; L80-I126 HydrophobicContact CD1-CG2 3.29Å; L80-R127 PolarHBondContact N-O 3.39Å; L80-E128 HydrophobicContact CB-CB 4.44Å; L80-E128 HydrophobicContact CB-CG 4.39Å; L80-E129 PolarHBondContact O-N 3.21Å; L80-I145 WeakPolarHBondContact CA-O 3.44Å; L80-I145 HydrophobicContact CD2-CB 4.46Å; L80-I145 HydrophobicContact CG-CB 4.23Å; L80-I145 HydrophobicContact CG-CD1 4.49Å; L80-V147 HydrophobicContact CD2-CG2 4.2Å; L80-F226 HydrophobicContact CD1-CE1 4.28Å; L80-F226 HydrophobicContact CD2-CZ 4.15Å
81	L	95	Very high	88.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.9	178.6	-65.4	-178.4	0	0	0	110.3	E129 P133 F137 V144 I145 F146 V147 Y162 M166	L81-E129 HydrophobicContact CD2-CB 3.84Å; L81-E129 HydrophobicContact CD2-CG 3.86Å; L81-P133 HydrophobicContact CD1-CB 3.8Å; L81-P133 HydrophobicContact CD1-CG 3.81Å; L81-P133 HydrophobicContact CD2-CB 3.92Å; L81-P133 HydrophobicContact CD2-CG 4.44Å; L81-F137 HydrophobicContact CD1-CE1 3.83Å; L81-F137 HydrophobicContact CD1-CZ 4.38Å; L81-F137 HydrophobicContact CD2-CD1 4.28Å; L81-F137 HydrophobicContact CD2-CE1 3.62Å; L81-F137 HydrophobicContact CD2-CE2 4.35Å; L81-F137 HydrophobicContact CD2-CZ 3.63Å; L81-F137 HydrophobicContact CG-CE1 3.76Å; L81-F137 HydrophobicContact CG-CZ 3.8Å; L81-V144 HydrophobicContact CB-CG1 4.46Å; L81-V144 HydrophobicContact CD1-CG1 3.89Å; L81-V144 HydrophobicContact CG-CG1 4.04Å; L81-I145 PolarHBondContact N-O 3.11Å; L81-F146 HydrophobicContact CB-CD1 3.88Å; L81-F146 HydrophobicContact CB-CE1 3.97Å; L81-F146 HydrophobicContact CD1-CD1 4.34Å; L81-F146 HydrophobicContact CD1-CE1 3.59Å; L81-F146 HydrophobicContact CD1-CZ 4.05Å; L81-F146 HydrophobicContact CG-CE1 4.41Å; L81-F146 CarbonylContact O-C 3.53Å; L81-F146 WeakPolarHBondContact O-CA 3.34Å; L81-V147 PolarHBondContact O-N 3.31Å; L81-Y162 HydrophobicContact CB-CD2 4.26Å; L81-M166 HydrophobicContact CD1-SD 4.48Å
82	G	93.2	Very high	90.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	12%	0.117	C	C	.	.			trans	-177.1	166	177.5	0	0	0	0	0	110.5	V147	G82-V147 WeakPolarHBondContact CA-O 3.41Å
83	S	92.2	Very high	91.1	Very high	13 Å²	13	18.6 Å²	18.6	9%	0.091	10%	0.101	C	C	.	.			trans	-68.5	166.1	173.2	62.5	0	0	0	0	111.2	S85 S86 S155	S83-S85 PolarHBondContact O-N 3.46Å; S83-S85 PolarHBondContact OG-N 3.44Å; S83-S85 PolarHBondContact OG-OG 2.95Å; S83-S86 WeakPolarHBondContact O-CB 3.49Å; S83-S86 PolarHBondContact O-N 3.46Å; S83-S86 VanDerWaalsContact O-N 3.11Å; S83-S86 PolarHBondContact O-OG 3.16Å; S83-S86 PolarHBondContact OG-N 2.98Å; S83-S155 WeakPolarHBondContact OG-CA 3.16Å; S83-S155 WeakPolarHBondContact OG-CB 3.4Å
84	L	89.5	Confident	91.9	Very high	90 Å²	90	20.4 Å²	20.4	47%	0.471	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	8.4	170.7	-59.3	179.7	0	0	0	114.9	E104 G130	L84-E104 VanDerWaalsContact O-CD 3.32Å; L84-E104 WeakPolarHBondContact O-CG 3.41Å; L84-G130 VanDerWaalsContact CD2-O 3.24Å; L84-G130 WeakPolarHBondContact CD2-O 3.46Å
85	S	89.4	Confident	92.4	Very high	52 Å²	52	19.2 Å²	19.2	36%	0.364	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	4.8	179.7	53.8	0	0	0	0	112	S83 S149 D152	S83-S85 PolarHBondContact O-N 3.46Å; S83-S85 PolarHBondContact OG-N 3.44Å; S83-S85 PolarHBondContact OG-OG 2.95Å; S85-S149 VanDerWaalsContact O-CB 3.27Å; S85-S149 WeakPolarHBondContact O-CB 3.39Å; S85-D152 VanDerWaalsContact CB-OD2 3.25Å; S85-D152 WeakPolarHBondContact CB-OD2 3.37Å; S85-D152 PolarHBondContact OG-OD2 2.83Å
86	S	91.8	Very high	92.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-86.3	-13.2	-172.8	64.1	0	0	0	0	113.8	S83 K88 E104 V147 T182	S83-S86 WeakPolarHBondContact O-CB 3.49Å; S83-S86 PolarHBondContact O-N 3.46Å; S83-S86 VanDerWaalsContact O-N 3.11Å; S83-S86 PolarHBondContact O-OG 3.16Å; S83-S86 PolarHBondContact OG-N 2.98Å; S86-K88 VanDerWaalsContact C-N 3.31Å; S86-K88 WeakPolarHBondContact OG-CG 3.49Å; S86-E104 PolarHBondContact N-OE1 2.8Å; S86-V147 VanDerWaalsContact CB-O 3.31Å; S86-V147 WeakPolarHBondContact CB-O 3.32Å; S86-V147 WeakPolarHBondContact O-CG1 3.45Å; S86-T182 VanDerWaalsContact O-CG2 3.24Å; S86-T182 WeakPolarHBondContact O-CG2 3.25Å; S86-T182 PolarHBondContact O-OG1 3.27Å
87	G	90.8	Very high	92.4	Very high	8 Å²	8	22.8 Å²	22.8	8%	0.082	12%	0.119	C	C	.	.			trans	78.2	13.8	-173.5	0	0	0	0	0	113.7	S89 S90 L91 E104	G87-S89 VanDerWaalsContact C-N 3.34Å; G87-S89 PolarHBondContact O-N 3.34Å; G87-S90 PolarHBondContact O-N 2.88Å; G87-L91 WeakPolarHBondContact O-CB 3.13Å; G87-L91 PolarHBondContact O-N 2.96Å; G87-E104 WeakPolarHBondContact CA-OE1 3.5Å; G87-E104 PolarHBondContact N-OE1 2.81Å
88	K	93.2	Very high	92.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-53.3	-47.4	179.1	50.6	164.2	-170.4	48.6	0	112.4	S86 L91 V92 E104 S105 E128 E129 V147	S86-K88 VanDerWaalsContact C-N 3.31Å; S86-K88 WeakPolarHBondContact OG-CG 3.49Å; K88-L91 WeakPolarHBondContact O-CB 3.36Å; K88-L91 PolarHBondContact O-N 2.75Å; K88-V92 WeakPolarHBondContact O-CG2 3.33Å; K88-V92 PolarHBondContact O-N 3.07Å; K88-E104 WeakPolarHBondContact CG-OE2 3.29Å; K88-E104 IonicContact NZ-OE2 3.15Å; K88-E104 PolarHBondContact NZ-OE2 3.48Å; K88-S105 PolarHBondContact NZ-O 3.39Å; K88-E128 HydrophobicContact CD-CG 3.97Å; K88-E128 WeakPolarHBondContact CD-OE1 3.46Å; K88-E128 WeakPolarHBondContact CE-OE1 3.34Å; K88-E128 VanDerWaalsContact CG-OE1 3.25Å; K88-E128 WeakPolarHBondContact CG-OE1 3.22Å; K88-E128 IonicContact NZ-OE1 3.96Å; K88-E128 PolarHBondContact NZ-OE1 3.34Å; K88-E129 WeakPolarHBondContact CE-O 3.3Å; K88-V147 HydrophobicContact CB-CB 4.24Å; K88-V147 HydrophobicContact CB-CG1 4.41Å; K88-V147 HydrophobicContact CB-CG2 4.33Å
89	S	92.2	Very high	91.7	Very high	8 Å²	8	25 Å²	25	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-47.4	-178.7	-38.4	0	0	0	0	110.8	G87 L91 V92 H93 E103 E104 S105 E128	G87-S89 VanDerWaalsContact C-N 3.34Å; G87-S89 PolarHBondContact O-N 3.34Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.77Å; S89-V92 PolarHBondContact O-N 3.4Å; S89-H93 WeakPolarHBondContact O-CB 3.5Å; S89-H93 PolarHBondContact O-N 3.1Å; S89-E103 WeakPolarHBondContact CB-O 3.3Å; S89-E104 WeakPolarHBondContact OG-CA 3.5Å; S89-E104 PolarHBondContact OG-OE2 3.29Å; S89-S105 PolarHBondContact OG-N 2.9Å; S89-E128 WeakPolarHBondContact CA-OE1 3.29Å; S89-E128 PolarHBondContact N-OE1 3.09Å; S89-E128 PolarHBondContact OG-OE1 3.42Å
90	S	92.1	Very high	91.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-40.4	177.3	-45	0	0	0	0	112.1	G87 R94 I101	G87-S90 PolarHBondContact O-N 2.88Å; S90-R94 VanDerWaalsContact O-CB 3.24Å; S90-R94 WeakPolarHBondContact O-CB 3.31Å; S90-R94 PolarHBondContact O-N 2.97Å; S90-I101 PolarHBondContact OG-O 2.89Å
91	L	93.9	Very high	90.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.3	-45.2	177.3	-179.3	65.6	0	0	0	111.8	G87 K88 S89 Y95 V147 V180 T214 V222 F226	G87-L91 WeakPolarHBondContact O-CB 3.13Å; G87-L91 PolarHBondContact O-N 2.96Å; K88-L91 WeakPolarHBondContact O-CB 3.36Å; K88-L91 PolarHBondContact O-N 2.75Å; S89-L91 VanDerWaalsContact C-N 3.33Å; S89-L91 PolarHBondContact O-N 2.77Å; L91-Y95 PolarHBondContact O-N 3.22Å; L91-V147 HydrophobicContact CD2-CG1 4.34Å; L91-V147 HydrophobicContact CD2-CG2 4.12Å; L91-V180 HydrophobicContact CD2-CG1 4.01Å; L91-T214 HydrophobicContact CD1-CG2 4.34Å; L91-V222 HydrophobicContact CD1-CB 4.25Å; L91-V222 HydrophobicContact CD1-CG1 3.91Å; L91-V222 HydrophobicContact CD1-CG2 3.78Å; L91-F226 HydrophobicContact CG-CE2 4.13Å
92	V	93.6	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-49.1	175.4	177.1	0	0	0	0	110.7	L80 K88 S89 R94 Y95 L96 F111 I126 F226	L80-V92 HydrophobicContact CD1-CG2 3.87Å; L80-V92 HydrophobicContact CD2-CG2 3.54Å; L80-V92 HydrophobicContact CG-CG2 4.27Å; K88-V92 WeakPolarHBondContact O-CG2 3.33Å; K88-V92 PolarHBondContact O-N 3.07Å; S89-V92 PolarHBondContact O-N 3.4Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.42Å; V92-Y95 WeakPolarHBondContact O-CB 3.43Å; V92-Y95 PolarHBondContact O-N 3Å; V92-Y95 VanDerWaalsContact O-N 3.08Å; V92-L96 HydrophobicContact CG1-CD1 3.69Å; V92-L96 HydrophobicContact CG1-CG 4.2Å; V92-L96 WeakPolarHBondContact O-CG 3.26Å; V92-L96 PolarHBondContact O-N 3.47Å; V92-F111 HydrophobicContact CG1-CD2 3.55Å; V92-F111 HydrophobicContact CG1-CE2 3.49Å; V92-F111 VanDerWaalsContact CG1-CE2 3.49Å; V92-F111 HydrophobicContact CG1-CG 4.26Å; V92-F111 HydrophobicContact CG1-CZ 4.16Å; V92-I126 HydrophobicContact CG1-CG2 4.35Å; V92-F226 HydrophobicContact CG2-CZ 4.14Å
93	H	90.2	Very high	89.2	Confident	54 Å²	54	44 Å²	44	25%	0.25	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-41.8	179.1	-171.7	-86.8	0	0	0	111.9	S89 L96 T97 T99 I101	S89-H93 WeakPolarHBondContact O-CB 3.5Å; S89-H93 PolarHBondContact O-N 3.1Å; H93-L96 PolarHBondContact O-N 3.39Å; H93-T97 PolarHBondContact CE1-OG1 3.12Å; H93-T97 PolarHBondContact ND1-OG1 3.34Å; H93-T97 WeakPolarHBondContact NE2-CG2 2.91Å; H93-T97 PolarHBondContact O-N 3.44Å; H93-T97 PolarHBondContact O-OG1 3.46Å; H93-T99 PolarHBondContact CE1-OG1 2.7Å; H93-T99 VanDerWaalsContact CE1-OG1 3.28Å; H93-T99 PolarHBondContact ND1-O 3.18Å; H93-I101 WeakPolarHBondContact CE1-CD1 3.4Å; H93-I101 VanDerWaalsContact CE1-CG1 3.5Å; H93-I101 WeakPolarHBondContact CE1-CG1 3.38Å; H93-I101 WeakPolarHBondContact NE2-CD1 3.43Å
94	R	93.2	Very high	88.4	Confident	50 Å²	50	45.9 Å²	45.9	19%	0.189	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-40.9	175.5	-178	58.1	177.1	-126	12.8	112.1	S90 V92 G98 T99 A216 I217 Y218 V222	S90-R94 VanDerWaalsContact O-CB 3.24Å; S90-R94 WeakPolarHBondContact O-CB 3.31Å; S90-R94 PolarHBondContact O-N 2.97Å; V92-R94 VanDerWaalsContact C-N 3.29Å; V92-R94 PolarHBondContact O-N 3.42Å; R94-G98 WeakPolarHBondContact CD-O 3.28Å; R94-G98 VanDerWaalsContact CZ-O 3.31Å; R94-G98 PolarHBondContact NE-O 2.81Å; R94-G98 VanDerWaalsContact NE-O 3.17Å; R94-G98 VanDerWaalsContact O-CA 3.28Å; R94-G98 WeakPolarHBondContact O-CA 3.28Å; R94-G98 PolarHBondContact O-N 3.29Å; R94-T99 WeakPolarHBondContact CA-O 3.35Å; R94-A216 HydrophobicContact CB-CB 3.95Å; R94-A216 VanDerWaalsContact CD-O 3.32Å; R94-A216 WeakPolarHBondContact CD-O 3.44Å; R94-A216 HydrophobicContact CG-CB 4.31Å; R94-A216 WeakPolarHBondContact CG-O 3.4Å; R94-A216 PolarHBondContact NH1-O 3.33Å; R94-I217 VanDerWaalsContact NH1-C 3.32Å; R94-I217 PolarHBondContact NH1-O 2.94Å; R94-Y218 VanDerWaalsContact NH2-C 3.27Å; R94-Y218 PolarHBondContact NH2-O 3.04Å; R94-Y218 VanDerWaalsContact NH2-O 3.13Å; R94-V222 HydrophobicContact CB-CG1 4.43Å; R94-V222 HydrophobicContact CG-CG1 4.24Å; R94-V222 HydrophobicContact CG-CG2 4.15Å
95	Y	94.3	Very high	87.8	Confident	18 Å²	18	43.6 Å²	43.6	7%	0.071	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-37.5	176.2	177.8	-111.5	0	0	0	112.8	L91 V92 K113 L124 I126 V222 F226	L91-Y95 PolarHBondContact O-N 3.22Å; V92-Y95 WeakPolarHBondContact O-CB 3.43Å; V92-Y95 PolarHBondContact O-N 3Å; V92-Y95 VanDerWaalsContact O-N 3.08Å; Y95-K113 HydrophobicContact CD1-CD 4.28Å; Y95-K113 HydrophobicContact CE1-CD 3.73Å; Y95-K113 PolarHBondContact O-NZ 2.82Å; Y95-L124 HydrophobicContact CE1-CD2 3.96Å; Y95-I126 HydrophobicContact CD1-CD1 4Å; Y95-I126 HydrophobicContact CE1-CD1 4Å; Y95-V222 HydrophobicContact CD2-CG1 4.5Å; Y95-F226 HydrophobicContact CD1-CB 4.31Å; Y95-F226 AromaticContact CD1-CD1 3.7Å; Y95-F226 HydrophobicContact CD1-CD1 3.7Å; Y95-F226 AromaticContact CD1-CD2 3.92Å; Y95-F226 HydrophobicContact CD1-CD2 3.92Å; Y95-F226 AromaticContact CD1-CE1 3.93Å; Y95-F226 HydrophobicContact CD1-CE1 3.93Å; Y95-F226 HydrophobicContact CD1-CE2 4.13Å; Y95-F226 AromaticContact CD1-CG 3.71Å; Y95-F226 HydrophobicContact CD1-CG 3.71Å; Y95-F226 HydrophobicContact CD1-CZ 4.14Å; Y95-F226 HydrophobicContact CD2-CB 3.86Å; Y95-F226 AromaticContact CD2-CD2 3.59Å; Y95-F226 HydrophobicContact CD2-CD2 3.59Å; Y95-F226 HydrophobicContact CD2-CE2 4.29Å; Y95-F226 AromaticContact CD2-CG 3.76Å; Y95-F226 HydrophobicContact CD2-CG 3.76Å; Y95-F226 HydrophobicContact CE1-CB 3.99Å; Y95-F226 AromaticContact CE1-CD1 3.78Å; Y95-F226 HydrophobicContact CE1-CD1 3.78Å; Y95-F226 HydrophobicContact CE1-CD2 4.45Å; Y95-F226 HydrophobicContact CE1-CE1 4.4Å; Y95-F226 AromaticContact CE1-CG 3.83Å; Y95-F226 HydrophobicContact CE1-CG 3.83Å; Y95-F226 HydrophobicContact CE2-CB 3.5Å; Y95-F226 HydrophobicContact CE2-CD2 4.17Å; Y95-F226 AromaticContact CE2-CG 3.89Å; Y95-F226 HydrophobicContact CE2-CG 3.89Å; Y95-F226 HydrophobicContact CG-CB 4.25Å; Y95-F226 HydrophobicContact CG-CD1 4.11Å; Y95-F226 AromaticContact CG-CD2 3.44Å; Y95-F226 HydrophobicContact CG-CD2 3.44Å; Y95-F226 VanDerWaalsContact CG-CD2 3.44Å; Y95-F226 HydrophobicContact CG-CE1 4.35Å; Y95-F226 AromaticContact CG-CE2 3.72Å; Y95-F226 HydrophobicContact CG-CE2 3.72Å; Y95-F226 AromaticContact CG-CG 3.67Å; Y95-F226 HydrophobicContact CG-CG 3.67Å; Y95-F226 HydrophobicContact CG-CZ 4.18Å; Y95-F226 AromaticContact CZ-CG 3.91Å
96	L	91.5	Very high	87	Confident	41 Å²	41	45.5 Å²	45.5	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-78.1	-44.3	-178	-66.6	174.2	0	0	0	113	V92 H93 F111 K113 I126	V92-L96 HydrophobicContact CG1-CD1 3.69Å; V92-L96 HydrophobicContact CG1-CG 4.2Å; V92-L96 WeakPolarHBondContact O-CG 3.26Å; V92-L96 PolarHBondContact O-N 3.47Å; H93-L96 PolarHBondContact O-N 3.39Å; L96-F111 HydrophobicContact CD1-CB 3.57Å; L96-F111 HydrophobicContact CD1-CD1 3.32Å; L96-F111 HydrophobicContact CD1-CD2 4Å; L96-F111 HydrophobicContact CD1-CE1 3.95Å; L96-F111 HydrophobicContact CD1-CG 3.34Å; L96-F111 HydrophobicContact CD2-CB 4.24Å; L96-K113 HydrophobicContact CD2-CB 4.04Å; L96-K113 HydrophobicContact CD2-CD 3.79Å; L96-K113 HydrophobicContact CD2-CG 4.48Å; L96-I126 HydrophobicContact CD2-CD1 4.09Å
97	T	87.3	Confident	85.8	Confident	65 Å²	65	50.5 Å²	50.5	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-107.2	-15.4	-169.2	69.9	0	0	0	0	114.6	H93 T99	H93-T97 PolarHBondContact CE1-OG1 3.12Å; H93-T97 PolarHBondContact ND1-OG1 3.34Å; H93-T97 WeakPolarHBondContact NE2-CG2 2.91Å; H93-T97 PolarHBondContact O-N 3.44Å; H93-T97 PolarHBondContact O-OG1 3.46Å; T97-T99 PolarHBondContact O-N 2.98Å; T97-T99 PolarHBondContact OG1-N 3.23Å; T97-T99 PolarHBondContact OG1-O 3.23Å; T97-T99 PolarHBondContact OG1-OG1 2.87Å
98	G	87.2	Confident	85.2	Confident	46 Å²	46	50.6 Å²	50.6	47%	0.474	28%	0.276	S	S	.	.	S	Bend	trans	73.8	0.6	-168.3	0	0	0	0	0	114.5	R94	R94-G98 WeakPolarHBondContact CD-O 3.28Å; R94-G98 VanDerWaalsContact CZ-O 3.31Å; R94-G98 PolarHBondContact NE-O 2.81Å; R94-G98 VanDerWaalsContact NE-O 3.17Å; R94-G98 VanDerWaalsContact O-CA 3.28Å; R94-G98 WeakPolarHBondContact O-CA 3.28Å; R94-G98 PolarHBondContact O-N 3.29Å
99	T	86.2	Confident	84.6	Confident	76 Å²	76	51 Å²	51	47%	0.466	28%	0.28	S	S	.	.			trans	-116.2	147.1	-177.3	66.7	0	0	0	0	112.5	H93 R94 T97	H93-T99 PolarHBondContact CE1-OG1 2.7Å; H93-T99 VanDerWaalsContact CE1-OG1 3.28Å; H93-T99 PolarHBondContact ND1-O 3.18Å; R94-T99 WeakPolarHBondContact CA-O 3.35Å; T97-T99 PolarHBondContact O-N 2.98Å; T97-T99 PolarHBondContact OG1-N 3.23Å; T97-T99 PolarHBondContact OG1-O 3.23Å; T97-T99 PolarHBondContact OG1-OG1 2.87Å
100	Y	86.1	Confident	84.2	Confident	65 Å²	65	51.7 Å²	51.7	26%	0.255	28%	0.281	S	S	.	.			trans	-88.2	132.3	175.1	178.9	-110.8	0	0	0	110.6	N102 A216 I217	Y100-N102 HydrophobicContact CE1-CB 3.82Å; Y100-N102 PolarHBondContact OH-OD1 2.95Å; Y100-A216 HydrophobicContact CD2-CB 3.69Å; Y100-A216 HydrophobicContact CE2-CB 4Å; Y100-I217 HydrophobicContact CD1-CG1 4.12Å; Y100-I217 HydrophobicContact CD2-CG1 4.08Å; Y100-I217 HydrophobicContact CE1-CG1 3.84Å; Y100-I217 HydrophobicContact CE2-CG1 3.8Å; Y100-I217 HydrophobicContact CG-CG1 4.22Å
101	I	83	Confident	83.9	Confident	62 Å²	62	53.7 Å²	53.7	32%	0.318	29%	0.29	S	S	.	.			trans	-127.3	136.9	165.5	-63	-175.1	0	0	0	106.3	S90 H93 E103	S90-I101 PolarHBondContact OG-O 2.89Å; H93-I101 WeakPolarHBondContact CE1-CD1 3.4Å; H93-I101 VanDerWaalsContact CE1-CG1 3.5Å; H93-I101 WeakPolarHBondContact CE1-CG1 3.38Å; H93-I101 WeakPolarHBondContact NE2-CD1 3.43Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 HydrophobicContact CG2-CB 3.75Å; I101-E103 HydrophobicContact CG2-CG 3.7Å; I101-E103 PolarHBondContact O-N 2.99Å
102	N	80.5	Confident	83.6	Confident	125 Å²	125	54.4 Å²	54.4	67%	0.668	29%	0.293	S	S	*	.			trans	-98.9	54.9	178.8	-168.8	30.7	0	0	0	110.6	Y100	Y100-N102 HydrophobicContact CE1-CB 3.82Å; Y100-N102 PolarHBondContact OH-OD1 2.95Å
103	E	75.5	Confident	83.4	Confident	147 Å²	147	57 Å²	57	69%	0.687	30%	0.304	S	S	*	.			trans	-128.7	124.7	178.9	-66.1	174.5	177.3	0	0	107.2	S89 I101	S89-E103 WeakPolarHBondContact CB-O 3.3Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 HydrophobicContact CG2-CB 3.75Å; I101-E103 HydrophobicContact CG2-CG 3.7Å; I101-E103 PolarHBondContact O-N 2.99Å
104	E	75.8	Confident	83.4	Confident	54 Å²	54	55.5 Å²	55.5	25%	0.252	30%	0.297	S	S	.	.			trans	-94.4	129	176.6	-81.2	-97.5	-158.2	0	0	109.1	L84 S86 G87 K88 S89 P106	L84-E104 VanDerWaalsContact O-CD 3.32Å; L84-E104 WeakPolarHBondContact O-CG 3.41Å; S86-E104 PolarHBondContact N-OE1 2.8Å; G87-E104 WeakPolarHBondContact CA-OE1 3.5Å; G87-E104 PolarHBondContact N-OE1 2.81Å; K88-E104 WeakPolarHBondContact CG-OE2 3.29Å; K88-E104 IonicContact NZ-OE2 3.15Å; K88-E104 PolarHBondContact NZ-OE2 3.48Å; S89-E104 WeakPolarHBondContact OG-CA 3.5Å; S89-E104 PolarHBondContact OG-OE2 3.29Å; E104-P106 VanDerWaalsContact O-CD 3.26Å; E104-P106 WeakPolarHBondContact O-CD 3.33Å
105	S	76.3	Confident	83.3	Confident	41 Å²	41	53.8 Å²	53.8	29%	0.287	29%	0.292	S	S	.	.			trans	-80.6	113.4	176.4	-59.5	0	0	0	0	109.9	K88 S89 G108	K88-S105 PolarHBondContact NZ-O 3.39Å; S89-S105 PolarHBondContact OG-N 2.9Å; S105-G108 WeakPolarHBondContact CB-O 2.97Å; S105-G108 PolarHBondContact O-N 2.89Å
106	P	71.9	Confident	83.1	Confident	93 Å²	93	57.2 Å²	57.2	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.7	-178.5	29.1	-34.3	0	0	0	112.8	E104 G108 G130	E104-P106 VanDerWaalsContact O-CD 3.26Å; E104-P106 WeakPolarHBondContact O-CD 3.33Å; P106-G108 VanDerWaalsContact C-N 3.31Å; P106-G130 WeakPolarHBondContact O-CA 3.46Å
107	E	67.8	Low	83	Confident	105 Å²	105	55.9 Å²	55.9	49%	0.491	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.1	178	-62.6	178.5	153.5	0	0	112.3	R51	R51-E107 WeakPolarHBondContact CD-OE1 3.39Å; R51-E107 IonicContact CZ-OE1 2.67Å; R51-E107 IonicContact NE-OE1 2.69Å; R51-E107 IonicContact NH1-OE1 3.31Å; R51-E107 PolarHBondContact NH1-OE1 3.04Å; R51-E107 IonicContact NH1-OE2 3.1Å
108	G	77.9	Confident	82.9	Confident	9 Å²	9	59.2 Å²	59.2	9%	0.093	32%	0.323	C	S	.	.			trans	83	-154.4	-170	0	0	0	0	0	112.3	S105 P106 E128	S105-G108 WeakPolarHBondContact CB-O 2.97Å; S105-G108 PolarHBondContact O-N 2.89Å; P106-G108 VanDerWaalsContact C-N 3.31Å; G108-E128 VanDerWaalsContact CA-O 3.26Å; G108-E128 WeakPolarHBondContact CA-O 3.25Å
109	G	80.7	Confident	82.6	Confident	8 Å²	8	59.6 Å²	59.6	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	153.3	-178.2	0	0	0	0	0	113.3	F111 E128	G109-F111 VanDerWaalsContact C-CE2 3.49Å; G109-E128 PolarHBondContact N-O 3.31Å; G109-E128 PolarHBondContact O-N 3.44Å
110	R	83.3	Confident	82.5	Confident	24 Å²	24	60.8 Å²	60.8	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	-179.6	-53.2	-175.6	178.9	-157.1	-1.7	110.4	F24 H28 D59 V62 N63 I126 R127	F24-R110 WeakPolarHBondContact CZ-O 3.43Å; H28-R110 PolarHBondContact NE2-O 3.05Å; D59-R110 VanDerWaalsContact CG-CZ 3.46Å; D59-R110 IonicContact OD1-CZ 3.99Å; D59-R110 IonicContact OD1-NH1 3.76Å; D59-R110 PolarHBondContact OD1-NH1 3.43Å; D59-R110 IonicContact OD1-NH2 2.82Å; D59-R110 PolarHBondContact OD1-NH2 2.89Å; D59-R110 IonicContact OD2-CZ 2.99Å; D59-R110 VanDerWaalsContact OD2-CZ 3.23Å; D59-R110 IonicContact OD2-NH1 2.85Å; D59-R110 PolarHBondContact OD2-NH1 3.27Å; D59-R110 IonicContact OD2-NH2 2.75Å; D59-R110 PolarHBondContact OD2-NH2 3.49Å; V62-R110 HydrophobicContact CG1-CB 3.83Å; V62-R110 HydrophobicContact CG1-CG 4.34Å; V62-R110 HydrophobicContact CG2-CB 4.47Å; N63-R110 PolarHBondContact ND2-NH1 3.19Å; R110-I126 WeakPolarHBondContact CA-O 3.48Å; R110-R127 VanDerWaalsContact NH2-CZ 3.3Å
111	F	86.8	Confident	82.7	Confident	43 Å²	43	58 Å²	58	19%	0.189	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.8	-170.7	-45.4	-85	0	0	0	111.8	V92 L96 G109 I126	V92-F111 HydrophobicContact CG1-CD2 3.55Å; V92-F111 HydrophobicContact CG1-CE2 3.49Å; V92-F111 VanDerWaalsContact CG1-CE2 3.49Å; V92-F111 HydrophobicContact CG1-CG 4.26Å; V92-F111 HydrophobicContact CG1-CZ 4.16Å; L96-F111 HydrophobicContact CD1-CB 3.57Å; L96-F111 HydrophobicContact CD1-CD1 3.32Å; L96-F111 HydrophobicContact CD1-CD2 4Å; L96-F111 HydrophobicContact CD1-CE1 3.95Å; L96-F111 HydrophobicContact CD1-CG 3.34Å; L96-F111 HydrophobicContact CD2-CB 4.24Å; G109-F111 VanDerWaalsContact C-CE2 3.49Å; F111-I126 HydrophobicContact CB-CB 4.23Å; F111-I126 HydrophobicContact CD2-CB 4.37Å; F111-I126 HydrophobicContact CD2-CG2 4.36Å; F111-I126 PolarHBondContact N-O 3.22Å; F111-I126 PolarHBondContact O-N 2.92Å
112	K	87	Confident	83	Confident	17 Å²	17	57 Å²	57	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.7	175.2	-59.1	-164.3	-176.6	-177.1	0	109.2	E20 I21 F24 L123 L124 L125	E20-K112 HydrophobicContact CG-CD 4.4Å; E20-K112 IonicContact OE1-NZ 3.16Å; E20-K112 PolarHBondContact OE1-NZ 2.97Å; I21-K112 HydrophobicContact CG1-CB 4.03Å; F24-K112 HydrophobicContact CB-CD 3.96Å; F24-K112 HydrophobicContact CB-CG 4.44Å; F24-K112 HydrophobicContact CD1-CB 4.16Å; F24-K112 HydrophobicContact CD1-CD 4.37Å; F24-K112 HydrophobicContact CD1-CG 3.95Å; F24-K112 HydrophobicContact CD2-CD 3.76Å; F24-K112 HydrophobicContact CD2-CG 3.97Å; F24-K112 HydrophobicContact CE1-CG 4.13Å; F24-K112 HydrophobicContact CE2-CD 4.28Å; F24-K112 HydrophobicContact CE2-CG 4.1Å; F24-K112 HydrophobicContact CG-CB 4.39Å; F24-K112 HydrophobicContact CG-CD 3.78Å; F24-K112 HydrophobicContact CG-CG 3.86Å; F24-K112 HydrophobicContact CZ-CG 4.17Å; K112-L123 HydrophobicContact CB-CD1 4.17Å; K112-L124 WeakPolarHBondContact CA-O 3.27Å; K112-L125 HydrophobicContact CB-CD2 4.46Å; K112-L125 HydrophobicContact CD-CD2 3.9Å; K112-L125 HydrophobicContact CG-CD2 3.72Å
113	K	88.8	Confident	83.4	Confident	53 Å²	53	51.2 Å²	51.2	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.4	177.9	-176.4	168.7	172.4	-171.2	0	111.1	Y95 L96 L124	Y95-K113 HydrophobicContact CD1-CD 4.28Å; Y95-K113 HydrophobicContact CE1-CD 3.73Å; Y95-K113 PolarHBondContact O-NZ 2.82Å; L96-K113 HydrophobicContact CD2-CB 4.04Å; L96-K113 HydrophobicContact CD2-CD 3.79Å; L96-K113 HydrophobicContact CD2-CG 4.48Å; K113-L124 PolarHBondContact N-O 3.28Å; K113-L124 WeakPolarHBondContact O-CA 3.45Å; K113-L124 WeakPolarHBondContact O-CB 3.39Å; K113-L124 PolarHBondContact O-N 3.43Å
114	E	90.4	Very high	84.2	Confident	23 Å²	23	44.2 Å²	44.2	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.4	169.7	-175.7	177	-152.6	0	0	109.7	S14 I17 I21 Q492	S14-E114 WeakPolarHBondContact CA-OE1 3.24Å; S14-E114 VanDerWaalsContact CB-OE1 3.23Å; S14-E114 WeakPolarHBondContact CB-OE1 3.3Å; S14-E114 PolarHBondContact OG-OE1 3.45Å; I17-E114 HydrophobicContact CG2-CB 3.77Å; I17-E114 HydrophobicContact CG2-CG 3.96Å; I21-E114 HydrophobicContact CD1-CB 4.09Å; E114-Q492 PolarHBondContact OE2-NE2 3.24Å
115	I	91.7	Very high	84.9	Confident	14 Å²	14	42.5 Å²	42.5	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.4	170.2	-167.1	173.7	0	0	0	109.8	L76 I117 Y122 L124 C230	L76-I115 HydrophobicContact CD1-CG2 4.13Å; I115-I117 HydrophobicContact CD1-CD1 4.06Å; I115-I117 HydrophobicContact CD1-CG1 4.32Å; I115-I117 HydrophobicContact CG1-CD1 4.38Å; I115-I117 HydrophobicContact CG1-CG1 4.18Å; I115-Y122 PolarHBondContact N-O 3.11Å; I115-Y122 PolarHBondContact O-N 3.37Å; I115-L124 HydrophobicContact CG2-CB 3.96Å; I115-C230 HydrophobicContact CD1-CB 4Å
116	V	90.4	Very high	85.6	Confident	91 Å²	91	40.7 Å²	40.7	55%	0.552	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.4	177.1	-176.3	0	0	0	0	108.7	Q120 P121	V116-Q120 WeakPolarHBondContact CA-O 3.44Å; V116-P121 HydrophobicContact CG2-CB 4.39Å
117	I	87.4	Confident	86.5	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.5	177.3	-61.4	177.4	0	0	0	107.4	I115 G119 Q120 Y122 C230 Y231 I234	I115-I117 HydrophobicContact CD1-CD1 4.06Å; I115-I117 HydrophobicContact CD1-CG1 4.32Å; I115-I117 HydrophobicContact CG1-CD1 4.38Å; I115-I117 HydrophobicContact CG1-CG1 4.18Å; I117-G119 PolarHBondContact O-N 3.32Å; I117-G119 VanDerWaalsContact O-N 3.11Å; I117-Q120 PolarHBondContact N-O 3.48Å; I117-Q120 PolarHBondContact O-N 2.85Å; I117-Y122 HydrophobicContact CB-CD2 4.36Å; I117-Y122 HydrophobicContact CB-CE2 4.16Å; I117-C230 HydrophobicContact CD1-CB 3.55Å; I117-Y231 HydrophobicContact CG2-CD2 4.13Å; I117-I234 HydrophobicContact CB-CD1 4.01Å; I117-I234 HydrophobicContact CD1-CD1 3.64Å; I117-I234 HydrophobicContact CG1-CD1 4.39Å; I117-I234 HydrophobicContact CG2-CD1 3.86Å
118	D	85.3	Confident	87.6	Confident	135 Å²	135	32.1 Å²	32.1	72%	0.722	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	34.9	-177.1	-53.2	-35.1	0	0	0	114	Q120	D118-Q120 VanDerWaalsContact C-N 3.25Å; D118-Q120 PolarHBondContact O-N 3.01Å
119	G	81	Confident	88.2	Confident	54 Å²	54	32.8 Å²	32.8	56%	0.557	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-2.1	-178.6	0	0	0	0	0	115.3	I117	I117-G119 PolarHBondContact O-N 3.32Å; I117-G119 VanDerWaalsContact O-N 3.11Å
120	Q	85.2	Confident	88.3	Confident	101 Å²	101	33 Å²	33	47%	0.472	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.3	175.7	-63.2	-62.1	-27.1	0	0	110.7	V116 I117 D118 Y122	V116-Q120 WeakPolarHBondContact CA-O 3.44Å; I117-Q120 PolarHBondContact N-O 3.48Å; I117-Q120 PolarHBondContact O-N 2.85Å; D118-Q120 VanDerWaalsContact C-N 3.25Å; D118-Q120 PolarHBondContact O-N 3.01Å; Q120-Y122 HydrophobicContact CB-CD2 4.47Å; Q120-Y122 HydrophobicContact CB-CE2 3.75Å; Q120-Y122 VanDerWaalsContact O-CD2 3.27Å; Q120-Y122 WeakPolarHBondContact O-CD2 3.39Å; Q120-Y122 WeakPolarHBondContact O-CE2 3.38Å
121	P	89.8	Confident	88.4	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.5	175	33.5	-33.6	0	0	0	111	V13 I17 P74 V116	V13-P121 HydrophobicContact CB-CG 3.99Å; V13-P121 HydrophobicContact CG1-CG 3.96Å; I17-P121 HydrophobicContact CD1-CB 3.94Å; I17-P121 HydrophobicContact CD1-CG 4.43Å; P74-P121 WeakPolarHBondContact CG-O 3.08Å; V116-P121 HydrophobicContact CG2-CB 4.39Å
122	Y	89.5	Confident	88.5	Confident	40 Å²	40	34 Å²	34	16%	0.157	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145	176.7	-65.8	-98.4	0	0	0	110.5	P74 L76 I115 I117 Q120 L124 I234	P74-Y122 HydrophobicContact CB-CD1 3.54Å; P74-Y122 HydrophobicContact CB-CE1 3.67Å; P74-Y122 HydrophobicContact CG-CD1 3.55Å; P74-Y122 HydrophobicContact CG-CE1 3.81Å; P74-Y122 HydrophobicContact CG-CG 4.09Å; P74-Y122 WeakPolarHBondContact O-CA 3.15Å; L76-Y122 HydrophobicContact CD1-CD1 4.07Å; L76-Y122 HydrophobicContact CD1-CG 3.96Å; L76-Y122 HydrophobicContact CD2-CD1 4.13Å; L76-Y122 HydrophobicContact CG-CD1 3.96Å; L76-Y122 HydrophobicContact CG-CG 4.27Å; I115-Y122 PolarHBondContact N-O 3.11Å; I115-Y122 PolarHBondContact O-N 3.37Å; I117-Y122 HydrophobicContact CB-CD2 4.36Å; I117-Y122 HydrophobicContact CB-CE2 4.16Å; Q120-Y122 HydrophobicContact CB-CD2 4.47Å; Q120-Y122 HydrophobicContact CB-CE2 3.75Å; Q120-Y122 VanDerWaalsContact O-CD2 3.27Å; Q120-Y122 WeakPolarHBondContact O-CD2 3.39Å; Q120-Y122 WeakPolarHBondContact O-CE2 3.38Å; Y122-L124 PolarHBondContact O-N 3.14Å; Y122-I234 HydrophobicContact CD2-CD1 4.36Å; Y122-I234 HydrophobicContact CE1-CD1 4.15Å; Y122-I234 HydrophobicContact CE1-CG1 4.35Å; Y122-I234 HydrophobicContact CE2-CD1 3.85Å
123	L	89.1	Confident	88.6	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.6	167.9	177.3	56.3	0	0	0	109.1	I17 I21 V73 P74 E75 L76 K112 L125	I17-L123 HydrophobicContact CG1-CB 4.26Å; I17-L123 HydrophobicContact CG2-CD1 4.23Å; I21-L123 HydrophobicContact CG1-CD1 4.28Å; V73-L123 HydrophobicContact CG1-CB 4.12Å; P74-L123 PolarHBondContact O-N 3.35Å; E75-L123 CarbonylContact C-O 3.57Å; E75-L123 WeakPolarHBondContact CA-O 3.08Å; E75-L123 HydrophobicContact CG-CD2 4.46Å; L76-L123 PolarHBondContact N-O 2.89Å; K112-L123 HydrophobicContact CB-CD1 4.17Å; L123-L125 HydrophobicContact CD1-CD2 4.18Å; L123-L125 HydrophobicContact CD2-CD2 4.09Å; L123-L125 HydrophobicContact CG-CD2 3.86Å; L123-L125 HydrophobicContact CG-CG 4.36Å
124	L	91.9	Very high	88.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.5	173	179.4	59.8	0	0	0	109.6	L76 L78 Y95 K112 K113 I115 Y122 I126	L76-L124 HydrophobicContact CB-CD1 4.04Å; L78-L124 HydrophobicContact CB-CD1 3.88Å; L78-L124 HydrophobicContact CD2-CD1 4.29Å; Y95-L124 HydrophobicContact CE1-CD2 3.96Å; K112-L124 WeakPolarHBondContact CA-O 3.27Å; K113-L124 PolarHBondContact N-O 3.28Å; K113-L124 WeakPolarHBondContact O-CA 3.45Å; K113-L124 WeakPolarHBondContact O-CB 3.39Å; K113-L124 PolarHBondContact O-N 3.43Å; I115-L124 HydrophobicContact CG2-CB 3.96Å; Y122-L124 PolarHBondContact O-N 3.14Å; L124-I126 HydrophobicContact CD1-CG1 4.42Å; L124-I126 HydrophobicContact CD2-CD1 4.04Å; L124-I126 HydrophobicContact CD2-CG1 4.12Å; L124-I126 HydrophobicContact CG-CD1 4.28Å; L124-I126 HydrophobicContact CG-CG1 3.83Å
125	L	90.4	Very high	88.4	Confident	18 Å²	18	39.8 Å²	39.8	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.2	172	-56	179.6	0	0	0	108	L76 R77 L78 K112 L123 W140	L76-L125 PolarHBondContact O-N 2.72Å; R77-L125 HydrophobicContact CG-CB 4.43Å; R77-L125 HydrophobicContact CG-CD1 4.18Å; L78-L125 PolarHBondContact N-O 2.91Å; K112-L125 HydrophobicContact CB-CD2 4.46Å; K112-L125 HydrophobicContact CD-CD2 3.9Å; K112-L125 HydrophobicContact CG-CD2 3.72Å; L123-L125 HydrophobicContact CD1-CD2 4.18Å; L123-L125 HydrophobicContact CD2-CD2 4.09Å; L123-L125 HydrophobicContact CG-CD2 3.86Å; L123-L125 HydrophobicContact CG-CG 4.36Å; L125-W140 HydrophobicContact CB-CH2 3.96Å; L125-W140 HydrophobicContact CB-CZ2 3.89Å; L125-W140 HydrophobicContact CD1-CZ2 4.33Å
126	I	91.8	Very high	88.1	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127	-179.4	-51.5	-179.8	0	0	0	108.2	L78 L80 V92 Y95 L96 R110 F111 L124 F226	L78-I126 WeakPolarHBondContact O-CA 3.4Å; L80-I126 HydrophobicContact CD1-CG2 3.29Å; V92-I126 HydrophobicContact CG1-CG2 4.35Å; Y95-I126 HydrophobicContact CD1-CD1 4Å; Y95-I126 HydrophobicContact CE1-CD1 4Å; L96-I126 HydrophobicContact CD2-CD1 4.09Å; R110-I126 WeakPolarHBondContact CA-O 3.48Å; F111-I126 HydrophobicContact CB-CB 4.23Å; F111-I126 HydrophobicContact CD2-CB 4.37Å; F111-I126 HydrophobicContact CD2-CG2 4.36Å; F111-I126 PolarHBondContact N-O 3.22Å; F111-I126 PolarHBondContact O-N 2.92Å; L124-I126 HydrophobicContact CD1-CG1 4.42Å; L124-I126 HydrophobicContact CD2-CD1 4.04Å; L124-I126 HydrophobicContact CD2-CG1 4.12Å; L124-I126 HydrophobicContact CG-CD1 4.28Å; L124-I126 HydrophobicContact CG-CG1 3.83Å; I126-F226 HydrophobicContact CD1-CD1 4.33Å; I126-F226 HydrophobicContact CD1-CE1 4.01Å
127	R	90.8	Very high	88	Confident	12 Å²	12	41 Å²	41	5%	0.045	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.9	174	-178.2	171.6	167	160.7	-1.5	109.6	L78 G79 L80 R110 E129 F137 W140	L78-R127 PolarHBondContact O-N 3.08Å; G79-R127 CarbonylContact C-O 3.35Å; G79-R127 WeakPolarHBondContact CA-O 3.45Å; L80-R127 PolarHBondContact N-O 3.39Å; R110-R127 VanDerWaalsContact NH2-CZ 3.3Å; R127-E129 IonicContact CZ-OE1 3.98Å; R127-E129 IonicContact NE-OE1 3.13Å; R127-E129 PolarHBondContact NE-OE1 3.22Å; R127-E129 IonicContact NH2-OE1 3.97Å; R127-E129 PolarHBondContact NH2-OE1 3.38Å; R127-F137 HydrophobicContact CB-CE2 4.47Å; R127-F137 HydrophobicContact CG-CD2 4.07Å; R127-F137 HydrophobicContact CG-CE2 4.21Å; R127-W140 HydrophobicContact CB-CE3 4.18Å; R127-W140 HydrophobicContact CB-CH2 3.68Å; R127-W140 HydrophobicContact CB-CZ3 3.44Å; R127-W140 VanDerWaalsContact CB-CZ3 3.44Å; R127-W140 HydrophobicContact CG-CZ3 4.44Å
128	E	91.4	Very high	88.2	Confident	5 Å²	5	40.4 Å²	40.4	2%	0.023	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.1	174.4	-177.3	-172.8	162.9	0	0	109.1	L80 K88 S89 G108 G109	L80-E128 HydrophobicContact CB-CB 4.44Å; L80-E128 HydrophobicContact CB-CG 4.39Å; K88-E128 HydrophobicContact CD-CG 3.97Å; K88-E128 WeakPolarHBondContact CD-OE1 3.46Å; K88-E128 WeakPolarHBondContact CE-OE1 3.34Å; K88-E128 VanDerWaalsContact CG-OE1 3.25Å; K88-E128 WeakPolarHBondContact CG-OE1 3.22Å; K88-E128 IonicContact NZ-OE1 3.96Å; K88-E128 PolarHBondContact NZ-OE1 3.34Å; S89-E128 WeakPolarHBondContact CA-OE1 3.29Å; S89-E128 PolarHBondContact N-OE1 3.09Å; S89-E128 PolarHBondContact OG-OE1 3.42Å; G108-E128 VanDerWaalsContact CA-O 3.26Å; G108-E128 WeakPolarHBondContact CA-O 3.25Å; G109-E128 PolarHBondContact N-O 3.31Å; G109-E128 PolarHBondContact O-N 3.44Å
129	E	89.1	Confident	88.3	Confident	24 Å²	24	39 Å²	39	11%	0.112	21%	0.21	C	C	.	.			trans	-97.6	135.6	172.5	-62.4	-75.8	135.6	0	0	110.1	L80 L81 K88 R127 G131 F137	L80-E129 PolarHBondContact O-N 3.21Å; L81-E129 HydrophobicContact CD2-CB 3.84Å; L81-E129 HydrophobicContact CD2-CG 3.86Å; K88-E129 WeakPolarHBondContact CE-O 3.3Å; R127-E129 IonicContact CZ-OE1 3.98Å; R127-E129 IonicContact NE-OE1 3.13Å; R127-E129 PolarHBondContact NE-OE1 3.22Å; R127-E129 IonicContact NH2-OE1 3.97Å; R127-E129 PolarHBondContact NH2-OE1 3.38Å; E129-G131 PolarHBondContact O-N 3.49Å; E129-F137 HydrophobicContact CG-CD2 3.41Å; E129-F137 VanDerWaalsContact CG-CD2 3.41Å; E129-F137 HydrophobicContact CG-CE2 3.58Å; E129-F137 HydrophobicContact CG-CG 3.92Å; E129-F137 HydrophobicContact CG-CZ 4.22Å; E129-F137 WeakPolarHBondContact OE1-CD2 3.49Å
130	G	82.8	Confident	88.6	Confident	12 Å²	12	38.5 Å²	38.5	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	-74.4	-11	171.8	0	0	0	0	0	114.4	L84 P106	L84-G130 VanDerWaalsContact CD2-O 3.24Å; L84-G130 WeakPolarHBondContact CD2-O 3.46Å; P106-G130 WeakPolarHBondContact O-CA 3.46Å
131	G	85.5	Confident	88.9	Confident	21 Å²	21	33.8 Å²	33.8	22%	0.216	17%	0.17	C	C	.	.	S	Bend	trans	-146.8	-164.4	-170.3	0	0	0	0	0	114.7	E129	E129-G131 PolarHBondContact O-N 3.49Å
132	P	88.5	Confident	89.1	Confident	66 Å²	66	35.1 Å²	35.1	43%	0.429	18%	0.177	S	C	.	.	S	Bend	trans	-69.9	133.1	-175.8	28.4	-34.3	0	0	0	111.6	Y162 K165	P132-Y162 HydrophobicContact CB-CD1 3.9Å; P132-Y162 HydrophobicContact CB-CE1 3.6Å; P132-K165 HydrophobicContact CB-CD 3.94Å; P132-K165 PolarHBondContact O-NZ 3.34Å
133	P	89.9	Confident	89.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-54.2	139.2	-167.2	20.4	-33.7	0	0	0	113.8	L81 F137 Y162 K165 M166	L81-P133 HydrophobicContact CD1-CB 3.8Å; L81-P133 HydrophobicContact CD1-CG 3.81Å; L81-P133 HydrophobicContact CD2-CB 3.92Å; L81-P133 HydrophobicContact CD2-CG 4.44Å; P133-F137 HydrophobicContact CB-CD1 4.05Å; P133-F137 HydrophobicContact CB-CE1 4.44Å; P133-Y162 WeakPolarHBondContact CG-O 3.34Å; P133-K165 HydrophobicContact CG-CB 4.33Å; P133-K165 HydrophobicContact CG-CD 4.37Å; P133-K165 VanDerWaalsContact O-CD 3.29Å; P133-K165 WeakPolarHBondContact O-CD 3.21Å; P133-K165 WeakPolarHBondContact O-CE 3.31Å; P133-K165 PolarHBondContact O-NZ 3.35Å; P133-M166 HydrophobicContact CG-CB 4.3Å
134	E	86.6	Confident	89.6	Confident	99 Å²	99	33.1 Å²	33.1	46%	0.463	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-92	160	173.8	-61	-163.3	153.7	0	0	112.7	Q136 F137 T138	E134-Q136 VanDerWaalsContact C-N 3.26Å; E134-Q136 PolarHBondContact O-N 3.43Å; E134-F137 PolarHBondContact O-N 2.93Å; E134-T138 PolarHBondContact O-N 2.94Å; E134-T138 PolarHBondContact O-OG1 3.49Å
135	Q	88	Confident	89.8	Confident	116 Å²	116	33.1 Å²	33.1	54%	0.542	17%	0.169	S	C	.	.	H	α-helix	trans	-57.3	-39.8	176.3	-172.9	177.7	8.3	0	0	112	T138 H139 Y169	Q135-T138 PolarHBondContact O-N 3.42Å; Q135-H139 PolarHBondContact O-N 2.9Å; Q135-H139 PolarHBondContact O-ND1 3.43Å; Q135-Y169 HydrophobicContact CB-CD1 3.77Å; Q135-Y169 HydrophobicContact CB-CD2 4.26Å; Q135-Y169 HydrophobicContact CB-CE1 3.9Å; Q135-Y169 HydrophobicContact CB-CE2 4.38Å; Q135-Y169 HydrophobicContact CB-CG 3.97Å; Q135-Y169 HydrophobicContact CG-CD1 3.8Å; Q135-Y169 HydrophobicContact CG-CE1 4.35Å; Q135-Y169 HydrophobicContact CG-CG 4.08Å
136	Q	85.5	Confident	90	Very high	132 Å²	132	32.2 Å²	32.2	62%	0.617	16%	0.164	S	C	*	.	H	α-helix	trans	-64.1	-46.4	179.1	-60.6	-172.8	15.8	0	0	111.6	E134 T138 H139 W140	E134-Q136 VanDerWaalsContact C-N 3.26Å; E134-Q136 PolarHBondContact O-N 3.43Å; Q136-T138 PolarHBondContact O-N 3.11Å; Q136-H139 PolarHBondContact O-N 3.41Å; Q136-W140 WeakPolarHBondContact O-CB 3.42Å; Q136-W140 PolarHBondContact O-N 3.37Å
137	F	89.3	Confident	90.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.2	-50.3	174.4	171.9	-88.1	0	0	0	111.3	L81 R127 E129 P133 E134 H139 W140 V141 V144	L81-F137 HydrophobicContact CD1-CE1 3.83Å; L81-F137 HydrophobicContact CD1-CZ 4.38Å; L81-F137 HydrophobicContact CD2-CD1 4.28Å; L81-F137 HydrophobicContact CD2-CE1 3.62Å; L81-F137 HydrophobicContact CD2-CE2 4.35Å; L81-F137 HydrophobicContact CD2-CZ 3.63Å; L81-F137 HydrophobicContact CG-CE1 3.76Å; L81-F137 HydrophobicContact CG-CZ 3.8Å; R127-F137 HydrophobicContact CB-CE2 4.47Å; R127-F137 HydrophobicContact CG-CD2 4.07Å; R127-F137 HydrophobicContact CG-CE2 4.21Å; E129-F137 HydrophobicContact CG-CD2 3.41Å; E129-F137 VanDerWaalsContact CG-CD2 3.41Å; E129-F137 HydrophobicContact CG-CE2 3.58Å; E129-F137 HydrophobicContact CG-CG 3.92Å; E129-F137 HydrophobicContact CG-CZ 4.22Å; E129-F137 WeakPolarHBondContact OE1-CD2 3.49Å; P133-F137 HydrophobicContact CB-CD1 4.05Å; P133-F137 HydrophobicContact CB-CE1 4.44Å; E134-F137 PolarHBondContact O-N 2.93Å; F137-H139 VanDerWaalsContact C-N 3.26Å; F137-H139 PolarHBondContact O-N 3.2Å; F137-W140 PolarHBondContact O-N 2.9Å; F137-V141 HydrophobicContact CD1-CG1 4.31Å; F137-V141 HydrophobicContact CD2-CG1 4.25Å; F137-V141 HydrophobicContact CE1-CG1 3.93Å; F137-V141 HydrophobicContact CE2-CG1 3.9Å; F137-V141 HydrophobicContact CG-CG1 4.45Å; F137-V141 HydrophobicContact CZ-CG1 3.75Å; F137-V141 PolarHBondContact O-N 3.23Å; F137-V141 VanDerWaalsContact O-N 3.16Å; F137-V144 HydrophobicContact CE1-CG2 4.28Å
138	T	90.2	Very high	90.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-27.4	-176.5	-59.8	0	0	0	0	113.9	E134 Q135 Q136 M166 R170	E134-T138 PolarHBondContact O-N 2.94Å; E134-T138 PolarHBondContact O-OG1 3.49Å; Q135-T138 PolarHBondContact O-N 3.42Å; Q136-T138 PolarHBondContact O-N 3.11Å; T138-M166 HydrophobicContact CG2-CG 3.67Å; T138-R170 HydrophobicContact CG2-CB 3.61Å; T138-R170 PolarHBondContact O-NH1 3.18Å
139	H	88	Confident	90.6	Very high	104 Å²	104	31.5 Å²	31.5	48%	0.481	16%	0.162	S	C	.	.	H	α-helix	trans	-85	-23.7	173.9	-71.9	77.9	0	0	0	113.4	Q135 Q136 F137 Y169	Q135-H139 PolarHBondContact O-N 2.9Å; Q135-H139 PolarHBondContact O-ND1 3.43Å; Q136-H139 PolarHBondContact O-N 3.41Å; F137-H139 VanDerWaalsContact C-N 3.26Å; F137-H139 PolarHBondContact O-N 3.2Å; H139-Y169 PolarHBondContact CE1-O 2.99Å
140	W	87.8	Confident	90.8	Very high	45 Å²	45	30.4 Å²	30.4	17%	0.17	16%	0.156	C	C	.	.	H	α-helix	trans	-80.3	-34.4	-178.7	176.8	92.6	0	0	0	113.5	R77 L125 R127 Q136 F137	R77-W140 HydrophobicContact CB-CD2 4.3Å; R77-W140 HydrophobicContact CB-CE3 4.12Å; R77-W140 HydrophobicContact CB-CH2 3.86Å; R77-W140 HydrophobicContact CB-CZ2 4.06Å; R77-W140 HydrophobicContact CB-CZ3 3.89Å; R77-W140 WeakPolarHBondContact CD-O 3.31Å; R77-W140 HydrophobicContact CG-CD2 4.5Å; R77-W140 HydrophobicContact CG-CH2 4.19Å; R77-W140 HydrophobicContact CG-CZ2 3.9Å; L125-W140 HydrophobicContact CB-CH2 3.96Å; L125-W140 HydrophobicContact CB-CZ2 3.89Å; L125-W140 HydrophobicContact CD1-CZ2 4.33Å; R127-W140 HydrophobicContact CB-CE3 4.18Å; R127-W140 HydrophobicContact CB-CH2 3.68Å; R127-W140 HydrophobicContact CB-CZ3 3.44Å; R127-W140 VanDerWaalsContact CB-CZ3 3.44Å; R127-W140 HydrophobicContact CG-CZ3 4.44Å; Q136-W140 WeakPolarHBondContact O-CB 3.42Å; Q136-W140 PolarHBondContact O-N 3.37Å; F137-W140 PolarHBondContact O-N 2.9Å
141	V	91.9	Very high	91.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.168	C	C	.	.			trans	-71.9	140.7	-175.6	-66.3	0	0	0	0	113.9	F137 V144 R170 I175	F137-V141 HydrophobicContact CD1-CG1 4.31Å; F137-V141 HydrophobicContact CD2-CG1 4.25Å; F137-V141 HydrophobicContact CE1-CG1 3.93Å; F137-V141 HydrophobicContact CE2-CG1 3.9Å; F137-V141 HydrophobicContact CG-CG1 4.45Å; F137-V141 HydrophobicContact CZ-CG1 3.75Å; F137-V141 PolarHBondContact O-N 3.23Å; F137-V141 VanDerWaalsContact O-N 3.16Å; V141-V144 HydrophobicContact CB-CG2 4.11Å; V141-V144 HydrophobicContact CG1-CG2 4.28Å; V141-V144 HydrophobicContact CG2-CG2 3.69Å; V141-R170 PolarHBondContact O-NH1 2.96Å; V141-I175 HydrophobicContact CG2-CD1 4.41Å
142	D	92.6	Very high	91.5	Very high	34 Å²	34	34.5 Å²	34.5	18%	0.182	17%	0.166	C	C	.	.	S	Bend	trans	-88.7	-34.9	164.6	-63.6	-70.9	0	0	0	111.7	R77 P176 I233 R237	R77-D142 WeakPolarHBondContact CA-OD2 3.15Å; R77-D142 VanDerWaalsContact CB-OD2 3.27Å; R77-D142 WeakPolarHBondContact CB-OD2 3.25Å; R77-D142 PolarHBondContact N-OD2 3.05Å; R77-D142 WeakPolarHBondContact O-CB 3.43Å; R77-D142 PolarHBondContact O-N 2.87Å; D142-P176 VanDerWaalsContact O-CD 3.29Å; D142-P176 WeakPolarHBondContact O-CD 3.44Å; D142-I233 HydrophobicContact CB-CB 4.38Å; D142-I233 HydrophobicContact CB-CD1 3.87Å; D142-I233 HydrophobicContact CB-CG1 3.82Å; D142-I233 HydrophobicContact CB-CG2 3.64Å; D142-R237 IonicContact OD1-CZ 2.7Å; D142-R237 IonicContact OD1-NE 3.58Å; D142-R237 IonicContact OD1-NH2 3.3Å; D142-R237 PolarHBondContact OD1-NH2 3.49Å; D142-R237 IonicContact OD2-CZ 3.04Å; D142-R237 IonicContact OD2-NH2 3.41Å; D142-R237 PolarHBondContact OD2-NH2 3.44Å
143	A	94.3	Very high	91.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159.5	174.1	0	0	0	0	0	111.7	R77 L78 G79 P176 I233	R77-A143 PolarHBondContact O-N 3.41Å; L78-A143 HydrophobicContact CD1-CB 4.12Å; G79-A143 PolarHBondContact N-O 3.07Å; A143-P176 WeakPolarHBondContact CA-O 3.38Å; A143-P176 HydrophobicContact CB-CB 4.23Å; A143-P176 WeakPolarHBondContact CB-O 3.26Å; A143-I233 HydrophobicContact CB-CD1 3.81Å; A143-I233 HydrophobicContact CB-CG1 3.45Å; A143-I233 VanDerWaalsContact CB-CG1 3.45Å
144	V	95.1	Very high	91.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.3	-179	177.5	0	0	0	0	111.9	G79 L81 F137 V141 F146 M166 I175 P176 L177 V178	G79-V144 WeakPolarHBondContact O-CA 3.46Å; L81-V144 HydrophobicContact CB-CG1 4.46Å; L81-V144 HydrophobicContact CD1-CG1 3.89Å; L81-V144 HydrophobicContact CG-CG1 4.04Å; F137-V144 HydrophobicContact CE1-CG2 4.28Å; V141-V144 HydrophobicContact CB-CG2 4.11Å; V141-V144 HydrophobicContact CG1-CG2 4.28Å; V141-V144 HydrophobicContact CG2-CG2 3.69Å; V144-F146 HydrophobicContact CG1-CD2 4.23Å; V144-F146 HydrophobicContact CG1-CE1 4.43Å; V144-F146 HydrophobicContact CG1-CE2 3.97Å; V144-F146 HydrophobicContact CG1-CZ 4.07Å; V144-M166 HydrophobicContact CB-CE 4.3Å; V144-M166 HydrophobicContact CG1-SD 4.46Å; V144-M166 HydrophobicContact CG2-CE 3.65Å; V144-M166 HydrophobicContact CG2-SD 4.08Å; V144-I175 HydrophobicContact CG2-CG2 4.3Å; V144-P176 PolarHBondContact N-O 3.38Å; V144-P176 VanDerWaalsContact N-O 3.11Å; V144-L177 HydrophobicContact CB-CD2 4.04Å; V144-L177 WeakPolarHBondContact O-CA 3.39Å; V144-V178 PolarHBondContact O-N 2.9Å
145	I	96.2	Very high	92.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.8	168.6	-57.7	169.5	0	0	0	108.3	L78 G79 L80 L81 V147 V178 V180 V225 F226 A229	L78-I145 HydrophobicContact CD1-CD1 4.03Å; L78-I145 HydrophobicContact CD1-CG1 4.04Å; L78-I145 HydrophobicContact CD2-CD1 3.86Å; L78-I145 HydrophobicContact CG-CD1 4.17Å; G79-I145 PolarHBondContact O-N 3.44Å; L80-I145 WeakPolarHBondContact CA-O 3.44Å; L80-I145 HydrophobicContact CD2-CB 4.46Å; L80-I145 HydrophobicContact CG-CB 4.23Å; L80-I145 HydrophobicContact CG-CD1 4.49Å; L81-I145 PolarHBondContact N-O 3.11Å; I145-V147 HydrophobicContact CG2-CG2 3.91Å; I145-V178 CarbonylContact C-O 3.52Å; I145-V178 WeakPolarHBondContact CA-O 3.23Å; I145-V178 HydrophobicContact CG1-CB 4.26Å; I145-V180 HydrophobicContact CG2-CB 4.29Å; I145-V180 HydrophobicContact CG2-CG2 3.51Å; I145-V225 HydrophobicContact CD1-CG1 3.96Å; I145-V225 HydrophobicContact CG2-CG1 4.35Å; I145-F226 HydrophobicContact CD1-CD1 4.33Å; I145-F226 HydrophobicContact CD1-CE1 4.3Å; I145-A229 HydrophobicContact CD1-CB 4.19Å; I145-A229 HydrophobicContact CG1-CB 4.26Å
146	F	95.7	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.8	168	-72	-76.1	0	0	0	109.9	L81 V144 V159 Y163 M166 L177 V178 L179 V180	L81-F146 HydrophobicContact CB-CD1 3.88Å; L81-F146 HydrophobicContact CB-CE1 3.97Å; L81-F146 HydrophobicContact CD1-CD1 4.34Å; L81-F146 HydrophobicContact CD1-CE1 3.59Å; L81-F146 HydrophobicContact CD1-CZ 4.05Å; L81-F146 HydrophobicContact CG-CE1 4.41Å; L81-F146 CarbonylContact O-C 3.53Å; L81-F146 WeakPolarHBondContact O-CA 3.34Å; V144-F146 HydrophobicContact CG1-CD2 4.23Å; V144-F146 HydrophobicContact CG1-CE1 4.43Å; V144-F146 HydrophobicContact CG1-CE2 3.97Å; V144-F146 HydrophobicContact CG1-CZ 4.07Å; F146-V159 HydrophobicContact CB-CG1 3.8Å; F146-V159 HydrophobicContact CB-CG2 4.35Å; F146-V159 HydrophobicContact CD1-CG1 3.9Å; F146-V159 HydrophobicContact CG-CG1 3.88Å; F146-Y163 HydrophobicContact CE2-CD2 4.28Å; F146-Y163 HydrophobicContact CZ-CD2 4.31Å; F146-M166 HydrophobicContact CZ-SD 4Å; F146-L177 HydrophobicContact CE2-CD1 4.43Å; F146-L177 HydrophobicContact CE2-CD2 4.13Å; F146-V178 PolarHBondContact N-O 2.91Å; F146-L179 HydrophobicContact CB-CD1 3.88Å; F146-V180 PolarHBondContact O-N 3.46Å
147	V	95.8	Very high	92.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.2	-177.5	-168.3	0	0	0	0	109.8	L80 L81 G82 S86 K88 L91 I145 V180 T182	L80-V147 HydrophobicContact CD2-CG2 4.2Å; L81-V147 PolarHBondContact O-N 3.31Å; G82-V147 WeakPolarHBondContact CA-O 3.41Å; S86-V147 VanDerWaalsContact CB-O 3.31Å; S86-V147 WeakPolarHBondContact CB-O 3.32Å; S86-V147 WeakPolarHBondContact O-CG1 3.45Å; K88-V147 HydrophobicContact CB-CB 4.24Å; K88-V147 HydrophobicContact CB-CG1 4.41Å; K88-V147 HydrophobicContact CB-CG2 4.33Å; L91-V147 HydrophobicContact CD2-CG1 4.34Å; L91-V147 HydrophobicContact CD2-CG2 4.12Å; I145-V147 HydrophobicContact CG2-CG2 3.91Å; V147-V180 WeakPolarHBondContact CA-O 3.47Å; V147-T182 HydrophobicContact CG1-CG2 3.6Å
148	F	95.3	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.6	170.8	71.6	-87.4	0	0	0	110.1	L150 F156 V159 L179 V180 G181 T182 I194 A199 Y211	F148-L150 HydrophobicContact CE2-CD2 3.83Å; F148-L150 HydrophobicContact CE2-CG 4.26Å; F148-L150 HydrophobicContact CZ-CD2 4.29Å; F148-F156 HydrophobicContact CD1-CD2 4.42Å; F148-F156 HydrophobicContact CD2-CB 4.14Å; F148-F156 AromaticContact CD2-CD2 3.74Å; F148-F156 HydrophobicContact CD2-CD2 3.74Å; F148-F156 HydrophobicContact CD2-CG 4.46Å; F148-F156 HydrophobicContact CE1-CD2 4.36Å; F148-F156 AromaticContact CE2-CD2 3.67Å; F148-F156 HydrophobicContact CE2-CD2 3.67Å; F148-F156 HydrophobicContact CE2-CE2 4.32Å; F148-F156 HydrophobicContact CG-CB 4.49Å; F148-F156 HydrophobicContact CG-CD2 4.12Å; F148-F156 HydrophobicContact CZ-CD2 4Å; F148-F156 HydrophobicContact CZ-CE2 4.27Å; F148-V159 HydrophobicContact CB-CG2 4.07Å; F148-L179 HydrophobicContact CD1-CD1 3.84Å; F148-L179 HydrophobicContact CD1-CG 4.33Å; F148-L179 HydrophobicContact CE1-CD1 3.86Å; F148-L179 HydrophobicContact CE1-CD2 4.12Å; F148-L179 HydrophobicContact CE1-CG 3.86Å; F148-V180 VanDerWaalsContact CD1-O 3.24Å; F148-V180 WeakPolarHBondContact CD1-O 3.49Å; F148-V180 PolarHBondContact N-O 3.42Å; F148-G181 CarbonylContact O-C 3.53Å; F148-G181 WeakPolarHBondContact O-CA 3.27Å; F148-T182 PolarHBondContact O-N 3.08Å; F148-T182 PolarHBondContact O-OG1 3.03Å; F148-I194 HydrophobicContact CD2-CD1 4.02Å; F148-I194 HydrophobicContact CE2-CB 4.46Å; F148-I194 HydrophobicContact CE2-CD1 4.13Å; F148-I194 HydrophobicContact CE2-CG2 4.08Å; F148-A199 HydrophobicContact CZ-CB 3.96Å; F148-Y211 HydrophobicContact CE1-CE2 4.05Å; F148-Y211 AromaticContact CZ-CE2 3.89Å; F148-Y211 HydrophobicContact CZ-CE2 3.89Å
149	S	94.4	Very high	93.2	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131	174.3	165.8	0	0	0	0	110.5	S85 K151 D152 S155 T182 I194	S85-S149 VanDerWaalsContact O-CB 3.27Å; S85-S149 WeakPolarHBondContact O-CB 3.39Å; S149-K151 PolarHBondContact O-N 3.12Å; S149-K151 PolarHBondContact OG-N 3.38Å; S149-D152 PolarHBondContact O-N 3.28Å; S149-S155 PolarHBondContact N-OG 2.72Å; S149-S155 PolarHBondContact O-OG 2.91Å; S149-T182 WeakPolarHBondContact CA-OG1 3.36Å; S149-I194 VanDerWaalsContact O-CD1 3.24Å; S149-I194 WeakPolarHBondContact O-CD1 3.18Å
150	L	93.5	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.4	179.7	-77.2	163.3	0	0	0	114	F148 T182 Q183 I186 R192 A193 I194 E213	F148-L150 HydrophobicContact CE2-CD2 3.83Å; F148-L150 HydrophobicContact CE2-CG 4.26Å; F148-L150 HydrophobicContact CZ-CD2 4.29Å; L150-T182 WeakPolarHBondContact CB-O 3.43Å; L150-T182 PolarHBondContact N-O 3.07Å; L150-Q183 HydrophobicContact CD1-CG 3.53Å; L150-I186 HydrophobicContact CB-CD1 3.96Å; L150-I186 HydrophobicContact CD1-CD1 4.46Å; L150-R192 HydrophobicContact CB-CB 4.49Å; L150-R192 CarbonylContact O-C 3.47Å; L150-A193 PolarHBondContact O-N 3.43Å; L150-I194 HydrophobicContact CD2-CB 4.31Å; L150-I194 HydrophobicContact CD2-CG2 4.44Å; L150-I194 PolarHBondContact O-N 2.96Å; L150-E213 HydrophobicContact CD1-CB 4.48Å; L150-E213 HydrophobicContact CD1-CG 4.03Å
151	K	92.3	Very high	93.6	Very high	86 Å²	86	30.9 Å²	30.9	37%	0.374	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-19	174.8	177.4	171.3	162.9	-179.1	0	113.3	S149 A185 S190 A193	S149-K151 PolarHBondContact O-N 3.12Å; S149-K151 PolarHBondContact OG-N 3.38Å; K151-A185 HydrophobicContact CB-CB 4.36Å; K151-A185 HydrophobicContact CD-CB 3.92Å; K151-A185 WeakPolarHBondContact CD-O 3.36Å; K151-A185 PolarHBondContact NZ-O 3.38Å; K151-S190 PolarHBondContact NZ-OG 2.79Å; K151-A193 WeakPolarHBondContact O-CB 3.46Å
152	D	90.3	Very high	93.7	Very high	33 Å²	33	32.4 Å²	32.4	18%	0.176	16%	0.16	C	C	.	.			trans	-112.9	102.1	-174.2	177.1	18.4	0	0	0	112	S85 S149 T154 S155 F156	S85-D152 VanDerWaalsContact CB-OD2 3.25Å; S85-D152 WeakPolarHBondContact CB-OD2 3.37Å; S85-D152 PolarHBondContact OG-OD2 2.83Å; S149-D152 PolarHBondContact O-N 3.28Å; D152-T154 VanDerWaalsContact CG-OG1 3.22Å; D152-T154 PolarHBondContact O-N 3.02Å; D152-T154 WeakPolarHBondContact OD1-CA 3.39Å; D152-T154 WeakPolarHBondContact OD1-CB 3.31Å; D152-T154 PolarHBondContact OD1-N 3.45Å; D152-T154 PolarHBondContact OD1-OG1 3.27Å; D152-T154 PolarHBondContact OD2-OG1 3Å; D152-S155 PolarHBondContact O-N 3.06Å; D152-S155 PolarHBondContact O-OG 3.46Å; D152-S155 PolarHBondContact OD1-N 3.49Å; D152-S155 WeakPolarHBondContact OD2-CB 3.43Å; D152-S155 PolarHBondContact OD2-N 3.42Å; D152-F156 PolarHBondContact O-N 2.93Å
153	E	91.8	Very high	93.7	Very high	92 Å²	92	32.7 Å²	32.7	43%	0.43	16%	0.159	S	C	.	.	H	α-helix	trans	-61.7	-25.3	175.4	-178.2	163.3	-147.9	0	0	113.3	F156 N157 R198	E153-F156 PolarHBondContact O-N 2.89Å; E153-N157 WeakPolarHBondContact O-CB 3.42Å; E153-N157 VanDerWaalsContact O-CG 3.29Å; E153-N157 PolarHBondContact O-N 3.01Å; E153-N157 PolarHBondContact O-ND2 2.6Å; E153-R198 IonicContact OE1-CZ 3.7Å; E153-R198 IonicContact OE1-NH1 2.84Å; E153-R198 PolarHBondContact OE1-NH1 2.87Å; E153-R198 IonicContact OE1-NH2 3.66Å; E153-R198 PolarHBondContact OE1-NH2 2.86Å
154	T	93.2	Very high	93.6	Very high	95 Å²	95	34.8 Å²	34.8	58%	0.583	18%	0.176	S	C	*	.	H	α-helix	trans	-70.5	-41.5	175.7	74.9	0	0	0	0	111.1	D152 F156 N157 A158	D152-T154 VanDerWaalsContact CG-OG1 3.22Å; D152-T154 PolarHBondContact O-N 3.02Å; D152-T154 WeakPolarHBondContact OD1-CA 3.39Å; D152-T154 WeakPolarHBondContact OD1-CB 3.31Å; D152-T154 PolarHBondContact OD1-N 3.45Å; D152-T154 PolarHBondContact OD1-OG1 3.27Å; D152-T154 PolarHBondContact OD2-OG1 3Å; T154-F156 VanDerWaalsContact C-N 3.32Å; T154-F156 PolarHBondContact O-N 2.98Å; T154-N157 PolarHBondContact O-N 2.78Å; T154-A158 WeakPolarHBondContact O-CB 3.23Å; T154-A158 PolarHBondContact O-N 2.9Å
155	S	93.5	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-40.4	171.7	77.7	0	0	0	0	112.5	S83 S149 D152 A158 V159	S83-S155 WeakPolarHBondContact OG-CA 3.16Å; S83-S155 WeakPolarHBondContact OG-CB 3.4Å; S149-S155 PolarHBondContact N-OG 2.72Å; S149-S155 PolarHBondContact O-OG 2.91Å; D152-S155 PolarHBondContact O-N 3.06Å; D152-S155 PolarHBondContact O-OG 3.46Å; D152-S155 PolarHBondContact OD1-N 3.49Å; D152-S155 WeakPolarHBondContact OD2-CB 3.43Å; D152-S155 PolarHBondContact OD2-N 3.42Å; S155-A158 WeakPolarHBondContact O-CB 3.17Å; S155-A158 PolarHBondContact O-N 3.24Å; S155-V159 PolarHBondContact O-N 2.98Å
156	F	94.4	Very high	93.2	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-45.6	177.2	-179.4	-91.6	0	0	0	112	F148 D152 E153 T154 A158 V159 Y160 I194 R198 L202	F148-F156 HydrophobicContact CD1-CD2 4.42Å; F148-F156 HydrophobicContact CD2-CB 4.14Å; F148-F156 AromaticContact CD2-CD2 3.74Å; F148-F156 HydrophobicContact CD2-CD2 3.74Å; F148-F156 HydrophobicContact CD2-CG 4.46Å; F148-F156 HydrophobicContact CE1-CD2 4.36Å; F148-F156 AromaticContact CE2-CD2 3.67Å; F148-F156 HydrophobicContact CE2-CD2 3.67Å; F148-F156 HydrophobicContact CE2-CE2 4.32Å; F148-F156 HydrophobicContact CG-CB 4.49Å; F148-F156 HydrophobicContact CG-CD2 4.12Å; F148-F156 HydrophobicContact CZ-CD2 4Å; F148-F156 HydrophobicContact CZ-CE2 4.27Å; D152-F156 PolarHBondContact O-N 2.93Å; E153-F156 PolarHBondContact O-N 2.89Å; T154-F156 VanDerWaalsContact C-N 3.32Å; T154-F156 PolarHBondContact O-N 2.98Å; F156-A158 VanDerWaalsContact C-N 3.31Å; F156-A158 PolarHBondContact O-N 3.02Å; F156-V159 PolarHBondContact O-N 3.4Å; F156-Y160 HydrophobicContact CE1-CE2 4.34Å; F156-I194 HydrophobicContact CB-CD1 3.64Å; F156-I194 HydrophobicContact CB-CG1 4.12Å; F156-I194 HydrophobicContact CD2-CD1 4.22Å; F156-I194 HydrophobicContact CD2-CG1 4.17Å; F156-I194 HydrophobicContact CD2-CG2 3.87Å; F156-I194 HydrophobicContact CE2-CG2 3.89Å; F156-I194 HydrophobicContact CG-CD1 4.12Å; F156-I194 HydrophobicContact CG-CG1 4.12Å; F156-R198 HydrophobicContact CE1-CG 4.03Å; F156-R198 HydrophobicContact CE2-CG 4.46Å; F156-R198 HydrophobicContact CZ-CG 3.7Å; F156-L202 HydrophobicContact CD2-CD2 3.92Å; F156-L202 HydrophobicContact CE1-CD2 4.39Å; F156-L202 HydrophobicContact CE2-CB 4.04Å; F156-L202 HydrophobicContact CE2-CD2 3.43Å; F156-L202 VanDerWaalsContact CE2-CD2 3.43Å; F156-L202 HydrophobicContact CE2-CG 4.38Å; F156-L202 HydrophobicContact CZ-CB 3.77Å; F156-L202 HydrophobicContact CZ-CD2 3.69Å; F156-L202 HydrophobicContact CZ-CG 4.33Å
157	N	93.5	Very high	92.9	Very high	62 Å²	62	40 Å²	40	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-69.1	-28.9	177.9	-68.5	-29.1	0	0	0	112.2	E153 T154 V159 Y160 H161	E153-N157 WeakPolarHBondContact O-CB 3.42Å; E153-N157 VanDerWaalsContact O-CG 3.29Å; E153-N157 PolarHBondContact O-N 3.01Å; E153-N157 PolarHBondContact O-ND2 2.6Å; T154-N157 PolarHBondContact O-N 2.78Å; N157-V159 VanDerWaalsContact C-N 3.29Å; N157-V159 PolarHBondContact O-N 3.05Å; N157-Y160 PolarHBondContact O-N 3.3Å; N157-H161 PolarHBondContact O-ND1 3.48Å
158	A	93.7	Very high	92.7	Very high	17 Å²	17	47.4 Å²	47.4	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-33.6	175.4	0	0	0	0	0	112.7	T154 S155 F156 Y160 H161 Y162	T154-A158 WeakPolarHBondContact O-CB 3.23Å; T154-A158 PolarHBondContact O-N 2.9Å; S155-A158 WeakPolarHBondContact O-CB 3.17Å; S155-A158 PolarHBondContact O-N 3.24Å; F156-A158 VanDerWaalsContact C-N 3.31Å; F156-A158 PolarHBondContact O-N 3.02Å; A158-Y160 PolarHBondContact O-N 2.91Å; A158-H161 PolarHBondContact O-N 3.18Å; A158-H161 VanDerWaalsContact O-N 3.11Å; A158-Y162 WeakPolarHBondContact O-CD1 3.38Å; A158-Y162 PolarHBondContact O-N 2.94Å
159	V	93.9	Very high	92.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-44.6	177.7	175	0	0	0	0	112.1	F146 F148 S155 F156 N157 H161 Y162 Y163 L179 L202 L206	F146-V159 HydrophobicContact CB-CG1 3.8Å; F146-V159 HydrophobicContact CB-CG2 4.35Å; F146-V159 HydrophobicContact CD1-CG1 3.9Å; F146-V159 HydrophobicContact CG-CG1 3.88Å; F148-V159 HydrophobicContact CB-CG2 4.07Å; S155-V159 PolarHBondContact O-N 2.98Å; F156-V159 PolarHBondContact O-N 3.4Å; N157-V159 VanDerWaalsContact C-N 3.29Å; N157-V159 PolarHBondContact O-N 3.05Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-H161 PolarHBondContact O-N 2.65Å; V159-Y162 PolarHBondContact O-N 3.21Å; V159-Y163 WeakPolarHBondContact O-CB 3.36Å; V159-Y163 PolarHBondContact O-N 3.46Å; V159-L179 HydrophobicContact CG1-CD1 4Å; V159-L202 HydrophobicContact CB-CD2 4.28Å; V159-L202 HydrophobicContact CG1-CD1 4.42Å; V159-L202 HydrophobicContact CG1-CD2 4.08Å; V159-L206 HydrophobicContact CG1-CD1 3.93Å
160	Y	91	Very high	92.1	Very high	87 Å²	87	53.9 Å²	53.9	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-58.8	-44.4	175.5	-84	-69.9	0	0	0	112.2	F156 N157 A158 A164 L202 D205	F156-Y160 HydrophobicContact CE1-CE2 4.34Å; N157-Y160 PolarHBondContact O-N 3.3Å; A158-Y160 PolarHBondContact O-N 2.91Å; Y160-A164 VanDerWaalsContact O-CB 3.3Å; Y160-A164 WeakPolarHBondContact O-CB 3.3Å; Y160-A164 PolarHBondContact O-N 3.14Å; Y160-L202 HydrophobicContact CD1-CD1 3.97Å; Y160-L202 HydrophobicContact CD2-CD1 3.95Å; Y160-L202 HydrophobicContact CE1-CD1 3.61Å; Y160-L202 HydrophobicContact CE2-CD1 3.6Å; Y160-L202 HydrophobicContact CG-CD1 4.13Å; Y160-L202 VanDerWaalsContact CZ-CD1 3.41Å; Y160-D205 HydrophobicContact CE1-CB 4.46Å; Y160-D205 PolarHBondContact OH-OD2 3.43Å; Y160-D205 VanDerWaalsContact OH-OD2 3.07Å
161	H	92.6	Very high	91.7	Very high	129 Å²	129	57.9 Å²	57.9	60%	0.597	29%	0.287	S	S	*	.	H	α-helix	trans	-66.6	-39.7	-179.5	-66.3	83.8	0	0	0	111.6	N157 A158 V159 K165	N157-H161 PolarHBondContact O-ND1 3.48Å; A158-H161 PolarHBondContact O-N 3.18Å; A158-H161 VanDerWaalsContact O-N 3.11Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-H161 PolarHBondContact O-N 2.65Å; H161-K165 WeakPolarHBondContact O-CB 3.32Å; H161-K165 PolarHBondContact O-N 3.1Å
162	Y	93.8	Very high	91.2	Very high	34 Å²	34	54.2 Å²	54.2	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-72.2	-40.7	179.6	-67.7	3	0	0	0	111.5	L81 P132 P133 A158 V159 K165 M166	L81-Y162 HydrophobicContact CB-CD2 4.26Å; P132-Y162 HydrophobicContact CB-CD1 3.9Å; P132-Y162 HydrophobicContact CB-CE1 3.6Å; P133-Y162 WeakPolarHBondContact CG-O 3.34Å; A158-Y162 WeakPolarHBondContact O-CD1 3.38Å; A158-Y162 PolarHBondContact O-N 2.94Å; V159-Y162 PolarHBondContact O-N 3.21Å; Y162-K165 PolarHBondContact O-N 2.69Å; Y162-M166 VanDerWaalsContact O-CB 3.31Å; Y162-M166 WeakPolarHBondContact O-CB 3.34Å; Y162-M166 PolarHBondContact O-N 2.9Å
163	Y	92.7	Very high	90.7	Very high	40 Å²	40	55.2 Å²	55.2	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-46	171.3	173.7	-103.8	0	0	0	111.9	F146 V159 K165 M166 A167 T172 L177 L206	F146-Y163 HydrophobicContact CE2-CD2 4.28Å; F146-Y163 HydrophobicContact CZ-CD2 4.31Å; V159-Y163 WeakPolarHBondContact O-CB 3.36Å; V159-Y163 PolarHBondContact O-N 3.46Å; Y163-K165 PolarHBondContact O-N 2.93Å; Y163-M166 PolarHBondContact O-N 3.29Å; Y163-A167 WeakPolarHBondContact O-CB 3.22Å; Y163-A167 PolarHBondContact O-N 3.07Å; Y163-T172 HydrophobicContact CD2-CG2 4.28Å; Y163-T172 HydrophobicContact CE2-CG2 3.73Å; Y163-T172 PolarHBondContact OH-OG1 3.17Å; Y163-T172 VanDerWaalsContact OH-OG1 3.07Å; Y163-L177 HydrophobicContact CD2-CD1 4.08Å; Y163-L177 HydrophobicContact CE2-CD1 3.72Å; Y163-L206 HydrophobicContact CD1-CD2 3.48Å; Y163-L206 VanDerWaalsContact CD1-CD2 3.48Å; Y163-L206 HydrophobicContact CD2-CD2 3.51Å; Y163-L206 HydrophobicContact CE1-CD2 3.95Å; Y163-L206 HydrophobicContact CE2-CD2 3.97Å; Y163-L206 HydrophobicContact CG-CD2 3.23Å
164	A	91.9	Very high	90.3	Very high	45 Å²	45	54 Å²	54	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-47.7	176.1	0	0	0	0	0	111.2	Y160 M166 A167 H168	Y160-A164 VanDerWaalsContact O-CB 3.3Å; Y160-A164 WeakPolarHBondContact O-CB 3.3Å; Y160-A164 PolarHBondContact O-N 3.14Å; A164-M166 PolarHBondContact O-N 3.07Å; A164-A167 PolarHBondContact O-N 2.84Å; A164-H168 PolarHBondContact O-N 3.4Å; A164-H168 PolarHBondContact O-ND1 2.93Å
165	K	91.8	Very high	90.1	Very high	64 Å²	64	49.8 Å²	49.8	28%	0.278	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-43.7	177.4	-167.1	-175	-179.3	-155	0	112	P132 P133 H161 Y162 Y163 A167 H168 Y169	P132-K165 HydrophobicContact CB-CD 3.94Å; P132-K165 PolarHBondContact O-NZ 3.34Å; P133-K165 HydrophobicContact CG-CB 4.33Å; P133-K165 HydrophobicContact CG-CD 4.37Å; P133-K165 VanDerWaalsContact O-CD 3.29Å; P133-K165 WeakPolarHBondContact O-CD 3.21Å; P133-K165 WeakPolarHBondContact O-CE 3.31Å; P133-K165 PolarHBondContact O-NZ 3.35Å; H161-K165 WeakPolarHBondContact O-CB 3.32Å; H161-K165 PolarHBondContact O-N 3.1Å; Y162-K165 PolarHBondContact O-N 2.69Å; Y163-K165 PolarHBondContact O-N 2.93Å; K165-A167 VanDerWaalsContact C-N 3.33Å; K165-A167 PolarHBondContact O-N 3.48Å; K165-H168 WeakPolarHBondContact O-CB 3.35Å; K165-H168 PolarHBondContact O-N 2.98Å; K165-H168 VanDerWaalsContact O-N 3.16Å; K165-Y169 WeakPolarHBondContact CE-OH 3.39Å; K165-Y169 HydrophobicContact CG-CE2 3.98Å; K165-Y169 WeakPolarHBondContact O-CD2 3.3Å
166	M	91.3	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-40.6	175.9	-178.2	179.1	164.9	0	0	112.3	L81 P133 T138 V144 F146 Y162 Y163 A164 H168 Y169 R170 T172 I175 L177	L81-M166 HydrophobicContact CD1-SD 4.48Å; P133-M166 HydrophobicContact CG-CB 4.3Å; T138-M166 HydrophobicContact CG2-CG 3.67Å; V144-M166 HydrophobicContact CB-CE 4.3Å; V144-M166 HydrophobicContact CG1-SD 4.46Å; V144-M166 HydrophobicContact CG2-CE 3.65Å; V144-M166 HydrophobicContact CG2-SD 4.08Å; F146-M166 HydrophobicContact CZ-SD 4Å; Y162-M166 VanDerWaalsContact O-CB 3.31Å; Y162-M166 WeakPolarHBondContact O-CB 3.34Å; Y162-M166 PolarHBondContact O-N 2.9Å; Y163-M166 PolarHBondContact O-N 3.29Å; A164-M166 PolarHBondContact O-N 3.07Å; M166-H168 PolarHBondContact O-N 3.47Å; M166-Y169 PolarHBondContact O-N 3.2Å; M166-R170 PolarHBondContact O-N 3.15Å; M166-R170 VanDerWaalsContact O-N 3.16Å; M166-T172 HydrophobicContact CG-CG2 4.45Å; M166-I175 HydrophobicContact CE-CB 4.34Å; M166-I175 HydrophobicContact CE-CD1 3.36Å; M166-I175 HydrophobicContact CE-CG1 4.45Å; M166-I175 HydrophobicContact CE-CG2 4.01Å; M166-L177 HydrophobicContact CE-CD2 4.12Å
167	A	90	Very high	90	Very high	46 Å²	46	51.2 Å²	51.2	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-16.4	177.4	0	0	0	0	0	114.5	Y163 A164 K165 T172	Y163-A167 WeakPolarHBondContact O-CB 3.22Å; Y163-A167 PolarHBondContact O-N 3.07Å; A164-A167 PolarHBondContact O-N 2.84Å; K165-A167 VanDerWaalsContact C-N 3.33Å; K165-A167 PolarHBondContact O-N 3.48Å; A167-T172 HydrophobicContact CB-CG2 3.83Å
168	H	90.9	Very high	90.1	Very high	157 Å²	157	48.3 Å²	48.3	73%	0.727	25%	0.249	S	C	*	.	H	α-helix	trans	-77.7	-21.5	170.4	-69.7	72.9	0	0	0	112.8	A164 K165 M166	A164-H168 PolarHBondContact O-N 3.4Å; A164-H168 PolarHBondContact O-ND1 2.93Å; K165-H168 WeakPolarHBondContact O-CB 3.35Å; K165-H168 PolarHBondContact O-N 2.98Å; K165-H168 VanDerWaalsContact O-N 3.16Å; M166-H168 PolarHBondContact O-N 3.47Å
169	Y	89.6	Confident	90.2	Very high	77 Å²	77	47.5 Å²	47.5	30%	0.302	24%	0.242	S	C	.	.	H	α-helix	trans	-101	-35.1	-175.6	-59.9	-47.1	0	0	0	113.9	Q135 H139 K165 M166	Q135-Y169 HydrophobicContact CB-CD1 3.77Å; Q135-Y169 HydrophobicContact CB-CD2 4.26Å; Q135-Y169 HydrophobicContact CB-CE1 3.9Å; Q135-Y169 HydrophobicContact CB-CE2 4.38Å; Q135-Y169 HydrophobicContact CB-CG 3.97Å; Q135-Y169 HydrophobicContact CG-CD1 3.8Å; Q135-Y169 HydrophobicContact CG-CE1 4.35Å; Q135-Y169 HydrophobicContact CG-CG 4.08Å; H139-Y169 PolarHBondContact CE1-O 2.99Å; K165-Y169 WeakPolarHBondContact CE-OH 3.39Å; K165-Y169 HydrophobicContact CG-CE2 3.98Å; K165-Y169 WeakPolarHBondContact O-CD2 3.3Å; M166-Y169 PolarHBondContact O-N 3.2Å
170	R	88	Confident	90.3	Very high	64 Å²	64	47.5 Å²	47.5	24%	0.242	24%	0.242	C	C	.	.	S	Bend	trans	-147	147	176.8	-177.5	163.1	157.8	-151.9	0.4	110	T138 V141 M166 T172 D174 I175	T138-R170 HydrophobicContact CG2-CB 3.61Å; T138-R170 PolarHBondContact O-NH1 3.18Å; V141-R170 PolarHBondContact O-NH1 2.96Å; M166-R170 PolarHBondContact O-N 3.15Å; M166-R170 VanDerWaalsContact O-N 3.16Å; R170-T172 PolarHBondContact O-N 2.95Å; R170-T172 VanDerWaalsContact O-N 3.13Å; R170-D174 PolarHBondContact NH2-O 2.87Å; R170-I175 HydrophobicContact CB-CD1 4.45Å; R170-I175 HydrophobicContact CG-CD1 4.04Å
171	N	85.2	Confident	90.6	Very high	84 Å²	84	43.4 Å²	43.4	45%	0.449	23%	0.226	S	C	.	.			trans	-61.3	116.3	173.3	169.8	26.4	0	0	0	110.1	A173 D174	N171-A173 PolarHBondContact O-N 2.99Å; N171-A173 WeakPolarHBondContact OD1-CB 3.43Å; N171-A173 PolarHBondContact OD1-N 3.43Å; N171-A173 VanDerWaalsContact OD1-N 3.09Å; N171-D174 WeakPolarHBondContact CB-OD2 3.37Å; N171-D174 VanDerWaalsContact ND2-CG 3.32Å; N171-D174 PolarHBondContact ND2-OD1 2.92Å; N171-D174 PolarHBondContact ND2-OD2 3.2Å; N171-D174 VanDerWaalsContact ND2-OD2 3.15Å; N171-D174 PolarHBondContact O-N 3.1Å; N171-D174 VanDerWaalsContact O-N 3.15Å
172	T	82.4	Confident	90.7	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.049	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	7.2	-178.3	59.7	0	0	0	0	113.8	Y163 M166 A167 R170 K207	Y163-T172 HydrophobicContact CD2-CG2 4.28Å; Y163-T172 HydrophobicContact CE2-CG2 3.73Å; Y163-T172 PolarHBondContact OH-OG1 3.17Å; Y163-T172 VanDerWaalsContact OH-OG1 3.07Å; M166-T172 HydrophobicContact CG-CG2 4.45Å; A167-T172 HydrophobicContact CB-CG2 3.83Å; R170-T172 PolarHBondContact O-N 2.95Å; R170-T172 VanDerWaalsContact O-N 3.13Å; T172-K207 PolarHBondContact O-NZ 3.1Å; T172-K207 WeakPolarHBondContact OG1-CE 3.27Å; T172-K207 PolarHBondContact OG1-NZ 3.48Å
173	A	80.2	Confident	90.6	Very high	55 Å²	55	37.6 Å²	37.6	46%	0.455	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.4	169.1	0	0	0	0	0	111.7	N171 I175	N171-A173 PolarHBondContact O-N 2.99Å; N171-A173 WeakPolarHBondContact OD1-CB 3.43Å; N171-A173 PolarHBondContact OD1-N 3.43Å; N171-A173 VanDerWaalsContact OD1-N 3.09Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 PolarHBondContact O-N 3.12Å
174	D	82.5	Confident	90.4	Very high	67 Å²	67	36.6 Å²	36.6	36%	0.358	20%	0.198	S	C	.	.	S	Bend	trans	-94.1	17.9	-171	-40.5	-28.8	0	0	0	111.9	R170 N171	R170-D174 PolarHBondContact NH2-O 2.87Å; N171-D174 WeakPolarHBondContact CB-OD2 3.37Å; N171-D174 VanDerWaalsContact ND2-CG 3.32Å; N171-D174 PolarHBondContact ND2-OD1 2.92Å; N171-D174 PolarHBondContact ND2-OD2 3.2Å; N171-D174 VanDerWaalsContact ND2-OD2 3.15Å; N171-D174 PolarHBondContact O-N 3.1Å; N171-D174 VanDerWaalsContact O-N 3.15Å
175	I	88.9	Confident	90.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	20%	0.196	C	C	.	.	S	Bend	trans	-147	117.7	-174.2	-57.1	173.3	0	0	0	108.1	V141 V144 M166 R170 A173 L177	V141-I175 HydrophobicContact CG2-CD1 4.41Å; V144-I175 HydrophobicContact CG2-CG2 4.3Å; M166-I175 HydrophobicContact CE-CB 4.34Å; M166-I175 HydrophobicContact CE-CD1 3.36Å; M166-I175 HydrophobicContact CE-CG1 4.45Å; M166-I175 HydrophobicContact CE-CG2 4.01Å; R170-I175 HydrophobicContact CB-CD1 4.45Å; R170-I175 HydrophobicContact CG-CD1 4.04Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 PolarHBondContact O-N 3.12Å; I175-L177 HydrophobicContact CG2-CD2 4.14Å; I175-L177 PolarHBondContact O-N 3.29Å
176	P	92.5	Very high	89.8	Confident	20 Å²	20	36 Å²	36	13%	0.13	20%	0.196	C	C	.	.			trans	-63	134.2	170.4	-23.4	34.8	0	0	0	112.6	D142 A143 V144 K232 H236	D142-P176 VanDerWaalsContact O-CD 3.29Å; D142-P176 WeakPolarHBondContact O-CD 3.44Å; A143-P176 WeakPolarHBondContact CA-O 3.38Å; A143-P176 HydrophobicContact CB-CB 4.23Å; A143-P176 WeakPolarHBondContact CB-O 3.26Å; V144-P176 PolarHBondContact N-O 3.38Å; V144-P176 VanDerWaalsContact N-O 3.11Å; P176-K232 HydrophobicContact CB-CB 3.72Å; P176-K232 HydrophobicContact CB-CD 4.47Å; P176-K232 HydrophobicContact CG-CB 4.14Å; P176-H236 HydrophobicContact CG-CB 4.05Å
177	L	94.1	Very high	89.3	Confident	15 Å²	15	40 Å²	40	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.3	179.6	-53.5	-179.1	0	0	0	111.1	V144 F146 Y163 M166 I175 C209	V144-L177 HydrophobicContact CB-CD2 4.04Å; V144-L177 WeakPolarHBondContact O-CA 3.39Å; F146-L177 HydrophobicContact CE2-CD1 4.43Å; F146-L177 HydrophobicContact CE2-CD2 4.13Å; Y163-L177 HydrophobicContact CD2-CD1 4.08Å; Y163-L177 HydrophobicContact CE2-CD1 3.72Å; M166-L177 HydrophobicContact CE-CD2 4.12Å; I175-L177 HydrophobicContact CG2-CD2 4.14Å; I175-L177 PolarHBondContact O-N 3.29Å; L177-C209 HydrophobicContact CB-CB 3.86Å; L177-C209 WeakPolarHBondContact O-CB 3.45Å
178	V	95	Very high	88.5	Confident	1 Å²	1	47 Å²	47	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.9	172.2	-177.8	0	0	0	0	108.7	V144 I145 F146 V180 Y212 V225 A229 K232	V144-V178 PolarHBondContact O-N 2.9Å; I145-V178 CarbonylContact C-O 3.52Å; I145-V178 WeakPolarHBondContact CA-O 3.23Å; I145-V178 HydrophobicContact CG1-CB 4.26Å; F146-V178 PolarHBondContact N-O 2.91Å; V178-V180 HydrophobicContact CG1-CG2 4.24Å; V178-Y212 HydrophobicContact CG1-CD2 3.7Å; V178-Y212 HydrophobicContact CG1-CE2 3.84Å; V178-V225 HydrophobicContact CG1-CG1 4.34Å; V178-A229 HydrophobicContact CG2-CB 4.14Å; V178-K232 HydrophobicContact CG2-CD 4.27Å
179	L	96.3	Very high	87.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132	177.6	-177.7	69.5	0	0	0	110.1	F146 F148 V159 L202 A203 L206 G210 Y211 Y212	F146-L179 HydrophobicContact CB-CD1 3.88Å; F148-L179 HydrophobicContact CD1-CD1 3.84Å; F148-L179 HydrophobicContact CD1-CG 4.33Å; F148-L179 HydrophobicContact CE1-CD1 3.86Å; F148-L179 HydrophobicContact CE1-CD2 4.12Å; F148-L179 HydrophobicContact CE1-CG 3.86Å; V159-L179 HydrophobicContact CG1-CD1 4Å; L179-L202 HydrophobicContact CD1-CD2 4.02Å; L179-L202 HydrophobicContact CD1-CG 4.49Å; L179-L202 HydrophobicContact CD2-CB 4.22Å; L179-L202 HydrophobicContact CD2-CD2 3.89Å; L179-L202 HydrophobicContact CD2-CG 3.8Å; L179-A203 HydrophobicContact CD2-CB 3.84Å; L179-L206 HydrophobicContact CD1-CD1 4.17Å; L179-G210 PolarHBondContact N-O 3.49Å; L179-Y211 HydrophobicContact CB-CD2 4.42Å; L179-Y211 HydrophobicContact CD2-CD2 3.99Å; L179-Y211 HydrophobicContact CG-CD2 4.09Å; L179-Y211 WeakPolarHBondContact O-CA 3.45Å; L179-Y212 PolarHBondContact O-N 3.19Å
180	V	96.6	Very high	86.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.2	-174.9	-180	0	0	0	0	110.9	L91 I145 F146 V147 F148 V178 T182 Y212 T214 V225	L91-V180 HydrophobicContact CD2-CG1 4.01Å; I145-V180 HydrophobicContact CG2-CB 4.29Å; I145-V180 HydrophobicContact CG2-CG2 3.51Å; F146-V180 PolarHBondContact O-N 3.46Å; V147-V180 WeakPolarHBondContact CA-O 3.47Å; F148-V180 VanDerWaalsContact CD1-O 3.24Å; F148-V180 WeakPolarHBondContact CD1-O 3.49Å; F148-V180 PolarHBondContact N-O 3.42Å; V178-V180 HydrophobicContact CG1-CG2 4.24Å; V180-T182 HydrophobicContact CG1-CG2 4.44Å; V180-Y212 WeakPolarHBondContact CA-O 3.41Å; V180-T214 HydrophobicContact CG1-CG2 3.73Å; V180-T214 WeakPolarHBondContact CG1-OG1 3.41Å; V180-V225 HydrophobicContact CG2-CG1 3.61Å; V180-V225 HydrophobicContact CG2-CG2 4.11Å
181	G	95.7	Very high	86	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.4	165.3	0	0	0	0	0	110.5	F148 Y212 E213 T214	F148-G181 CarbonylContact O-C 3.53Å; F148-G181 WeakPolarHBondContact O-CA 3.27Å; G181-Y212 PolarHBondContact N-O 3.1Å; G181-E213 CarbonylContact O-C 3.59Å; G181-E213 WeakPolarHBondContact O-CA 2.97Å; G181-T214 PolarHBondContact O-N 3.09Å; G181-T214 PolarHBondContact O-OG1 3.26Å
182	T	94.9	Very high	86.2	Confident	2 Å²	2	42 Å²	42	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	139.3	174.4	63.2	0	0	0	0	111	S86 V147 F148 S149 L150 V180 T214	S86-T182 VanDerWaalsContact O-CG2 3.24Å; S86-T182 WeakPolarHBondContact O-CG2 3.25Å; S86-T182 PolarHBondContact O-OG1 3.27Å; V147-T182 HydrophobicContact CG1-CG2 3.6Å; F148-T182 PolarHBondContact O-N 3.08Å; F148-T182 PolarHBondContact O-OG1 3.03Å; S149-T182 WeakPolarHBondContact CA-OG1 3.36Å; L150-T182 WeakPolarHBondContact CB-O 3.43Å; L150-T182 PolarHBondContact N-O 3.07Å; V180-T182 HydrophobicContact CG1-CG2 4.44Å; T182-T214 CarbonylContact C-O 3.51Å; T182-T214 WeakPolarHBondContact CA-O 3.4Å
183	Q	92.7	Very high	86.5	Confident	39 Å²	39	44.2 Å²	44.2	18%	0.182	28%	0.279	C	S	.	.			trans	-100	-3.4	179.2	-65	178	-8.6	0	0	112.8	L150 A185 I186 E213 T214 C215 Y218	L150-Q183 HydrophobicContact CD1-CG 3.53Å; Q183-A185 PolarHBondContact O-N 3.07Å; Q183-I186 HydrophobicContact CB-CD1 3.98Å; Q183-I186 HydrophobicContact CG-CD1 4.04Å; Q183-I186 WeakPolarHBondContact O-CB 3.41Å; Q183-I186 WeakPolarHBondContact O-CG1 3.34Å; Q183-I186 PolarHBondContact O-N 3.45Å; Q183-E213 PolarHBondContact NE2-OE2 3.05Å; Q183-T214 WeakPolarHBondContact CB-O 3.24Å; Q183-T214 PolarHBondContact N-O 3.42Å; Q183-C215 HydrophobicContact CB-CB 4.14Å; Q183-Y218 PolarHBondContact OE1-OH 3.46Å
184	D	88.6	Confident	87.1	Confident	19 Å²	19	41.7 Å²	41.7	10%	0.102	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.2	-170	-62.5	-1.7	0	0	0	114.6	C215 A216 I217	D184-C215 VanDerWaalsContact OD1-CA 3.3Å; D184-C215 WeakPolarHBondContact OD1-CA 3.33Å; D184-C215 PolarHBondContact OD1-SG 3.02Å; D184-A216 PolarHBondContact OD1-N 3.28Å; D184-A216 VanDerWaalsContact OD2-CB 3.31Å; D184-A216 WeakPolarHBondContact OD2-CB 3.42Å; D184-I217 HydrophobicContact CB-CD1 4.49Å; D184-I217 WeakPolarHBondContact O-CD1 3.39Å
185	A	85.1	Confident	87.4	Confident	40 Å²	40	41.8 Å²	41.8	33%	0.331	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.3	-177.8	0	0	0	0	0	114.5	K151 Q183	K151-A185 HydrophobicContact CB-CB 4.36Å; K151-A185 HydrophobicContact CD-CB 3.92Å; K151-A185 WeakPolarHBondContact CD-O 3.36Å; K151-A185 PolarHBondContact NZ-O 3.38Å; Q183-A185 PolarHBondContact O-N 3.07Å
186	I	85.6	Confident	87.5	Confident	57 Å²	57	44.3 Å²	44.3	29%	0.292	27%	0.272	S	S	.	.			trans	-81.5	132	-179.2	-57.8	174.7	0	0	0	109.8	L150 Q183 R192	L150-I186 HydrophobicContact CB-CD1 3.96Å; L150-I186 HydrophobicContact CD1-CD1 4.46Å; Q183-I186 HydrophobicContact CB-CD1 3.98Å; Q183-I186 HydrophobicContact CG-CD1 4.04Å; Q183-I186 WeakPolarHBondContact O-CB 3.41Å; Q183-I186 WeakPolarHBondContact O-CG1 3.34Å; Q183-I186 PolarHBondContact O-N 3.45Å; I186-R192 HydrophobicContact CD1-CB 4.03Å
187	T	80.4	Confident	87.5	Confident	84 Å²	84	47.4 Å²	47.4	52%	0.515	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-139.6	168.2	173.5	62.8	0	0	0	0	109.9	G189 S190	T187-G189 PolarHBondContact O-N 2.81Å; T187-G189 VanDerWaalsContact O-N 3.16Å; T187-S190 PolarHBondContact N-O 3.48Å; T187-S190 CarbonylContact O-C 3.57Å; T187-S190 VanDerWaalsContact O-C 3.22Å; T187-S190 PolarHBondContact O-N 2.8Å; T187-S190 VanDerWaalsContact O-O 3.08Å; T187-S190 PolarHBondContact OG1-N 3.11Å; T187-S190 PolarHBondContact OG1-OG 2.71Å
188	E	72.5	Confident	87.4	Confident	192 Å²	192	50.4 Å²	50.4	90%	0.897	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34	176.6	-65.1	178.5	175.9	0	0	112.7
189	G	67.5	Low	87.3	Confident	79 Å²	79	50.3 Å²	50.3	81%	0.814	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.2	174.4	0	0	0	0	0	115.4	T187	T187-G189 PolarHBondContact O-N 2.81Å; T187-G189 VanDerWaalsContact O-N 3.16Å
190	S	70.2	Confident	87.1	Confident	26 Å²	26	56.1 Å²	56.1	18%	0.182	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-147.2	91.7	176.9	60.2	0	0	0	0	112.3	K151 T187	K151-S190 PolarHBondContact NZ-OG 2.79Å; T187-S190 PolarHBondContact N-O 3.48Å; T187-S190 CarbonylContact O-C 3.57Å; T187-S190 VanDerWaalsContact O-C 3.22Å; T187-S190 PolarHBondContact O-N 2.8Å; T187-S190 VanDerWaalsContact O-O 3.08Å; T187-S190 PolarHBondContact OG1-N 3.11Å; T187-S190 PolarHBondContact OG1-OG 2.71Å
191	A	79	Confident	86.9	Confident	80 Å²	80	62.5 Å²	62.5	66%	0.661	35%	0.353	S	S	*	.			trans	-64.4	162.2	-179	0	0	0	0	0	113.4	A193	A191-A193 PolarHBondContact O-N 3.42Å
192	R	90.6	Very high	86.7	Confident	92 Å²	92	62.5 Å²	62.5	35%	0.347	35%	0.353	S	S	.	.			trans	-60.8	132.8	171.6	65.7	-171.2	-67.1	157.8	-0.8	110.7	L150 I186 I194 E213	L150-R192 HydrophobicContact CB-CB 4.49Å; L150-R192 CarbonylContact O-C 3.47Å; I186-R192 HydrophobicContact CD1-CB 4.03Å; R192-I194 PolarHBondContact NE-O 3.26Å; R192-I194 PolarHBondContact NH2-O 2.95Å; R192-E213 IonicContact CZ-OE1 2.9Å; R192-E213 IonicContact CZ-OE2 3.55Å; R192-E213 IonicContact NH1-OE1 3.91Å; R192-E213 PolarHBondContact NH1-OE1 3.49Å; R192-E213 VanDerWaalsContact NH1-OE1 3.15Å; R192-E213 IonicContact NH1-OE2 2.73Å; R192-E213 PolarHBondContact NH1-OE2 2.86Å; R192-E213 VanDerWaalsContact NH1-OE2 3.13Å; R192-E213 IonicContact NH2-OE1 2.61Å; R192-E213 PolarHBondContact NH2-OE1 3Å; R192-E213 IonicContact NH2-OE2 3.49Å
193	A	88.7	Confident	86.6	Confident	56 Å²	56	62.7 Å²	62.7	46%	0.463	35%	0.354	S	S	.	.	S	Bend	trans	-88.7	-27.2	175	0	0	0	0	0	112	L150 K151 A191	L150-A193 PolarHBondContact O-N 3.43Å; K151-A193 WeakPolarHBondContact O-CB 3.46Å; A191-A193 PolarHBondContact O-N 3.42Å
194	I	91.1	Very high	86.5	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	37%	0.37	C	S	.	.	S	Bend	trans	-105.8	120	178.7	-61.6	128.6	0	0	0	109.5	F148 S149 L150 F156 R192 A199	F148-I194 HydrophobicContact CD2-CD1 4.02Å; F148-I194 HydrophobicContact CE2-CB 4.46Å; F148-I194 HydrophobicContact CE2-CD1 4.13Å; F148-I194 HydrophobicContact CE2-CG2 4.08Å; S149-I194 VanDerWaalsContact O-CD1 3.24Å; S149-I194 WeakPolarHBondContact O-CD1 3.18Å; L150-I194 HydrophobicContact CD2-CB 4.31Å; L150-I194 HydrophobicContact CD2-CG2 4.44Å; L150-I194 PolarHBondContact O-N 2.96Å; F156-I194 HydrophobicContact CB-CD1 3.64Å; F156-I194 HydrophobicContact CB-CG1 4.12Å; F156-I194 HydrophobicContact CD2-CD1 4.22Å; F156-I194 HydrophobicContact CD2-CG1 4.17Å; F156-I194 HydrophobicContact CD2-CG2 3.87Å; F156-I194 HydrophobicContact CE2-CG2 3.89Å; F156-I194 HydrophobicContact CG-CD1 4.12Å; F156-I194 HydrophobicContact CG-CG1 4.12Å; R192-I194 PolarHBondContact NE-O 3.26Å; R192-I194 PolarHBondContact NH2-O 2.95Å; I194-A199 HydrophobicContact CG2-CB 4.26Å
195	D	90	Very high	86.5	Confident	70 Å²	70	68.3 Å²	68.3	37%	0.374	39%	0.386	S	S	.	.			trans	-76.8	156.7	173.7	68	-71.9	0	0	0	112	S197 R198 A199	D195-S197 VanDerWaalsContact C-N 3.25Å; D195-S197 PolarHBondContact O-N 3.36Å; D195-S197 WeakPolarHBondContact OD2-CA 3.35Å; D195-S197 VanDerWaalsContact OD2-CB 3.27Å; D195-S197 WeakPolarHBondContact OD2-CB 3.14Å; D195-S197 PolarHBondContact OD2-N 3.47Å; D195-S197 VanDerWaalsContact OD2-N 3.08Å; D195-S197 PolarHBondContact OD2-OG 3.24Å; D195-R198 PolarHBondContact O-N 3.01Å; D195-R198 WeakPolarHBondContact OD1-CB 3.31Å; D195-R198 PolarHBondContact OD2-N 3.31Å; D195-A199 PolarHBondContact O-N 3.5Å; D195-A199 VanDerWaalsContact O-N 3.14Å
196	D	90.5	Very high	86.6	Confident	58 Å²	58	66.5 Å²	66.5	31%	0.31	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-31.7	-179.5	174.5	82.8	0	0	0	112.6	A199 R200	D196-A199 PolarHBondContact O-N 2.92Å; D196-R200 VanDerWaalsContact CG-NE 3.28Å; D196-R200 WeakPolarHBondContact O-CB 3.42Å; D196-R200 WeakPolarHBondContact O-CG 3.35Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 IonicContact OD1-CZ 3.17Å; D196-R200 VanDerWaalsContact OD1-CZ 3.28Å; D196-R200 IonicContact OD1-NE 2.73Å; D196-R200 PolarHBondContact OD1-NE 3.26Å; D196-R200 VanDerWaalsContact OD1-NE 3.13Å; D196-R200 IonicContact OD1-NH2 2.69Å; D196-R200 PolarHBondContact OD1-NH2 2.83Å; D196-R200 IonicContact OD2-CZ 3.28Å; D196-R200 IonicContact OD2-NE 3.13Å; D196-R200 PolarHBondContact OD2-NE 3.47Å; D196-R200 IonicContact OD2-NH2 2.71Å; D196-R200 PolarHBondContact OD2-NH2 2.85Å
197	S	91.8	Very high	86.2	Confident	84 Å²	84	68.6 Å²	68.6	59%	0.587	38%	0.378	S	S	*	.	H	α-helix	trans	-69.8	-42.1	-179.5	88.9	0	0	0	0	111.9	D195 R200 K201	D195-S197 VanDerWaalsContact C-N 3.25Å; D195-S197 PolarHBondContact O-N 3.36Å; D195-S197 WeakPolarHBondContact OD2-CA 3.35Å; D195-S197 VanDerWaalsContact OD2-CB 3.27Å; D195-S197 WeakPolarHBondContact OD2-CB 3.14Å; D195-S197 PolarHBondContact OD2-N 3.47Å; D195-S197 VanDerWaalsContact OD2-N 3.08Å; D195-S197 PolarHBondContact OD2-OG 3.24Å; S197-R200 PolarHBondContact O-N 3.36Å; S197-K201 WeakPolarHBondContact O-CB 3.43Å; S197-K201 PolarHBondContact O-N 2.9Å
198	R	92.9	Very high	85.9	Confident	78 Å²	78	74.9 Å²	74.9	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-39.5	174	-177.3	177.9	175.6	176.9	1.3	111.8	E153 F156 D195 K201 L202	E153-R198 IonicContact OE1-CZ 3.7Å; E153-R198 IonicContact OE1-NH1 2.84Å; E153-R198 PolarHBondContact OE1-NH1 2.87Å; E153-R198 IonicContact OE1-NH2 3.66Å; E153-R198 PolarHBondContact OE1-NH2 2.86Å; F156-R198 HydrophobicContact CE1-CG 4.03Å; F156-R198 HydrophobicContact CE2-CG 4.46Å; F156-R198 HydrophobicContact CZ-CG 3.7Å; D195-R198 PolarHBondContact O-N 3.01Å; D195-R198 WeakPolarHBondContact OD1-CB 3.31Å; D195-R198 PolarHBondContact OD2-N 3.31Å; R198-K201 PolarHBondContact O-N 3.4Å; R198-L202 PolarHBondContact O-N 3.37Å; R198-L202 VanDerWaalsContact O-N 3.09Å
199	A	92.4	Very high	86.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-65.9	-43.7	175.1	0	0	0	0	0	112.8	F148 I194 D195 D196 K201 L202 A203 Y211	F148-A199 HydrophobicContact CZ-CB 3.96Å; I194-A199 HydrophobicContact CG2-CB 4.26Å; D195-A199 PolarHBondContact O-N 3.5Å; D195-A199 VanDerWaalsContact O-N 3.14Å; D196-A199 PolarHBondContact O-N 2.92Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 3.2Å; A199-L202 PolarHBondContact O-N 3.18Å; A199-A203 PolarHBondContact O-N 3.06Å; A199-Y211 HydrophobicContact CB-CD2 4.44Å; A199-Y211 HydrophobicContact CB-CE1 3.91Å; A199-Y211 HydrophobicContact CB-CE2 3.74Å; A199-Y211 VanDerWaalsContact CB-CZ 3.42Å; A199-Y211 WeakPolarHBondContact CB-OH 3.4Å
200	R	92.7	Very high	87.6	Confident	122 Å²	122	63.6 Å²	63.6	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-33.1	173.6	-71.9	-178.2	-161.9	-73.1	-18.9	112.8	D196 S197 A203 N204 Y211	D196-R200 VanDerWaalsContact CG-NE 3.28Å; D196-R200 WeakPolarHBondContact O-CB 3.42Å; D196-R200 WeakPolarHBondContact O-CG 3.35Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 IonicContact OD1-CZ 3.17Å; D196-R200 VanDerWaalsContact OD1-CZ 3.28Å; D196-R200 IonicContact OD1-NE 2.73Å; D196-R200 PolarHBondContact OD1-NE 3.26Å; D196-R200 VanDerWaalsContact OD1-NE 3.13Å; D196-R200 IonicContact OD1-NH2 2.69Å; D196-R200 PolarHBondContact OD1-NH2 2.83Å; D196-R200 IonicContact OD2-CZ 3.28Å; D196-R200 IonicContact OD2-NE 3.13Å; D196-R200 PolarHBondContact OD2-NE 3.47Å; D196-R200 IonicContact OD2-NH2 2.71Å; D196-R200 PolarHBondContact OD2-NH2 2.85Å; S197-R200 PolarHBondContact O-N 3.36Å; R200-A203 PolarHBondContact O-N 3.32Å; R200-N204 PolarHBondContact O-N 3.33Å; R200-N204 PolarHBondContact O-ND2 3.34Å; R200-N204 VanDerWaalsContact O-ND2 3.09Å; R200-Y211 HydrophobicContact CG-CD1 4.02Å
201	K	92.4	Very high	88.8	Confident	134 Å²	134	63.8 Å²	63.8	58%	0.583	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-50.3	172.5	-172.6	-179.1	175.3	-175.5	0	111.1	S197 R198 A199 A203 N204 D205	S197-K201 WeakPolarHBondContact O-CB 3.43Å; S197-K201 PolarHBondContact O-N 2.9Å; R198-K201 PolarHBondContact O-N 3.4Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 3.2Å; K201-A203 VanDerWaalsContact C-N 3.3Å; K201-A203 PolarHBondContact O-N 3.14Å; K201-N204 WeakPolarHBondContact O-CB 3.48Å; K201-N204 PolarHBondContact O-N 3.28Å; K201-D205 VanDerWaalsContact O-CG 3.3Å; K201-D205 PolarHBondContact O-N 3.18Å
202	L	91.8	Very high	89.6	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.6	-44.3	174	171.8	62.3	0	0	0	111.6	F156 V159 Y160 L179 R198 A199 N204 D205 L206	F156-L202 HydrophobicContact CD2-CD2 3.92Å; F156-L202 HydrophobicContact CE1-CD2 4.39Å; F156-L202 HydrophobicContact CE2-CB 4.04Å; F156-L202 HydrophobicContact CE2-CD2 3.43Å; F156-L202 VanDerWaalsContact CE2-CD2 3.43Å; F156-L202 HydrophobicContact CE2-CG 4.38Å; F156-L202 HydrophobicContact CZ-CB 3.77Å; F156-L202 HydrophobicContact CZ-CD2 3.69Å; F156-L202 HydrophobicContact CZ-CG 4.33Å; V159-L202 HydrophobicContact CB-CD2 4.28Å; V159-L202 HydrophobicContact CG1-CD1 4.42Å; V159-L202 HydrophobicContact CG1-CD2 4.08Å; Y160-L202 HydrophobicContact CD1-CD1 3.97Å; Y160-L202 HydrophobicContact CD2-CD1 3.95Å; Y160-L202 HydrophobicContact CE1-CD1 3.61Å; Y160-L202 HydrophobicContact CE2-CD1 3.6Å; Y160-L202 HydrophobicContact CG-CD1 4.13Å; Y160-L202 VanDerWaalsContact CZ-CD1 3.41Å; L179-L202 HydrophobicContact CD1-CD2 4.02Å; L179-L202 HydrophobicContact CD1-CG 4.49Å; L179-L202 HydrophobicContact CD2-CB 4.22Å; L179-L202 HydrophobicContact CD2-CD2 3.89Å; L179-L202 HydrophobicContact CD2-CG 3.8Å; R198-L202 PolarHBondContact O-N 3.37Å; R198-L202 VanDerWaalsContact O-N 3.09Å; A199-L202 PolarHBondContact O-N 3.18Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 3.17Å; L202-D205 PolarHBondContact O-N 3.2Å; L202-L206 HydrophobicContact CD1-CD1 3.73Å; L202-L206 HydrophobicContact CD1-CD2 4.41Å; L202-L206 HydrophobicContact CD1-CG 3.83Å; L202-L206 HydrophobicContact CG-CD1 3.89Å; L202-L206 HydrophobicContact CG-CG 4.36Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.2Å; L202-L206 PolarHBondContact O-N 2.6Å
203	A	92.4	Very high	89.8	Confident	5 Å²	5	59 Å²	59	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-36	176.6	0	0	0	0	0	113.9	L179 A199 R200 K201 R208 C209	L179-A203 HydrophobicContact CD2-CB 3.84Å; A199-A203 PolarHBondContact O-N 3.06Å; R200-A203 PolarHBondContact O-N 3.32Å; K201-A203 VanDerWaalsContact C-N 3.3Å; K201-A203 PolarHBondContact O-N 3.14Å; A203-R208 CarbonylContact O-C 3.22Å; A203-R208 VanDerWaalsContact O-CA 3.22Å; A203-R208 WeakPolarHBondContact O-CA 3.47Å; A203-R208 PolarHBondContact O-N 2.83Å; A203-R208 VanDerWaalsContact O-N 3.16Å; A203-C209 VanDerWaalsContact CA-SG 3.59Å; A203-C209 PolarHBondContact O-N 3.3Å; A203-C209 PolarHBondContact O-SG 3.35Å
204	N	90.3	Very high	90	Very high	95 Å²	95	56.3 Å²	56.3	51%	0.508	27%	0.266	S	S	.	.	H	α-helix	trans	-68.6	-44.2	174.3	-74.7	-42.8	0	0	0	111.9	R200 K201 L202 L206 K207 R208	R200-N204 PolarHBondContact O-N 3.33Å; R200-N204 PolarHBondContact O-ND2 3.34Å; R200-N204 VanDerWaalsContact O-ND2 3.09Å; K201-N204 WeakPolarHBondContact O-CB 3.48Å; K201-N204 PolarHBondContact O-N 3.28Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 3.17Å; N204-L206 VanDerWaalsContact C-N 3.28Å; N204-L206 PolarHBondContact O-N 3.49Å; N204-K207 PolarHBondContact O-N 3.26Å; N204-R208 PolarHBondContact O-N 3.1Å; N204-R208 VanDerWaalsContact O-N 3.09Å
205	D	88.3	Confident	90.2	Very high	82 Å²	82	56.3 Å²	56.3	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-36.5	177.3	-63.7	-20.3	0	0	0	111.1	Y160 K201 L202 K207	Y160-D205 HydrophobicContact CE1-CB 4.46Å; Y160-D205 PolarHBondContact OH-OD2 3.43Å; Y160-D205 VanDerWaalsContact OH-OD2 3.07Å; K201-D205 VanDerWaalsContact O-CG 3.3Å; K201-D205 PolarHBondContact O-N 3.18Å; L202-D205 PolarHBondContact O-N 3.2Å; D205-K207 PolarHBondContact O-N 3.01Å
206	L	86.7	Confident	90.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	47.6	171.5	-63.3	177	0	0	0	113.1	V159 Y163 L179 L202 N204 R208 C209	V159-L206 HydrophobicContact CG1-CD1 3.93Å; Y163-L206 HydrophobicContact CD1-CD2 3.48Å; Y163-L206 VanDerWaalsContact CD1-CD2 3.48Å; Y163-L206 HydrophobicContact CD2-CD2 3.51Å; Y163-L206 HydrophobicContact CE1-CD2 3.95Å; Y163-L206 HydrophobicContact CE2-CD2 3.97Å; Y163-L206 HydrophobicContact CG-CD2 3.23Å; L179-L206 HydrophobicContact CD1-CD1 4.17Å; L202-L206 HydrophobicContact CD1-CD1 3.73Å; L202-L206 HydrophobicContact CD1-CD2 4.41Å; L202-L206 HydrophobicContact CD1-CG 3.83Å; L202-L206 HydrophobicContact CG-CD1 3.89Å; L202-L206 HydrophobicContact CG-CG 4.36Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.2Å; L202-L206 PolarHBondContact O-N 2.6Å; N204-L206 VanDerWaalsContact C-N 3.28Å; N204-L206 PolarHBondContact O-N 3.49Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.15Å; L206-C209 WeakPolarHBondContact O-CB 3.29Å; L206-C209 PolarHBondContact O-N 3.48Å
207	K	77.7	Confident	90.2	Very high	102 Å²	102	54 Å²	54	44%	0.443	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	36.2	177.4	-65	177.9	166.3	173.3	0	114.5	T172 N204 D205 C209	T172-K207 PolarHBondContact O-NZ 3.1Å; T172-K207 WeakPolarHBondContact OG1-CE 3.27Å; T172-K207 PolarHBondContact OG1-NZ 3.48Å; N204-K207 PolarHBondContact O-N 3.26Å; D205-K207 PolarHBondContact O-N 3.01Å; K207-C209 VanDerWaalsContact C-N 3.34Å; K207-C209 PolarHBondContact O-N 2.9Å
208	R	75.3	Confident	90	Very high	215 Å²	215	55.6 Å²	55.6	81%	0.811	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	43.5	-176.9	-55.2	178.9	179.2	179.4	-0.9	112.9	A203 N204 L206	A203-R208 CarbonylContact O-C 3.22Å; A203-R208 VanDerWaalsContact O-CA 3.22Å; A203-R208 WeakPolarHBondContact O-CA 3.47Å; A203-R208 PolarHBondContact O-N 2.83Å; A203-R208 VanDerWaalsContact O-N 3.16Å; N204-R208 PolarHBondContact O-N 3.1Å; N204-R208 VanDerWaalsContact O-N 3.09Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.15Å
209	C	85.8	Confident	89.8	Confident	16 Å²	16	53.1 Å²	53.1	11%	0.108	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64.2	156.6	174.2	69.6	0	0	0	0	111.6	L177 A203 L206 K207 Y211	L177-C209 HydrophobicContact CB-CB 3.86Å; L177-C209 WeakPolarHBondContact O-CB 3.45Å; A203-C209 VanDerWaalsContact CA-SG 3.59Å; A203-C209 PolarHBondContact O-N 3.3Å; A203-C209 PolarHBondContact O-SG 3.35Å; L206-C209 WeakPolarHBondContact O-CB 3.29Å; L206-C209 PolarHBondContact O-N 3.48Å; K207-C209 VanDerWaalsContact C-N 3.34Å; K207-C209 PolarHBondContact O-N 2.9Å; C209-Y211 PolarHBondContact O-N 3.42Å
210	G	89	Confident	89.9	Confident	19 Å²	19	55.6 Å²	55.6	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129	176.8	0	0	0	0	0	111.3	L179	L179-G210 PolarHBondContact N-O 3.49Å
211	Y	94.7	Very high	89.9	Confident	30 Å²	30	51.6 Å²	51.6	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.2	174.9	175.6	-120.7	0	0	0	111.6	F148 L179 A199 R200 C209 E213	F148-Y211 HydrophobicContact CE1-CE2 4.05Å; F148-Y211 AromaticContact CZ-CE2 3.89Å; F148-Y211 HydrophobicContact CZ-CE2 3.89Å; L179-Y211 HydrophobicContact CB-CD2 4.42Å; L179-Y211 HydrophobicContact CD2-CD2 3.99Å; L179-Y211 HydrophobicContact CG-CD2 4.09Å; L179-Y211 WeakPolarHBondContact O-CA 3.45Å; A199-Y211 HydrophobicContact CB-CD2 4.44Å; A199-Y211 HydrophobicContact CB-CE1 3.91Å; A199-Y211 HydrophobicContact CB-CE2 3.74Å; A199-Y211 VanDerWaalsContact CB-CZ 3.42Å; A199-Y211 WeakPolarHBondContact CB-OH 3.4Å; R200-Y211 HydrophobicContact CG-CD1 4.02Å; C209-Y211 PolarHBondContact O-N 3.42Å; Y211-E213 HydrophobicContact CE1-CG 3.96Å; Y211-E213 HydrophobicContact CE2-CG 4.47Å; Y211-E213 WeakPolarHBondContact OH-CG 3.33Å; Y211-E213 PolarHBondContact OH-OE1 2.99Å
212	Y	95.9	Very high	89.9	Confident	41 Å²	41	45.4 Å²	45.4	16%	0.161	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.5	176.4	-60.3	-89.7	0	0	0	111.3	V178 L179 V180 G181 R224 V225 D228	V178-Y212 HydrophobicContact CG1-CD2 3.7Å; V178-Y212 HydrophobicContact CG1-CE2 3.84Å; L179-Y212 PolarHBondContact O-N 3.19Å; V180-Y212 WeakPolarHBondContact CA-O 3.41Å; G181-Y212 PolarHBondContact N-O 3.1Å; Y212-R224 HydrophobicContact CE1-CG 4.43Å; Y212-V225 HydrophobicContact CD1-CG2 4.28Å; Y212-V225 HydrophobicContact CD2-CG2 4.02Å; Y212-V225 HydrophobicContact CG-CG2 3.7Å; Y212-D228 VanDerWaalsContact OH-CG 3.24Å; Y212-D228 PolarHBondContact OH-OD2 3.13Å
213	E	94.8	Very high	90	Very high	29 Å²	29	49 Å²	49	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.7	164.1	-64.3	-164.5	-178.4	0	0	109.9	L150 G181 Q183 R192 Y211 H220 N221	L150-E213 HydrophobicContact CD1-CB 4.48Å; L150-E213 HydrophobicContact CD1-CG 4.03Å; G181-E213 CarbonylContact O-C 3.59Å; G181-E213 WeakPolarHBondContact O-CA 2.97Å; Q183-E213 PolarHBondContact NE2-OE2 3.05Å; R192-E213 IonicContact CZ-OE1 2.9Å; R192-E213 IonicContact CZ-OE2 3.55Å; R192-E213 IonicContact NH1-OE1 3.91Å; R192-E213 PolarHBondContact NH1-OE1 3.49Å; R192-E213 VanDerWaalsContact NH1-OE1 3.15Å; R192-E213 IonicContact NH1-OE2 2.73Å; R192-E213 PolarHBondContact NH1-OE2 2.86Å; R192-E213 VanDerWaalsContact NH1-OE2 3.13Å; R192-E213 IonicContact NH2-OE1 2.61Å; R192-E213 PolarHBondContact NH2-OE1 3Å; R192-E213 IonicContact NH2-OE2 3.49Å; Y211-E213 HydrophobicContact CE1-CG 3.96Å; Y211-E213 HydrophobicContact CE2-CG 4.47Å; Y211-E213 WeakPolarHBondContact OH-CG 3.33Å; Y211-E213 PolarHBondContact OH-OE1 2.99Å; E213-H220 PolarHBondContact O-CE1 3.29Å; E213-H220 PolarHBondContact O-ND1 2.85Å; E213-N221 WeakPolarHBondContact O-CB 3.25Å; E213-N221 PolarHBondContact O-ND2 2.69Å
214	T	94.7	Very high	90	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.1	-175.6	58.8	0	0	0	0	111.7	L91 V180 G181 T182 Q183 H220 N221 V225	L91-T214 HydrophobicContact CD1-CG2 4.34Å; V180-T214 HydrophobicContact CG1-CG2 3.73Å; V180-T214 WeakPolarHBondContact CG1-OG1 3.41Å; G181-T214 PolarHBondContact O-N 3.09Å; G181-T214 PolarHBondContact O-OG1 3.26Å; T182-T214 CarbonylContact C-O 3.51Å; T182-T214 WeakPolarHBondContact CA-O 3.4Å; Q183-T214 WeakPolarHBondContact CB-O 3.24Å; Q183-T214 PolarHBondContact N-O 3.42Å; T214-H220 VanDerWaalsContact CA-O 3.29Å; T214-H220 WeakPolarHBondContact CA-O 3.33Å; T214-H220 WeakPolarHBondContact CB-O 3.48Å; T214-N221 HydrophobicContact CG2-CB 3.88Å; T214-V225 HydrophobicContact CG2-CG2 3.65Å
215	C	93.6	Very high	90.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-141.4	116.5	169.1	-172.3	0	0	0	0	110	Q183 D184 I217 Y218 G219 H220	Q183-C215 HydrophobicContact CB-CB 4.14Å; D184-C215 VanDerWaalsContact OD1-CA 3.3Å; D184-C215 WeakPolarHBondContact OD1-CA 3.33Å; D184-C215 PolarHBondContact OD1-SG 3.02Å; C215-I217 VanDerWaalsContact C-N 3.32Å; C215-Y218 HydrophobicContact CB-CD2 4.34Å; C215-Y218 HydrophobicContact CB-CE1 3.93Å; C215-Y218 HydrophobicContact CB-CE2 3.75Å; C215-Y218 VanDerWaalsContact CB-CZ 3.5Å; C215-Y218 WeakPolarHBondContact SG-CE1 3.48Å; C215-Y218 VanDerWaalsContact SG-CZ 3.52Å; C215-G219 CarbonylContact O-C 3.4Å; C215-G219 VanDerWaalsContact O-CA 3.24Å; C215-G219 WeakPolarHBondContact O-CA 3.46Å; C215-G219 PolarHBondContact O-N 2.91Å; C215-H220 HydrophobicContact CB-CB 4.13Å; C215-H220 PolarHBondContact N-O 3.36Å; C215-H220 VanDerWaalsContact N-O 3.15Å; C215-H220 PolarHBondContact O-N 3.05Å
216	A	91.7	Very high	90.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.2	-177.8	0	0	0	0	0	112.7	R94 Y100 D184 Y218	R94-A216 HydrophobicContact CB-CB 3.95Å; R94-A216 VanDerWaalsContact CD-O 3.32Å; R94-A216 WeakPolarHBondContact CD-O 3.44Å; R94-A216 HydrophobicContact CG-CB 4.31Å; R94-A216 WeakPolarHBondContact CG-O 3.4Å; R94-A216 PolarHBondContact NH1-O 3.33Å; Y100-A216 HydrophobicContact CD2-CB 3.69Å; Y100-A216 HydrophobicContact CE2-CB 4Å; D184-A216 PolarHBondContact OD1-N 3.28Å; D184-A216 VanDerWaalsContact OD2-CB 3.31Å; D184-A216 WeakPolarHBondContact OD2-CB 3.42Å; A216-Y218 PolarHBondContact O-N 3.14Å
217	I	89.4	Confident	91	Very high	79 Å²	79	53.7 Å²	53.7	41%	0.405	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-48	179.7	-60.4	175.4	0	0	0	111.4	R94 Y100 D184 C215	R94-I217 VanDerWaalsContact NH1-C 3.32Å; R94-I217 PolarHBondContact NH1-O 2.94Å; Y100-I217 HydrophobicContact CD1-CG1 4.12Å; Y100-I217 HydrophobicContact CD2-CG1 4.08Å; Y100-I217 HydrophobicContact CE1-CG1 3.84Å; Y100-I217 HydrophobicContact CE2-CG1 3.8Å; Y100-I217 HydrophobicContact CG-CG1 4.22Å; D184-I217 HydrophobicContact CB-CD1 4.49Å; D184-I217 WeakPolarHBondContact O-CD1 3.39Å; C215-I217 VanDerWaalsContact C-N 3.32Å
218	Y	88.1	Confident	91.7	Very high	116 Å²	116	50.6 Å²	50.6	46%	0.455	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-4.1	178.5	44.6	-91.2	0	0	0	114.1	R94 Q183 C215 A216 H220 P501	R94-Y218 VanDerWaalsContact NH2-C 3.27Å; R94-Y218 PolarHBondContact NH2-O 3.04Å; R94-Y218 VanDerWaalsContact NH2-O 3.13Å; Q183-Y218 PolarHBondContact OE1-OH 3.46Å; C215-Y218 HydrophobicContact CB-CD2 4.34Å; C215-Y218 HydrophobicContact CB-CE1 3.93Å; C215-Y218 HydrophobicContact CB-CE2 3.75Å; C215-Y218 VanDerWaalsContact CB-CZ 3.5Å; C215-Y218 WeakPolarHBondContact SG-CE1 3.48Å; C215-Y218 VanDerWaalsContact SG-CZ 3.52Å; A216-Y218 PolarHBondContact O-N 3.14Å; Y218-H220 HydrophobicContact CD2-CB 3.83Å; Y218-H220 HydrophobicContact CE2-CB 3.54Å; Y218-P501 HydrophobicContact CE2-CG 4.43Å
219	G	89.3	Confident	92.7	Very high	26 Å²	26	40.3 Å²	40.3	27%	0.268	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	18.1	172.3	0	0	0	0	0	115.3	C215 N221 V222	C215-G219 CarbonylContact O-C 3.4Å; C215-G219 VanDerWaalsContact O-CA 3.24Å; C215-G219 WeakPolarHBondContact O-CA 3.46Å; C215-G219 PolarHBondContact O-N 2.91Å; G219-N221 PolarHBondContact O-N 3.44Å; G219-V222 PolarHBondContact O-N 2.84Å
220	H	92.4	Very high	93.1	Very high	52 Å²	52	39.6 Å²	39.6	24%	0.241	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-62.2	127.8	-178.9	177	-102.3	0	0	0	112.1	E213 T214 C215 Y218 V222	E213-H220 PolarHBondContact O-CE1 3.29Å; E213-H220 PolarHBondContact O-ND1 2.85Å; T214-H220 VanDerWaalsContact CA-O 3.29Å; T214-H220 WeakPolarHBondContact CA-O 3.33Å; T214-H220 WeakPolarHBondContact CB-O 3.48Å; C215-H220 HydrophobicContact CB-CB 4.13Å; C215-H220 PolarHBondContact N-O 3.36Å; C215-H220 VanDerWaalsContact N-O 3.15Å; C215-H220 PolarHBondContact O-N 3.05Å; Y218-H220 HydrophobicContact CD2-CB 3.83Å; Y218-H220 HydrophobicContact CE2-CB 3.54Å; H220-V222 PolarHBondContact O-N 2.85Å
221	N	92.8	Very high	93.3	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.203	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-0.6	-176.5	-79.5	-36.9	0	0	0	117.5	E213 T214 G219 E223 R224 V225	E213-N221 WeakPolarHBondContact O-CB 3.25Å; E213-N221 PolarHBondContact O-ND2 2.69Å; T214-N221 HydrophobicContact CG2-CB 3.88Å; G219-N221 PolarHBondContact O-N 3.44Å; N221-E223 PolarHBondContact O-N 2.82Å; N221-R224 WeakPolarHBondContact O-CB 3.27Å; N221-R224 PolarHBondContact O-N 2.98Å; N221-R224 WeakPolarHBondContact OD1-CD 3.32Å; N221-V225 PolarHBondContact O-N 2.71Å
222	V	93.8	Very high	93.2	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-55.8	-55.8	-173.5	178.6	0	0	0	0	111.3	L91 R94 Y95 G219 H220 R224 V225 F226	L91-V222 HydrophobicContact CD1-CB 4.25Å; L91-V222 HydrophobicContact CD1-CG1 3.91Å; L91-V222 HydrophobicContact CD1-CG2 3.78Å; R94-V222 HydrophobicContact CB-CG1 4.43Å; R94-V222 HydrophobicContact CG-CG1 4.24Å; R94-V222 HydrophobicContact CG-CG2 4.15Å; Y95-V222 HydrophobicContact CD2-CG1 4.5Å; G219-V222 PolarHBondContact O-N 2.84Å; H220-V222 PolarHBondContact O-N 2.85Å; V222-R224 VanDerWaalsContact C-N 3.26Å; V222-R224 PolarHBondContact O-N 3.08Å; V222-V225 PolarHBondContact O-N 2.82Å; V222-F226 HydrophobicContact CG1-CD2 4.44Å; V222-F226 HydrophobicContact CG1-CE2 4.37Å; V222-F226 WeakPolarHBondContact O-CD2 3.49Å; V222-F226 PolarHBondContact O-N 3.1Å
223	E	93	Very high	93	Very high	76 Å²	76	43 Å²	43	36%	0.355	19%	0.192	S	C	.	.	H	α-helix	trans	-59	-36.3	176.3	-80.7	-163.5	-139.7	0	0	113.8	N221 R227 T495	N221-E223 PolarHBondContact O-N 2.82Å; E223-R227 WeakPolarHBondContact O-CB 3.44Å; E223-R227 PolarHBondContact O-N 3.05Å; E223-R227 IonicContact OE2-CZ 3.16Å; E223-R227 IonicContact OE2-NH2 3.02Å; E223-R227 PolarHBondContact OE2-NH2 2.82Å; E223-T495 VanDerWaalsContact CD-OG1 3.24Å; E223-T495 VanDerWaalsContact OE1-CB 3.3Å; E223-T495 WeakPolarHBondContact OE1-CB 3.21Å; E223-T495 PolarHBondContact OE1-OG1 2.77Å; E223-T495 PolarHBondContact OE2-OG1 3.35Å
224	R	93.3	Very high	92.9	Very high	157 Å²	157	42.4 Å²	42.4	59%	0.592	19%	0.189	S	C	*	.	H	α-helix	trans	-65.8	-42.2	-175.4	-172	178.9	-174.3	166.8	2	111.2	Y212 N221 V222 R227 D228	Y212-R224 HydrophobicContact CE1-CG 4.43Å; N221-R224 WeakPolarHBondContact O-CB 3.27Å; N221-R224 PolarHBondContact O-N 2.98Å; N221-R224 WeakPolarHBondContact OD1-CD 3.32Å; V222-R224 VanDerWaalsContact C-N 3.26Å; V222-R224 PolarHBondContact O-N 3.08Å; R224-R227 PolarHBondContact O-N 3.09Å; R224-D228 VanDerWaalsContact O-CB 3.29Å; R224-D228 WeakPolarHBondContact O-CB 3.37Å; R224-D228 PolarHBondContact O-N 2.88Å
225	V	95.4	Very high	92.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-53.1	177.2	168	0	0	0	0	111.3	I145 V178 V180 Y212 T214 N221 V222 R227 D228 A229	I145-V225 HydrophobicContact CD1-CG1 3.96Å; I145-V225 HydrophobicContact CG2-CG1 4.35Å; V178-V225 HydrophobicContact CG1-CG1 4.34Å; V180-V225 HydrophobicContact CG2-CG1 3.61Å; V180-V225 HydrophobicContact CG2-CG2 4.11Å; Y212-V225 HydrophobicContact CD1-CG2 4.28Å; Y212-V225 HydrophobicContact CD2-CG2 4.02Å; Y212-V225 HydrophobicContact CG-CG2 3.7Å; T214-V225 HydrophobicContact CG2-CG2 3.65Å; N221-V225 PolarHBondContact O-N 2.71Å; V222-V225 PolarHBondContact O-N 2.82Å; V225-R227 VanDerWaalsContact C-N 3.34Å; V225-R227 PolarHBondContact O-N 3.23Å; V225-D228 PolarHBondContact O-N 2.85Å; V225-A229 WeakPolarHBondContact O-CB 3.45Å; V225-A229 PolarHBondContact O-N 2.99Å
226	F	95.8	Very high	92.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-38.9	180	-77.2	-88.8	0	0	0	111.9	L78 L80 L91 V92 Y95 I126 I145 V222 C230	L78-F226 HydrophobicContact CD2-CD1 3.49Å; L78-F226 VanDerWaalsContact CD2-CD1 3.49Å; L78-F226 HydrophobicContact CD2-CE1 3.88Å; L80-F226 HydrophobicContact CD1-CE1 4.28Å; L80-F226 HydrophobicContact CD2-CZ 4.15Å; L91-F226 HydrophobicContact CG-CE2 4.13Å; V92-F226 HydrophobicContact CG2-CZ 4.14Å; Y95-F226 HydrophobicContact CD1-CB 4.31Å; Y95-F226 AromaticContact CD1-CD1 3.7Å; Y95-F226 HydrophobicContact CD1-CD1 3.7Å; Y95-F226 AromaticContact CD1-CD2 3.92Å; Y95-F226 HydrophobicContact CD1-CD2 3.92Å; Y95-F226 AromaticContact CD1-CE1 3.93Å; Y95-F226 HydrophobicContact CD1-CE1 3.93Å; Y95-F226 HydrophobicContact CD1-CE2 4.13Å; Y95-F226 AromaticContact CD1-CG 3.71Å; Y95-F226 HydrophobicContact CD1-CG 3.71Å; Y95-F226 HydrophobicContact CD1-CZ 4.14Å; Y95-F226 HydrophobicContact CD2-CB 3.86Å; Y95-F226 AromaticContact CD2-CD2 3.59Å; Y95-F226 HydrophobicContact CD2-CD2 3.59Å; Y95-F226 HydrophobicContact CD2-CE2 4.29Å; Y95-F226 AromaticContact CD2-CG 3.76Å; Y95-F226 HydrophobicContact CD2-CG 3.76Å; Y95-F226 HydrophobicContact CE1-CB 3.99Å; Y95-F226 AromaticContact CE1-CD1 3.78Å; Y95-F226 HydrophobicContact CE1-CD1 3.78Å; Y95-F226 HydrophobicContact CE1-CD2 4.45Å; Y95-F226 HydrophobicContact CE1-CE1 4.4Å; Y95-F226 AromaticContact CE1-CG 3.83Å; Y95-F226 HydrophobicContact CE1-CG 3.83Å; Y95-F226 HydrophobicContact CE2-CB 3.5Å; Y95-F226 HydrophobicContact CE2-CD2 4.17Å; Y95-F226 AromaticContact CE2-CG 3.89Å; Y95-F226 HydrophobicContact CE2-CG 3.89Å; Y95-F226 HydrophobicContact CG-CB 4.25Å; Y95-F226 HydrophobicContact CG-CD1 4.11Å; Y95-F226 AromaticContact CG-CD2 3.44Å; Y95-F226 HydrophobicContact CG-CD2 3.44Å; Y95-F226 VanDerWaalsContact CG-CD2 3.44Å; Y95-F226 HydrophobicContact CG-CE1 4.35Å; Y95-F226 AromaticContact CG-CE2 3.72Å; Y95-F226 HydrophobicContact CG-CE2 3.72Å; Y95-F226 AromaticContact CG-CG 3.67Å; Y95-F226 HydrophobicContact CG-CG 3.67Å; Y95-F226 HydrophobicContact CG-CZ 4.18Å; Y95-F226 AromaticContact CZ-CG 3.91Å; I126-F226 HydrophobicContact CD1-CD1 4.33Å; I126-F226 HydrophobicContact CD1-CE1 4.01Å; I145-F226 HydrophobicContact CD1-CD1 4.33Å; I145-F226 HydrophobicContact CD1-CE1 4.3Å; V222-F226 HydrophobicContact CG1-CD2 4.44Å; V222-F226 HydrophobicContact CG1-CE2 4.37Å; V222-F226 WeakPolarHBondContact O-CD2 3.49Å; V222-F226 PolarHBondContact O-N 3.1Å; F226-C230 PolarHBondContact O-N 3.3Å; F226-C230 PolarHBondContact O-SG 3.06Å
227	R	93.8	Very high	92.2	Very high	123 Å²	123	50 Å²	50	46%	0.464	22%	0.223	S	C	.	.	H	α-helix	trans	-67.6	-42.5	178.9	-160.5	-177.6	-59	-166.9	5.3	112.1	E223 R224 V225 C230 Y231	E223-R227 WeakPolarHBondContact O-CB 3.44Å; E223-R227 PolarHBondContact O-N 3.05Å; E223-R227 IonicContact OE2-CZ 3.16Å; E223-R227 IonicContact OE2-NH2 3.02Å; E223-R227 PolarHBondContact OE2-NH2 2.82Å; R224-R227 PolarHBondContact O-N 3.09Å; V225-R227 VanDerWaalsContact C-N 3.34Å; V225-R227 PolarHBondContact O-N 3.23Å; R227-C230 PolarHBondContact O-N 3.14Å; R227-Y231 WeakPolarHBondContact O-CB 3.47Å; R227-Y231 PolarHBondContact O-N 2.85Å
228	D	93.9	Very high	92	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-44.2	174.7	175.2	72.1	0	0	0	112.1	Y212 R224 V225 C230 Y231 K232	Y212-D228 VanDerWaalsContact OH-CG 3.24Å; Y212-D228 PolarHBondContact OH-OD2 3.13Å; R224-D228 VanDerWaalsContact O-CB 3.29Å; R224-D228 WeakPolarHBondContact O-CB 3.37Å; R224-D228 PolarHBondContact O-N 2.88Å; V225-D228 PolarHBondContact O-N 2.85Å; D228-C230 PolarHBondContact O-N 3.19Å; D228-Y231 PolarHBondContact O-N 3.42Å; D228-K232 WeakPolarHBondContact O-CB 3.3Å; D228-K232 WeakPolarHBondContact O-CG 3.13Å; D228-K232 PolarHBondContact O-N 3.45Å; D228-K232 WeakPolarHBondContact OD1-CE 3.48Å; D228-K232 IonicContact OD1-NZ 2.74Å; D228-K232 WeakPolarHBondContact OD2-CE 3.46Å; D228-K232 IonicContact OD2-NZ 3.4Å; D228-K232 PolarHBondContact OD2-NZ 3.28Å
229	A	94.6	Very high	91.7	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-44.5	175.6	0	0	0	0	0	112	L78 I145 V178 V225 K232 I233	L78-A229 HydrophobicContact CD1-CB 3.8Å; I145-A229 HydrophobicContact CD1-CB 4.19Å; I145-A229 HydrophobicContact CG1-CB 4.26Å; V178-A229 HydrophobicContact CG2-CB 4.14Å; V225-A229 WeakPolarHBondContact O-CB 3.45Å; V225-A229 PolarHBondContact O-N 2.99Å; A229-K232 PolarHBondContact O-N 3.47Å; A229-I233 WeakPolarHBondContact O-CG1 3.36Å; A229-I233 PolarHBondContact O-N 3.29Å; A229-I233 VanDerWaalsContact O-N 3.13Å
230	C	94.6	Very high	91.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-42	176.2	-65.2	0	0	0	0	112.6	L76 I115 I117 F226 R227 D228 K232 I233 I234	L76-C230 HydrophobicContact CD1-CB 4Å; I115-C230 HydrophobicContact CD1-CB 4Å; I117-C230 HydrophobicContact CD1-CB 3.55Å; F226-C230 PolarHBondContact O-N 3.3Å; F226-C230 PolarHBondContact O-SG 3.06Å; R227-C230 PolarHBondContact O-N 3.14Å; D228-C230 PolarHBondContact O-N 3.19Å; C230-K232 VanDerWaalsContact C-N 3.3Å; C230-K232 PolarHBondContact O-N 2.95Å; C230-I233 PolarHBondContact O-N 3.07Å; C230-I234 PolarHBondContact O-N 3.1Å; C230-I234 VanDerWaalsContact O-N 3.14Å
231	Y	93.3	Very high	90.3	Very high	110 Å²	110	57.3 Å²	57.3	43%	0.431	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-37.1	176.5	-169.2	-110.5	0	0	0	111.7	I117 R227 D228 I234 N235	I117-Y231 HydrophobicContact CG2-CD2 4.13Å; R227-Y231 WeakPolarHBondContact O-CB 3.47Å; R227-Y231 PolarHBondContact O-N 2.85Å; D228-Y231 PolarHBondContact O-N 3.42Å; Y231-I234 PolarHBondContact O-N 3.07Å; Y231-N235 WeakPolarHBondContact CD1-ND2 3.48Å; Y231-N235 WeakPolarHBondContact CE1-ND2 3.39Å; Y231-N235 PolarHBondContact O-N 3.28Å; Y231-N235 PolarHBondContact O-ND2 3.27Å
232	K	92.3	Very high	89.3	Confident	51 Å²	51	61.9 Å²	61.9	22%	0.222	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-40.4	173.4	-76.2	168.9	175.2	165.4	0	113.1	P176 V178 D228 A229 C230 I234 N235 H236	P176-K232 HydrophobicContact CB-CB 3.72Å; P176-K232 HydrophobicContact CB-CD 4.47Å; P176-K232 HydrophobicContact CG-CB 4.14Å; V178-K232 HydrophobicContact CG2-CD 4.27Å; D228-K232 WeakPolarHBondContact O-CB 3.3Å; D228-K232 WeakPolarHBondContact O-CG 3.13Å; D228-K232 PolarHBondContact O-N 3.45Å; D228-K232 WeakPolarHBondContact OD1-CE 3.48Å; D228-K232 IonicContact OD1-NZ 2.74Å; D228-K232 WeakPolarHBondContact OD2-CE 3.46Å; D228-K232 IonicContact OD2-NZ 3.4Å; D228-K232 PolarHBondContact OD2-NZ 3.28Å; A229-K232 PolarHBondContact O-N 3.47Å; C230-K232 VanDerWaalsContact C-N 3.3Å; C230-K232 PolarHBondContact O-N 2.95Å; K232-I234 VanDerWaalsContact C-N 3.35Å; K232-I234 PolarHBondContact O-N 2.9Å; K232-N235 PolarHBondContact O-N 3.45Å; K232-H236 WeakPolarHBondContact O-CB 3.46Å; K232-H236 PolarHBondContact O-N 3.37Å
233	I	92.5	Very high	88.2	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-48.9	172.8	-63.9	165.1	0	0	0	110.4	L76 D142 A143 A229 C230 H236 R237	L76-I233 HydrophobicContact CB-CD1 4.24Å; L76-I233 HydrophobicContact CD2-CB 4.19Å; L76-I233 HydrophobicContact CD2-CG2 3.61Å; D142-I233 HydrophobicContact CB-CB 4.38Å; D142-I233 HydrophobicContact CB-CD1 3.87Å; D142-I233 HydrophobicContact CB-CG1 3.82Å; D142-I233 HydrophobicContact CB-CG2 3.64Å; A143-I233 HydrophobicContact CB-CD1 3.81Å; A143-I233 HydrophobicContact CB-CG1 3.45Å; A143-I233 VanDerWaalsContact CB-CG1 3.45Å; A229-I233 WeakPolarHBondContact O-CG1 3.36Å; A229-I233 PolarHBondContact O-N 3.29Å; A229-I233 VanDerWaalsContact O-N 3.13Å; C230-I233 PolarHBondContact O-N 3.07Å; I233-H236 PolarHBondContact O-N 2.97Å; I233-R237 HydrophobicContact CG2-CG 4.48Å; I233-R237 WeakPolarHBondContact O-CG 3.48Å; I233-R237 PolarHBondContact O-N 3.42Å
234	I	91.6	Very high	86.7	Confident	15 Å²	15	65.2 Å²	65.2	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-46.8	-177.7	-68.1	167.9	0	0	0	110.7	L76 I117 Y122 C230 Y231 K232 H236 R237 I238	L76-I234 HydrophobicContact CD1-CD1 4.32Å; L76-I234 HydrophobicContact CD2-CG1 4Å; I117-I234 HydrophobicContact CB-CD1 4.01Å; I117-I234 HydrophobicContact CD1-CD1 3.64Å; I117-I234 HydrophobicContact CG1-CD1 4.39Å; I117-I234 HydrophobicContact CG2-CD1 3.86Å; Y122-I234 HydrophobicContact CD2-CD1 4.36Å; Y122-I234 HydrophobicContact CE1-CD1 4.15Å; Y122-I234 HydrophobicContact CE1-CG1 4.35Å; Y122-I234 HydrophobicContact CE2-CD1 3.85Å; C230-I234 PolarHBondContact O-N 3.1Å; C230-I234 VanDerWaalsContact O-N 3.14Å; Y231-I234 PolarHBondContact O-N 3.07Å; K232-I234 VanDerWaalsContact C-N 3.35Å; K232-I234 PolarHBondContact O-N 2.9Å; I234-H236 PolarHBondContact O-N 3.38Å; I234-R237 PolarHBondContact O-N 2.92Å; I234-I238 HydrophobicContact CG2-CD1 3.83Å; I234-I238 VanDerWaalsContact O-CG1 3.31Å; I234-I238 WeakPolarHBondContact O-CG1 3.12Å; I234-I238 PolarHBondContact O-N 2.93Å
235	N	90.1	Very high	84.8	Confident	50 Å²	50	63.2 Å²	63.2	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-40.1	177.2	-73.5	-54.5	0	0	0	113	Y231 K232 I238 Q239	Y231-N235 WeakPolarHBondContact CD1-ND2 3.48Å; Y231-N235 WeakPolarHBondContact CE1-ND2 3.39Å; Y231-N235 PolarHBondContact O-N 3.28Å; Y231-N235 PolarHBondContact O-ND2 3.27Å; K232-N235 PolarHBondContact O-N 3.45Å; N235-I238 PolarHBondContact O-N 2.78Å; N235-Q239 WeakPolarHBondContact O-CG 3.14Å; N235-Q239 PolarHBondContact O-N 3.17Å
236	H	88.3	Confident	82.3	Confident	43 Å²	43	70.8 Å²	70.8	20%	0.199	36%	0.356	C	S	.	.	H	α-helix	trans	-60.7	-49.1	176.4	-167.4	-83.9	0	0	0	111	P176 K232 I233 I234 I238 Q239 E240	P176-H236 HydrophobicContact CG-CB 4.05Å; K232-H236 WeakPolarHBondContact O-CB 3.46Å; K232-H236 PolarHBondContact O-N 3.37Å; I233-H236 PolarHBondContact O-N 2.97Å; I234-H236 PolarHBondContact O-N 3.38Å; H236-I238 VanDerWaalsContact C-N 3.29Å; H236-I238 PolarHBondContact O-N 3.35Å; H236-Q239 WeakPolarHBondContact O-CB 3.45Å; H236-Q239 PolarHBondContact O-N 3.44Å; H236-Q239 VanDerWaalsContact O-N 3.09Å; H236-E240 VanDerWaalsContact CE1-CD 3.45Å; H236-E240 IonicContact CE1-OE1 2.7Å; H236-E240 PolarHBondContact CE1-OE1 3.11Å; H236-E240 IonicContact CE1-OE2 3.7Å; H236-E240 IonicContact ND1-OE1 2.65Å; H236-E240 PolarHBondContact ND1-OE1 3.15Å; H236-E240 IonicContact ND1-OE2 2.89Å; H236-E240 PolarHBondContact ND1-OE2 3.05Å; H236-E240 WeakPolarHBondContact O-CG 3.36Å; H236-E240 PolarHBondContact O-N 2.85Å
237	R	87.8	Confident	79.7	Confident	70 Å²	70	76.4 Å²	76.4	26%	0.264	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-35.1	177.3	-70	175.1	174.6	-175	0.3	113	E75 D142 I233 I234 Q241	E75-R237 VanDerWaalsContact O-CZ 3.31Å; E75-R237 PolarHBondContact O-NH1 3.5Å; E75-R237 PolarHBondContact O-NH2 3.07Å; D142-R237 IonicContact OD1-CZ 2.7Å; D142-R237 IonicContact OD1-NE 3.58Å; D142-R237 IonicContact OD1-NH2 3.3Å; D142-R237 PolarHBondContact OD1-NH2 3.49Å; D142-R237 IonicContact OD2-CZ 3.04Å; D142-R237 IonicContact OD2-NH2 3.41Å; D142-R237 PolarHBondContact OD2-NH2 3.44Å; I233-R237 HydrophobicContact CG2-CG 4.48Å; I233-R237 WeakPolarHBondContact O-CG 3.48Å; I233-R237 PolarHBondContact O-N 3.42Å; I234-R237 PolarHBondContact O-N 2.92Å; R237-Q241 VanDerWaalsContact O-CG 3.27Å; R237-Q241 WeakPolarHBondContact O-CG 3.28Å; R237-Q241 PolarHBondContact O-N 3.23Å; R237-Q241 VanDerWaalsContact O-N 3.09Å
238	I	85.2	Confident	77	Confident	72 Å²	72	80 Å²	80	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-42.4	174.2	-69.3	166.4	0	0	0	110.8	I234 N235 H236 Q241 Q242	I234-I238 HydrophobicContact CG2-CD1 3.83Å; I234-I238 VanDerWaalsContact O-CG1 3.31Å; I234-I238 WeakPolarHBondContact O-CG1 3.12Å; I234-I238 PolarHBondContact O-N 2.93Å; N235-I238 PolarHBondContact O-N 2.78Å; H236-I238 VanDerWaalsContact C-N 3.29Å; H236-I238 PolarHBondContact O-N 3.35Å; I238-Q241 PolarHBondContact O-N 2.7Å; I238-Q242 WeakPolarHBondContact O-CG 3.47Å; I238-Q242 PolarHBondContact O-N 3.43Å
239	Q	81.8	Confident	74.3	Confident	124 Å²	124	81.5 Å²	81.5	58%	0.579	44%	0.441	S	S	*	.	H	α-helix	trans	-64.6	-42.3	177.4	-70.4	170.1	18.6	0	0	111.9	N235 H236 Q241 Q242 A243	N235-Q239 WeakPolarHBondContact O-CG 3.14Å; N235-Q239 PolarHBondContact O-N 3.17Å; H236-Q239 WeakPolarHBondContact O-CB 3.45Å; H236-Q239 PolarHBondContact O-N 3.44Å; H236-Q239 VanDerWaalsContact O-N 3.09Å; Q239-Q241 PolarHBondContact O-N 3.19Å; Q239-Q242 PolarHBondContact O-N 3.47Å; Q239-A243 WeakPolarHBondContact O-CB 3.32Å; Q239-A243 PolarHBondContact O-N 3.41Å
240	E	79.2	Confident	71.3	Confident	99 Å²	99	85.6 Å²	85.6	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-43.2	174.5	-70.5	172.6	133.8	0	0	112	H236 A243 A244	H236-E240 VanDerWaalsContact CE1-CD 3.45Å; H236-E240 IonicContact CE1-OE1 2.7Å; H236-E240 PolarHBondContact CE1-OE1 3.11Å; H236-E240 IonicContact CE1-OE2 3.7Å; H236-E240 IonicContact ND1-OE1 2.65Å; H236-E240 PolarHBondContact ND1-OE1 3.15Å; H236-E240 IonicContact ND1-OE2 2.89Å; H236-E240 PolarHBondContact ND1-OE2 3.05Å; H236-E240 WeakPolarHBondContact O-CG 3.36Å; H236-E240 PolarHBondContact O-N 2.85Å; E240-A243 PolarHBondContact O-N 2.91Å; E240-A244 WeakPolarHBondContact O-CB 3.39Å; E240-A244 PolarHBondContact O-N 3.32Å
241	Q	73	Confident	68.4	Low	132 Å²	132	89 Å²	89	62%	0.617	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-38.6	176	-73.3	174.6	25.8	0	0	112.5	R237 I238 Q239 A244 V245	R237-Q241 VanDerWaalsContact O-CG 3.27Å; R237-Q241 WeakPolarHBondContact O-CG 3.28Å; R237-Q241 PolarHBondContact O-N 3.23Å; R237-Q241 VanDerWaalsContact O-N 3.09Å; I238-Q241 PolarHBondContact O-N 2.7Å; Q239-Q241 PolarHBondContact O-N 3.19Å; Q241-A244 PolarHBondContact O-N 3.26Å; Q241-V245 VanDerWaalsContact O-CG2 3.25Å; Q241-V245 WeakPolarHBondContact O-CG2 3.46Å; Q241-V245 PolarHBondContact O-N 3.48Å
242	Q	71.9	Confident	65.8	Low	133 Å²	133	92.6 Å²	92.6	62%	0.621	54%	0.542	S	S	*	.	H	α-helix	trans	-67.7	-39	175.6	-72.1	175.3	8.3	0	0	112.1	I238 Q239 V245	I238-Q242 WeakPolarHBondContact O-CG 3.47Å; I238-Q242 PolarHBondContact O-N 3.43Å; Q239-Q242 PolarHBondContact O-N 3.47Å; Q242-V245 PolarHBondContact O-N 3.46Å
243	A	70.8	Confident	63.2	Low	66 Å²	66	97.4 Å²	97.4	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-64.6	-38.6	175.5	0	0	0	0	0	112.3	Q239 E240 V245	Q239-A243 WeakPolarHBondContact O-CB 3.32Å; Q239-A243 PolarHBondContact O-N 3.41Å; E240-A243 PolarHBondContact O-N 2.91Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 2.87Å
244	A	61.2	Low	60.6	Low	85 Å²	85	101.8 Å²	101.8	70%	0.702	60%	0.598	S	S	*	*	H	α-helix	trans	-71.7	-14.5	179.6	0	0	0	0	0	114.8	E240 Q241	E240-A244 WeakPolarHBondContact O-CB 3.39Å; E240-A244 PolarHBondContact O-N 3.32Å; Q241-A244 PolarHBondContact O-N 3.26Å
245	V	54.3	Low	58.2	Low	116 Å²	116	109.4 Å²	109.4	70%	0.703	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	9.2	-175.2	175.2	0	0	0	0	112.6	Q241 Q242 A243 P247	Q241-V245 VanDerWaalsContact O-CG2 3.25Å; Q241-V245 WeakPolarHBondContact O-CG2 3.46Å; Q241-V245 PolarHBondContact O-N 3.48Å; Q242-V245 PolarHBondContact O-N 3.46Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 2.87Å; V245-P247 WeakPolarHBondContact O-CD 3.41Å
246	Q	41.6	Very low	55.8	Low	158 Å²	158	113.5 Å²	113.5	74%	0.738	66%	0.661	S	S	*	*			trans	-61.4	123.1	171.8	-69	-159.3	10.3	0	0	111	M248	Q246-M248 PolarHBondContact O-N 3.43Å
247	P	42.4	Very low	53.2	Low	119 Å²	119	114.6 Å²	114.6	77%	0.773	68%	0.684	S	S	*	*			trans	-71.7	132.8	-177.5	28.2	-33.2	0	0	0	110.5	V245 G249	V245-P247 WeakPolarHBondContact O-CD 3.41Å; P247-G249 PolarHBondContact O-N 3.36Å
248	M	36.6	Very low	51	Low	199 Å²	199	117.3 Å²	117.3	98%	0.98	71%	0.713	S	S	*	*			trans	-68.6	68.5	165.5	-72	-78.9	-83.6	0	0	110	Q246 G250	Q246-M248 PolarHBondContact O-N 3.43Å; M248-G250 PolarHBondContact O-N 3.06Å
249	G	37.5	Very low	48.8	Very low	68 Å²	68	119 Å²	119	70%	0.701	73%	0.731	S	S	*	*			trans	-88.5	92.6	178.3	0	0	0	0	0	111.2	P247	P247-G249 PolarHBondContact O-N 3.36Å
250	G	30.6	Very low	46.4	Very low	85 Å²	85	119.4 Å²	119.4	88%	0.876	75%	0.746	S	S	*	*			trans	-64.6	133	166.7	0	0	0	0	0	110.9	M248	M248-G250 PolarHBondContact O-N 3.06Å
251	G	34.6	Very low	44.7	Very low	73 Å²	73	120 Å²	120	75%	0.753	76%	0.759	S	S	*	*			trans	-162.9	69	-171.3	0	0	0	0	0	113.7
252	M	39.1	Very low	43.1	Very low	185 Å²	185	120 Å²	120	91%	0.911	77%	0.768	S	S	*	*			trans	10.9	111.1	158.4	-65.6	146.5	80.1	0	0	118.4
253	N	36.2	Very low	41.5	Very low	151 Å²	151	119.7 Å²	119.7	81%	0.807	78%	0.775	S	S	*	*			trans	-70.4	142.1	163.4	-173.3	14	0	0	0	111.1
254	P	39.2	Very low	39.9	Very low	94 Å²	94	122.8 Å²	122.8	61%	0.61	79%	0.79	S	S	*	*			trans	-143.4	147.5	133.5	36.3	-22	0	0	0	115.3
255	Q	40.6	Very low	38.8	Very low	175 Å²	175	124 Å²	124	82%	0.818	79%	0.793	S	S	*	*			trans	69.5	140.6	160	-61.6	163.8	32.8	0	0	115.6
256	T	40	Very low	37.9	Very low	137 Å²	137	123.7 Å²	123.7	84%	0.84	79%	0.791	S	S	*	*			cis	-146.9	162.5	-6.5	44.7	0	0	0	0	105.6
257	G	34.3	Very low	37.6	Very low	66 Å²	66	124.8 Å²	124.8	68%	0.68	80%	0.796	S	S	*	*			cis	158.1	146.4	9.3	0	0	0	0	0	107.7
258	S	40.1	Very low	37.4	Very low	126 Å²	126	125 Å²	125	88%	0.881	80%	0.797	S	S	*	*			trans	65	144.5	177.1	-68.7	0	0	0	0	118.2
259	S	40.6	Very low	37.3	Very low	108 Å²	108	119.3 Å²	119.3	76%	0.755	79%	0.79	S	S	*	*			cis	-161.6	126.7	-6.8	45.7	0	0	0	0	113.4
260	C	31.2	Very low	37.2	Very low	133 Å²	133	127.9 Å²	127.9	90%	0.899	80%	0.801	S	S	*	*			trans	39.3	152.9	151.3	-76.7	0	0	0	0	126.5
261	P	43.4	Very low	37	Very low	111 Å²	111	132 Å²	132	72%	0.721	80%	0.799	S	S	*	*			trans	-123.3	-176.3	-174.6	45.8	-31.4	0	0	0	114.7
262	T	38.5	Very low	37	Very low	132 Å²	132	138.5 Å²	138.5	81%	0.81	80%	0.803	S	S	*	*			trans	-176.8	151.3	155.6	33.4	0	0	0	0	108.1
263	T	38	Very low	36.7	Very low	127 Å²	127	135.5 Å²	135.5	78%	0.779	80%	0.795	S	S	*	*			cis	-164.3	148.4	-0.2	14.2	0	0	0	0	109.9
264	P	38.1	Very low	36.5	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	79%	0.794	S	S	*	*			trans	-117	153.6	171.1	38.8	-29.3	0	0	0	114.8
265	S	36.8	Very low	36.2	Very low	110 Å²	110	134 Å²	134	77%	0.769	80%	0.799	S	S	*	*			trans	-166.5	109	164.8	-155	0	0	0	0	110.9
266	V	35.8	Very low	35.6	Very low	111 Å²	111	134.8 Å²	134.8	67%	0.673	80%	0.802	S	S	*	*				75.1	116.4	91.8	176.1	0	0	0	0	115.8
267	H	36.9	Very low	35.2	Very low	181 Å²	181	132.3 Å²	132.3	84%	0.838	80%	0.796	S	S	*	*				-176.5	137.4	118.5	-95.6	-61.2	0	0	0	112.6
268	P	36.2	Very low	34.9	Very low	123 Å²	123	135.7 Å²	135.7	80%	0.799	80%	0.803	S	S	*	*			trans	-118.5	165.8	-175.1	41.5	-32.9	0	0	0	115.9
269	G	34.8	Very low	34.2	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	80%	0.799	S	S	*	*			trans	134.3	116.6	146.4	0	0	0	0	0	117.7
270	R	35.5	Very low	33.4	Very low	249 Å²	249	139 Å²	139	94%	0.94	81%	0.805	S	S	*	*				178.8	141.8	100.2	-153.4	166.6	-170	176	2	110.6
271	M	27.8	Very low	33.2	Very low	170 Å²	170	138.2 Å²	138.2	84%	0.837	80%	0.801	S	S	*	*			trans	-85.5	160.6	-178.4	-67.5	-178.4	150.6	0	0	113.4
272	Y	33.8	Very low	32.5	Very low	211 Å²	211	137.7 Å²	137.7	83%	0.827	81%	0.806	S	S	*	*				-156.5	134.7	118.4	-96.2	-70.1	0	0	0	111.7
273	T	32.5	Very low	31.7	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	81%	0.811	S	S	*	*			trans	6.2	146.2	151.6	54	0	0	0	0	120
274	S	31.7	Very low	31.2	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	81%	0.813	S	S	*	*			cis	-166.1	162.8	3.1	43.7	0	0	0	0	106.1
275	S	33.1	Very low	30.6	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	81%	0.81	S	S	*	*			cis	-160.4	151.3	29.3	43.6	0	0	0	0	112.3
276	Q	29.3	Very low	30.2	Very low	190 Å²	190	138.6 Å²	138.6	89%	0.888	81%	0.811	S	S	*	*			trans	5.6	143.9	149.3	-62.8	166.1	-3.6	0	0	119.9
277	A	30.1	Very low	29.9	Very low	86 Å²	86	140.6 Å²	140.6	71%	0.711	81%	0.813	S	S	*	*			cis	-156.8	123.8	-4.9	0	0	0	0	0	108.2
278	V	28.9	Very low	29.4	Very low	136 Å²	136	140.3 Å²	140.3	82%	0.824	81%	0.809	S	S	*	*				54.1	101	90.8	-173.6	0	0	0	0	114.7
279	S	24.9	Very low	28.9	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	80%	0.804	S	S	*	*			trans	-98.6	109.8	172.9	52.5	0	0	0	0	111.8
280	Q	25	Very low	28.4	Very low	189 Å²	189	142.1 Å²	142.1	88%	0.883	80%	0.801	S	S	*	*			trans	-149	109.7	163.9	-72.2	-167.9	-2.7	0	0	111.7
281	S	26.1	Very low	28	Very low	116 Å²	116	138.2 Å²	138.2	81%	0.811	80%	0.797	S	S	*	*			trans	-155.7	113.1	153.7	54.2	0	0	0	0	107.1
282	A	28.6	Very low	27.8	Very low	99 Å²	99	133.8 Å²	133.8	82%	0.818	79%	0.787	S	S	*	*				80.9	123	70.1	0	0	0	0	0	112.4
283	C	22.7	Very low	27.6	Very low	137 Å²	137	129 Å²	129	93%	0.926	78%	0.78	S	S	*	*			trans	-63.1	132.7	177.6	-53.3	0	0	0	0	111.4
284	S	26.6	Very low	27.2	Very low	117 Å²	117	132.4 Å²	132.4	82%	0.818	78%	0.784	S	S	*	*			trans	-156.4	119.1	150.7	-149.9	0	0	0	0	110.8
285	A	26.4	Very low	27	Very low	94 Å²	94	137.2 Å²	137.2	78%	0.777	79%	0.787	S	S	*	*			trans	-96.8	102.3	173.9	0	0	0	0	0	108.9
286	H	28	Very low	26.6	Very low	171 Å²	171	138 Å²	138	79%	0.792	79%	0.792	S	S	*	*			trans	-168.3	161.8	165.9	-114.2	-84.5	0	0	0	111.1
287	H	28.4	Very low	26.6	Very low	152 Å²	152	133.8 Å²	133.8	70%	0.704	78%	0.784	S	S	*	*			trans	68.6	127.6	174.5	-86.3	-90.1	0	0	0	116.2
288	K	26.3	Very low	26.4	Very low	175 Å²	175	135.6 Å²	135.6	76%	0.761	79%	0.786	S	S	*	*			cis	61.6	121.9	40.2	-70.1	-165.5	175.7	-176.5	0	115.1
289	D	26.6	Very low	26.4	Very low	130 Å²	130	136.9 Å²	136.9	70%	0.695	79%	0.786	S	S	*	*			trans	98.1	115.7	153.5	-50.4	-40.1	0	0	0	119
290	C	25	Very low	26.7	Very low	111 Å²	111	137.5 Å²	137.5	75%	0.75	79%	0.785	S	S	*	*			trans	37.7	115.5	141.1	-57.5	0	0	0	0	120.7
291	I	26.2	Very low	26.7	Very low	167 Å²	167	132.8 Å²	132.8	86%	0.856	78%	0.778	S	S	*	*			trans	-103.4	89.7	133.1	-59.3	-178.2	0	0	0	107.7	V293	I291-V293 HydrophobicContact CG2-CG2 3.95Å; I291-V293 PolarHBondContact O-N 3.2Å
292	A	24.6	Very low	27.1	Very low	77 Å²	77	134.7 Å²	134.7	64%	0.636	79%	0.785	S	S	*	*			trans	-87.3	95.7	170.1	0	0	0	0	0	109.1	K294	A292-K294 PolarHBondContact O-N 3.35Å; A292-K294 VanDerWaalsContact O-N 3.12Å
293	V	28.3	Very low	27.1	Very low	111 Å²	111	132.8 Å²	132.8	67%	0.673	78%	0.775	S	S	*	*			trans	-78.1	95.4	167.7	-173.5	0	0	0	0	108.3	I291 Y295	I291-V293 HydrophobicContact CG2-CG2 3.95Å; I291-V293 PolarHBondContact O-N 3.2Å; V293-Y295 HydrophobicContact CG1-CD2 4.03Å; V293-Y295 HydrophobicContact CG1-CE2 4.31Å; V293-Y295 PolarHBondContact O-N 3.12Å
294	K	24.2	Very low	27.6	Very low	193 Å²	193	132 Å²	132	84%	0.839	77%	0.765	S	S	*	*			trans	-68	107.8	168.9	-72.8	177.8	176.1	176.5	0	109.5	A292	A292-K294 PolarHBondContact O-N 3.35Å; A292-K294 VanDerWaalsContact O-N 3.12Å
295	Y	28.1	Very low	27.8	Very low	212 Å²	212	135.8 Å²	135.8	83%	0.831	77%	0.768	S	S	*	*			trans	-108.2	110.7	147.6	-93.3	-81.6	0	0	0	108.9	V293	V293-Y295 HydrophobicContact CG1-CD2 4.03Å; V293-Y295 HydrophobicContact CG1-CE2 4.31Å; V293-Y295 PolarHBondContact O-N 3.12Å
296	S	24.1	Very low	28.1	Very low	119 Å²	119	135.4 Å²	135.4	83%	0.832	76%	0.756	S	S	*	*			trans	-103	103.4	178.8	173.4	0	0	0	0	108.8
297	S	30.1	Very low	28.3	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	76%	0.755	S	S	*	*			trans	-155.3	86.2	173.7	51	0	0	0	0	112.4
298	V	25	Very low	28.5	Very low	125 Å²	125	133.9 Å²	133.9	76%	0.758	76%	0.757	S	S	*	*			trans	-5	115.7	151.9	-176.1	0	0	0	0	117.7	V300	V298-V300 HydrophobicContact CG1-CG2 4.16Å
299	I	30.1	Very low	28.6	Very low	162 Å²	162	130 Å²	130	83%	0.831	75%	0.752	S	S	*	*			trans	-145.1	92.2	138.9	-57.9	-173	0	0	0	106.3
300	V	29.8	Very low	28.8	Very low	130 Å²	130	135.8 Å²	135.8	79%	0.788	76%	0.764	S	S	*	*				66.6	129.4	100.1	-179.5	0	0	0	0	114.9	V298	V298-V300 HydrophobicContact CG1-CG2 4.16Å
301	A	26.7	Very low	28.9	Very low	90 Å²	90	136 Å²	136	74%	0.744	77%	0.766	S	S	*	*			trans	-117.9	160.5	-161.8	0	0	0	0	0	115.3
302	V	32.5	Very low	29.3	Very low	156 Å²	156	134.6 Å²	134.6	95%	0.945	77%	0.765	S	S	*	*			trans	-151.8	142.5	153.9	-169.8	0	0	0	0	107.3
303	G	29.8	Very low	29.6	Very low	59 Å²	59	137.6 Å²	137.6	61%	0.608	78%	0.776	S	S	*	*			cis	175.5	67.2	-6.7	0	0	0	0	0	114.8
304	T	33.5	Very low	29.7	Very low	119 Å²	119	136 Å²	136	73%	0.73	78%	0.782	S	S	*	*			trans	43.5	126.3	134.6	-51	0	0	0	0	122	V306	T304-V306 HydrophobicContact CG2-CG2 3.5Å
305	F	30.4	Very low	29.8	Very low	198 Å²	198	130.3 Å²	130.3	87%	0.868	78%	0.778	S	S	*	*			trans	-169.2	108.4	143.2	-116.6	-84.5	0	0	0	107.1
306	V	32.7	Very low	30	Very low	86 Å²	86	126.6 Å²	126.6	52%	0.521	78%	0.783	S	S	.	*				68	120.4	55.8	-162.4	0	0	0	0	110.5	T304 L308	T304-V306 HydrophobicContact CG2-CG2 3.5Å; V306-L308 HydrophobicContact CG1-CD1 4.02Å
307	L	32.7	Very low	30.2	Very low	147 Å²	147	132.6 Å²	132.6	77%	0.77	79%	0.787	S	S	*	*				-153.4	146.9	61.7	-68.3	150.2	0	0	0	109.8
308	L	31.4	Very low	30.2	Very low	144 Å²	144	133.1 Å²	133.1	75%	0.754	79%	0.791	S	S	*	*				66.1	134	53.3	-64.3	171.5	0	0	0	113.5	V306	V306-L308 HydrophobicContact CG1-CD1 4.02Å
309	S	29	Very low	30.3	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	79%	0.79	S	S	*	*			cis	-173.1	162.8	-3	-76.9	0	0	0	0	111.6
310	R	30.8	Very low	30.4	Very low	251 Å²	251	128.1 Å²	128.1	95%	0.947	78%	0.781	S	S	*	*				138.6	142.7	128.6	-79.5	-175.8	168.8	177.6	-3.6	117.3
311	S	27.9	Very low	30.3	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	78%	0.78	S	S	*	*			trans	-115.2	151.4	-177.5	-30.8	0	0	0	0	112.6
312	V	33.1	Very low	30.2	Very low	138 Å²	138	132.2 Å²	132.2	84%	0.836	78%	0.779	S	S	*	*			trans	-157	111.5	155.1	-175.2	0	0	0	0	105.8
313	V	30.8	Very low	30.1	Very low	141 Å²	141	130 Å²	130	86%	0.855	77%	0.771	S	S	*	*				78.5	123.3	69.4	177.7	0	0	0	0	115.6
314	G	31.2	Very low	30	Very low	78 Å²	78	138 Å²	138	80%	0.804	78%	0.783	S	S	*	*			trans	87.8	139.5	164.7	0	0	0	0	0	116.1
315	G	26.9	Very low	30	Very low	73 Å²	73	140.4 Å²	140.4	75%	0.753	79%	0.789	S	S	*	*			cis	118.8	94.2	-5.8	0	0	0	0	0	114.8
316	S	32.2	Very low	30	Very low	134 Å²	134	139.6 Å²	139.6	94%	0.937	79%	0.788	S	S	*	*			trans	177.6	170.8	150.9	-86.9	0	0	0	0	113.5
317	R	27.3	Very low	29.9	Very low	245 Å²	245	139.2 Å²	139.2	93%	0.925	80%	0.802	S	S	*	*			trans	-102.1	179	-163.4	-68.4	172.2	161	178	-6.5	114.7
318	S	30.9	Very low	29.9	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	80%	0.803	S	S	*	*			trans	81.5	146.6	161.9	95.2	0	0	0	0	114.1
319	S	27.7	Very low	30	Very low	106 Å²	106	136 Å²	136	74%	0.741	81%	0.811	S	S	*	*			cis	160.5	156.7	-24.9	49.9	0	0	0	0	105.7
320	A	30.1	Very low	30.2	Very low	77 Å²	77	134.7 Å²	134.7	64%	0.636	81%	0.811	S	S	*	*			trans	81.1	119.2	159.5	0	0	0	0	0	120
321	Q	28.1	Very low	30.2	Very low	166 Å²	166	128.8 Å²	128.8	78%	0.776	80%	0.803	S	S	*	*				85.1	113.9	126.6	-71	177.8	-75.5	0	0	122.9
322	L	25.6	Very low	30.4	Very low	139 Å²	139	132 Å²	132	73%	0.728	80%	0.803	S	S	*	*				56.2	117.1	121.6	-67	161.1	0	0	0	120.9
323	S	30.7	Very low	30.2	Very low	110 Å²	110	132 Å²	132	77%	0.769	80%	0.797	S	S	*	*				164.5	115.3	110	57.7	0	0	0	0	109.8
324	R	25.9	Very low	30	Very low	227 Å²	227	129.6 Å²	129.6	86%	0.857	79%	0.786	S	S	*	*				63.6	96.9	89.9	-77.3	-169.2	178.3	-178.4	1.1	116.4
325	I	33.9	Very low	29.9	Very low	169 Å²	169	132.8 Å²	132.8	87%	0.867	78%	0.784	S	S	*	*			trans	-147.5	109.1	143.9	-53	-179.4	0	0	0	103.5
326	Q	31.4	Very low	29.9	Very low	182 Å²	182	136.4 Å²	136.4	85%	0.85	78%	0.782	S	S	*	*			cis	91	114.7	33.7	-137.8	-176.6	2	0	0	114.3
327	G	30.9	Very low	29.5	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	78%	0.776	S	S	*	*			trans	88.7	139.2	174.9	0	0	0	0	0	115.4
328	S	32.9	Very low	29.5	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	77%	0.774	S	S	*	*			cis	-162.7	124	-6.1	51.3	0	0	0	0	109.6
329	A	31.9	Very low	29.2	Very low	110 Å²	110	142 Å²	142	91%	0.909	78%	0.776	S	S	*	*				88.3	136.2	109	0	0	0	0	0	117
330	G	33.8	Very low	29.3	Very low	65 Å²	65	142 Å²	142	67%	0.67	77%	0.771	S	S	*	*			trans	122.5	49.5	172.4	0	0	0	0	0	116.6
331	T	31	Very low	29.1	Very low	126 Å²	126	145.1 Å²	145.1	77%	0.773	78%	0.777	S	S	*	*				62.7	123.3	97.1	60.2	0	0	0	0	118.8
332	F	31	Very low	29.2	Very low	182 Å²	182	144.8 Å²	144.8	80%	0.798	78%	0.779	S	S	*	*			trans	127.7	99.4	153.1	-86.2	-102	0	0	0	111.9
333	L	30.1	Very low	29.2	Very low	138 Å²	138	146.5 Å²	146.5	72%	0.723	78%	0.783	S	S	*	*				73.5	134.7	86.9	-80	160.1	0	0	0	112.5
334	C	27.2	Very low	29.2	Very low	92 Å²	92	149 Å²	149	62%	0.622	79%	0.788	S	S	*	*			cis	-166	165.5	-0.1	-154.6	0	0	0	0	111.6
335	L	28.7	Very low	29.3	Very low	145 Å²	145	142.4 Å²	142.4	76%	0.759	77%	0.774	S	S	*	*			trans	47.7	121.8	158.7	-67.1	149.3	0	0	0	119.3
336	Q	26.2	Very low	29	Very low	149 Å²	149	141.5 Å²	141.5	70%	0.696	77%	0.771	S	S	*	*			cis	75.8	121.8	41.7	-164.1	176.7	16.9	0	0	116.1
337	R	25	Very low	28.9	Very low	220 Å²	220	142.9 Å²	142.9	83%	0.83	78%	0.775	S	S	*	*			trans	63	121.9	164.2	-76.9	169.5	170.8	-171.2	-2.4	118.3
338	R	27	Very low	28.8	Very low	231 Å²	231	150.3 Å²	150.3	87%	0.872	78%	0.779	S	S	*	*				-159.4	129.7	95.7	-115.1	176.9	177.7	-174.5	-1.7	114.3	V340	R338-V340 HydrophobicContact CB-CG2 4.38Å
339	L	24.1	Very low	28.4	Very low	157 Å²	157	153 Å²	153	82%	0.822	78%	0.779	S	S	*	*			trans	-68.7	131.6	152.9	-162.7	84.5	0	0	0	107
340	V	30.6	Very low	28.1	Very low	105 Å²	105	154.5 Å²	154.5	64%	0.636	78%	0.777	S	S	*	*			trans	-126.6	107.3	167.9	177.7	0	0	0	0	108.3	R338 L342	R338-V340 HydrophobicContact CB-CG2 4.38Å; V340-L342 HydrophobicContact CG1-CD1 4.22Å; V340-L342 HydrophobicContact CG1-CG 4.05Å
341	L	24.5	Very low	27.7	Very low	143 Å²	143	160.1 Å²	160.1	75%	0.749	78%	0.783	S	S	*	*			trans	-73.8	125.6	158	-70.3	163.1	0	0	0	107.2
342	L	30.4	Very low	27.5	Very low	159 Å²	159	160.7 Å²	160.7	83%	0.832	79%	0.786	S	S	*	*			trans	-124	104.3	156.7	-87.7	167.5	0	0	0	107.6	V340	V340-L342 HydrophobicContact CG1-CD1 4.22Å; V340-L342 HydrophobicContact CG1-CG 4.05Å
343	Q	26.1	Very low	27.2	Very low	175 Å²	175	156.4 Å²	156.4	82%	0.818	78%	0.779	S	S	*	*			trans	-72.9	121.8	159.9	-79.8	162.4	-97.3	0	0	107.4
344	D	30.3	Very low	27.4	Very low	163 Å²	163	156 Å²	156	87%	0.872	78%	0.784	S	S	*	*			trans	-105.5	114.1	155.9	-122.4	-33.7	0	0	0	108.2
345	P	27.5	Very low	27.5	Very low	87 Å²	87	157.6 Å²	157.6	57%	0.565	80%	0.796	S	S	*	*			trans	-84.1	164.8	174	34.4	-32.3	0	0	0	111
346	N	29.1	Very low	27.3	Very low	150 Å²	150	157.3 Å²	157.3	80%	0.802	80%	0.8	S	S	*	*			trans	87.4	78.8	170.9	-43.8	-51.5	0	0	0	117.6
347	F	29.4	Very low	27.1	Very low	212 Å²	212	155.9 Å²	155.9	93%	0.93	81%	0.806	S	S	*	*				-147.3	125.3	112.9	-142.1	-106.3	0	0	0	110.9
348	R	28	Very low	27.1	Very low	234 Å²	234	149.9 Å²	149.9	88%	0.883	80%	0.797	S	S	*	*			trans	-85.5	146.8	-176.9	-98.3	-174.6	170.9	-164.9	-1.6	111.4
349	Q	24.2	Very low	27.1	Very low	171 Å²	171	143.5 Å²	143.5	80%	0.799	79%	0.788	S	S	*	*			trans	-60.6	146.5	169.2	-59.8	163.7	-27.3	0	0	112.1
350	T	26.9	Very low	27.2	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	79%	0.788	S	S	*	*			trans	-144.2	109.1	141.5	19.4	0	0	0	0	110.5
351	F	23.7	Very low	26.9	Very low	183 Å²	183	147.6 Å²	147.6	80%	0.803	79%	0.791	S	S	*	*			trans	-69.2	132.9	163	-97.8	-112	0	0	0	110.1
352	V	28.5	Very low	27.2	Very low	137 Å²	137	152.3 Å²	152.3	83%	0.83	80%	0.799	S	S	*	*			trans	-146.1	130.1	145.9	-174.4	0	0	0	0	108.9
353	S	24.4	Very low	26.9	Very low	93 Å²	93	151.6 Å²	151.6	65%	0.65	80%	0.796	S	S	*	*			trans	-118.9	-175.1	173.6	-48.7	0	0	0	0	109.7
354	P	33	Very low	27	Very low	129 Å²	129	151.7 Å²	151.7	84%	0.838	80%	0.801	S	S	*	*				-114.2	172.9	-105.6	34.6	-17.4	0	0	0	113.8
355	S	29.6	Very low	26.8	Very low	125 Å²	125	150.9 Å²	150.9	87%	0.874	79%	0.792	S	S	*	*			trans	-146.1	164.8	167.3	63.9	0	0	0	0	113.4
356	V	24.2	Very low	26.8	Very low	139 Å²	139	155.1 Å²	155.1	84%	0.842	81%	0.807	S	S	*	*			trans	-126.6	141.2	-155.4	172	0	0	0	0	111.4
357	C	23.3	Very low	26.5	Very low	119 Å²	119	155.8 Å²	155.8	80%	0.804	81%	0.805	S	S	*	*			trans	-163.9	125.6	149.7	-109	0	0	0	0	107.5
358	S	23.9	Very low	26.5	Very low	94 Å²	94	150.8 Å²	150.8	66%	0.657	80%	0.796	S	S	*	*				51.6	115.3	79	-166.9	0	0	0	0	111.4
359	S	27.8	Very low	26.3	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	79%	0.792	S	S	*	*				-167.3	142.8	63.1	-56	0	0	0	0	114.2
360	R	25.5	Very low	26.6	Very low	215 Å²	215	147 Å²	147	81%	0.811	80%	0.798	S	S	*	*				54.3	121.5	128.8	-68.4	-175.4	173.7	150.6	-1.3	123.2
361	D	25.4	Very low	26.5	Very low	132 Å²	132	147.7 Å²	147.7	71%	0.706	80%	0.796	S	S	*	*				55.3	118.6	127.5	-42.4	-34	0	0	0	120.6
362	R	29	Very low	26.8	Very low	243 Å²	243	147.5 Å²	147.5	92%	0.917	80%	0.801	S	S	*	*				-172.6	148.2	93.6	-96.2	167	-166.6	-156.6	2	114
363	N	24.6	Very low	26.7	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	79%	0.792	S	S	*	*			trans	-59.6	157.9	176.2	-55.1	-37	0	0	0	113.5
364	L	29.2	Very low	26.8	Very low	176 Å²	176	147.9 Å²	147.9	92%	0.921	80%	0.797	S	S	*	*			trans	-150.5	133	131.9	-107.8	167.3	0	0	0	110.9
365	H	25.5	Very low	26.7	Very low	146 Å²	146	149.5 Å²	149.5	68%	0.676	80%	0.798	S	S	*	*			trans	-71.5	152.9	175.8	-80.8	-119.6	0	0	0	111.6
366	M	27.5	Very low	26.5	Very low	177 Å²	177	149.7 Å²	149.7	87%	0.872	79%	0.794	S	S	*	*				-160.3	122.8	114.4	-114	177.1	72.4	0	0	111.8
367	E	23	Very low	26.9	Very low	163 Å²	163	149 Å²	149	76%	0.762	79%	0.792	S	S	*	*			trans	-90.5	141.8	165.7	-67.8	160	108.5	0	0	109.4
368	S	28.6	Very low	27.1	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	79%	0.79	S	S	*	*			trans	-165.3	94.9	144.3	37.5	0	0	0	0	110.7
369	T	24	Very low	27.5	Very low	132 Å²	132	149.1 Å²	149.1	81%	0.81	80%	0.8	S	S	*	*			trans	-63	138.9	156	44.2	0	0	0	0	110.3
370	E	29.9	Very low	27.6	Very low	195 Å²	195	151.1 Å²	151.1	91%	0.911	81%	0.808	S	S	*	*			trans	-155	144.5	135.9	-121.5	171	-147.5	0	0	112.4
371	N	25.6	Very low	27.9	Very low	154 Å²	154	146.9 Å²	146.9	82%	0.824	81%	0.809	S	S	*	*			trans	-92.9	135	-171.8	-62.2	-77.4	0	0	0	110.9
372	I	29.7	Very low	28.1	Very low	179 Å²	179	148.2 Å²	148.2	92%	0.918	82%	0.816	S	S	*	*			trans	-131.1	130.2	150.7	-61.2	-175.7	0	0	0	109.2
373	S	26.9	Very low	28.1	Very low	91 Å²	91	140.6 Å²	140.6	64%	0.636	81%	0.805	S	S	*	*			trans	-112.7	149.9	-168.3	56.2	0	0	0	0	112.1
374	I	27.4	Very low	28.4	Very low	147 Å²	147	142.6 Å²	142.6	75%	0.754	81%	0.81	S	S	*	*			trans	67.6	121.3	156.1	-56.5	150.6	0	0	0	116.6
375	L	29.6	Very low	28.5	Very low	164 Å²	164	146.5 Å²	146.5	86%	0.859	81%	0.812	S	S	*	*				-174.4	119.9	115.8	-95.9	171.4	0	0	0	110.6
376	T	26.8	Very low	28.7	Very low	129 Å²	129	148.8 Å²	148.8	79%	0.791	82%	0.82	S	S	*	*			trans	-74.8	155.3	169.4	-23.1	0	0	0	0	110.2
377	P	31.2	Very low	28.9	Very low	124 Å²	124	148.4 Å²	148.4	81%	0.805	82%	0.821	S	S	*	*				-144.5	167.4	110.7	33.5	-16.7	0	0	0	115.4
378	A	27.1	Very low	29.2	Very low	91 Å²	91	151.1 Å²	151.1	75%	0.752	83%	0.825	S	S	*	*			trans	-81.8	160.1	-175.2	0	0	0	0	0	114.4
379	S	33.2	Very low	29.3	Very low	124 Å²	124	158.3 Å²	158.3	87%	0.867	84%	0.835	S	S	*	*			trans	-162.6	115.1	151	-82.6	0	0	0	0	111.5
380	T	29	Very low	29.7	Very low	141 Å²	141	157.3 Å²	157.3	87%	0.865	82%	0.824	S	S	*	*			trans	-117.8	148.3	163.1	-6.6	0	0	0	0	108.5
381	P	32.7	Very low	29.9	Very low	126 Å²	126	152.8 Å²	152.8	82%	0.818	81%	0.814	S	S	*	*			trans	-135.1	119.6	144.5	24.1	-5	0	0	0	114.3
382	N	29.6	Very low	30	Very low	159 Å²	159	152.7 Å²	152.7	85%	0.85	81%	0.813	S	S	*	*			trans	12.3	128.7	141.5	-94.8	-27.9	0	0	0	122.1
383	A	29.8	Very low	30.4	Very low	83 Å²	83	150.3 Å²	150.3	69%	0.686	80%	0.801	S	S	*	*				88.6	150.5	121	0	0	0	0	0	121.8
384	Q	30.9	Very low	30.7	Very low	187 Å²	187	151.5 Å²	151.5	87%	0.874	80%	0.795	S	S	*	*			trans	79.4	85.5	166.4	-47.9	-168.1	21.9	0	0	119.3
385	R	29.8	Very low	30.8	Very low	257 Å²	257	152.5 Å²	152.5	97%	0.97	80%	0.802	S	S	*	*				-165.8	158.7	107	-107.6	172.4	177.6	-174.1	-1.1	113.5
386	K	29.4	Very low	31	Very low	195 Å²	195	154.3 Å²	154.3	85%	0.848	80%	0.797	S	S	*	*			trans	-95.6	136.2	-168.4	-57.1	158.9	-179.7	171.1	0	110.1
387	N	32.3	Very low	31.3	Very low	168 Å²	168	157.8 Å²	157.8	90%	0.898	80%	0.802	S	S	*	*				-169	150.2	127	-99.4	-25	0	0	0	113.6
388	R	29.6	Very low	31.3	Very low	221 Å²	221	158.3 Å²	158.3	83%	0.834	80%	0.797	S	S	*	*			trans	-78.8	143.5	-169.1	-64.6	165.6	163.9	164.4	-7.3	112.4	I390	R388-I390 HydrophobicContact CB-CG1 4.03Å
389	R	31.7	Very low	31.8	Very low	257 Å²	257	161.3 Å²	161.3	97%	0.97	80%	0.801	S	S	*	*			trans	-114.2	117.4	143.2	-153	173	-167.4	177.5	4.1	108.3
390	I	32.2	Very low	31.7	Very low	111 Å²	111	164.4 Å²	164.4	57%	0.569	80%	0.802	S	S	*	*			trans	-85.2	135.2	-166.6	-62.4	169.8	0	0	0	109.4	R388 N392	R388-I390 HydrophobicContact CB-CG1 4.03Å; I390-N392 PolarHBondContact O-N 3.01Å
391	S	32.8	Very low	31.7	Very low	100 Å²	100	169.3 Å²	169.3	70%	0.699	81%	0.805	S	S	*	*			trans	-78.9	107.6	163.7	45.1	0	0	0	0	109.2	I393	S391-I393 PolarHBondContact O-N 3.47Å
392	N	29.3	Very low	31.5	Very low	153 Å²	153	168.7 Å²	168.7	82%	0.818	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	44.6	-176.6	-70.4	-12	0	0	0	113.2	I390	I390-N392 PolarHBondContact O-N 3.01Å
393	I	36.9	Very low	31.5	Very low	129 Å²	129	170.3 Å²	170.3	66%	0.662	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-10.2	-172.3	-114.2	170.8	0	0	0	113.6	S391	S391-I393 PolarHBondContact O-N 3.47Å
394	F	32.5	Very low	31.6	Very low	115 Å²	115	174 Å²	174	50%	0.504	81%	0.808	S	S	.	*	S	Bend	trans	-148.4	100.5	167.4	-62.6	-68.9	0	0	0	111.4
395	N	31.4	Very low	31.8	Very low	169 Å²	169	172.2 Å²	172.2	90%	0.904	80%	0.804	S	S	*	*			trans	178.1	103.6	145.9	-94.2	1.4	0	0	0	108.7
396	R	33.6	Very low	31.8	Very low	201 Å²	201	163.6 Å²	163.6	76%	0.758	80%	0.796	S	S	*	*			trans	-78.5	142.6	153.3	-85.7	179.8	164.7	140.8	-4.1	106.9	E468	R396-E468 IonicContact CZ-OE2 3.93Å; R396-E468 IonicContact NH1-OE2 2.96Å; R396-E468 PolarHBondContact NH1-OE2 2.85Å; R396-E468 IonicContact NH2-OE2 2.82Å
397	K	32.6	Very low	31.9	Very low	203 Å²	203	164.2 Å²	164.2	88%	0.883	80%	0.802	S	S	*	*			trans	-80.4	125.4	159.5	-75	-177.5	171.7	-172.7	0	106.9
398	D	31.7	Very low	31.8	Very low	134 Å²	134	164.2 Å²	164.2	72%	0.717	80%	0.798	S	S	*	*			trans	-87.7	175.5	151.2	-64.2	-52.8	0	0	0	108
399	D	35.8	Very low	31.8	Very low	155 Å²	155	159.3 Å²	159.3	83%	0.829	79%	0.792	S	S	*	*			trans	71.6	121.2	-177.7	-44.8	-34.4	0	0	0	114.3
400	E	33.1	Very low	31.7	Very low	189 Å²	189	153 Å²	153	88%	0.883	78%	0.783	S	S	*	*			cis	-144	162	2.7	-60.2	-176.1	109.9	0	0	111.5
401	R	28	Very low	31.5	Very low	244 Å²	244	154 Å²	154	92%	0.921	80%	0.796	S	S	*	*			trans	-104.6	142.9	163	-106.6	-177.2	174.7	-178.9	-1.1	108.6
402	P	29.2	Very low	31.2	Very low	113 Å²	113	152.6 Å²	152.6	73%	0.734	80%	0.798	S	S	*	*				-145	137.5	120	30.7	-13.2	0	0	0	116.6
403	K	28.1	Very low	31.3	Very low	193 Å²	193	153.3 Å²	153.3	84%	0.839	80%	0.8	S	S	*	*			trans	41.5	117.7	138.2	-58.1	176	-179.8	176.9	0	119.8
404	N	33.4	Very low	30.9	Very low	159 Å²	159	150.6 Å²	150.6	85%	0.85	80%	0.804	S	S	*	*				-145.4	150	129.8	-124.4	-15.7	0	0	0	112.1
405	N	33.3	Very low	30.8	Very low	150 Å²	150	155 Å²	155	80%	0.802	83%	0.826	S	S	*	*			trans	-73.1	149.4	-155	-54.3	-40.9	0	0	0	116.7
406	G	31.2	Very low	31.6	Very low	76 Å²	76	150.2 Å²	150.2	78%	0.784	82%	0.816	S	S	*	*				100.2	76.6	117.2	0	0	0	0	0	120.1
407	E	31	Very low	33.1	Very low	209 Å²	209	144.2 Å²	144.2	98%	0.977	79%	0.794	S	S	*	*			trans	-149.5	157.1	140.4	-125.3	171.4	177.7	0	0	110.8
408	M	29.3	Very low	34.9	Very low	168 Å²	168	137.1 Å²	137.1	83%	0.828	77%	0.773	S	S	*	*			trans	-123.2	155.5	-151.7	-164.3	-179.6	71.4	0	0	112.8
409	V	30.3	Very low	37.2	Very low	117 Å²	117	137.9 Å²	137.9	71%	0.709	78%	0.775	S	S	*	*			trans	75.6	125.7	171.2	-165.4	0	0	0	0	113.2
410	T	29.1	Very low	39.5	Very low	126 Å²	126	131.3 Å²	131.3	77%	0.773	74%	0.741	S	S	*	*			cis	-128.7	150	19.8	42.1	0	0	0	0	113.5
411	P	28.3	Very low	42	Very low	130 Å²	130	126.1 Å²	126.1	84%	0.844	72%	0.722	S	S	*	*			trans	-97.6	130.5	165.2	34.7	-27.9	0	0	0	111.8
412	G	26.8	Very low	44.9	Very low	71 Å²	71	116.7 Å²	116.7	73%	0.732	69%	0.688	S	S	*	*			trans	142.1	90.2	165.4	0	0	0	0	0	115.9
413	I	30.7	Very low	47.8	Very low	169 Å²	169	115.8 Å²	115.8	87%	0.867	67%	0.674	S	S	*	*	S	Bend	trans	176.9	127.5	141.6	-89.8	149.3	0	0	0	104.1
414	G	28.5	Very low	50.7	Low	72 Å²	72	107.2 Å²	107.2	74%	0.742	64%	0.641	S	S	*	*			trans	-61.8	140	-166.7	0	0	0	0	0	113.4	G416	G414-G416 PolarHBondContact O-N 3.28Å
415	E	31.4	Very low	53.3	Low	207 Å²	207	103.1 Å²	103.1	97%	0.967	62%	0.618	S	S	*	*			trans	-68.3	74.3	171.4	-68.5	-171.6	145	0	0	110.6	R417	E415-R417 PolarHBondContact O-N 3.08Å
416	G	47.2	Very low	55.7	Low	68 Å²	68	97.9 Å²	97.9	70%	0.701	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-65.6	130	170.8	0	0	0	0	0	110.1	G414	G414-G416 PolarHBondContact O-N 3.28Å
417	R	66.5	Low	58.1	Low	76 Å²	76	98 Å²	98	29%	0.287	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-57.6	145.2	171.8	-160	-154.6	-138	132	1.9	110	E415 I419 Y454 Y460 N463	E415-R417 PolarHBondContact O-N 3.08Å; R417-I419 PolarHBondContact O-N 3.29Å; R417-Y454 PolarHBondContact NH2-OH 3.07Å; R417-Y460 VanDerWaalsContact CZ-CE2 3.42Å; R417-Y460 VanDerWaalsContact NH1-CD2 3.29Å; R417-Y460 VanDerWaalsContact NH1-CZ 3.26Å; R417-Y460 PolarHBondContact NH1-O 2.7Å; R417-Y460 PolarHBondContact NH2-O 3.29Å; R417-N463 PolarHBondContact NH2-OD1 2.85Å
418	A	70.5	Confident	60.4	Low	54 Å²	54	92.4 Å²	92.4	45%	0.446	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-48.4	131.1	172.5	0	0	0	0	0	111.3	P420 Y446	A418-P420 WeakPolarHBondContact O-CD 3.37Å; A418-Y446 HydrophobicContact CB-CD1 4.08Å; A418-Y446 HydrophobicContact CB-CE1 4.08Å; A418-Y446 WeakPolarHBondContact O-CE1 3.37Å
419	I	80.4	Confident	62.6	Low	149 Å²	149	91.5 Å²	91.5	76%	0.764	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-78.8	122.6	-179.1	-60.9	170.1	0	0	0	108.3	R417	R417-I419 PolarHBondContact O-N 3.29Å
420	P	83.6	Confident	64.4	Low	17 Å²	17	88.1 Å²	88.1	11%	0.11	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-74.8	138.6	177.7	29.5	-32.8	0	0	0	111.8	A418 K422 Q423 C444 L445 Y446	A418-P420 WeakPolarHBondContact O-CD 3.37Å; P420-K422 VanDerWaalsContact C-N 3.31Å; P420-K422 PolarHBondContact O-N 2.88Å; P420-Q423 HydrophobicContact CB-CB 4.25Å; P420-Q423 HydrophobicContact CG-CB 3.76Å; P420-Q423 HydrophobicContact CG-CG 4.01Å; P420-Q423 VanDerWaalsContact CG-OE1 3.25Å; P420-C444 HydrophobicContact CB-CB 3.93Å; P420-C444 HydrophobicContact CG-CB 4.41Å; P420-L445 CarbonylContact C-O 3.53Å; P420-L445 WeakPolarHBondContact CA-O 3.26Å; P420-L445 WeakPolarHBondContact CB-O 3.13Å; P420-Y446 HydrophobicContact CB-CD1 4.05Å; P420-Y446 HydrophobicContact CB-CE1 3.94Å
421	V	85.4	Confident	66	Low	81 Å²	81	88 Å²	88	49%	0.491	52%	0.515	S	S	.	.	S	Bend	trans	-63.2	-36.3	173.7	179.8	0	0	0	0	111.4	L445	V421-L445 PolarHBondContact N-O 2.81Å
422	K	88.6	Confident	67.5	Low	46 Å²	46	89.6 Å²	89.6	20%	0.2	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.9	167.5	-163.4	173.3	-179.4	72	0	109.5	P420 L445 E547 W548 A551	P420-K422 VanDerWaalsContact C-N 3.31Å; P420-K422 PolarHBondContact O-N 2.88Å; K422-L445 PolarHBondContact N-O 3Å; K422-L445 PolarHBondContact O-N 3.04Å; K422-E547 IonicContact NZ-OE2 2.76Å; K422-E547 PolarHBondContact NZ-OE2 3.02Å; K422-W548 HydrophobicContact CB-CH2 4.32Å; K422-W548 HydrophobicContact CB-CZ3 4.21Å; K422-W548 HydrophobicContact CD-CD2 3.87Å; K422-W548 HydrophobicContact CD-CE3 4Å; K422-W548 HydrophobicContact CD-CG 4.27Å; K422-W548 HydrophobicContact CD-CZ2 4.48Å; K422-W548 HydrophobicContact CD-CZ3 4.36Å; K422-W548 HydrophobicContact CG-CD2 4.39Å; K422-W548 HydrophobicContact CG-CE3 4.35Å; K422-W548 HydrophobicContact CG-CH2 4.1Å; K422-W548 HydrophobicContact CG-CZ2 4.13Å; K422-W548 HydrophobicContact CG-CZ3 4.21Å; K422-A551 HydrophobicContact CB-CB 4.33Å; K422-A551 HydrophobicContact CD-CB 3.77Å
423	Q	91.3	Very high	68.9	Low	93 Å²	93	90.1 Å²	90.1	44%	0.435	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.2	175.3	60.6	-179	-3.1	0	0	111	P420 Y442 V443	P420-Q423 HydrophobicContact CB-CB 4.25Å; P420-Q423 HydrophobicContact CG-CB 3.76Å; P420-Q423 HydrophobicContact CG-CG 4.01Å; P420-Q423 VanDerWaalsContact CG-OE1 3.25Å; Q423-Y442 HydrophobicContact CB-CE1 4.36Å; Q423-Y442 PolarHBondContact OE1-OH 3.05Å; Q423-Y442 VanDerWaalsContact OE1-OH 3.04Å; Q423-V443 CarbonylContact C-O 3.46Å; Q423-V443 VanDerWaalsContact CA-O 3.24Å; Q423-V443 WeakPolarHBondContact CA-O 3.31Å
424	G	87.8	Confident	70.1	Confident	14 Å²	14	90.3 Å²	90.3	14%	0.144	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-173.1	-178.3	0	0	0	0	0	113.8	V443	G424-V443 PolarHBondContact N-O 2.71Å; G424-V443 PolarHBondContact O-N 3.19Å
425	L	87.4	Confident	71.4	Confident	72 Å²	72	91.2 Å²	91.2	38%	0.377	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	102.3	-172.2	-71.4	160.5	0	0	0	111.3	K440 K441 Y442	L425-K440 HydrophobicContact CB-CD 4.49Å; L425-K440 HydrophobicContact CB-CG 4.29Å; L425-K440 HydrophobicContact CD2-CD 4.43Å; L425-K440 HydrophobicContact CD2-CG 4.25Å; L425-K441 CarbonylContact C-O 3.59Å; L425-K441 WeakPolarHBondContact CA-O 3.35Å; L425-Y442 HydrophobicContact CD2-CD2 3.9Å; L425-Y442 HydrophobicContact CG-CD2 4.15Å
426	V	84.2	Confident	73.1	Confident	40 Å²	40	88.4 Å²	88.4	24%	0.242	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.2	-179.2	-172.7	0	0	0	0	110.2	K441 V443 W548	V426-K441 PolarHBondContact N-O 2.87Å; V426-K441 PolarHBondContact O-N 2.85Å; V426-V443 HydrophobicContact CB-CB 4.37Å; V426-V443 HydrophobicContact CB-CG2 3.75Å; V426-V443 HydrophobicContact CG2-CB 3.99Å; V426-V443 HydrophobicContact CG2-CG2 3.94Å; V426-W548 HydrophobicContact CG2-CD2 4.12Å; V426-W548 HydrophobicContact CG2-CH2 4.41Å; V426-W548 HydrophobicContact CG2-CZ2 3.85Å
427	Y	81.5	Confident	74.4	Confident	78 Å²	78	90.4 Å²	90.4	31%	0.306	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.3	175.7	-69.9	-93.8	0	0	0	111.2	K440 P538 L540	Y427-K440 HydrophobicContact CD1-CB 4Å; Y427-K440 HydrophobicContact CD1-CG 4.29Å; Y427-K440 HydrophobicContact CE1-CB 3.73Å; Y427-K440 HydrophobicContact CE1-CD 4.17Å; Y427-K440 HydrophobicContact CE1-CG 3.86Å; Y427-K440 HydrophobicContact CE2-CD 4.48Å; Y427-K440 HydrophobicContact CE2-CG 4.26Å; Y427-P538 HydrophobicContact CD1-CB 3.91Å; Y427-P538 HydrophobicContact CD1-CG 3.59Å; Y427-P538 HydrophobicContact CD2-CB 3.43Å; Y427-P538 VanDerWaalsContact CD2-CB 3.43Å; Y427-P538 HydrophobicContact CD2-CG 3.59Å; Y427-P538 HydrophobicContact CE1-CB 3.91Å; Y427-P538 HydrophobicContact CE1-CG 4.08Å; Y427-P538 HydrophobicContact CE2-CB 3.43Å; Y427-P538 VanDerWaalsContact CE2-CB 3.43Å; Y427-P538 HydrophobicContact CE2-CG 4.08Å; Y427-P538 HydrophobicContact CG-CB 3.66Å; Y427-P538 HydrophobicContact CG-CG 3.3Å; Y427-L540 HydrophobicContact CD2-CD1 4.22Å
428	K	78.6	Confident	74.9	Confident	93 Å²	93	92.1 Å²	92.1	40%	0.404	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126	177.4	-177.8	171.6	-177.8	166.6	0	110.4	K439 K441 Y453	K428-K439 PolarHBondContact N-O 3.06Å; K428-K439 PolarHBondContact O-N 3.32Å; K428-K441 HydrophobicContact CB-CG 4.23Å; K428-Y453 HydrophobicContact CD-CD2 4.4Å; K428-Y453 HydrophobicContact CD-CE2 4.21Å; K428-Y453 PolarHBondContact NZ-OH 2.78Å
429	R	76.5	Confident	75.3	Confident	148 Å²	148	93.9 Å²	93.9	56%	0.558	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.2	167	-163.3	173.9	69.3	178.7	0.2	109.8	K436 W438	R429-K436 WeakPolarHBondContact CG-O 3.42Å; R429-W438 HydrophobicContact CB-CD2 3.92Å; R429-W438 HydrophobicContact CB-CE3 3.8Å; R429-W438 HydrophobicContact CB-CH2 4.15Å; R429-W438 HydrophobicContact CB-CZ2 4.25Å; R429-W438 HydrophobicContact CB-CZ3 3.92Å; R429-W438 HydrophobicContact CG-CD2 4.37Å
430	S	68.1	Low	75.6	Confident	46 Å²	46	91.6 Å²	91.6	32%	0.322	46%	0.46	S	S	.	.			trans	-72.2	145	171.9	-175.3	0	0	0	0	111.4	K432 N435	S430-K432 PolarHBondContact OG-N 2.85Å; S430-N435 WeakPolarHBondContact CB-O 3.4Å
431	S	62.8	Low	75.8	Confident	125 Å²	125	93 Å²	93	87%	0.874	46%	0.464	S	S	*	.	S	Bend	trans	-83.1	-17.1	169.3	53.8	0	0	0	0	113.3	A433	S431-A433 PolarHBondContact O-N 2.84Å
432	K	60.4	Low	76	Confident	162 Å²	162	90.4 Å²	90.4	70%	0.704	45%	0.446	S	S	*	.	S	Bend	trans	-71.7	121.6	178.9	-65.2	-171.9	177.2	-174.2	0	109.8	S430 L434 N435	S430-K432 PolarHBondContact OG-N 2.85Å; K432-L434 PolarHBondContact O-N 2.74Å; K432-L434 VanDerWaalsContact O-N 3.1Å; K432-N435 PolarHBondContact O-N 3.2Å
433	A	55.2	Low	76.1	Confident	82 Å²	82	88.9 Å²	88.9	68%	0.678	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-52.9	-35.8	-172.4	0	0	0	0	0	114.4	S431 N435	S431-A433 PolarHBondContact O-N 2.84Å; A433-N435 PolarHBondContact O-N 3.41Å
434	L	55.4	Low	76.1	Confident	173 Å²	173	84.5 Å²	84.5	91%	0.906	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-69	-7	179.5	-83	155.3	0	0	0	115.4	K432	K432-L434 PolarHBondContact O-N 2.74Å; K432-L434 VanDerWaalsContact O-N 3.1Å
435	N	55.9	Low	76.2	Confident	92 Å²	92	83.8 Å²	83.8	49%	0.492	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-152.8	54.6	-173.8	-130.1	-45.3	0	0	0	112.6	S430 K432 A433 E437	S430-N435 WeakPolarHBondContact CB-O 3.4Å; K432-N435 PolarHBondContact O-N 3.2Å; A433-N435 PolarHBondContact O-N 3.41Å; N435-E437 PolarHBondContact O-N 2.71Å
436	K	67.4	Low	76.3	Confident	148 Å²	148	80.8 Å²	80.8	64%	0.643	40%	0.397	S	S	*	.			trans	-67.5	17.7	-178	-70.9	-178.8	179.6	175.4	0	115.3	R429	R429-K436 WeakPolarHBondContact CG-O 3.42Å
437	E	74.1	Confident	76.3	Confident	109 Å²	109	82.8 Å²	82.8	51%	0.509	41%	0.412	S	S	.	.			trans	-71.6	145.9	-179.2	-166	-179.3	-155.2	0	0	112.1	N435 K439	N435-E437 PolarHBondContact O-N 2.71Å; E437-K439 WeakPolarHBondContact OE2-CE 3.39Å; E437-K439 IonicContact OE2-NZ 2.73Å; E437-K439 PolarHBondContact OE2-NZ 3.36Å
438	W	77.1	Confident	76.3	Confident	112 Å²	112	82.5 Å²	82.5	42%	0.424	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.3	171.2	-69.2	96	0	0	0	110	R429	R429-W438 HydrophobicContact CB-CD2 3.92Å; R429-W438 HydrophobicContact CB-CE3 3.8Å; R429-W438 HydrophobicContact CB-CH2 4.15Å; R429-W438 HydrophobicContact CB-CZ2 4.25Å; R429-W438 HydrophobicContact CB-CZ3 3.92Å; R429-W438 HydrophobicContact CG-CD2 4.37Å
439	K	79.6	Confident	76.5	Confident	92 Å²	92	78 Å²	78	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.9	177.6	-55.4	-164.4	-174.1	-139.2	0	110	K428 E437	K428-K439 PolarHBondContact N-O 3.06Å; K428-K439 PolarHBondContact O-N 3.32Å; E437-K439 WeakPolarHBondContact OE2-CE 3.39Å; E437-K439 IonicContact OE2-NZ 2.73Å; E437-K439 PolarHBondContact OE2-NZ 3.36Å
440	K	86.3	Confident	77	Confident	101 Å²	101	74.7 Å²	74.7	44%	0.439	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.5	172	-153.4	173.9	-173.1	-179.9	0	108.5	L425 Y427	L425-K440 HydrophobicContact CB-CD 4.49Å; L425-K440 HydrophobicContact CB-CG 4.29Å; L425-K440 HydrophobicContact CD2-CD 4.43Å; L425-K440 HydrophobicContact CD2-CG 4.25Å; Y427-K440 HydrophobicContact CD1-CB 4Å; Y427-K440 HydrophobicContact CD1-CG 4.29Å; Y427-K440 HydrophobicContact CE1-CB 3.73Å; Y427-K440 HydrophobicContact CE1-CD 4.17Å; Y427-K440 HydrophobicContact CE1-CG 3.86Å; Y427-K440 HydrophobicContact CE2-CD 4.48Å; Y427-K440 HydrophobicContact CE2-CG 4.26Å
441	K	88	Confident	78	Confident	46 Å²	46	74 Å²	74	20%	0.2	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.5	177.8	-64.4	-64.7	158	-153.9	0	109.4	L425 V426 K428 V443 Y454 P455	L425-K441 CarbonylContact C-O 3.59Å; L425-K441 WeakPolarHBondContact CA-O 3.35Å; V426-K441 PolarHBondContact N-O 2.87Å; V426-K441 PolarHBondContact O-N 2.85Å; K428-K441 HydrophobicContact CB-CG 4.23Å; K441-V443 HydrophobicContact CB-CG2 4.26Å; K441-Y454 VanDerWaalsContact CD-O 3.31Å; K441-Y454 WeakPolarHBondContact CD-O 3.26Å; K441-P455 PolarHBondContact NZ-O 3.22Å
442	Y	90.4	Very high	79.3	Confident	26 Å²	26	68.1 Å²	68.1	10%	0.102	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.3	169.1	-164.1	-102.3	0	0	0	107.8	Q423 L425 C444 Y453 Y454 L457 Y460	Q423-Y442 HydrophobicContact CB-CE1 4.36Å; Q423-Y442 PolarHBondContact OE1-OH 3.05Å; Q423-Y442 VanDerWaalsContact OE1-OH 3.04Å; L425-Y442 HydrophobicContact CD2-CD2 3.9Å; L425-Y442 HydrophobicContact CG-CD2 4.15Å; Y442-C444 VanDerWaalsContact CE1-SG 3.56Å; Y442-Y453 CarbonylContact O-C 3.56Å; Y442-Y453 WeakPolarHBondContact O-CA 3.42Å; Y442-Y454 PolarHBondContact N-O 2.93Å; Y442-Y454 VanDerWaalsContact N-O 3.12Å; Y442-Y454 PolarHBondContact O-N 2.85Å; Y442-L457 HydrophobicContact CD1-CD1 4.21Å; Y442-L457 HydrophobicContact CD2-CB 4.28Å; Y442-L457 HydrophobicContact CD2-CD1 3.97Å; Y442-L457 HydrophobicContact CE1-CD1 3.93Å; Y442-L457 HydrophobicContact CE2-CD1 3.7Å; Y442-L457 HydrophobicContact CG-CD1 4.21Å; Y442-Y460 HydrophobicContact CD1-CD1 4.04Å; Y442-Y460 AromaticContact CD1-CD2 3.91Å; Y442-Y460 HydrophobicContact CD1-CD2 3.91Å; Y442-Y460 AromaticContact CD1-CG 3.59Å; Y442-Y460 HydrophobicContact CD1-CG 3.59Å; Y442-Y460 AromaticContact CE1-CD1 3.65Å; Y442-Y460 HydrophobicContact CE1-CD1 3.65Å; Y442-Y460 AromaticContact CE1-CD2 3.95Å; Y442-Y460 HydrophobicContact CE1-CD2 3.95Å; Y442-Y460 AromaticContact CE1-CE1 3.96Å; Y442-Y460 HydrophobicContact CE1-CE1 3.96Å; Y442-Y460 HydrophobicContact CE1-CE2 4.24Å; Y442-Y460 AromaticContact CE1-CG 3.65Å; Y442-Y460 HydrophobicContact CE1-CG 3.65Å
443	V	90.6	Very high	80.7	Confident	15 Å²	15	62 Å²	62	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.1	-172.9	-177.9	0	0	0	0	109.1	Q423 G424 V426 K441 L451 A452 W548	Q423-V443 CarbonylContact C-O 3.46Å; Q423-V443 VanDerWaalsContact CA-O 3.24Å; Q423-V443 WeakPolarHBondContact CA-O 3.31Å; G424-V443 PolarHBondContact N-O 2.71Å; G424-V443 PolarHBondContact O-N 3.19Å; V426-V443 HydrophobicContact CB-CB 4.37Å; V426-V443 HydrophobicContact CB-CG2 3.75Å; V426-V443 HydrophobicContact CG2-CB 3.99Å; V426-V443 HydrophobicContact CG2-CG2 3.94Å; K441-V443 HydrophobicContact CB-CG2 4.26Å; V443-L451 HydrophobicContact CG1-CD1 3.55Å; V443-L451 HydrophobicContact CG1-CG 4.15Å; V443-A452 CarbonylContact C-O 3.49Å; V443-A452 WeakPolarHBondContact CA-O 3.36Å; V443-W548 HydrophobicContact CB-CH2 4.14Å; V443-W548 HydrophobicContact CG1-CH2 4.07Å; V443-W548 HydrophobicContact CG1-CZ3 4.1Å
444	C	91.6	Very high	82.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122	-178.3	-61.2	0	0	0	0	108.7	P420 Y442 Y446 A452 Y460	P420-C444 HydrophobicContact CB-CB 3.93Å; P420-C444 HydrophobicContact CG-CB 4.41Å; Y442-C444 VanDerWaalsContact CE1-SG 3.56Å; C444-Y446 HydrophobicContact CB-CE1 4.45Å; C444-Y446 HydrophobicContact CB-CE2 4.16Å; C444-A452 PolarHBondContact N-O 2.96Å; C444-A452 PolarHBondContact O-N 3.41Å; C444-Y460 HydrophobicContact CB-CE2 4.5Å; C444-Y460 WeakPolarHBondContact SG-CE2 3.49Å
445	L	90.2	Very high	84	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123	172.3	176.1	62.8	0	0	0	108.6	P420 V421 K422 L451 L471 W548 A551 I552 Q555	P420-L445 CarbonylContact C-O 3.53Å; P420-L445 WeakPolarHBondContact CA-O 3.26Å; P420-L445 WeakPolarHBondContact CB-O 3.13Å; V421-L445 PolarHBondContact N-O 2.81Å; K422-L445 PolarHBondContact N-O 3Å; K422-L445 PolarHBondContact O-N 3.04Å; L445-L451 HydrophobicContact CB-CD1 4.04Å; L445-L451 HydrophobicContact CD1-CB 4.49Å; L445-L451 HydrophobicContact CD1-CD1 4.15Å; L445-L471 HydrophobicContact CD1-CD1 3.49Å; L445-L471 VanDerWaalsContact CD1-CD1 3.49Å; L445-W548 HydrophobicContact CB-CZ3 4.29Å; L445-A551 HydrophobicContact CD2-CB 3.85Å; L445-A551 WeakPolarHBondContact CD2-O 3.32Å; L445-I552 HydrophobicContact CD2-CG1 4.16Å; L445-Q555 HydrophobicContact CD1-CB 4.15Å; L445-Q555 HydrophobicContact CD1-CG 4.04Å; L445-Q555 HydrophobicContact CD2-CB 4.43Å; L445-Q555 HydrophobicContact CD2-CG 3.85Å; L445-Q555 HydrophobicContact CG-CG 3.94Å
446	Y	89	Confident	85.4	Confident	9 Å²	9	50.5 Å²	50.5	4%	0.035	24%	0.242	C	C	.	.			trans	-100.4	162.3	-179.8	-59.7	-72.5	0	0	0	112.1	A418 P420 C444 D448 G449 R450 A452	A418-Y446 HydrophobicContact CB-CD1 4.08Å; A418-Y446 HydrophobicContact CB-CE1 4.08Å; A418-Y446 WeakPolarHBondContact O-CE1 3.37Å; P420-Y446 HydrophobicContact CB-CD1 4.05Å; P420-Y446 HydrophobicContact CB-CE1 3.94Å; C444-Y446 HydrophobicContact CB-CE1 4.45Å; C444-Y446 HydrophobicContact CB-CE2 4.16Å; Y446-D448 WeakPolarHBondContact CB-OD1 3.5Å; Y446-D448 PolarHBondContact O-N 3.36Å; Y446-G449 PolarHBondContact O-N 2.91Å; Y446-G449 VanDerWaalsContact O-N 3.15Å; Y446-R450 HydrophobicContact CD2-CB 3.9Å; Y446-R450 WeakPolarHBondContact CD2-O 3.49Å; Y446-R450 PolarHBondContact N-O 3.41Å; Y446-A452 HydrophobicContact CE2-CB 3.73Å
447	S	83.5	Confident	86.3	Confident	82 Å²	82	47.5 Å²	47.5	57%	0.573	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22	-176.7	46.2	0	0	0	0	114	G449 Q555	S447-G449 VanDerWaalsContact C-N 3.29Å; S447-G449 PolarHBondContact O-N 3.04Å; S447-Q555 PolarHBondContact O-NE2 2.99Å
448	D	81.7	Confident	86.9	Confident	71 Å²	71	48.5 Å²	48.5	38%	0.38	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	7.4	175.6	61.4	14	0	0	0	114.1	Y446 R450 C559	Y446-D448 WeakPolarHBondContact CB-OD1 3.5Å; Y446-D448 PolarHBondContact O-N 3.36Å; D448-R450 VanDerWaalsContact C-N 3.35Å; D448-R450 VanDerWaalsContact OD1-CB 3.3Å; D448-R450 WeakPolarHBondContact OD1-CB 3.49Å; D448-R450 WeakPolarHBondContact OD1-CG 3.33Å; D448-R450 PolarHBondContact OD1-N 2.97Å; D448-R450 IonicContact OD1-NE 3.81Å; D448-R450 PolarHBondContact OD1-NE 3.49Å; D448-R450 IonicContact OD2-CZ 3.72Å; D448-R450 IonicContact OD2-NE 3.7Å; D448-R450 PolarHBondContact OD2-NE 2.83Å; D448-R450 IonicContact OD2-NH2 2.76Å; D448-R450 PolarHBondContact OD2-NH2 3.39Å; D448-C559 PolarHBondContact O-SG 3.45Å; D448-C559 VanDerWaalsContact O-SG 3.4Å
449	G	82.3	Confident	87.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	79.1	11.4	-179.4	0	0	0	0	0	114.7	Y446 S447 L471 C559	Y446-G449 PolarHBondContact O-N 2.91Å; Y446-G449 VanDerWaalsContact O-N 3.15Å; S447-G449 VanDerWaalsContact C-N 3.29Å; S447-G449 PolarHBondContact O-N 3.04Å; G449-L471 VanDerWaalsContact O-CB 3.28Å; G449-L471 WeakPolarHBondContact O-CB 3.21Å; G449-L471 VanDerWaalsContact O-CG 3.28Å; G449-L471 WeakPolarHBondContact O-CG 3.32Å; G449-L471 PolarHBondContact O-N 3.2Å; G449-C559 VanDerWaalsContact CA-SG 3.52Å
450	R	87.4	Confident	87.7	Confident	77 Å²	77	41.3 Å²	41.3	29%	0.291	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.3	165.9	-71.3	-176.4	-71.6	166.5	-12.9	110.9	Y446 D448 E468 L470	Y446-R450 HydrophobicContact CD2-CB 3.9Å; Y446-R450 WeakPolarHBondContact CD2-O 3.49Å; Y446-R450 PolarHBondContact N-O 3.41Å; D448-R450 VanDerWaalsContact C-N 3.35Å; D448-R450 VanDerWaalsContact OD1-CB 3.3Å; D448-R450 WeakPolarHBondContact OD1-CB 3.49Å; D448-R450 WeakPolarHBondContact OD1-CG 3.33Å; D448-R450 PolarHBondContact OD1-N 2.97Å; D448-R450 IonicContact OD1-NE 3.81Å; D448-R450 PolarHBondContact OD1-NE 3.49Å; D448-R450 IonicContact OD2-CZ 3.72Å; D448-R450 IonicContact OD2-NE 3.7Å; D448-R450 PolarHBondContact OD2-NE 2.83Å; D448-R450 IonicContact OD2-NH2 2.76Å; D448-R450 PolarHBondContact OD2-NH2 3.39Å; R450-E468 WeakPolarHBondContact CD-OE1 3.4Å; R450-E468 IonicContact CZ-OE1 2.76Å; R450-E468 IonicContact NE-OE1 3.3Å; R450-E468 IonicContact NH1-OE1 2.7Å; R450-E468 PolarHBondContact NH1-OE1 2.95Å; R450-L470 HydrophobicContact CG-CD2 3.65Å; R450-L470 HydrophobicContact CG-CG 4.28Å
451	L	89.3	Confident	87.6	Confident	33 Å²	33	43.3 Å²	43.3	17%	0.173	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102	166.9	-174.7	72	0	0	0	108.8	V443 L445 V469 L471 I552	V443-L451 HydrophobicContact CG1-CD1 3.55Å; V443-L451 HydrophobicContact CG1-CG 4.15Å; L445-L451 HydrophobicContact CB-CD1 4.04Å; L445-L451 HydrophobicContact CD1-CB 4.49Å; L445-L451 HydrophobicContact CD1-CD1 4.15Å; L451-V469 PolarHBondContact N-O 3.35Å; L451-V469 PolarHBondContact O-N 2.84Å; L451-L471 HydrophobicContact CB-CD1 4.41Å; L451-L471 HydrophobicContact CB-CD2 4.23Å; L451-L471 HydrophobicContact CB-CG 4.2Å; L451-L471 HydrophobicContact CD2-CD2 4.36Å; L451-I552 HydrophobicContact CD2-CD1 4.5Å
452	A	90.1	Very high	87.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.3	175.6	0	0	0	0	0	111.5	V443 C444 Y446 Y454 K467 E468	V443-A452 CarbonylContact C-O 3.49Å; V443-A452 WeakPolarHBondContact CA-O 3.36Å; C444-A452 PolarHBondContact N-O 2.96Å; C444-A452 PolarHBondContact O-N 3.41Å; Y446-A452 HydrophobicContact CE2-CB 3.73Å; A452-Y454 HydrophobicContact CB-CE2 3.83Å; A452-K467 CarbonylContact C-O 3.59Å; A452-K467 WeakPolarHBondContact CA-O 3.44Å; A452-E468 HydrophobicContact CB-CG 4.28Å
453	Y	90.7	Very high	87	Confident	34 Å²	34	50 Å²	50	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.6	170.5	64	-83.4	0	0	0	112	K428 Y442 K467 V469	K428-Y453 HydrophobicContact CD-CD2 4.4Å; K428-Y453 HydrophobicContact CD-CE2 4.21Å; K428-Y453 PolarHBondContact NZ-OH 2.78Å; Y442-Y453 CarbonylContact O-C 3.56Å; Y442-Y453 WeakPolarHBondContact O-CA 3.42Å; Y453-K467 HydrophobicContact CD1-CB 4.15Å; Y453-K467 WeakPolarHBondContact CD1-O 3.45Å; Y453-K467 HydrophobicContact CD2-CB 4.31Å; Y453-K467 HydrophobicContact CE1-CB 3.57Å; Y453-K467 WeakPolarHBondContact CE1-O 3.33Å; Y453-K467 HydrophobicContact CE2-CB 3.78Å; Y453-K467 HydrophobicContact CE2-CD 4Å; Y453-K467 HydrophobicContact CE2-CG 4.36Å; Y453-K467 HydrophobicContact CG-CB 4.48Å; Y453-K467 PolarHBondContact N-O 2.77Å; Y453-K467 PolarHBondContact O-N 2.98Å; Y453-K467 WeakPolarHBondContact OH-CD 3.42Å; Y453-V469 HydrophobicContact CE1-CG2 4.2Å
454	Y	91.1	Very high	86.5	Confident	11 Å²	11	52.2 Å²	52.2	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.6	-176.4	-63.1	-98	0	0	0	109.9	R417 K441 Y442 A452 S456 Y460 V464 G466	R417-Y454 PolarHBondContact NH2-OH 3.07Å; K441-Y454 VanDerWaalsContact CD-O 3.31Å; K441-Y454 WeakPolarHBondContact CD-O 3.26Å; Y442-Y454 PolarHBondContact N-O 2.93Å; Y442-Y454 VanDerWaalsContact N-O 3.12Å; Y442-Y454 PolarHBondContact O-N 2.85Å; A452-Y454 HydrophobicContact CB-CE2 3.83Å; Y454-S456 VanDerWaalsContact C-N 3.3Å; Y454-S456 PolarHBondContact O-N 2.99Å; Y454-Y460 AromaticContact CD2-CD2 3.76Å; Y454-Y460 HydrophobicContact CD2-CD2 3.76Å; Y454-Y460 HydrophobicContact CD2-CG 4.42Å; Y454-Y460 AromaticContact CE2-CD2 3.6Å; Y454-Y460 HydrophobicContact CE2-CD2 3.6Å; Y454-Y460 HydrophobicContact CE2-CE2 4.32Å; Y454-Y460 HydrophobicContact CG-CD2 4.32Å; Y454-V464 WeakPolarHBondContact CD1-O 3.48Å; Y454-G466 VanDerWaalsContact CD1-CA 3.46Å
455	P	87.1	Confident	85.9	Confident	50 Å²	50	58.2 Å²	58.2	33%	0.325	30%	0.297	S	S	.	.	S	Bend	trans	-60.6	-37.1	-179.1	-21.1	29.8	0	0	0	114	K441 D459 H465	K441-P455 PolarHBondContact NZ-O 3.22Å; P455-D459 WeakPolarHBondContact CB-OD2 3.47Å; P455-D459 HydrophobicContact CG-CB 4.42Å; P455-H465 HydrophobicContact CG-CB 3.58Å
456	S	86.8	Confident	85.6	Confident	45 Å²	45	59.8 Å²	59.8	32%	0.315	31%	0.313	S	S	.	.	S	Bend	trans	-143.3	175.1	175	73.4	0	0	0	0	111.5	Y454 K458 D459 Y460	Y454-S456 VanDerWaalsContact C-N 3.3Å; Y454-S456 PolarHBondContact O-N 2.99Å; S456-K458 VanDerWaalsContact C-N 3.26Å; S456-K458 PolarHBondContact OG-N 3.12Å; S456-D459 VanDerWaalsContact CB-OD2 3.27Å; S456-D459 WeakPolarHBondContact CB-OD2 3.31Å; S456-D459 PolarHBondContact N-OD2 2.65Å; S456-D459 PolarHBondContact OG-N 3.14Å; S456-D459 VanDerWaalsContact OG-N 3.15Å; S456-D459 PolarHBondContact OG-OD2 3.19Å; S456-Y460 PolarHBondContact O-N 3.02Å
457	L	85.6	Confident	85.4	Confident	85 Å²	85	64.4 Å²	64.4	45%	0.445	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-30.2	169.4	176.1	61.7	0	0	0	111.9	Y442 Y460 M461	Y442-L457 HydrophobicContact CD1-CD1 4.21Å; Y442-L457 HydrophobicContact CD2-CB 4.28Å; Y442-L457 HydrophobicContact CD2-CD1 3.97Å; Y442-L457 HydrophobicContact CE1-CD1 3.93Å; Y442-L457 HydrophobicContact CE2-CD1 3.7Å; Y442-L457 HydrophobicContact CG-CD1 4.21Å; L457-Y460 HydrophobicContact CD1-CD1 3.99Å; L457-Y460 WeakPolarHBondContact O-CB 3.39Å; L457-Y460 PolarHBondContact O-N 3.04Å; L457-M461 HydrophobicContact CD1-CG 4.4Å; L457-M461 HydrophobicContact CG-SD 4.29Å; L457-M461 WeakPolarHBondContact O-CG 3.47Å; L457-M461 PolarHBondContact O-N 2.88Å
458	K	86.4	Confident	85.5	Confident	130 Å²	130	63.7 Å²	63.7	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-65.9	-47.5	176.5	-177.3	-179.3	172.6	-178.1	0	110.9	S456 Y460 M461 E462	S456-K458 VanDerWaalsContact C-N 3.26Å; S456-K458 PolarHBondContact OG-N 3.12Å; K458-Y460 PolarHBondContact O-N 2.57Å; K458-M461 PolarHBondContact O-N 3.25Å; K458-E462 WeakPolarHBondContact CE-OE1 3.43Å; K458-E462 VanDerWaalsContact CE-OE2 3.24Å; K458-E462 WeakPolarHBondContact CE-OE2 3.42Å; K458-E462 HydrophobicContact CG-CG 4.39Å; K458-E462 IonicContact NZ-OE1 3.54Å; K458-E462 PolarHBondContact O-N 2.98Å
459	D	88	Confident	85.6	Confident	23 Å²	23	62 Å²	62	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-36.6	174.3	-60.2	-81.6	0	0	0	112	P455 S456 N463 V464 H465	P455-D459 WeakPolarHBondContact CB-OD2 3.47Å; P455-D459 HydrophobicContact CG-CB 4.42Å; S456-D459 VanDerWaalsContact CB-OD2 3.27Å; S456-D459 WeakPolarHBondContact CB-OD2 3.31Å; S456-D459 PolarHBondContact N-OD2 2.65Å; S456-D459 PolarHBondContact OG-N 3.14Å; S456-D459 VanDerWaalsContact OG-N 3.15Å; S456-D459 PolarHBondContact OG-OD2 3.19Å; D459-N463 PolarHBondContact O-N 2.85Å; D459-N463 VanDerWaalsContact O-N 3.09Å; D459-V464 PolarHBondContact O-N 3.4Å; D459-H465 IonicContact OD1-CE1 3.6Å; D459-H465 IonicContact OD1-CG 3.69Å; D459-H465 IonicContact OD1-ND1 3.3Å; D459-H465 PolarHBondContact OD1-ND1 2.85Å
460	Y	86.6	Confident	85.5	Confident	29 Å²	29	66.7 Å²	66.7	11%	0.114	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-60	168.2	173.8	-99.2	0	0	0	109.8	R417 Y442 C444 Y454 S456 L457 K458 E462 N463	R417-Y460 VanDerWaalsContact CZ-CE2 3.42Å; R417-Y460 VanDerWaalsContact NH1-CD2 3.29Å; R417-Y460 VanDerWaalsContact NH1-CZ 3.26Å; R417-Y460 PolarHBondContact NH1-O 2.7Å; R417-Y460 PolarHBondContact NH2-O 3.29Å; Y442-Y460 HydrophobicContact CD1-CD1 4.04Å; Y442-Y460 AromaticContact CD1-CD2 3.91Å; Y442-Y460 HydrophobicContact CD1-CD2 3.91Å; Y442-Y460 AromaticContact CD1-CG 3.59Å; Y442-Y460 HydrophobicContact CD1-CG 3.59Å; Y442-Y460 AromaticContact CE1-CD1 3.65Å; Y442-Y460 HydrophobicContact CE1-CD1 3.65Å; Y442-Y460 AromaticContact CE1-CD2 3.95Å; Y442-Y460 HydrophobicContact CE1-CD2 3.95Å; Y442-Y460 AromaticContact CE1-CE1 3.96Å; Y442-Y460 HydrophobicContact CE1-CE1 3.96Å; Y442-Y460 HydrophobicContact CE1-CE2 4.24Å; Y442-Y460 AromaticContact CE1-CG 3.65Å; Y442-Y460 HydrophobicContact CE1-CG 3.65Å; C444-Y460 HydrophobicContact CB-CE2 4.5Å; C444-Y460 WeakPolarHBondContact SG-CE2 3.49Å; Y454-Y460 AromaticContact CD2-CD2 3.76Å; Y454-Y460 HydrophobicContact CD2-CD2 3.76Å; Y454-Y460 HydrophobicContact CD2-CG 4.42Å; Y454-Y460 AromaticContact CE2-CD2 3.6Å; Y454-Y460 HydrophobicContact CE2-CD2 3.6Å; Y454-Y460 HydrophobicContact CE2-CE2 4.32Å; Y454-Y460 HydrophobicContact CG-CD2 4.32Å; S456-Y460 PolarHBondContact O-N 3.02Å; L457-Y460 HydrophobicContact CD1-CD1 3.99Å; L457-Y460 WeakPolarHBondContact O-CB 3.39Å; L457-Y460 PolarHBondContact O-N 3.04Å; K458-Y460 PolarHBondContact O-N 2.57Å; Y460-E462 VanDerWaalsContact C-N 3.25Å; Y460-E462 PolarHBondContact O-N 3.42Å; Y460-E462 VanDerWaalsContact O-N 3.16Å; Y460-N463 PolarHBondContact O-N 3.15Å
461	M	84.2	Confident	85.2	Confident	143 Å²	143	63.4 Å²	63.4	70%	0.704	33%	0.326	S	S	*	.	H	α-helix	trans	-54.8	-36.7	-177	-69.1	176.9	71.2	0	0	114	L457 K458 N463	L457-M461 HydrophobicContact CD1-CG 4.4Å; L457-M461 HydrophobicContact CG-SD 4.29Å; L457-M461 WeakPolarHBondContact O-CG 3.47Å; L457-M461 PolarHBondContact O-N 2.88Å; K458-M461 PolarHBondContact O-N 3.25Å; M461-N463 VanDerWaalsContact C-N 3.34Å
462	E	84.7	Confident	84.3	Confident	107 Å²	107	64 Å²	64	50%	0.5	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.1	178.8	-63.5	174.5	158.2	0	0	113.5	K458 Y460 V464	K458-E462 WeakPolarHBondContact CE-OE1 3.43Å; K458-E462 VanDerWaalsContact CE-OE2 3.24Å; K458-E462 WeakPolarHBondContact CE-OE2 3.42Å; K458-E462 HydrophobicContact CG-CG 4.39Å; K458-E462 IonicContact NZ-OE1 3.54Å; K458-E462 PolarHBondContact O-N 2.98Å; Y460-E462 VanDerWaalsContact C-N 3.25Å; Y460-E462 PolarHBondContact O-N 3.42Å; Y460-E462 VanDerWaalsContact O-N 3.16Å; E462-V464 VanDerWaalsContact C-N 3.27Å; E462-V464 HydrophobicContact CB-CG2 3.77Å; E462-V464 WeakPolarHBondContact O-CG2 3.41Å; E462-V464 PolarHBondContact O-N 2.75Å
463	N	80.8	Confident	83.4	Confident	106 Å²	106	68.5 Å²	68.5	57%	0.567	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	32.3	-175.8	-161.3	41.6	0	0	0	115.4	R417 D459 Y460 M461	R417-N463 PolarHBondContact NH2-OD1 2.85Å; D459-N463 PolarHBondContact O-N 2.85Å; D459-N463 VanDerWaalsContact O-N 3.09Å; Y460-N463 PolarHBondContact O-N 3.15Å; M461-N463 VanDerWaalsContact C-N 3.34Å
464	V	79.2	Confident	82.3	Confident	62 Å²	62	69.6 Å²	69.6	38%	0.376	38%	0.382	S	S	.	.			trans	-106.3	157.1	179.5	-154.9	0	0	0	0	110.2	Y454 D459 E462 G466	Y454-V464 WeakPolarHBondContact CD1-O 3.48Å; D459-V464 PolarHBondContact O-N 3.4Å; E462-V464 VanDerWaalsContact C-N 3.27Å; E462-V464 HydrophobicContact CB-CG2 3.77Å; E462-V464 WeakPolarHBondContact O-CG2 3.41Å; E462-V464 PolarHBondContact O-N 2.75Å; V464-G466 PolarHBondContact O-N 3.41Å
465	H	80.2	Confident	81.2	Confident	125 Å²	125	76 Å²	76	58%	0.579	42%	0.422	S	S	*	.	S	Bend	trans	58.4	10.8	172.2	-49.9	122	0	0	0	117	P455 D459	P455-H465 HydrophobicContact CG-CB 3.58Å; D459-H465 IonicContact OD1-CE1 3.6Å; D459-H465 IonicContact OD1-CG 3.69Å; D459-H465 IonicContact OD1-ND1 3.3Å; D459-H465 PolarHBondContact OD1-ND1 2.85Å
466	G	82.4	Confident	80.2	Confident	33 Å²	33	77 Å²	77	34%	0.34	43%	0.427	S	S	.	.			trans	-65	136.9	177.2	0	0	0	0	0	112.3	Y454 V464	Y454-G466 VanDerWaalsContact CD1-CA 3.46Å; V464-G466 PolarHBondContact O-N 3.41Å
467	K	85.7	Confident	79.2	Confident	107 Å²	107	83.7 Å²	83.7	47%	0.465	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.2	173.7	-70.6	-172.8	178.3	-170.9	0	110.2	A452 Y453	A452-K467 CarbonylContact C-O 3.59Å; A452-K467 WeakPolarHBondContact CA-O 3.44Å; Y453-K467 HydrophobicContact CD1-CB 4.15Å; Y453-K467 WeakPolarHBondContact CD1-O 3.45Å; Y453-K467 HydrophobicContact CD2-CB 4.31Å; Y453-K467 HydrophobicContact CE1-CB 3.57Å; Y453-K467 WeakPolarHBondContact CE1-O 3.33Å; Y453-K467 HydrophobicContact CE2-CB 3.78Å; Y453-K467 HydrophobicContact CE2-CD 4Å; Y453-K467 HydrophobicContact CE2-CG 4.36Å; Y453-K467 HydrophobicContact CG-CB 4.48Å; Y453-K467 PolarHBondContact N-O 2.77Å; Y453-K467 PolarHBondContact O-N 2.98Å; Y453-K467 WeakPolarHBondContact OH-CD 3.42Å
468	E	86.5	Confident	78	Confident	66 Å²	66	81.7 Å²	81.7	31%	0.308	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	148.2	-178.8	-57.6	-179.9	120.4	0	0	111.6	R396 R450 A452	R396-E468 IonicContact CZ-OE2 3.93Å; R396-E468 IonicContact NH1-OE2 2.96Å; R396-E468 PolarHBondContact NH1-OE2 2.85Å; R396-E468 IonicContact NH2-OE2 2.82Å; R450-E468 WeakPolarHBondContact CD-OE1 3.4Å; R450-E468 IonicContact CZ-OE1 2.76Å; R450-E468 IonicContact NE-OE1 3.3Å; R450-E468 IonicContact NH1-OE1 2.7Å; R450-E468 PolarHBondContact NH1-OE1 2.95Å; A452-E468 HydrophobicContact CB-CG 4.28Å
469	V	82.8	Confident	76.4	Confident	37 Å²	37	81.3 Å²	81.3	22%	0.224	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124.3	171.1	178.7	0	0	0	0	107.7	L451 Y453 L471 T474	L451-V469 PolarHBondContact N-O 3.35Å; L451-V469 PolarHBondContact O-N 2.84Å; Y453-V469 HydrophobicContact CE1-CG2 4.2Å; V469-L471 PolarHBondContact O-N 2.9Å; V469-T474 HydrophobicContact CG1-CG2 3.82Å; V469-T474 VanDerWaalsContact CG1-OG1 3.26Å; V469-T474 WeakPolarHBondContact CG1-OG1 3.32Å
470	L	80.8	Confident	74.6	Confident	98 Å²	98	84.6 Å²	84.6	51%	0.513	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111.3	176	-80.1	156.7	0	0	0	109.5	R450 G472 S473 T474	R450-L470 HydrophobicContact CG-CD2 3.65Å; R450-L470 HydrophobicContact CG-CG 4.28Å; L470-G472 VanDerWaalsContact C-N 3.32Å; L470-G472 PolarHBondContact O-N 2.94Å; L470-S473 PolarHBondContact O-N 3.47Å; L470-S473 PolarHBondContact O-OG 3.29Å; L470-T474 WeakPolarHBondContact O-CB 3.45Å; L470-T474 PolarHBondContact O-N 3.4Å; L470-T474 PolarHBondContact O-OG1 3.03Å
471	L	80.2	Confident	72.9	Confident	8 Å²	8	88.3 Å²	88.3	4%	0.042	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-64.4	-36.3	-176.6	-68.4	175.2	0	0	0	112.3	L445 G449 L451 V469 S473 T474 V476 I552 Q555 I556	L445-L471 HydrophobicContact CD1-CD1 3.49Å; L445-L471 VanDerWaalsContact CD1-CD1 3.49Å; G449-L471 VanDerWaalsContact O-CB 3.28Å; G449-L471 WeakPolarHBondContact O-CB 3.21Å; G449-L471 VanDerWaalsContact O-CG 3.28Å; G449-L471 WeakPolarHBondContact O-CG 3.32Å; G449-L471 PolarHBondContact O-N 3.2Å; L451-L471 HydrophobicContact CB-CD1 4.41Å; L451-L471 HydrophobicContact CB-CD2 4.23Å; L451-L471 HydrophobicContact CB-CG 4.2Å; L451-L471 HydrophobicContact CD2-CD2 4.36Å; V469-L471 PolarHBondContact O-N 2.9Å; L471-S473 PolarHBondContact O-N 3.25Å; L471-T474 PolarHBondContact O-N 3.44Å; L471-T474 VanDerWaalsContact O-N 3.15Å; L471-V476 HydrophobicContact CD2-CG2 4.3Å; L471-I552 HydrophobicContact CD1-CG2 4.09Å; L471-I552 HydrophobicContact CD2-CG2 4.17Å; L471-Q555 HydrophobicContact CD1-CB 4.37Å; L471-I556 HydrophobicContact CB-CG1 3.87Å; L471-I556 HydrophobicContact CD1-CG1 4.4Å
472	G	71.7	Confident	70.8	Confident	44 Å²	44	90.6 Å²	90.6	45%	0.454	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-63.3	-10.1	175.8	0	0	0	0	0	115.3	L470	L470-G472 VanDerWaalsContact C-N 3.32Å; L470-G472 PolarHBondContact O-N 2.94Å
473	S	70.7	Confident	68.6	Low	96 Å²	96	90.9 Å²	90.9	67%	0.671	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-127.4	16.3	175.3	66.9	0	0	0	0	113.2	L470 L471	L470-S473 PolarHBondContact O-N 3.47Å; L470-S473 PolarHBondContact O-OG 3.29Å; L471-S473 PolarHBondContact O-N 3.25Å
474	T	68.1	Low	66.7	Low	57 Å²	57	94.5 Å²	94.5	35%	0.35	54%	0.539	S	S	.	.	S	Bend	trans	-125.1	124.4	-176	-59	0	0	0	0	111.4	V469 L470 L471 V476	V469-T474 HydrophobicContact CG1-CG2 3.82Å; V469-T474 VanDerWaalsContact CG1-OG1 3.26Å; V469-T474 WeakPolarHBondContact CG1-OG1 3.32Å; L470-T474 WeakPolarHBondContact O-CB 3.45Å; L470-T474 PolarHBondContact O-N 3.4Å; L470-T474 PolarHBondContact O-OG1 3.03Å; L471-T474 PolarHBondContact O-N 3.44Å; L471-T474 VanDerWaalsContact O-N 3.15Å; T474-V476 PolarHBondContact O-N 2.59Å
475	T	67.2	Low	64.6	Low	144 Å²	144	99.1 Å²	99.1	88%	0.883	56%	0.556	S	S	*	*			trans	-70.6	117.3	174.7	-38.6	0	0	0	0	111.1
476	V	66.7	Low	62.4	Low	72 Å²	72	99 Å²	99	44%	0.436	56%	0.564	S	S	.	*			trans	-100.2	116.6	175.7	-178.8	0	0	0	0	109.8	L471 T474 V478 I556	L471-V476 HydrophobicContact CD2-CG2 4.3Å; T474-V476 PolarHBondContact O-N 2.59Å; V476-V478 HydrophobicContact CG1-CG2 4.44Å; V476-I556 HydrophobicContact CB-CD1 4.42Å; V476-I556 HydrophobicContact CG2-CD1 3.96Å
477	K	65.3	Low	60	Low	185 Å²	185	101.6 Å²	101.6	80%	0.804	58%	0.577	S	S	*	*			trans	-98.4	113.6	172.8	-176.2	172.8	-178	172.3	0	110	P479	K477-P479 WeakPolarHBondContact O-CD 3.36Å
478	V	61	Low	57.4	Low	43 Å²	43	104.8 Å²	104.8	26%	0.261	59%	0.586	S	S	.	*			trans	-88.7	116.7	172.6	-179.2	0	0	0	0	108.8	V476 G480 K481	V476-V478 HydrophobicContact CG1-CG2 4.44Å; V478-G480 PolarHBondContact O-N 3.02Å; V478-K481 HydrophobicContact CB-CB 4.18Å; V478-K481 HydrophobicContact CB-CD 4.39Å; V478-K481 HydrophobicContact CB-CG 4.42Å; V478-K481 HydrophobicContact CG1-CB 4.27Å; V478-K481 HydrophobicContact CG1-CD 4.15Å; V478-K481 HydrophobicContact CG1-CG 4.05Å; V478-K481 PolarHBondContact O-N 3.09Å
479	P	51	Low	54.8	Low	123 Å²	123	107.5 Å²	107.5	80%	0.799	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	130	175.4	-21.8	33.7	0	0	0	110.8	K477	K477-P479 WeakPolarHBondContact O-CD 3.36Å
480	G	49.9	Very low	52.2	Low	91 Å²	91	112.2 Å²	112.2	94%	0.938	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.5	-22.3	-179.1	0	0	0	0	0	115.5	V478	V478-G480 PolarHBondContact O-N 3.02Å
481	K	51.5	Low	49.7	Very low	107 Å²	107	116.8 Å²	116.8	47%	0.465	65%	0.645	S	S	.	*	S	Bend	trans	-89.2	135.7	167	-69.7	-170.5	179.1	-178	0	109.8	V478 E553	V478-K481 HydrophobicContact CB-CB 4.18Å; V478-K481 HydrophobicContact CB-CD 4.39Å; V478-K481 HydrophobicContact CB-CG 4.42Å; V478-K481 HydrophobicContact CG1-CB 4.27Å; V478-K481 HydrophobicContact CG1-CD 4.15Å; V478-K481 HydrophobicContact CG1-CG 4.05Å; V478-K481 PolarHBondContact O-N 3.09Å; K481-E553 IonicContact NZ-OE1 2.75Å; K481-E553 PolarHBondContact NZ-OE1 3.31Å; K481-E553 IonicContact NZ-OE2 2.7Å; K481-E553 PolarHBondContact NZ-OE2 3.27Å
482	K	40.1	Very low	47.2	Very low	191 Å²	191	123.3 Å²	123.3	83%	0.83	68%	0.675	S	S	*	*			trans	-63.6	146.2	162.2	-67.8	178.1	-178.5	173.7	0	108.3	Q484	K482-Q484 PolarHBondContact O-N 2.88Å
483	P	38.1	Very low	45.1	Very low	113 Å²	113	126.6 Å²	126.6	73%	0.734	69%	0.691	S	S	*	*			trans	-62	113.8	173.7	-17.2	30.3	0	0	0	109.3	H485	P483-H485 PolarHBondContact O-N 3.04Å; P483-H485 VanDerWaalsContact O-N 3.08Å
484	Q	42.3	Very low	43.1	Very low	182 Å²	182	127.9 Å²	127.9	85%	0.85	70%	0.695	S	S	*	*			trans	-71.1	103.2	168	-75.1	178.6	-30.8	0	0	107	K482	K482-Q484 PolarHBondContact O-N 2.88Å
485	H	35.1	Very low	41.2	Very low	159 Å²	159	129.2 Å²	129.2	74%	0.736	70%	0.703	S	S	*	*			trans	-69.4	137.6	-177.3	-141.2	-87.8	0	0	0	109.5	P483 S487	P483-H485 PolarHBondContact O-N 3.04Å; P483-H485 VanDerWaalsContact O-N 3.08Å; H485-S487 PolarHBondContact ND1-OG 3.08Å; H485-S487 PolarHBondContact O-N 3.35Å
486	V	34.1	Very low	39.4	Very low	123 Å²	123	126.9 Å²	126.9	75%	0.745	69%	0.688	S	S	*	*			trans	-78.4	55.4	-179.8	-168.5	0	0	0	0	109.8
487	S	30.7	Very low	37.6	Very low	88 Å²	88	128.9 Å²	128.9	62%	0.615	70%	0.696	S	S	*	*			trans	-114.2	65.1	-171.3	-63.1	0	0	0	0	110.8	H485	H485-S487 PolarHBondContact ND1-OG 3.08Å; H485-S487 PolarHBondContact O-N 3.35Å
488	R	32.5	Very low	35.9	Very low	173 Å²	173	122.9 Å²	122.9	65%	0.653	69%	0.687	S	S	*	*	S	Bend	trans	-149.3	6.3	170.6	-134.7	175.9	-176.4	-156.1	-10.7	117.7	E25	E25-R488 IonicContact OE1-CZ 2.7Å; E25-R488 VanDerWaalsContact OE1-CZ 3.3Å; E25-R488 IonicContact OE1-NH1 3.16Å; E25-R488 PolarHBondContact OE1-NH1 2.92Å; E25-R488 VanDerWaalsContact OE1-NH1 3.1Å; E25-R488 IonicContact OE1-NH2 2.65Å; E25-R488 PolarHBondContact OE1-NH2 3.23Å; E25-R488 IonicContact OE2-CZ 3Å; E25-R488 IonicContact OE2-NH1 2.71Å; E25-R488 PolarHBondContact OE2-NH1 3.23Å; E25-R488 IonicContact OE2-NH2 2.6Å
489	L	31.3	Very low	34.5	Very low	124 Å²	124	127.7 Å²	127.7	65%	0.649	71%	0.711	S	S	*	*	S	Bend	trans	-109.7	141	157.2	-70.6	97	0	0	0	107.7
490	M	28.3	Very low	33.7	Very low	136 Å²	136	125.1 Å²	125.1	67%	0.67	70%	0.7	S	S	*	*	S	Bend	trans	80.6	50.8	-173	-48.3	-164.4	-176.9	0	0	118	L633	M490-L633 HydrophobicContact CE-CD2 3.83Å; M490-L633 HydrophobicContact SD-CD2 3.55Å; M490-L633 VanDerWaalsContact SD-CD2 3.55Å; M490-L633 HydrophobicContact SD-CG 4.28Å
491	M	27.1	Very low	32.7	Very low	194 Å²	194	125.3 Å²	125.3	96%	0.956	69%	0.685	S	S	*	*			trans	-141.7	72.6	151.9	-72.1	-160.7	87.6	0	0	112.6
492	Q	29	Very low	31.7	Very low	145 Å²	145	126.9 Å²	126.9	68%	0.678	70%	0.703	S	S	*	*			trans	-131.8	124.7	150.4	-69.8	-179.2	-22.7	0	0	103.7	E114	E114-Q492 PolarHBondContact OE2-NE2 3.24Å
493	S	27.6	Very low	31	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	70%	0.696	S	S	*	*	S	Bend	cis	-162.6	-169.5	23.2	52.9	0	0	0	0	110.9
494	V	28.3	Very low	30.5	Very low	123 Å²	123	124.5 Å²	124.5	75%	0.745	69%	0.694	S	S	*	*			trans	80.1	73.7	170.8	-159.8	0	0	0	0	116.9	V496	V494-V496 HydrophobicContact CG1-CG2 4.1Å
495	T	28.3	Very low	29.7	Very low	84 Å²	84	121.7 Å²	121.7	52%	0.515	68%	0.681	S	S	.	*			trans	-95.5	121.3	152	29.8	0	0	0	0	110.1	E223	E223-T495 VanDerWaalsContact CD-OG1 3.24Å; E223-T495 VanDerWaalsContact OE1-CB 3.3Å; E223-T495 WeakPolarHBondContact OE1-CB 3.21Å; E223-T495 PolarHBondContact OE1-OG1 2.77Å; E223-T495 PolarHBondContact OE2-OG1 3.35Å
496	V	29.5	Very low	29.3	Very low	95 Å²	95	120.3 Å²	120.3	58%	0.576	69%	0.689	S	S	*	*			trans	-134.5	127.9	175.9	171.2	0	0	0	0	107.9	V494	V494-V496 HydrophobicContact CG1-CG2 4.1Å
497	N	29.4	Very low	29	Very low	115 Å²	115	125 Å²	125	62%	0.615	69%	0.693	S	S	*	*			trans	78.8	144.9	172.9	-52.8	-26.3	0	0	0	119	P673	N497-P673 HydrophobicContact CB-CB 4.1Å; N497-P673 HydrophobicContact CB-CG 3.61Å; N497-P673 VanDerWaalsContact ND2-CD 3.33Å; N497-P673 WeakPolarHBondContact ND2-CD 3.24Å; N497-P673 WeakPolarHBondContact ND2-CG 3.37Å
498	G	29.3	Very low	28.9	Very low	58 Å²	58	128.8 Å²	128.8	60%	0.598	71%	0.706	S	S	*	*			trans	-156.9	124.1	159	0	0	0	0	0	108.6
499	D	31.8	Very low	28.5	Very low	144 Å²	144	126.4 Å²	126.4	77%	0.77	72%	0.716	S	S	*	*			trans	-121.3	165	152.6	-93	-45	0	0	0	107.8
500	A	33.4	Very low	28.3	Very low	70 Å²	70	123.5 Å²	123.5	58%	0.579	72%	0.716	S	S	*	*			trans	-64.9	159.6	-145.9	0	0	0	0	0	118.4
501	P	28.1	Very low	28.2	Very low	94 Å²	94	125.6 Å²	125.6	61%	0.61	73%	0.729	S	S	*	*			trans	-92.6	167.4	-176.6	38.4	-36	0	0	0	113.8	Y218	Y218-P501 HydrophobicContact CE2-CG 4.43Å
502	V	31.1	Very low	28.1	Very low	141 Å²	141	119.2 Å²	119.2	86%	0.855	71%	0.714	S	S	*	*			trans	-130.1	135.3	164.3	-156.5	0	0	0	0	109.7
503	S	25.9	Very low	28	Very low	98 Å²	98	120 Å²	120	69%	0.685	72%	0.722	S	S	*	*			trans	-64.2	160.8	170.7	41.6	0	0	0	0	110.9
504	F	26.9	Very low	27.9	Very low	155 Å²	155	121.4 Å²	121.4	68%	0.68	72%	0.72	S	S	*	*				-178.7	155.6	63.3	-178.3	-115.6	0	0	0	112
505	E	26.4	Very low	27.8	Very low	124 Å²	124	120 Å²	120	58%	0.579	72%	0.722	S	S	*	*			trans	40.7	106.4	165.9	-75.9	-172.8	171.2	0	0	122.3
506	S	27.3	Very low	27.6	Very low	129 Å²	129	125.1 Å²	125.1	90%	0.902	74%	0.737	S	S	*	*			trans	-90.6	110.5	149.4	-52.7	0	0	0	0	109.5
507	R	27.7	Very low	27.4	Very low	222 Å²	222	128.6 Å²	128.6	84%	0.838	75%	0.747	S	S	*	*			trans	-78.8	148.9	169.4	-94	-178	171.6	174.8	-1.5	112.2
508	D	27.1	Very low	27.2	Very low	167 Å²	167	128.1 Å²	128.1	89%	0.893	75%	0.748	S	S	*	*			trans	-58.7	147.7	-161.6	-96.9	-53.1	0	0	0	116.9
509	S	25.3	Very low	27	Very low	123 Å²	123	129.5 Å²	129.5	86%	0.86	76%	0.755	S	S	*	*			trans	-105.4	83.3	167.6	38.9	0	0	0	0	111.2
510	G	26.8	Very low	26.7	Very low	63 Å²	63	129.1 Å²	129.1	65%	0.649	76%	0.757	S	S	*	*			trans	-96.1	143.8	146.4	0	0	0	0	0	107.9
511	L	25.9	Very low	26.3	Very low	180 Å²	180	135.1 Å²	135.1	94%	0.942	77%	0.773	S	S	*	*			cis	-141.1	152.1	31.8	-59.1	158.7	0	0	0	108.1
512	G	25.1	Very low	26.2	Very low	61 Å²	61	133.9 Å²	133.9	63%	0.629	78%	0.777	S	S	*	*			cis	112.5	105.2	19.7	0	0	0	0	0	110
513	L	26.3	Very low	25.9	Very low	162 Å²	162	137 Å²	137	85%	0.848	78%	0.78	S	S	*	*			trans	-146.8	78.2	165.5	-90.8	-175.3	0	0	0	112.3
514	N	26.2	Very low	25.9	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	78%	0.782	S	S	*	*				57.8	117.8	125.2	-53.4	-5.5	0	0	0	120.4
515	A	26	Very low	25.8	Very low	94 Å²	94	134 Å²	134	78%	0.777	78%	0.783	S	S	*	*				-172.3	124.2	95.3	0	0	0	0	0	113.3
516	F	24.9	Very low	25.8	Very low	190 Å²	190	134 Å²	134	83%	0.833	79%	0.791	S	S	*	*			trans	63.4	110.3	162.9	-110.6	-120.2	0	0	0	115.8
517	E	24	Very low	25.8	Very low	168 Å²	168	133.3 Å²	133.3	79%	0.785	79%	0.787	S	S	*	*			cis	58.9	137.9	39.5	-126.4	170.5	-167.5	0	0	111.1
518	T	25.1	Very low	25.8	Very low	105 Å²	105	126.9 Å²	126.9	64%	0.644	78%	0.781	S	S	*	*			cis	-155.3	163.8	28.7	-45.1	0	0	0	0	110.2
519	A	25.1	Very low	25.9	Very low	88 Å²	88	126.5 Å²	126.5	73%	0.727	78%	0.779	S	S	*	*			trans	69.7	149.8	155.3	0	0	0	0	0	118.8
520	V	26.2	Very low	26.1	Very low	135 Å²	135	126.9 Å²	126.9	82%	0.818	78%	0.776	S	S	*	*			cis	-157.2	152.2	-9.7	114.8	0	0	0	0	109.4
521	H	25	Very low	26.3	Very low	196 Å²	196	132.2 Å²	132.2	91%	0.907	79%	0.789	S	S	*	*			trans	-67.1	139.3	167.9	-91.8	-93.5	0	0	0	111.2
522	G	26.2	Very low	26.5	Very low	69 Å²	69	127.7 Å²	127.7	71%	0.711	78%	0.778	S	S	*	*			trans	139.5	111.5	152.4	0	0	0	0	0	116.8
523	K	25.2	Very low	26.7	Very low	207 Å²	207	135.2 Å²	135.2	90%	0.9	79%	0.794	S	S	*	*			trans	20.2	123.6	139.3	-65.6	179.9	176.3	179.8	0	119.4
524	A	25.2	Very low	26.8	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	79%	0.793	S	S	*	*			trans	84.9	139.9	132.9	0	0	0	0	0	120.7
525	S	25.2	Very low	27.1	Very low	100 Å²	100	127.9 Å²	127.9	70%	0.699	79%	0.791	S	S	*	*			trans	67.8	110.4	150.9	43.8	0	0	0	0	120.8
526	T	26.3	Very low	27.5	Very low	124 Å²	124	133.3 Å²	133.3	76%	0.761	80%	0.797	S	S	*	*				76.2	132.7	127.2	56.7	0	0	0	0	122.3
527	S	27.8	Very low	28.4	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	79%	0.794	S	S	*	*			trans	64.9	135	149.6	48	0	0	0	0	119.6
528	A	27.4	Very low	29.4	Very low	87 Å²	87	127.9 Å²	127.9	72%	0.719	77%	0.768	S	S	*	*			trans	-54.1	149.1	165.9	0	0	0	0	0	111.8
529	D	29.1	Very low	30.2	Very low	158 Å²	158	129.9 Å²	129.9	85%	0.845	77%	0.774	S	S	*	*				-149.6	163.6	110.7	-113.7	-35.9	0	0	0	113.4
530	V	30	Very low	31.5	Very low	132 Å²	132	127 Å²	127	80%	0.8	75%	0.747	S	S	*	*			trans	-72.2	137.2	179.5	-89.2	0	0	0	0	111.8
531	D	30.6	Very low	33	Very low	174 Å²	174	128.7 Å²	128.7	93%	0.93	74%	0.743	S	S	*	*			trans	-134.6	138.5	157.2	-119.9	-30.8	0	0	0	111.8
532	A	29	Very low	34.8	Very low	85 Å²	85	127 Å²	127	70%	0.702	73%	0.733	S	S	*	*			trans	-115.5	113.9	-160.2	0	0	0	0	0	112.2
533	F	31	Very low	36.9	Very low	219 Å²	219	125.8 Å²	125.8	96%	0.961	72%	0.721	S	S	*	*			trans	-159.5	131.1	147.5	-132.2	-101.3	0	0	0	113.2
534	G	27	Very low	39.2	Very low	81 Å²	81	119.3 Å²	119.3	84%	0.835	69%	0.694	S	S	*	*	S	Bend	trans	61.1	59.4	147	0	0	0	0	0	120.5
535	G	32.5	Very low	41.5	Very low	69 Å²	69	120 Å²	120	71%	0.711	68%	0.677	S	S	*	*			trans	165.9	84.1	161.2	0	0	0	0	0	116.6	R537	G535-R537 PolarHBondContact O-N 3.46Å
536	K	34.6	Very low	44	Very low	208 Å²	208	118.3 Å²	118.3	90%	0.904	66%	0.661	S	S	*	*			trans	-57.1	98.3	175.4	-69.2	-178.4	178.3	179.1	0	111	P538	K536-P538 WeakPolarHBondContact O-CD 3.18Å
537	R	43.2	Very low	46.7	Very low	207 Å²	207	117.3 Å²	117.3	78%	0.781	65%	0.648	S	S	*	*			trans	-66	120	157.3	-77.4	-168.6	-173.7	-154	6	106.5	G535 L539	G535-R537 PolarHBondContact O-N 3.46Å; R537-L539 PolarHBondContact O-N 3.35Å
538	P	46.5	Very low	49.5	Very low	37 Å²	37	112.6 Å²	112.6	24%	0.24	61%	0.612	C	S	.	*			trans	-70.8	105.1	169.2	26.1	-24.7	0	0	0	107.2	Y427 K536 L540	Y427-P538 HydrophobicContact CD1-CB 3.91Å; Y427-P538 HydrophobicContact CD1-CG 3.59Å; Y427-P538 HydrophobicContact CD2-CB 3.43Å; Y427-P538 VanDerWaalsContact CD2-CB 3.43Å; Y427-P538 HydrophobicContact CD2-CG 3.59Å; Y427-P538 HydrophobicContact CE1-CB 3.91Å; Y427-P538 HydrophobicContact CE1-CG 4.08Å; Y427-P538 HydrophobicContact CE2-CB 3.43Å; Y427-P538 VanDerWaalsContact CE2-CB 3.43Å; Y427-P538 HydrophobicContact CE2-CG 4.08Å; Y427-P538 HydrophobicContact CG-CB 3.66Å; Y427-P538 HydrophobicContact CG-CG 3.3Å; K536-P538 WeakPolarHBondContact O-CD 3.18Å; P538-L540 PolarHBondContact O-N 3.32Å
539	L	40.7	Very low	52.2	Low	147 Å²	147	110.5 Å²	110.5	77%	0.77	59%	0.59	S	S	*	*			trans	-67.5	89.7	166.7	-65.9	176.4	0	0	0	107.4	R537 F541	R537-L539 PolarHBondContact O-N 3.35Å; L539-F541 PolarHBondContact O-N 3.43Å
540	L	52	Low	54.9	Low	27 Å²	27	107.3 Å²	107.3	14%	0.141	57%	0.57	C	S	.	*			trans	-53.8	127.2	151.5	-127.6	82.5	0	0	0	105.9	Y427 P538 K542 E544 R545	Y427-L540 HydrophobicContact CD2-CD1 4.22Å; P538-L540 PolarHBondContact O-N 3.32Å; L540-K542 PolarHBondContact O-N 2.99Å; L540-E544 HydrophobicContact CD2-CB 4.24Å; L540-E544 HydrophobicContact CD2-CG 4.07Å; L540-E544 HydrophobicContact CG-CB 4.37Å; L540-E544 HydrophobicContact CG-CG 4.36Å; L540-R545 HydrophobicContact CD2-CB 4.22Å; L540-R545 PolarHBondContact O-NH2 3.06Å
541	F	58.8	Low	57.5	Low	172 Å²	172	101.8 Å²	101.8	75%	0.754	54%	0.538	S	S	*	.			trans	-51.6	140.1	174.5	-79.2	-88.1	0	0	0	108.5	L539 G543 E544 R545	L539-F541 PolarHBondContact O-N 3.43Å; F541-G543 PolarHBondContact O-N 3.17Å; F541-E544 HydrophobicContact CB-CB 4.48Å; F541-E544 PolarHBondContact O-N 3.16Å; F541-R545 PolarHBondContact O-N 2.95Å; F541-R545 VanDerWaalsContact O-N 3.1Å
542	K	61.9	Low	60.1	Low	159 Å²	159	95.1 Å²	95.1	69%	0.691	50%	0.502	S	S	*	.	H	α-helix	trans	-53.7	-44.8	-170.8	-164.9	-179.5	175.5	-170.7	0	110.9	L540 R545 D546	L540-K542 PolarHBondContact O-N 2.99Å; K542-R545 WeakPolarHBondContact O-CB 3.34Å; K542-R545 PolarHBondContact O-N 3.15Å; K542-D546 PolarHBondContact O-N 3.25Å
543	G	70	Confident	62.7	Low	44 Å²	44	94 Å²	94	45%	0.454	48%	0.482	S	S	.	.	H	α-helix	trans	-56.1	-50.3	172.4	0	0	0	0	0	114.6	F541 R545 D546 E547	F541-G543 PolarHBondContact O-N 3.17Å; G543-R545 VanDerWaalsContact C-N 3.26Å; G543-R545 PolarHBondContact O-N 2.85Å; G543-D546 PolarHBondContact O-N 3.15Å; G543-D546 VanDerWaalsContact O-N 3.09Å; G543-E547 WeakPolarHBondContact O-CG 3.48Å; G543-E547 PolarHBondContact O-N 3.37Å
544	E	74.5	Confident	65.3	Low	71 Å²	71	91 Å²	91	33%	0.332	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-36.4	-179.9	-166.6	-174.1	-176.4	0	0	111.7	L540 F541 W548	L540-E544 HydrophobicContact CD2-CB 4.24Å; L540-E544 HydrophobicContact CD2-CG 4.07Å; L540-E544 HydrophobicContact CG-CB 4.37Å; L540-E544 HydrophobicContact CG-CG 4.36Å; F541-E544 HydrophobicContact CB-CB 4.48Å; F541-E544 PolarHBondContact O-N 3.16Å; E544-W548 PolarHBondContact O-N 3.44Å; E544-W548 VanDerWaalsContact O-N 3.14Å
545	R	73.8	Confident	68	Low	103 Å²	103	88.2 Å²	88.2	39%	0.389	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-48.9	174.2	-175.2	-168.5	-55.4	102.4	12.2	110.9	L540 F541 K542 G543 E547 W548 V549	L540-R545 HydrophobicContact CD2-CB 4.22Å; L540-R545 PolarHBondContact O-NH2 3.06Å; F541-R545 PolarHBondContact O-N 2.95Å; F541-R545 VanDerWaalsContact O-N 3.1Å; K542-R545 WeakPolarHBondContact O-CB 3.34Å; K542-R545 PolarHBondContact O-N 3.15Å; G543-R545 VanDerWaalsContact C-N 3.26Å; G543-R545 PolarHBondContact O-N 2.85Å; R545-E547 VanDerWaalsContact C-N 3.3Å; R545-E547 PolarHBondContact O-N 2.88Å; R545-W548 PolarHBondContact O-N 2.69Å; R545-W548 VanDerWaalsContact O-N 3.14Å; R545-V549 WeakPolarHBondContact O-CG2 3.27Å; R545-V549 PolarHBondContact O-N 2.67Å
546	D	76.9	Confident	70.3	Confident	66 Å²	66	86.8 Å²	86.8	35%	0.353	41%	0.406	S	S	.	.	H	α-helix	trans	-69	-33.1	-173.4	-59.5	-18.1	0	0	0	110.4	K542 G543 V549 Q550	K542-D546 PolarHBondContact O-N 3.25Å; G543-D546 PolarHBondContact O-N 3.15Å; G543-D546 VanDerWaalsContact O-N 3.09Å; D546-V549 PolarHBondContact O-N 3.18Å; D546-Q550 WeakPolarHBondContact O-CB 3.31Å; D546-Q550 WeakPolarHBondContact O-CG 3.49Å; D546-Q550 PolarHBondContact O-N 3.41Å
547	E	83.6	Confident	72.4	Confident	103 Å²	103	81.8 Å²	81.8	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-61.6	-44.4	167.3	-74	176.9	-147.7	0	0	113.5	K422 G543 R545 V549 Q550 A551	K422-E547 IonicContact NZ-OE2 2.76Å; K422-E547 PolarHBondContact NZ-OE2 3.02Å; G543-E547 WeakPolarHBondContact O-CG 3.48Å; G543-E547 PolarHBondContact O-N 3.37Å; R545-E547 VanDerWaalsContact C-N 3.3Å; R545-E547 PolarHBondContact O-N 2.88Å; E547-V549 VanDerWaalsContact C-N 3.34Å; E547-Q550 PolarHBondContact O-N 3.1Å; E547-A551 WeakPolarHBondContact O-CB 3.42Å; E547-A551 PolarHBondContact O-N 3.45Å
548	W	86.1	Confident	74	Confident	16 Å²	16	74.5 Å²	74.5	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-39.1	176.8	-90	107.7	0	0	0	111.7	K422 V426 V443 L445 E544 R545 I552	K422-W548 HydrophobicContact CB-CH2 4.32Å; K422-W548 HydrophobicContact CB-CZ3 4.21Å; K422-W548 HydrophobicContact CD-CD2 3.87Å; K422-W548 HydrophobicContact CD-CE3 4Å; K422-W548 HydrophobicContact CD-CG 4.27Å; K422-W548 HydrophobicContact CD-CZ2 4.48Å; K422-W548 HydrophobicContact CD-CZ3 4.36Å; K422-W548 HydrophobicContact CG-CD2 4.39Å; K422-W548 HydrophobicContact CG-CE3 4.35Å; K422-W548 HydrophobicContact CG-CH2 4.1Å; K422-W548 HydrophobicContact CG-CZ2 4.13Å; K422-W548 HydrophobicContact CG-CZ3 4.21Å; V426-W548 HydrophobicContact CG2-CD2 4.12Å; V426-W548 HydrophobicContact CG2-CH2 4.41Å; V426-W548 HydrophobicContact CG2-CZ2 3.85Å; V443-W548 HydrophobicContact CB-CH2 4.14Å; V443-W548 HydrophobicContact CG1-CH2 4.07Å; V443-W548 HydrophobicContact CG1-CZ3 4.1Å; L445-W548 HydrophobicContact CB-CZ3 4.29Å; E544-W548 PolarHBondContact O-N 3.44Å; E544-W548 VanDerWaalsContact O-N 3.14Å; R545-W548 PolarHBondContact O-N 2.69Å; R545-W548 VanDerWaalsContact O-N 3.14Å; W548-I552 VanDerWaalsContact O-CG1 3.3Å; W548-I552 WeakPolarHBondContact O-CG1 3.29Å; W548-I552 PolarHBondContact O-N 3.15Å; W548-I552 VanDerWaalsContact O-N 3.1Å
549	V	83.9	Confident	75.2	Confident	42 Å²	42	73.2 Å²	73.2	26%	0.255	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-50.9	174.5	172.2	0	0	0	0	110.3	R545 D546 E547 A551 I552 E553	R545-V549 WeakPolarHBondContact O-CG2 3.27Å; R545-V549 PolarHBondContact O-N 2.67Å; D546-V549 PolarHBondContact O-N 3.18Å; E547-V549 VanDerWaalsContact C-N 3.34Å; V549-A551 VanDerWaalsContact C-N 3.33Å; V549-A551 PolarHBondContact O-N 3.23Å; V549-I552 PolarHBondContact O-N 3.08Å; V549-E553 HydrophobicContact CG1-CG 4.23Å; V549-E553 WeakPolarHBondContact O-CB 3.48Å; V549-E553 WeakPolarHBondContact O-CG 3.23Å; V549-E553 PolarHBondContact O-N 2.75Å
550	Q	85.3	Confident	76.6	Confident	92 Å²	92	69.6 Å²	69.6	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-40.7	177.9	-74.5	-177.8	39.6	0	0	112.8	D546 E547 E553 R554	D546-Q550 WeakPolarHBondContact O-CB 3.31Å; D546-Q550 WeakPolarHBondContact O-CG 3.49Å; D546-Q550 PolarHBondContact O-N 3.41Å; E547-Q550 PolarHBondContact O-N 3.1Å; Q550-E553 PolarHBondContact O-N 3.47Å; Q550-R554 WeakPolarHBondContact O-CB 3.45Å; Q550-R554 WeakPolarHBondContact O-CG 3.44Å; Q550-R554 PolarHBondContact O-N 2.88Å
551	A	85.7	Confident	77.5	Confident	15 Å²	15	73.9 Å²	73.9	12%	0.124	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-41.5	178	0	0	0	0	0	112	K422 L445 E547 V549 Q555	K422-A551 HydrophobicContact CB-CB 4.33Å; K422-A551 HydrophobicContact CD-CB 3.77Å; L445-A551 HydrophobicContact CD2-CB 3.85Å; L445-A551 WeakPolarHBondContact CD2-O 3.32Å; E547-A551 WeakPolarHBondContact O-CB 3.42Å; E547-A551 PolarHBondContact O-N 3.45Å; V549-A551 VanDerWaalsContact C-N 3.33Å; V549-A551 PolarHBondContact O-N 3.23Å; A551-Q555 PolarHBondContact O-N 2.86Å; A551-Q555 VanDerWaalsContact O-N 3.07Å
552	I	84.2	Confident	77.6	Confident	34 Å²	34	67.8 Å²	67.8	17%	0.174	34%	0.343	C	S	.	.	H	α-helix	trans	-67.8	-44.6	176.2	-69.8	168.4	0	0	0	111	L445 L451 L471 W548 V549 R554 Q555 I556	L445-I552 HydrophobicContact CD2-CG1 4.16Å; L451-I552 HydrophobicContact CD2-CD1 4.5Å; L471-I552 HydrophobicContact CD1-CG2 4.09Å; L471-I552 HydrophobicContact CD2-CG2 4.17Å; W548-I552 VanDerWaalsContact O-CG1 3.3Å; W548-I552 WeakPolarHBondContact O-CG1 3.29Å; W548-I552 PolarHBondContact O-N 3.15Å; W548-I552 VanDerWaalsContact O-N 3.1Å; V549-I552 PolarHBondContact O-N 3.08Å; I552-R554 PolarHBondContact O-N 2.87Å; I552-Q555 PolarHBondContact O-N 3.42Å; I552-I556 HydrophobicContact CG2-CD1 3.8Å; I552-I556 HydrophobicContact CG2-CG1 4.49Å; I552-I556 WeakPolarHBondContact O-CG1 3.42Å; I552-I556 PolarHBondContact O-N 3.33Å
553	E	84.1	Confident	77.1	Confident	62 Å²	62	63 Å²	63	29%	0.29	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-44.3	176.1	-73.5	177.1	165.9	0	0	111	K481 V549 Q550 I556 L557	K481-E553 IonicContact NZ-OE1 2.75Å; K481-E553 PolarHBondContact NZ-OE1 3.31Å; K481-E553 IonicContact NZ-OE2 2.7Å; K481-E553 PolarHBondContact NZ-OE2 3.27Å; V549-E553 HydrophobicContact CG1-CG 4.23Å; V549-E553 WeakPolarHBondContact O-CB 3.48Å; V549-E553 WeakPolarHBondContact O-CG 3.23Å; V549-E553 PolarHBondContact O-N 2.75Å; Q550-E553 PolarHBondContact O-N 3.47Å; E553-I556 PolarHBondContact O-N 2.8Å; E553-L557 WeakPolarHBondContact O-CG 3.21Å; E553-L557 PolarHBondContact O-N 3.13Å
554	R	85.3	Confident	76.1	Confident	155 Å²	155	64.1 Å²	64.1	59%	0.585	32%	0.318	S	S	*	.	H	α-helix	trans	-61.7	-43	175.2	-72.8	174	-160.4	177	8.3	112.9	Q550 I552 L557 S558	Q550-R554 WeakPolarHBondContact O-CB 3.45Å; Q550-R554 WeakPolarHBondContact O-CG 3.44Å; Q550-R554 PolarHBondContact O-N 2.88Å; I552-R554 PolarHBondContact O-N 2.87Å; R554-L557 PolarHBondContact O-N 3.5Å; R554-S558 WeakPolarHBondContact O-CB 3.36Å; R554-S558 PolarHBondContact O-N 2.94Å
555	Q	84	Confident	74.7	Confident	24 Å²	24	64.7 Å²	64.7	11%	0.112	33%	0.327	C	S	.	.	H	α-helix	trans	-72	-31.9	177.4	-68.6	-41.2	108	0	0	113.3	L445 S447 L471 A551 I552 S558 C559	L445-Q555 HydrophobicContact CD1-CB 4.15Å; L445-Q555 HydrophobicContact CD1-CG 4.04Å; L445-Q555 HydrophobicContact CD2-CB 4.43Å; L445-Q555 HydrophobicContact CD2-CG 3.85Å; L445-Q555 HydrophobicContact CG-CG 3.94Å; S447-Q555 PolarHBondContact O-NE2 2.99Å; L471-Q555 HydrophobicContact CD1-CB 4.37Å; A551-Q555 PolarHBondContact O-N 2.86Å; A551-Q555 VanDerWaalsContact O-N 3.07Å; I552-Q555 PolarHBondContact O-N 3.42Å; Q555-S558 PolarHBondContact O-N 3.03Å; Q555-C559 WeakPolarHBondContact O-CB 3.41Å; Q555-C559 PolarHBondContact O-N 3.34Å; Q555-C559 PolarHBondContact O-SG 2.86Å
556	I	80.5	Confident	73.2	Confident	39 Å²	39	65.5 Å²	65.5	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-49.9	170.3	-70	163.9	0	0	0	109.9	L471 V476 I552 E553 S558 C559 L560	L471-I556 HydrophobicContact CB-CG1 3.87Å; L471-I556 HydrophobicContact CD1-CG1 4.4Å; V476-I556 HydrophobicContact CB-CD1 4.42Å; V476-I556 HydrophobicContact CG2-CD1 3.96Å; I552-I556 HydrophobicContact CG2-CD1 3.8Å; I552-I556 HydrophobicContact CG2-CG1 4.49Å; I552-I556 WeakPolarHBondContact O-CG1 3.42Å; I552-I556 PolarHBondContact O-N 3.33Å; E553-I556 PolarHBondContact O-N 2.8Å; I556-S558 PolarHBondContact O-N 3.06Å; I556-C559 PolarHBondContact O-N 2.75Å; I556-L560 HydrophobicContact CG2-CD1 3.87Å; I556-L560 HydrophobicContact CG2-CG 4.45Å; I556-L560 VanDerWaalsContact O-CG 3.3Å; I556-L560 WeakPolarHBondContact O-CG 3.47Å; I556-L560 PolarHBondContact O-N 3.49Å
557	L	79.8	Confident	71.6	Confident	103 Å²	103	69 Å²	69	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-59.8	-46	177.3	-70.9	167.7	0	0	0	111.9	E553 R554 C559 L560 L561	E553-L557 WeakPolarHBondContact O-CG 3.21Å; E553-L557 PolarHBondContact O-N 3.13Å; R554-L557 PolarHBondContact O-N 3.5Å; L557-C559 VanDerWaalsContact C-N 3.35Å; L557-C559 PolarHBondContact O-N 2.88Å; L557-L560 PolarHBondContact O-N 2.86Å; L557-L561 WeakPolarHBondContact O-CB 3.26Å; L557-L561 VanDerWaalsContact O-CG 3.27Å; L557-L561 WeakPolarHBondContact O-CG 3.34Å; L557-L561 PolarHBondContact O-N 2.81Å
558	S	77.1	Confident	69.6	Low	53 Å²	53	70.2 Å²	70.2	37%	0.371	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-42.3	176.9	-177.5	0	0	0	0	112.2	R554 Q555 I556 L561 S562	R554-S558 WeakPolarHBondContact O-CB 3.36Å; R554-S558 PolarHBondContact O-N 2.94Å; Q555-S558 PolarHBondContact O-N 3.03Å; I556-S558 PolarHBondContact O-N 3.06Å; S558-L561 PolarHBondContact O-N 3.29Å; S558-S562 WeakPolarHBondContact O-CB 3.48Å; S558-S562 PolarHBondContact O-N 2.99Å; S558-S562 PolarHBondContact O-OG 2.99Å
559	C	71	Confident	67.2	Low	10 Å²	10	77.1 Å²	77.1	7%	0.068	38%	0.384	C	S	.	.	H	α-helix	trans	-68.4	-35.2	175.5	-70.5	0	0	0	0	113	D448 G449 Q555 I556 L557 S562 N563	D448-C559 PolarHBondContact O-SG 3.45Å; D448-C559 VanDerWaalsContact O-SG 3.4Å; G449-C559 VanDerWaalsContact CA-SG 3.52Å; Q555-C559 WeakPolarHBondContact O-CB 3.41Å; Q555-C559 PolarHBondContact O-N 3.34Å; Q555-C559 PolarHBondContact O-SG 2.86Å; I556-C559 PolarHBondContact O-N 2.75Å; L557-C559 VanDerWaalsContact C-N 3.35Å; L557-C559 PolarHBondContact O-N 2.88Å; C559-S562 PolarHBondContact O-OG 3.02Å; C559-N563 VanDerWaalsContact O-CB 3.29Å; C559-N563 WeakPolarHBondContact O-CB 3.22Å; C559-N563 PolarHBondContact O-N 2.98Å; C559-N563 PolarHBondContact O-ND2 3.1Å
560	L	70.7	Confident	64.9	Low	72 Å²	72	84.3 Å²	84.3	38%	0.377	41%	0.412	S	S	.	.	H	α-helix	trans	-66.9	-43.3	175.4	-69.7	168.9	0	0	0	110.5	I556 L557 N563 E564	I556-L560 HydrophobicContact CG2-CD1 3.87Å; I556-L560 HydrophobicContact CG2-CG 4.45Å; I556-L560 VanDerWaalsContact O-CG 3.3Å; I556-L560 WeakPolarHBondContact O-CG 3.47Å; I556-L560 PolarHBondContact O-N 3.49Å; L557-L560 PolarHBondContact O-N 2.86Å; L560-N563 PolarHBondContact O-N 3.1Å; L560-E564 WeakPolarHBondContact O-CG 3.1Å; L560-E564 PolarHBondContact O-N 3.23Å
561	L	70.7	Confident	62.8	Low	117 Å²	117	88 Å²	88	61%	0.613	43%	0.426	S	S	*	.	H	α-helix	trans	-69.4	-35.7	177.4	-67.2	166.9	0	0	0	113.2	L557 S558 E564	L557-L561 WeakPolarHBondContact O-CB 3.26Å; L557-L561 VanDerWaalsContact O-CG 3.27Å; L557-L561 WeakPolarHBondContact O-CG 3.34Å; L557-L561 PolarHBondContact O-N 2.81Å; S558-L561 PolarHBondContact O-N 3.29Å; L561-E564 WeakPolarHBondContact O-CB 3.42Å; L561-E564 PolarHBondContact O-N 3.11Å
562	S	60.2	Low	60.9	Low	43 Å²	43	88.4 Å²	88.4	30%	0.301	43%	0.432	S	S	.	.	H	α-helix	trans	-75.1	-33.2	175.3	72.8	0	0	0	0	112.3	S558 C559 E564 T565 D566	S558-S562 WeakPolarHBondContact O-CB 3.48Å; S558-S562 PolarHBondContact O-N 2.99Å; S558-S562 PolarHBondContact O-OG 2.99Å; C559-S562 PolarHBondContact O-OG 3.02Å; S562-E564 PolarHBondContact O-N 3.39Å; S562-T565 PolarHBondContact O-N 3.17Å; S562-T565 VanDerWaalsContact O-N 3.14Å; S562-T565 PolarHBondContact O-OG1 2.83Å; S562-T565 VanDerWaalsContact O-OG1 3.11Å; S562-D566 WeakPolarHBondContact O-CB 3.39Å; S562-D566 PolarHBondContact O-N 2.93Å
563	N	52.4	Low	59.1	Low	58 Å²	58	96.1 Å²	96.1	31%	0.31	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-31.4	170.5	-86	-70.3	0	0	0	112.1	C559 L560 K567	C559-N563 VanDerWaalsContact O-CB 3.29Å; C559-N563 WeakPolarHBondContact O-CB 3.22Å; C559-N563 PolarHBondContact O-N 2.98Å; C559-N563 PolarHBondContact O-ND2 3.1Å; L560-N563 PolarHBondContact O-N 3.1Å; N563-K567 HydrophobicContact CB-CD 4.45Å; N563-K567 WeakPolarHBondContact O-CB 3.37Å; N563-K567 PolarHBondContact O-N 2.86Å; N563-K567 WeakPolarHBondContact OD1-CD 3.49Å; N563-K567 WeakPolarHBondContact OD1-CE 3.44Å; N563-K567 PolarHBondContact OD1-NZ 3.29Å
564	E	48.8	Very low	57.8	Low	68 Å²	68	99.8 Å²	99.8	32%	0.318	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-32.2	173.3	-73.2	-103.1	127.1	0	0	112.9	L560 L561 S562 R568	L560-E564 WeakPolarHBondContact O-CG 3.1Å; L560-E564 PolarHBondContact O-N 3.23Å; L561-E564 WeakPolarHBondContact O-CB 3.42Å; L561-E564 PolarHBondContact O-N 3.11Å; S562-E564 PolarHBondContact O-N 3.39Å; E564-R568 WeakPolarHBondContact O-CD 3.28Å; E564-R568 WeakPolarHBondContact O-CG 3.49Å; E564-R568 PolarHBondContact O-NH1 2.82Å; E564-R568 IonicContact OE1-CZ 3.64Å; E564-R568 IonicContact OE1-NH1 3.85Å; E564-R568 IonicContact OE1-NH2 3.58Å; E564-R568 PolarHBondContact OE1-NH2 2.97Å; E564-R568 IonicContact OE2-CZ 3.54Å; E564-R568 IonicContact OE2-NH1 2.9Å; E564-R568 PolarHBondContact OE2-NH1 2.61Å; E564-R568 IonicContact OE2-NH2 3.89Å; E564-R568 PolarHBondContact OE2-NH2 3.31Å
565	T	44.7	Very low	56.5	Low	83 Å²	83	94.6 Å²	94.6	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-92.4	-46.8	-178.3	50.3	0	0	0	0	113	S562	S562-T565 PolarHBondContact O-N 3.17Å; S562-T565 VanDerWaalsContact O-N 3.14Å; S562-T565 PolarHBondContact O-OG1 2.83Å; S562-T565 VanDerWaalsContact O-OG1 3.11Å
566	D	42.6	Very low	55.7	Low	120 Å²	120	101.6 Å²	101.6	64%	0.642	49%	0.489	S	S	*	.	H	α-helix	trans	-78.9	-31.1	-170.4	-65.2	-33.4	0	0	0	113.2	S562	S562-D566 WeakPolarHBondContact O-CB 3.39Å; S562-D566 PolarHBondContact O-N 2.93Å
567	K	43.7	Very low	55.4	Low	139 Å²	139	104 Å²	104	60%	0.604	50%	0.502	S	S	*	.	H	α-helix	trans	-77.9	-28.4	176.5	-68	-178.9	169	166.8	0	113.1	N563 H569 G572	N563-K567 HydrophobicContact CB-CD 4.45Å; N563-K567 WeakPolarHBondContact O-CB 3.37Å; N563-K567 PolarHBondContact O-N 2.86Å; N563-K567 WeakPolarHBondContact OD1-CD 3.49Å; N563-K567 WeakPolarHBondContact OD1-CE 3.44Å; N563-K567 PolarHBondContact OD1-NZ 3.29Å; K567-H569 VanDerWaalsContact C-N 3.31Å; K567-H569 PolarHBondContact O-N 2.88Å; K567-G572 PolarHBondContact O-N 3.27Å
568	R	40.2	Very low	55.3	Low	130 Å²	130	101.3 Å²	101.3	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-70	-25.6	179.5	-72.6	-172.9	-176.2	137	0.4	112.9	E564	E564-R568 WeakPolarHBondContact O-CD 3.28Å; E564-R568 WeakPolarHBondContact O-CG 3.49Å; E564-R568 PolarHBondContact O-NH1 2.82Å; E564-R568 IonicContact OE1-CZ 3.64Å; E564-R568 IonicContact OE1-NH1 3.85Å; E564-R568 IonicContact OE1-NH2 3.58Å; E564-R568 PolarHBondContact OE1-NH2 2.97Å; E564-R568 IonicContact OE2-CZ 3.54Å; E564-R568 IonicContact OE2-NH1 2.9Å; E564-R568 PolarHBondContact OE2-NH1 2.61Å; E564-R568 IonicContact OE2-NH2 3.89Å; E564-R568 PolarHBondContact OE2-NH2 3.31Å
569	H	36.1	Very low	55.2	Low	161 Å²	161	99.2 Å²	99.2	75%	0.745	47%	0.473	S	S	*	.	H	α-helix	trans	-93.2	-15.1	-169	-99.2	-75.2	0	0	0	117.9	K567	K567-H569 VanDerWaalsContact C-N 3.31Å; K567-H569 PolarHBondContact O-N 2.88Å
570	F	36.7	Very low	55.7	Low	192 Å²	192	102 Å²	102	84%	0.842	49%	0.49	S	S	*	.	H	α-helix	trans	-133.2	-14.9	179.8	-136.9	-93.6	0	0	0	117.1
571	K	41.4	Very low	56.3	Low	169 Å²	169	100.6 Å²	100.6	74%	0.735	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-25.2	171.2	-74.2	-169.5	172.9	-170.2	0	114.3	R573 S575	K571-R573 PolarHBondContact O-N 2.95Å; K571-S575 PolarHBondContact O-N 2.84Å
572	G	44	Very low	57	Low	24 Å²	24	95 Å²	95	25%	0.247	45%	0.454	C	S	.	.	H	α-helix	trans	-64.3	-20.9	-179.4	0	0	0	0	0	115.3	K567 R576	K567-G572 PolarHBondContact O-N 3.27Å; G572-R576 WeakPolarHBondContact O-CB 3.42Å; G572-R576 WeakPolarHBondContact O-CG 3.3Å; G572-R576 PolarHBondContact O-N 2.74Å
573	R	47.6	Very low	58.3	Low	197 Å²	197	97.1 Å²	97.1	74%	0.743	46%	0.456	S	S	*	.	H	α-helix	trans	-73	-53.8	179.8	-163.8	175.9	-172.7	173.9	3.7	111.9	K571 S575 R576 D577	K571-R573 PolarHBondContact O-N 2.95Å; R573-S575 VanDerWaalsContact C-N 3.32Å; R573-S575 PolarHBondContact O-N 2.81Å; R573-R576 PolarHBondContact O-N 3.36Å; R573-D577 PolarHBondContact O-N 3.25Å
574	E	55.8	Low	60	Low	139 Å²	139	101.6 Å²	101.6	65%	0.65	47%	0.473	S	S	*	.	H	α-helix	trans	-56.9	-45.5	176.5	-63.7	-177.3	151.4	0	0	111.3	R576 D577 L578	E574-R576 PolarHBondContact O-N 3.11Å; E574-D577 PolarHBondContact O-N 3.43Å; E574-L578 WeakPolarHBondContact O-CB 3.48Å; E574-L578 VanDerWaalsContact O-CG 3.23Å; E574-L578 WeakPolarHBondContact O-CG 3.44Å; E574-L578 PolarHBondContact O-N 3.01Å
575	S	59.6	Low	62	Low	45 Å²	45	98.8 Å²	98.8	32%	0.315	46%	0.461	S	S	.	.	H	α-helix	trans	-62	-40	179	-174.5	0	0	0	0	112.9	K571 R573 L578 I579	K571-S575 PolarHBondContact O-N 2.84Å; R573-S575 VanDerWaalsContact C-N 3.32Å; R573-S575 PolarHBondContact O-N 2.81Å; S575-L578 PolarHBondContact O-N 3Å; S575-I579 WeakPolarHBondContact O-CD1 3.46Å; S575-I579 VanDerWaalsContact O-CG1 3.26Å; S575-I579 WeakPolarHBondContact O-CG1 3.49Å; S575-I579 PolarHBondContact O-N 2.92Å
576	R	66.7	Low	64.4	Low	172 Å²	172	98.5 Å²	98.5	65%	0.649	46%	0.461	S	S	*	.	H	α-helix	trans	-67.4	-38.9	174.4	-80	179.4	169.9	-175.7	-3.8	112.9	G572 R573 E574 L578 I579 T580	G572-R576 WeakPolarHBondContact O-CB 3.42Å; G572-R576 WeakPolarHBondContact O-CG 3.3Å; G572-R576 PolarHBondContact O-N 2.74Å; R573-R576 PolarHBondContact O-N 3.36Å; E574-R576 PolarHBondContact O-N 3.11Å; R576-L578 VanDerWaalsContact C-N 3.33Å; R576-I579 PolarHBondContact O-N 3.07Å; R576-T580 VanDerWaalsContact O-CB 3.31Å; R576-T580 WeakPolarHBondContact O-CB 2.97Å; R576-T580 PolarHBondContact O-N 2.9Å; R576-T580 PolarHBondContact O-OG1 3.27Å
577	D	74	Confident	66.8	Low	90 Å²	90	94 Å²	94	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-68.1	-34.8	177.5	-67.4	-26.9	0	0	0	111.2	R573 E574 T581	R573-D577 PolarHBondContact O-N 3.25Å; E574-D577 PolarHBondContact O-N 3.43Å; D577-T581 WeakPolarHBondContact O-CB 3.46Å; D577-T581 PolarHBondContact O-N 3.12Å; D577-T581 PolarHBondContact O-OG1 3.35Å
578	L	76.8	Confident	69.2	Low	46 Å²	46	87.4 Å²	87.4	24%	0.241	41%	0.414	C	S	.	.	H	α-helix	trans	-66.3	-48.2	172.1	-69.7	166.5	0	0	0	112.3	E574 S575 R576 T580 T581 L582 L638 V641	E574-L578 WeakPolarHBondContact O-CB 3.48Å; E574-L578 VanDerWaalsContact O-CG 3.23Å; E574-L578 WeakPolarHBondContact O-CG 3.44Å; E574-L578 PolarHBondContact O-N 3.01Å; S575-L578 PolarHBondContact O-N 3Å; R576-L578 VanDerWaalsContact C-N 3.33Å; L578-T580 VanDerWaalsContact C-N 3.29Å; L578-T580 PolarHBondContact O-N 2.92Å; L578-T581 CarbonylContact O-C 3.6Å; L578-T581 WeakPolarHBondContact O-CA 3.42Å; L578-T581 WeakPolarHBondContact O-CB 3.3Å; L578-T581 PolarHBondContact O-N 3.13Å; L578-L582 PolarHBondContact O-N 3.07Å; L578-L638 HydrophobicContact CD1-CD2 3.64Å; L578-L638 HydrophobicContact CD2-CD2 3.59Å; L578-L638 HydrophobicContact CG-CD2 4.29Å; L578-V641 HydrophobicContact CD2-CG1 4.27Å
579	I	76.3	Confident	71.7	Confident	9 Å²	9	83.8 Å²	83.8	5%	0.046	41%	0.409	C	S	.	.	H	α-helix	trans	-62.1	-39	176.2	-65	158.3	0	0	0	110.9	S575 R576 T581 L582 R583 L631	S575-I579 WeakPolarHBondContact O-CD1 3.46Å; S575-I579 VanDerWaalsContact O-CG1 3.26Å; S575-I579 WeakPolarHBondContact O-CG1 3.49Å; S575-I579 PolarHBondContact O-N 2.92Å; R576-I579 PolarHBondContact O-N 3.07Å; I579-T581 PolarHBondContact O-N 2.97Å; I579-L582 PolarHBondContact O-N 3.25Å; I579-R583 PolarHBondContact O-N 3.13Å; I579-L631 WeakPolarHBondContact CD1-O 3.46Å; I579-L631 HydrophobicContact CG2-CB 4.23Å; I579-L631 HydrophobicContact CG2-CD1 4.39Å
580	T	81.3	Confident	74.4	Confident	69 Å²	69	81.5 Å²	81.5	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-28	174	-56.7	0	0	0	0	111.9	R576 L578 K584	R576-T580 VanDerWaalsContact O-CB 3.31Å; R576-T580 WeakPolarHBondContact O-CB 2.97Å; R576-T580 PolarHBondContact O-N 2.9Å; R576-T580 PolarHBondContact O-OG1 3.27Å; L578-T580 VanDerWaalsContact C-N 3.29Å; L578-T580 PolarHBondContact O-N 2.92Å; T580-K584 WeakPolarHBondContact O-CG 3.47Å
581	T	82.3	Confident	77.2	Confident	41 Å²	41	72.6 Å²	72.6	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-80.2	-37.8	176	-59.3	0	0	0	0	112	D577 L578 I579 R583 K584	D577-T581 WeakPolarHBondContact O-CB 3.46Å; D577-T581 PolarHBondContact O-N 3.12Å; D577-T581 PolarHBondContact O-OG1 3.35Å; L578-T581 CarbonylContact O-C 3.6Å; L578-T581 WeakPolarHBondContact O-CA 3.42Å; L578-T581 WeakPolarHBondContact O-CB 3.3Å; L578-T581 PolarHBondContact O-N 3.13Å; I579-T581 PolarHBondContact O-N 2.97Å; T581-R583 VanDerWaalsContact C-N 3.3Å; T581-R583 PolarHBondContact O-N 3.46Å; T581-K584 WeakPolarHBondContact O-CB 3.47Å; T581-K584 PolarHBondContact O-N 2.84Å
582	L	87	Confident	79.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-55.8	-42.5	171.4	-77.9	174.8	0	0	0	112.8	L578 I579 K584 A585 N588 L631 V641 L644 Q645	L578-L582 PolarHBondContact O-N 3.07Å; I579-L582 PolarHBondContact O-N 3.25Å; L582-K584 PolarHBondContact O-N 3.25Å; L582-A585 PolarHBondContact O-N 3.12Å; L582-N588 WeakPolarHBondContact O-CB 3.23Å; L582-N588 PolarHBondContact O-ND2 2.88Å; L582-L631 HydrophobicContact CD1-CD2 3.92Å; L582-V641 HydrophobicContact CD1-CG1 4.43Å; L582-V641 HydrophobicContact CD1-CG2 4.34Å; L582-V641 HydrophobicContact CD2-CB 4.45Å; L582-V641 HydrophobicContact CD2-CG1 3.87Å; L582-V641 WeakPolarHBondContact CD2-O 3.28Å; L582-V641 HydrophobicContact CG-CG1 3.95Å; L582-L644 HydrophobicContact CD2-CB 3.6Å; L582-Q645 HydrophobicContact CD2-CB 4.18Å
583	R	86.3	Confident	82.1	Confident	87 Å²	87	63.6 Å²	63.6	33%	0.328	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.4	178.5	-70.6	179.3	178.7	145.6	3.3	114.2	I579 T581	I579-R583 PolarHBondContact O-N 3.13Å; T581-R583 VanDerWaalsContact C-N 3.3Å; T581-R583 PolarHBondContact O-N 3.46Å
584	K	87.7	Confident	84.2	Confident	153 Å²	153	54.7 Å²	54.7	67%	0.665	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-12	176.9	-64.6	171.5	-172.4	168.6	0	113.9	T580 T581 L582	T580-K584 WeakPolarHBondContact O-CG 3.47Å; T581-K584 WeakPolarHBondContact O-CB 3.47Å; T581-K584 PolarHBondContact O-N 2.84Å; L582-K584 PolarHBondContact O-N 3.25Å
585	A	91.2	Very high	85.8	Confident	9 Å²	9	50 Å²	50	7%	0.074	27%	0.27	C	S	.	.	S	Bend	trans	-67.6	151.8	177.4	0	0	0	0	0	110.9	L582 G587 N588 Q645	L582-A585 PolarHBondContact O-N 3.12Å; A585-G587 PolarHBondContact O-N 2.76Å; A585-N588 HydrophobicContact CB-CB 4.43Å; A585-N588 WeakPolarHBondContact O-CB 3.44Å; A585-N588 PolarHBondContact O-N 3.3Å; A585-Q645 HydrophobicContact CB-CG 4.46Å; A585-Q645 WeakPolarHBondContact CB-O 3.14Å
586	P	94.7	Very high	87.2	Confident	77 Å²	77	50.3 Å²	50.3	50%	0.5	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	131.3	-176.4	-26.7	36.3	0	0	0	112.7	N588 G648 N649 E650	P586-N588 PolarHBondContact O-N 2.96Å; P586-G648 CarbonylContact O-C 3.42Å; P586-N649 PolarHBondContact O-N 3.02Å; P586-N649 VanDerWaalsContact O-N 3.15Å; P586-E650 HydrophobicContact CB-CB 3.77Å; P586-E650 HydrophobicContact CB-CG 4.43Å; P586-E650 VanDerWaalsContact CB-OE2 3.32Å; P586-E650 WeakPolarHBondContact CB-OE2 3.36Å; P586-E650 PolarHBondContact O-N 2.7Å; P586-E650 VanDerWaalsContact O-N 3.12Å
587	G	92.9	Very high	88.4	Confident	25 Å²	25	45.6 Å²	45.6	26%	0.258	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-15.2	-175.7	0	0	0	0	0	117.1	A585 S589 F590	A585-G587 PolarHBondContact O-N 2.76Å; G587-S589 PolarHBondContact O-N 3.47Å; G587-F590 PolarHBondContact O-N 3.07Å; G587-F590 VanDerWaalsContact O-N 3.09Å; G587-F590 VanDerWaalsContact O-O 3.13Å
588	N	94.9	Very high	89	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.9	-172.7	-83.2	6.3	0	0	0	115.2	L582 A585 P586 F590 P599 L609 G648 N649	L582-N588 WeakPolarHBondContact O-CB 3.23Å; L582-N588 PolarHBondContact O-ND2 2.88Å; A585-N588 HydrophobicContact CB-CB 4.43Å; A585-N588 WeakPolarHBondContact O-CB 3.44Å; A585-N588 PolarHBondContact O-N 3.3Å; P586-N588 PolarHBondContact O-N 2.96Å; N588-F590 PolarHBondContact O-N 2.91Å; N588-P599 WeakPolarHBondContact O-CG 3.37Å; N588-L609 HydrophobicContact CB-CD1 3.75Å; N588-L609 HydrophobicContact CB-CG 4.4Å; N588-G648 WeakPolarHBondContact OD1-CA 3.49Å; N588-N649 VanDerWaalsContact OD1-CG 3.28Å; N588-N649 PolarHBondContact OD1-N 3.41Å; N588-N649 PolarHBondContact OD1-OD1 2.82Å
589	S	91.7	Very high	89.8	Confident	55 Å²	55	44.5 Å²	44.5	39%	0.385	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.2	169.3	47.8	0	0	0	0	113.6	G587 P597 N598	G587-S589 PolarHBondContact O-N 3.47Å; S589-P597 CarbonylContact O-C 3.52Å; S589-P597 WeakPolarHBondContact O-CA 3.47Å; S589-N598 PolarHBondContact O-N 3.47Å
590	F	93.8	Very high	90.6	Very high	113 Å²	113	46 Å²	46	50%	0.496	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-132.9	144.4	-179.6	-56.9	-79.9	0	0	0	111.4	G587 N588 A592 G595 C596 P597 N649	G587-F590 PolarHBondContact O-N 3.07Å; G587-F590 VanDerWaalsContact O-N 3.09Å; G587-F590 VanDerWaalsContact O-O 3.13Å; N588-F590 PolarHBondContact O-N 2.91Å; F590-A592 PolarHBondContact O-N 3.35Å; F590-G595 WeakPolarHBondContact CD1-O 3.48Å; F590-C596 CarbonylContact C-O 3.56Å; F590-C596 WeakPolarHBondContact CA-O 3.46Å; F590-P597 HydrophobicContact CD1-CB 4.07Å; F590-P597 HydrophobicContact CE1-CB 4.11Å; F590-N649 PolarHBondContact O-ND2 2.91Å
591	C	94.8	Very high	91.4	Very high	4 Å²	4	44 Å²	44	3%	0.027	25%	0.25	C	S	.	.			trans	-54.8	128.9	174.9	172.7	0	0	0	0	111.3	D593 G595 C596 P599 C611	C591-D593 PolarHBondContact O-N 3.32Å; C591-D593 VanDerWaalsContact O-N 3.1Å; C591-G595 WeakPolarHBondContact O-CA 3.38Å; C591-G595 PolarHBondContact O-N 3.12Å; C591-C596 HydrophobicContact CB-CB 4.01Å; C591-C596 WeakPolarHBondContact CB-O 3.45Å; C591-C596 PolarHBondContact N-O 3Å; C591-P599 HydrophobicContact CB-CB 4.41Å; C591-C611 HydrophobicContact CB-CB 4.1Å; C591-C611 PolarHBondContact SG-N 2.89Å
592	A	95	Very high	92	Very high	3 Å²	3	42 Å²	42	3%	0.025	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.6	-176.2	0	0	0	0	0	114	F590 A608 L609 I610 N649 N653 K686	F590-A592 PolarHBondContact O-N 3.35Å; A592-A608 HydrophobicContact CB-CB 3.86Å; A592-L609 PolarHBondContact N-O 3.49Å; A592-I610 HydrophobicContact CB-CG2 4.21Å; A592-N649 HydrophobicContact CB-CB 4.36Å; A592-N649 PolarHBondContact N-ND2 3.32Å; A592-N653 PolarHBondContact O-ND2 2.85Å; A592-N653 PolarHBondContact O-OD1 3.14Å; A592-K686 PolarHBondContact O-NZ 2.86Å; A592-K686 VanDerWaalsContact O-NZ 3.1Å
593	D	94.3	Very high	92.5	Very high	2 Å²	2	42 Å²	42	1%	0.011	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-29.4	-170.3	-43	-51.5	0	0	0	114.2	C591 I610 H618 W682 I683 K686 Y687	C591-D593 PolarHBondContact O-N 3.32Å; C591-D593 VanDerWaalsContact O-N 3.1Å; D593-I610 WeakPolarHBondContact OD2-CG2 3.38Å; D593-H618 IonicContact OD2-CD2 2.8Å; D593-H618 IonicContact OD2-NE2 2.81Å; D593-H618 PolarHBondContact OD2-NE2 3.38Å; D593-W682 PolarHBondContact O-NE1 3.12Å; D593-I683 HydrophobicContact CB-CD1 4.11Å; D593-I683 HydrophobicContact CB-CG1 3.87Å; D593-K686 IonicContact OD1-NZ 3.69Å; D593-K686 PolarHBondContact OD1-NZ 3.27Å; D593-Y687 VanDerWaalsContact OD1-CE2 3.3Å; D593-Y687 WeakPolarHBondContact OD1-CE2 3.47Å; D593-Y687 PolarHBondContact OD1-OH 3.04Å
594	C	90.4	Very high	92.9	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.061	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	8.8	-171.5	86.9	0	0	0	0	114.5	C596 C614 K679	C594-C596 PolarHBondContact O-N 2.79Å; C594-C596 VanDerWaalsContact SG-CB 3.6Å; C594-C614 VanDerWaalsContact SG-SG 3.69Å; C594-K679 HydrophobicContact CB-CD 4.47Å
595	G	89.9	Confident	93.1	Very high	42 Å²	42	31.4 Å²	31.4	43%	0.433	20%	0.195	S	C	.	.			trans	64.8	9.8	175.9	0	0	0	0	0	116.1	F590 C591	F590-G595 WeakPolarHBondContact CD1-O 3.48Å; C591-G595 WeakPolarHBondContact O-CA 3.38Å; C591-G595 PolarHBondContact O-N 3.12Å
596	C	89.5	Confident	93.3	Very high	50 Å²	50	31.2 Å²	31.2	34%	0.338	19%	0.193	S	C	.	.			trans	-64.5	128.6	177.9	-177.9	0	0	0	0	110.3	F590 C591 C594 C611	F590-C596 CarbonylContact C-O 3.56Å; F590-C596 WeakPolarHBondContact CA-O 3.46Å; C591-C596 HydrophobicContact CB-CB 4.01Å; C591-C596 WeakPolarHBondContact CB-O 3.45Å; C591-C596 PolarHBondContact N-O 3Å; C594-C596 PolarHBondContact O-N 2.79Å; C594-C596 VanDerWaalsContact SG-CB 3.6Å; C596-C611 HydrophobicContact CB-CB 4.09Å
597	P	90.6	Very high	93.3	Very high	73 Å²	73	27.5 Å²	27.5	47%	0.474	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-67.4	154	-174.6	28.2	-36.2	0	0	0	112.7	S589 F590	S589-P597 CarbonylContact O-C 3.52Å; S589-P597 WeakPolarHBondContact O-CA 3.47Å; F590-P597 HydrophobicContact CD1-CB 4.07Å; F590-P597 HydrophobicContact CE1-CB 4.11Å
598	N	88.5	Confident	93.4	Very high	114 Å²	114	26.3 Å²	26.3	61%	0.61	16%	0.157	S	C	*	.	S	Bend	trans	54.2	58.3	175.7	-55.5	-47.6	0	0	0	114.2	S589 D600	S589-N598 PolarHBondContact O-N 3.47Å; N598-D600 PolarHBondContact O-N 2.97Å
599	P	93.7	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.157	C	C	.	.			trans	-55.7	134.4	176	25.4	-34.7	0	0	0	112.2	N588 C591 L609 I610 L631	N588-P599 WeakPolarHBondContact O-CG 3.37Å; C591-P599 HydrophobicContact CB-CB 4.41Å; P599-L609 HydrophobicContact CB-CB 3.88Å; P599-L609 HydrophobicContact CG-CB 3.61Å; P599-L609 HydrophobicContact CG-CD1 4.36Å; P599-I610 VanDerWaalsContact CB-C 3.44Å; P599-I610 WeakPolarHBondContact CB-O 3.49Å; P599-L631 WeakPolarHBondContact O-CD1 3.3Å
600	D	93.1	Very high	93.7	Very high	41 Å²	41	23.7 Å²	23.7	22%	0.219	14%	0.138	C	C	.	.			trans	-110.8	-2	-172.9	61.4	-46.4	0	0	0	113.4	N598 I610 I612 L631	N598-D600 PolarHBondContact O-N 2.97Å; D600-I610 PolarHBondContact N-O 3.3Å; D600-I612 PolarHBondContact OD1-N 3.37Å; D600-L631 WeakPolarHBondContact O-CB 3.35Å; D600-L631 PolarHBondContact O-N 3.3Å
601	W	96.5	Very high	93.8	Very high	26 Å²	26	18.6 Å²	18.6	10%	0.098	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	165.8	175	-59.2	74.2	0	0	0	110.5	L609 I610 I612 V628 R629 S630 L633	W601-L609 CarbonylContact O-C 3.59Å; W601-L609 VanDerWaalsContact O-CA 3.32Å; W601-L609 WeakPolarHBondContact O-CA 3.38Å; W601-I610 CarbonylContact C-O 3.39Å; W601-I610 WeakPolarHBondContact CA-O 3.44Å; W601-I610 HydrophobicContact CB-CG1 3.94Å; W601-I610 WeakPolarHBondContact CB-O 3.3Å; W601-I610 PolarHBondContact N-O 2.89Å; W601-I610 PolarHBondContact O-N 3.03Å; W601-I610 VanDerWaalsContact O-O 3.04Å; W601-I612 HydrophobicContact CZ2-CG1 4.45Å; W601-V628 HydrophobicContact CE3-CG1 3.89Å; W601-R629 CarbonylContact C-O 3.55Å; W601-R629 VanDerWaalsContact CA-O 3.3Å; W601-R629 WeakPolarHBondContact CA-O 3.27Å; W601-R629 WeakPolarHBondContact CB-O 3.36Å; W601-R629 VanDerWaalsContact CE3-C 3.49Å; W601-S630 VanDerWaalsContact CE3-CA 3.46Å; W601-S630 VanDerWaalsContact CZ3-CB 3.4Å; W601-L633 HydrophobicContact CH2-CD1 4.04Å; W601-L633 HydrophobicContact CZ2-CD1 4.27Å
602	A	96.6	Very high	93.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149	172.9	0	0	0	0	0	111.4	A608 L609 V628 R629 W636 L644	A602-A608 CarbonylContact C-O 3.23Å; A602-A608 WeakPolarHBondContact CA-O 3.38Å; A602-A608 WeakPolarHBondContact CB-O 3.3Å; A602-L609 HydrophobicContact CB-CD2 3.63Å; A602-V628 CarbonylContact O-C 3.59Å; A602-V628 VanDerWaalsContact O-CA 3.31Å; A602-V628 WeakPolarHBondContact O-CA 3.23Å; A602-R629 PolarHBondContact N-O 2.88Å; A602-R629 PolarHBondContact O-N 3.43Å; A602-W636 HydrophobicContact CB-CH2 3.87Å; A602-W636 HydrophobicContact CB-CZ2 4.44Å; A602-L644 HydrophobicContact CB-CD1 3.82Å; A602-L644 HydrophobicContact CB-CD2 4.45Å
603	S	96.9	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.7	161.1	179.5	0	0	0	0	108.9	L606 G607 A608 S626	S603-L606 PolarHBondContact O-N 2.91Å; S603-L606 WeakPolarHBondContact OG-CD1 3.5Å; S603-L606 WeakPolarHBondContact OG-CG 3.41Å; S603-G607 PolarHBondContact O-N 3.34Å; S603-G607 VanDerWaalsContact O-N 3.14Å; S603-A608 PolarHBondContact N-O 2.8Å; S603-A608 PolarHBondContact O-N 2.9Å; S603-S626 WeakPolarHBondContact CB-OG 3.38Å; S603-S626 PolarHBondContact OG-OG 2.9Å
604	L	93.7	Very high	93.6	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-57.2	-59.8	-171.1	-63.2	179.9	0	0	0	111.7	L606 G607 K627 R629 W636 L644 W761	L604-L606 PolarHBondContact O-N 3.41Å; L604-L606 VanDerWaalsContact O-N 3.13Å; L604-G607 PolarHBondContact O-N 3.46Å; L604-K627 HydrophobicContact CB-CB 4.35Å; L604-K627 WeakPolarHBondContact CG-O 3.28Å; L604-K627 PolarHBondContact N-O 3.42Å; L604-R629 HydrophobicContact CD1-CG 3.91Å; L604-R629 HydrophobicContact CD2-CG 4.4Å; L604-R629 HydrophobicContact CG-CG 4.14Å; L604-W636 HydrophobicContact CD2-CH2 3.57Å; L604-W636 HydrophobicContact CD2-CZ3 3.52Å; L604-L644 HydrophobicContact CD2-CD1 4.36Å; L604-W761 VanDerWaalsContact C-CE3 3.44Å; L604-W761 HydrophobicContact CB-CD2 4.03Å; L604-W761 HydrophobicContact CB-CE3 4.2Å; L604-W761 HydrophobicContact CB-CH2 4.06Å; L604-W761 HydrophobicContact CB-CZ2 3.89Å; L604-W761 HydrophobicContact CB-CZ3 4.2Å; L604-W761 HydrophobicContact CD1-CZ2 4.34Å; L604-W761 HydrophobicContact CD2-CH2 4.02Å; L604-W761 HydrophobicContact CD2-CZ2 3.89Å; L604-W761 HydrophobicContact CG-CZ2 4.26Å; L604-W761 WeakPolarHBondContact O-CZ3 3.46Å
605	N	91.7	Very high	93.9	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.053	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-67.6	-15	-176.2	67.9	-73	0	0	0	114.3	I625 S626 K627 W761 F762	N605-I625 PolarHBondContact ND2-O 2.76Å; N605-S626 WeakPolarHBondContact OD1-CA 3.34Å; N605-K627 HydrophobicContact CB-CD 4.26Å; N605-K627 WeakPolarHBondContact OD1-CB 3.4Å; N605-K627 WeakPolarHBondContact OD1-CG 3.44Å; N605-K627 PolarHBondContact OD1-N 2.92Å; N605-W761 HydrophobicContact CB-CB 4.02Å; N605-F762 WeakPolarHBondContact O-CE2 3.47Å; N605-F762 WeakPolarHBondContact O-CZ 3.38Å
606	L	95.4	Very high	94.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-96.3	-2	174.7	-58.5	175.4	0	0	0	112.5	S603 L604 A608 V652 W656 Y687 F720	S603-L606 PolarHBondContact O-N 2.91Å; S603-L606 WeakPolarHBondContact OG-CD1 3.5Å; S603-L606 WeakPolarHBondContact OG-CG 3.41Å; L604-L606 PolarHBondContact O-N 3.41Å; L604-L606 VanDerWaalsContact O-N 3.13Å; L606-A608 PolarHBondContact O-N 3.48Å; L606-V652 WeakPolarHBondContact O-CG1 3.49Å; L606-V652 VanDerWaalsContact O-CG2 3.32Å; L606-V652 WeakPolarHBondContact O-CG2 3.27Å; L606-W656 HydrophobicContact CD2-CH2 4.37Å; L606-W656 HydrophobicContact CD2-CZ2 3.82Å; L606-Y687 HydrophobicContact CB-CE1 4.46Å; L606-Y687 HydrophobicContact CD1-CD1 3.73Å; L606-Y687 HydrophobicContact CD1-CD2 4.25Å; L606-Y687 HydrophobicContact CD1-CE1 3.74Å; L606-Y687 HydrophobicContact CD1-CE2 4.25Å; L606-Y687 HydrophobicContact CD1-CG 3.98Å; L606-Y687 HydrophobicContact CD2-CD1 3.92Å; L606-Y687 HydrophobicContact CD2-CE1 4.16Å; L606-Y687 HydrophobicContact CG-CD1 4.4Å; L606-Y687 HydrophobicContact CG-CE1 4.34Å; L606-F720 WeakPolarHBondContact O-CZ 3.27Å
607	G	94.5	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	4.5	179.7	0	0	0	0	0	115.6	S603 L604 L644	S603-G607 PolarHBondContact O-N 3.34Å; S603-G607 VanDerWaalsContact O-N 3.14Å; L604-G607 PolarHBondContact O-N 3.46Å; G607-L644 VanDerWaalsContact C-CD2 3.47Å; G607-L644 WeakPolarHBondContact O-CD2 3.44Å
608	A	96.6	Very high	94.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.2	-161.9	0	0	0	0	0	114.1	A592 A602 S603 L606 I610 N649 V652	A592-A608 HydrophobicContact CB-CB 3.86Å; A602-A608 CarbonylContact C-O 3.23Å; A602-A608 WeakPolarHBondContact CA-O 3.38Å; A602-A608 WeakPolarHBondContact CB-O 3.3Å; S603-A608 PolarHBondContact N-O 2.8Å; S603-A608 PolarHBondContact O-N 2.9Å; L606-A608 PolarHBondContact O-N 3.48Å; A608-I610 HydrophobicContact CB-CG2 4.26Å; A608-N649 VanDerWaalsContact CA-OD1 3.28Å; A608-N649 WeakPolarHBondContact CA-OD1 3.32Å; A608-V652 HydrophobicContact CB-CG1 4.19Å
609	L	97	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.7	159.7	-56.4	-168.1	0	0	0	111.1	N588 A592 P599 W601 A602 L631 L644 N649	N588-L609 HydrophobicContact CB-CD1 3.75Å; N588-L609 HydrophobicContact CB-CG 4.4Å; A592-L609 PolarHBondContact N-O 3.49Å; P599-L609 HydrophobicContact CB-CB 3.88Å; P599-L609 HydrophobicContact CG-CB 3.61Å; P599-L609 HydrophobicContact CG-CD1 4.36Å; W601-L609 CarbonylContact O-C 3.59Å; W601-L609 VanDerWaalsContact O-CA 3.32Å; W601-L609 WeakPolarHBondContact O-CA 3.38Å; A602-L609 HydrophobicContact CB-CD2 3.63Å; L609-L631 HydrophobicContact CD1-CD1 4.27Å; L609-L631 HydrophobicContact CD2-CD1 4.3Å; L609-L631 HydrophobicContact CD2-CD2 4.2Å; L609-L644 HydrophobicContact CD2-CD1 4.25Å; L609-N649 PolarHBondContact N-OD1 3.42Å; L609-N649 PolarHBondContact O-ND2 2.92Å
610	I	96.2	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.8	-175.2	63.3	-176.5	0	0	0	110.3	A592 D593 P599 D600 W601 A608 C614 H618	A592-I610 HydrophobicContact CB-CG2 4.21Å; D593-I610 WeakPolarHBondContact OD2-CG2 3.38Å; P599-I610 VanDerWaalsContact CB-C 3.44Å; P599-I610 WeakPolarHBondContact CB-O 3.49Å; D600-I610 PolarHBondContact N-O 3.3Å; W601-I610 CarbonylContact C-O 3.39Å; W601-I610 WeakPolarHBondContact CA-O 3.44Å; W601-I610 HydrophobicContact CB-CG1 3.94Å; W601-I610 WeakPolarHBondContact CB-O 3.3Å; W601-I610 PolarHBondContact N-O 2.89Å; W601-I610 PolarHBondContact O-N 3.03Å; W601-I610 VanDerWaalsContact O-O 3.04Å; A608-I610 HydrophobicContact CB-CG2 4.26Å; I610-C614 HydrophobicContact CB-CB 4.18Å; I610-H618 HydrophobicContact CD1-CB 4.08Å
611	C	94.6	Very high	95.1	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.034	13%	0.126	C	C	.	.			trans	-79.6	162.2	176.2	70.2	0	0	0	0	111.6	C591 C596 Q613 C614 S615	C591-C611 HydrophobicContact CB-CB 4.1Å; C591-C611 PolarHBondContact SG-N 2.89Å; C596-C611 HydrophobicContact CB-CB 4.09Å; C611-Q613 PolarHBondContact O-N 3.05Å; C611-C614 PolarHBondContact O-N 2.88Å; C611-C614 VanDerWaalsContact O-N 3.08Å; C611-S615 PolarHBondContact O-N 3.41Å
612	I	93.7	Very high	94.8	Very high	102 Å²	102	25.1 Å²	25.1	52%	0.523	13%	0.132	S	C	.	.	H	α-helix	trans	-45	-41.1	178.3	-168.2	168.6	0	0	0	114.7	D600 W601 S615 G616	D600-I612 PolarHBondContact OD1-N 3.37Å; W601-I612 HydrophobicContact CZ2-CG1 4.45Å; I612-S615 WeakPolarHBondContact O-CB 3.42Å; I612-S615 PolarHBondContact O-N 3.4Å; I612-S615 PolarHBondContact O-OG 2.82Å; I612-G616 PolarHBondContact O-N 3.34Å; I612-G616 VanDerWaalsContact O-N 3.15Å
613	Q	92.5	Very high	94.5	Very high	121 Å²	121	29.6 Å²	29.6	57%	0.565	16%	0.164	S	C	*	.	H	α-helix	trans	-66.9	-48.9	179.9	-66.6	-177.3	-8	0	0	112.5	C611 S615 G616 I617	C611-Q613 PolarHBondContact O-N 3.05Å; Q613-S615 VanDerWaalsContact C-N 3.3Å; Q613-S615 PolarHBondContact O-N 2.92Å; Q613-G616 PolarHBondContact O-N 3.21Å; Q613-I617 PolarHBondContact O-N 3.02Å
614	C	94.8	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-35.9	175.9	-61.4	0	0	0	0	110.8	C594 I610 C611 G616 I617 H618 I683	C594-C614 VanDerWaalsContact SG-SG 3.69Å; I610-C614 HydrophobicContact CB-CB 4.18Å; C611-C614 PolarHBondContact O-N 2.88Å; C611-C614 VanDerWaalsContact O-N 3.08Å; C614-G616 PolarHBondContact O-N 2.91Å; C614-I617 PolarHBondContact O-N 2.86Å; C614-H618 PolarHBondContact O-CD2 2.71Å; C614-H618 VanDerWaalsContact O-CD2 3.27Å; C614-H618 PolarHBondContact O-N 2.89Å; C614-I683 HydrophobicContact CB-CD1 3.9Å
615	S	96.2	Very high	94	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-34.8	173.8	95.4	0	0	0	0	112.7	C611 I612 Q613 R619	C611-S615 PolarHBondContact O-N 3.41Å; I612-S615 WeakPolarHBondContact O-CB 3.42Å; I612-S615 PolarHBondContact O-N 3.4Å; I612-S615 PolarHBondContact O-OG 2.82Å; Q613-S615 VanDerWaalsContact C-N 3.3Å; Q613-S615 PolarHBondContact O-N 2.92Å; S615-R619 WeakPolarHBondContact O-CD 3.27Å; S615-R619 VanDerWaalsContact O-CG 3.26Å; S615-R619 WeakPolarHBondContact O-CG 3.3Å; S615-R619 PolarHBondContact O-N 3.32Å; S615-R619 VanDerWaalsContact O-N 3.15Å
616	G	93.8	Very high	94.1	Very high	27 Å²	27	37.4 Å²	37.4	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-38.9	174.7	0	0	0	0	0	112.9	I612 Q613 C614	I612-G616 PolarHBondContact O-N 3.34Å; I612-G616 VanDerWaalsContact O-N 3.15Å; Q613-G616 PolarHBondContact O-N 3.21Å; C614-G616 PolarHBondContact O-N 2.91Å
617	I	94.9	Very high	94.1	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-73.2	-44.4	176.8	-61.1	166.8	0	0	0	110.4	Q613 C614 R619 N620 L621 K679 E680 I683	Q613-I617 PolarHBondContact O-N 3.02Å; C614-I617 PolarHBondContact O-N 2.86Å; I617-R619 PolarHBondContact O-N 3.26Å; I617-R619 VanDerWaalsContact O-N 3.15Å; I617-N620 WeakPolarHBondContact O-CA 3.33Å; I617-N620 WeakPolarHBondContact O-CB 3.39Å; I617-N620 PolarHBondContact O-N 2.81Å; I617-L621 PolarHBondContact O-N 2.75Å; I617-K679 HydrophobicContact CD1-CB 3.54Å; I617-E680 HydrophobicContact CD1-CB 4.24Å; I617-E680 HydrophobicContact CG1-CB 4.44Å; I617-E680 HydrophobicContact CG2-CB 3.98Å; I617-E680 HydrophobicContact CG2-CG 3.93Å; I617-I683 HydrophobicContact CB-CD1 4.01Å; I617-I683 HydrophobicContact CD1-CD1 3.89Å; I617-I683 HydrophobicContact CG2-CB 4Å; I617-I683 HydrophobicContact CG2-CD1 3.94Å; I617-I683 HydrophobicContact CG2-CG2 3.72Å
618	H	97	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-29.7	175.9	-87.2	-108.3	0	0	0	113.4	D593 I610 C614 N620 S626 V628 Y687	D593-H618 IonicContact OD2-CD2 2.8Å; D593-H618 IonicContact OD2-NE2 2.81Å; D593-H618 PolarHBondContact OD2-NE2 3.38Å; I610-H618 HydrophobicContact CD1-CB 4.08Å; C614-H618 PolarHBondContact O-CD2 2.71Å; C614-H618 VanDerWaalsContact O-CD2 3.27Å; C614-H618 PolarHBondContact O-N 2.89Å; H618-N620 VanDerWaalsContact C-N 3.34Å; H618-S626 WeakPolarHBondContact CB-OG 3.06Å; H618-S626 PolarHBondContact ND1-OG 2.75Å; H618-V628 HydrophobicContact CB-CG2 3.55Å; H618-Y687 AromaticContact CE1-CD2 3.63Å; H618-Y687 AromaticContact CE1-CE2 3.3Å; H618-Y687 WeakPolarHBondContact CE1-CE2 3.24Å; H618-Y687 AromaticContact NE2-CD2 3.86Å; H618-Y687 AromaticContact NE2-CE2 3.44Å; H618-Y687 WeakPolarHBondContact NE2-CE2 3.21Å
619	R	95.6	Very high	94.1	Very high	127 Å²	127	45 Å²	45	48%	0.479	23%	0.231	S	C	.	.	H	α-helix	trans	-67.9	-32.7	171.9	-71.6	163.6	-173.7	-77.6	0.4	112.6	S615 I617 G622 V628	S615-R619 WeakPolarHBondContact O-CD 3.27Å; S615-R619 VanDerWaalsContact O-CG 3.26Å; S615-R619 WeakPolarHBondContact O-CG 3.3Å; S615-R619 PolarHBondContact O-N 3.32Å; S615-R619 VanDerWaalsContact O-N 3.15Å; I617-R619 PolarHBondContact O-N 3.26Å; I617-R619 VanDerWaalsContact O-N 3.15Å; R619-G622 PolarHBondContact O-N 3.18Å; R619-V628 HydrophobicContact CG-CB 4.32Å; R619-V628 HydrophobicContact CG-CG2 4.19Å
620	N	94.1	Very high	93.9	Very high	88 Å²	88	45.2 Å²	45.2	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-76.5	-23.2	178.7	-69.1	-2.5	0	0	0	113.3	I617 H618 G622	I617-N620 WeakPolarHBondContact O-CA 3.33Å; I617-N620 WeakPolarHBondContact O-CB 3.39Å; I617-N620 PolarHBondContact O-N 2.81Å; H618-N620 VanDerWaalsContact C-N 3.34Å; N620-G622 PolarHBondContact O-N 2.95Å
621	L	93.8	Very high	93.7	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-26.2	169.8	-53.9	179.7	0	0	0	112.3	I617 H624 I625 I683 R684	I617-L621 PolarHBondContact O-N 2.75Å; L621-H624 PolarHBondContact O-CE1 3.16Å; L621-H624 VanDerWaalsContact O-CE1 3.32Å; L621-I625 HydrophobicContact CB-CB 4.05Å; L621-I625 HydrophobicContact CB-CD1 4.22Å; L621-I625 HydrophobicContact CB-CG2 4.19Å; L621-I625 HydrophobicContact CD1-CG2 3.89Å; L621-I683 HydrophobicContact CD1-CG2 3.81Å; L621-I683 HydrophobicContact CD2-CG2 4.41Å; L621-I683 HydrophobicContact CG-CG2 4.41Å; L621-R684 HydrophobicContact CD2-CG 3.73Å
622	G	90.6	Very high	93.2	Very high	23 Å²	23	49.2 Å²	49.2	24%	0.237	25%	0.253	C	S	.	.			trans	86.4	158.9	-178	0	0	0	0	0	114.5	R619 N620 H624 I625 S626	R619-G622 PolarHBondContact O-N 3.18Å; N620-G622 PolarHBondContact O-N 2.95Å; G622-H624 PolarHBondContact O-N 2.97Å; G622-I625 PolarHBondContact O-N 3.37Å; G622-S626 PolarHBondContact O-N 2.91Å
623	S	90.6	Very high	92.8	Very high	94 Å²	94	49.6 Å²	49.6	66%	0.657	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.3	-168.5	61.9	0	0	0	0	116.2	S626 K627	S623-S626 WeakPolarHBondContact CA-O 3.4Å; S623-K627 WeakPolarHBondContact O-CE 3.48Å
624	H	87.6	Confident	92.5	Very high	151 Å²	151	47 Å²	47	70%	0.699	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-23.3	174.3	68.6	-70.3	0	0	0	112	L621 G622	L621-H624 PolarHBondContact O-CE1 3.16Å; L621-H624 VanDerWaalsContact O-CE1 3.32Å; G622-H624 PolarHBondContact O-N 2.97Å
625	I	92.2	Very high	92	Very high	25 Å²	25	55.9 Å²	55.9	13%	0.128	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-44.1	173.1	-58.1	176.2	0	0	0	110.3	N605 L621 G622 E688	N605-I625 PolarHBondContact ND2-O 2.76Å; L621-I625 HydrophobicContact CB-CB 4.05Å; L621-I625 HydrophobicContact CB-CD1 4.22Å; L621-I625 HydrophobicContact CB-CG2 4.19Å; L621-I625 HydrophobicContact CD1-CG2 3.89Å; G622-I625 PolarHBondContact O-N 3.37Å; I625-E688 HydrophobicContact CD1-CB 4.11Å; I625-E688 HydrophobicContact CD1-CG 3.92Å
626	S	95	Very high	91.6	Very high	4 Å²	4	57 Å²	57	3%	0.028	29%	0.291	C	S	.	.			trans	-142.7	127.6	-173.2	178.5	0	0	0	0	114.1	S603 N605 H618 G622 S623	S603-S626 WeakPolarHBondContact CB-OG 3.38Å; S603-S626 PolarHBondContact OG-OG 2.9Å; N605-S626 WeakPolarHBondContact OD1-CA 3.34Å; H618-S626 WeakPolarHBondContact CB-OG 3.06Å; H618-S626 PolarHBondContact ND1-OG 2.75Å; G622-S626 PolarHBondContact O-N 2.91Å; S623-S626 WeakPolarHBondContact CA-O 3.4Å
627	K	94.4	Very high	91.3	Very high	48 Å²	48	57.9 Å²	57.9	21%	0.209	29%	0.292	C	S	.	.			trans	-107.7	84.8	-178.5	-64.4	173.3	-174.7	170.4	0	110.3	L604 N605 S623 W761 N763	L604-K627 HydrophobicContact CB-CB 4.35Å; L604-K627 WeakPolarHBondContact CG-O 3.28Å; L604-K627 PolarHBondContact N-O 3.42Å; N605-K627 HydrophobicContact CB-CD 4.26Å; N605-K627 WeakPolarHBondContact OD1-CB 3.4Å; N605-K627 WeakPolarHBondContact OD1-CG 3.44Å; N605-K627 PolarHBondContact OD1-N 2.92Å; S623-K627 WeakPolarHBondContact O-CE 3.48Å; K627-W761 PolarHBondContact NZ-O 3.46Å; K627-N763 PolarHBondContact NZ-OD1 2.93Å
628	V	96.5	Very high	91	Very high	10 Å²	10	61.4 Å²	61.4	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.5	-172.2	-177.2	0	0	0	0	113.8	W601 A602 H618 R619	W601-V628 HydrophobicContact CE3-CG1 3.89Å; A602-V628 CarbonylContact O-C 3.59Å; A602-V628 VanDerWaalsContact O-CA 3.31Å; A602-V628 WeakPolarHBondContact O-CA 3.23Å; H618-V628 HydrophobicContact CB-CG2 3.55Å; R619-V628 HydrophobicContact CG-CB 4.32Å; R619-V628 HydrophobicContact CG-CG2 4.19Å
629	R	94.6	Very high	90.6	Very high	107 Å²	107	62.3 Å²	62.3	40%	0.404	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.8	169.7	-69.1	-63.8	-179	-79.4	-1.9	111.7	W601 A602 L604 D634 W636	W601-R629 CarbonylContact C-O 3.55Å; W601-R629 VanDerWaalsContact CA-O 3.3Å; W601-R629 WeakPolarHBondContact CA-O 3.27Å; W601-R629 WeakPolarHBondContact CB-O 3.36Å; W601-R629 VanDerWaalsContact CE3-C 3.49Å; A602-R629 PolarHBondContact N-O 2.88Å; A602-R629 PolarHBondContact O-N 3.43Å; L604-R629 HydrophobicContact CD1-CG 3.91Å; L604-R629 HydrophobicContact CD2-CG 4.4Å; L604-R629 HydrophobicContact CG-CG 4.14Å; R629-D634 VanDerWaalsContact CA-OD2 3.27Å; R629-D634 WeakPolarHBondContact CA-OD2 3.47Å; R629-D634 HydrophobicContact CB-CB 4.44Å; R629-D634 WeakPolarHBondContact CD-OD2 3.35Å; R629-W636 HydrophobicContact CB-CH2 3.81Å; R629-W636 HydrophobicContact CB-CZ2 3.56Å
630	S	94.2	Very high	90.4	Very high	3 Å²	3	58 Å²	58	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.5	171.5	-177	0	0	0	0	110.5	W601 D632 L633 D634 W636	W601-S630 VanDerWaalsContact CE3-CA 3.46Å; W601-S630 VanDerWaalsContact CZ3-CB 3.4Å; S630-D632 VanDerWaalsContact C-N 3.32Å; S630-D632 PolarHBondContact OG-N 3.16Å; S630-L633 PolarHBondContact OG-N 2.89Å; S630-L633 VanDerWaalsContact OG-N 3.09Å; S630-D634 PolarHBondContact N-OD2 3.44Å; S630-D634 PolarHBondContact O-N 3.35Å; S630-W636 WeakPolarHBondContact O-CZ2 3.41Å; S630-W636 PolarHBondContact O-NE1 3.07Å
631	L	90.7	Very high	90.3	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-34.4	170.7	-63.5	179	0	0	0	111.9	I579 L582 P599 D600 L609 W636	I579-L631 WeakPolarHBondContact CD1-O 3.46Å; I579-L631 HydrophobicContact CG2-CB 4.23Å; I579-L631 HydrophobicContact CG2-CD1 4.39Å; L582-L631 HydrophobicContact CD1-CD2 3.92Å; P599-L631 WeakPolarHBondContact O-CD1 3.3Å; D600-L631 WeakPolarHBondContact O-CB 3.35Å; D600-L631 PolarHBondContact O-N 3.3Å; L609-L631 HydrophobicContact CD1-CD1 4.27Å; L609-L631 HydrophobicContact CD2-CD1 4.3Å; L609-L631 HydrophobicContact CD2-CD2 4.2Å; L631-W636 HydrophobicContact CD2-CH2 4.27Å; L631-W636 HydrophobicContact CD2-CZ2 3.79Å; L631-W636 PolarHBondContact O-NE1 3.23Å
632	D	84.5	Confident	90.2	Very high	88 Å²	88	57.6 Å²	57.6	47%	0.471	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-19.6	-172.9	-64.5	-57.5	0	0	0	114.5	S630	S630-D632 VanDerWaalsContact C-N 3.32Å; S630-D632 PolarHBondContact OG-N 3.16Å
633	L	84.6	Confident	90.4	Very high	110 Å²	110	56.5 Å²	56.5	58%	0.576	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-19.8	-175.6	-59.6	169.8	0	0	0	115.4	M490 W601 S630	M490-L633 HydrophobicContact CE-CD2 3.83Å; M490-L633 HydrophobicContact SD-CD2 3.55Å; M490-L633 VanDerWaalsContact SD-CD2 3.55Å; M490-L633 HydrophobicContact SD-CG 4.28Å; W601-L633 HydrophobicContact CH2-CD1 4.04Å; W601-L633 HydrophobicContact CZ2-CD1 4.27Å; S630-L633 PolarHBondContact OG-N 2.89Å; S630-L633 VanDerWaalsContact OG-N 3.09Å
634	D	87.9	Confident	90.6	Very high	65 Å²	65	52 Å²	52	35%	0.348	25%	0.249	S	C	.	.	S	Bend	trans	-105.1	158.1	-179.6	-70.7	-59.5	0	0	0	111.7	R629 S630	R629-D634 VanDerWaalsContact CA-OD2 3.27Å; R629-D634 WeakPolarHBondContact CA-OD2 3.47Å; R629-D634 HydrophobicContact CB-CB 4.44Å; R629-D634 WeakPolarHBondContact CD-OD2 3.35Å; S630-D634 PolarHBondContact N-OD2 3.44Å; S630-D634 PolarHBondContact O-N 3.35Å
635	E	84.2	Confident	90.9	Very high	188 Å²	188	48.6 Å²	48.6	88%	0.879	23%	0.233	S	C	*	.			trans	-78.8	138.9	170.9	-67.3	-174.4	166.8	0	0	111.3	P637	E635-P637 WeakPolarHBondContact O-CD 3.17Å
636	W	86.9	Confident	91	Very high	28 Å²	28	49.3 Å²	49.3	11%	0.106	24%	0.243	C	C	.	.			trans	-117.4	97.4	-174.8	-74.9	91.1	0	0	0	112.7	A602 L604 R629 S630 L631 H640 V641 L644	A602-W636 HydrophobicContact CB-CH2 3.87Å; A602-W636 HydrophobicContact CB-CZ2 4.44Å; L604-W636 HydrophobicContact CD2-CH2 3.57Å; L604-W636 HydrophobicContact CD2-CZ3 3.52Å; R629-W636 HydrophobicContact CB-CH2 3.81Å; R629-W636 HydrophobicContact CB-CZ2 3.56Å; S630-W636 WeakPolarHBondContact O-CZ2 3.41Å; S630-W636 PolarHBondContact O-NE1 3.07Å; L631-W636 HydrophobicContact CD2-CH2 4.27Å; L631-W636 HydrophobicContact CD2-CZ2 3.79Å; L631-W636 PolarHBondContact O-NE1 3.23Å; W636-H640 HydrophobicContact CE3-CB 4Å; W636-H640 HydrophobicContact CZ3-CB 4.11Å; W636-V641 HydrophobicContact CB-CG2 4.18Å; W636-V641 HydrophobicContact CE3-CG2 4.49Å; W636-L644 HydrophobicContact CE3-CD1 4.4Å; W636-L644 HydrophobicContact CH2-CD1 3.73Å; W636-L644 HydrophobicContact CZ3-CD1 3.42Å; W636-L644 VanDerWaalsContact CZ3-CD1 3.42Å
637	P	87.7	Confident	91	Very high	45 Å²	45	49.4 Å²	49.4	29%	0.292	24%	0.243	S	C	.	.			trans	-57.2	143.6	165.2	-22	32.8	0	0	0	111.4	E635 E639 H640 V641	E635-P637 WeakPolarHBondContact O-CD 3.17Å; P637-E639 WeakPolarHBondContact CB-OE2 3.39Å; P637-E639 PolarHBondContact O-N 3.4Å; P637-H640 WeakPolarHBondContact O-CB 3.33Å; P637-H640 PolarHBondContact O-N 3.03Å; P637-H640 VanDerWaalsContact O-N 3.09Å; P637-V641 PolarHBondContact O-N 3.11Å
638	L	88.1	Confident	91	Very high	78 Å²	78	47.1 Å²	47.1	41%	0.408	23%	0.233	S	C	.	.	H	α-helix	trans	-59.3	-33.1	-178.4	-69.4	175.4	0	0	0	112	L578 H640 V641 W642	L578-L638 HydrophobicContact CD1-CD2 3.64Å; L578-L638 HydrophobicContact CD2-CD2 3.59Å; L578-L638 HydrophobicContact CG-CD2 4.29Å; L638-H640 VanDerWaalsContact C-N 3.3Å; L638-H640 PolarHBondContact O-N 2.94Å; L638-V641 WeakPolarHBondContact O-CB 3.34Å; L638-V641 PolarHBondContact O-N 3.02Å; L638-V641 VanDerWaalsContact O-N 3.11Å; L638-W642 HydrophobicContact CB-CH2 4.24Å; L638-W642 HydrophobicContact CB-CZ2 3.87Å; L638-W642 HydrophobicContact CD1-CZ2 4.34Å; L638-W642 VanDerWaalsContact O-CD2 3.32Å; L638-W642 PolarHBondContact O-N 2.78Å
639	E	89.2	Confident	91	Very high	19 Å²	19	46.8 Å²	46.8	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-36.8	179.8	-52.9	88.6	161.1	0	0	111.2	P637 W642 V643 Q757 I791 Q794	P637-E639 WeakPolarHBondContact CB-OE2 3.39Å; P637-E639 PolarHBondContact O-N 3.4Å; E639-W642 HydrophobicContact CG-CE3 4.43Å; E639-W642 HydrophobicContact CG-CZ3 4.11Å; E639-V643 WeakPolarHBondContact O-CG2 3.22Å; E639-V643 PolarHBondContact O-N 3.48Å; E639-Q757 HydrophobicContact CB-CG 4.44Å; E639-I791 HydrophobicContact CB-CD1 4.24Å; E639-I791 HydrophobicContact CB-CG1 4.02Å; E639-I791 HydrophobicContact CG-CD1 4.12Å; E639-I791 HydrophobicContact CG-CG1 3.71Å; E639-Q794 PolarHBondContact OE1-NE2 3.34Å
640	H	92.1	Very high	91	Very high	37 Å²	37	47.6 Å²	47.6	17%	0.171	24%	0.239	C	C	.	.	H	α-helix	trans	-71.6	-38.3	172.5	-63.9	-177.8	0	0	0	111.8	W636 P637 L638 L644 W761	W636-H640 HydrophobicContact CE3-CB 4Å; W636-H640 HydrophobicContact CZ3-CB 4.11Å; P637-H640 WeakPolarHBondContact O-CB 3.33Å; P637-H640 PolarHBondContact O-N 3.03Å; P637-H640 VanDerWaalsContact O-N 3.09Å; L638-H640 VanDerWaalsContact C-N 3.3Å; L638-H640 PolarHBondContact O-N 2.94Å; H640-L644 PolarHBondContact O-N 3.26Å; H640-W761 HydrophobicContact CB-CH2 4.31Å; H640-W761 HydrophobicContact CB-CZ2 3.85Å; H640-W761 AromaticContact CD2-CE2 3.99Å; H640-W761 AromaticContact CD2-CZ2 3.5Å; H640-W761 AromaticContact CD2-NE1 3.86Å; H640-W761 AromaticContact CG-CZ2 3.68Å; H640-W761 AromaticContact NE2-NE1 3.7Å
641	V	91.6	Very high	91.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-44.9	177.8	173.1	0	0	0	0	110.6	L578 L582 W636 P637 L638 V643 L644 Q645	L578-V641 HydrophobicContact CD2-CG1 4.27Å; L582-V641 HydrophobicContact CD1-CG1 4.43Å; L582-V641 HydrophobicContact CD1-CG2 4.34Å; L582-V641 HydrophobicContact CD2-CB 4.45Å; L582-V641 HydrophobicContact CD2-CG1 3.87Å; L582-V641 WeakPolarHBondContact CD2-O 3.28Å; L582-V641 HydrophobicContact CG-CG1 3.95Å; W636-V641 HydrophobicContact CB-CG2 4.18Å; W636-V641 HydrophobicContact CE3-CG2 4.49Å; P637-V641 PolarHBondContact O-N 3.11Å; L638-V641 WeakPolarHBondContact O-CB 3.34Å; L638-V641 PolarHBondContact O-N 3.02Å; L638-V641 VanDerWaalsContact O-N 3.11Å; V641-V643 PolarHBondContact O-N 2.93Å; V641-L644 PolarHBondContact O-N 3.47Å; V641-Q645 VanDerWaalsContact O-CB 3.27Å; V641-Q645 WeakPolarHBondContact O-CB 3.2Å; V641-Q645 PolarHBondContact O-N 2.7Å
642	W	92.1	Very high	91.4	Very high	82 Å²	82	49.1 Å²	49.1	31%	0.311	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-41.2	180	-61.8	-29.7	0	0	0	113	L638 E639 Q645 A646 P753 I754 E787	L638-W642 HydrophobicContact CB-CH2 4.24Å; L638-W642 HydrophobicContact CB-CZ2 3.87Å; L638-W642 HydrophobicContact CD1-CZ2 4.34Å; L638-W642 VanDerWaalsContact O-CD2 3.32Å; L638-W642 PolarHBondContact O-N 2.78Å; E639-W642 HydrophobicContact CG-CE3 4.43Å; E639-W642 HydrophobicContact CG-CZ3 4.11Å; W642-Q645 PolarHBondContact O-N 3.36Å; W642-A646 WeakPolarHBondContact O-CB 3.49Å; W642-A646 PolarHBondContact O-N 2.85Å; W642-P753 HydrophobicContact CE3-CG 4.38Å; W642-P753 HydrophobicContact CZ3-CG 4.42Å; W642-I754 HydrophobicContact CB-CD1 4.43Å; W642-I754 HydrophobicContact CB-CG1 3.97Å; W642-E787 HydrophobicContact CH2-CG 3.67Å; W642-E787 HydrophobicContact CZ3-CB 4.15Å; W642-E787 HydrophobicContact CZ3-CG 3.65Å
643	V	94.6	Very high	91.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-46.5	177.6	-175.5	0	0	0	0	111.4	E639 V641 Q645 A646 L647 I754 Q757 L758 W761	E639-V643 WeakPolarHBondContact O-CG2 3.22Å; E639-V643 PolarHBondContact O-N 3.48Å; V641-V643 PolarHBondContact O-N 2.93Å; V643-Q645 VanDerWaalsContact C-N 3.3Å; V643-Q645 PolarHBondContact O-N 3.19Å; V643-A646 PolarHBondContact O-N 2.88Å; V643-L647 HydrophobicContact CG1-CD1 3.83Å; V643-L647 HydrophobicContact CG1-CG 4.36Å; V643-L647 WeakPolarHBondContact O-CG 3.48Å; V643-L647 PolarHBondContact O-N 3.28Å; V643-I754 HydrophobicContact CB-CG2 4.49Å; V643-I754 HydrophobicContact CG2-CG2 4.1Å; V643-Q757 HydrophobicContact CG2-CB 3.8Å; V643-Q757 HydrophobicContact CG2-CG 3.87Å; V643-L758 HydrophobicContact CG1-CB 4.35Å; V643-L758 HydrophobicContact CG1-CD1 4.11Å; V643-W761 HydrophobicContact CB-CH2 3.75Å; V643-W761 HydrophobicContact CB-CZ3 3.61Å; V643-W761 HydrophobicContact CG1-CE3 4Å; V643-W761 HydrophobicContact CG1-CH2 4.05Å; V643-W761 HydrophobicContact CG1-CZ3 3.36Å; V643-W761 HydrophobicContact CG2-CH2 4.28Å; V643-W761 HydrophobicContact CG2-CZ3 4.23Å
644	L	94.6	Very high	92.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-32.2	178.1	-69.9	179.3	0	0	0	112.9	L582 A602 L604 G607 L609 W636 H640 V641 G648 W761	L582-L644 HydrophobicContact CD2-CB 3.6Å; A602-L644 HydrophobicContact CB-CD1 3.82Å; A602-L644 HydrophobicContact CB-CD2 4.45Å; L604-L644 HydrophobicContact CD2-CD1 4.36Å; G607-L644 VanDerWaalsContact C-CD2 3.47Å; G607-L644 WeakPolarHBondContact O-CD2 3.44Å; L609-L644 HydrophobicContact CD2-CD1 4.25Å; W636-L644 HydrophobicContact CE3-CD1 4.4Å; W636-L644 HydrophobicContact CH2-CD1 3.73Å; W636-L644 HydrophobicContact CZ3-CD1 3.42Å; W636-L644 VanDerWaalsContact CZ3-CD1 3.42Å; H640-L644 PolarHBondContact O-N 3.26Å; V641-L644 PolarHBondContact O-N 3.47Å; L644-G648 PolarHBondContact O-N 2.81Å; L644-W761 HydrophobicContact CG-CH2 4.44Å
645	Q	92.7	Very high	92.8	Very high	79 Å²	79	41 Å²	41	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-74	-37.3	175.5	-172.2	179.8	-7.6	0	0	112.5	L582 A585 V641 W642 V643	L582-Q645 HydrophobicContact CD2-CB 4.18Å; A585-Q645 HydrophobicContact CB-CG 4.46Å; A585-Q645 WeakPolarHBondContact CB-O 3.14Å; V641-Q645 VanDerWaalsContact O-CB 3.27Å; V641-Q645 WeakPolarHBondContact O-CB 3.2Å; V641-Q645 PolarHBondContact O-N 2.7Å; W642-Q645 PolarHBondContact O-N 3.36Å; V643-Q645 VanDerWaalsContact C-N 3.3Å; V643-Q645 PolarHBondContact O-N 3.19Å
646	A	94	Very high	93.3	Very high	41 Å²	41	32.4 Å²	32.4	34%	0.339	17%	0.169	S	C	.	.	H	α-helix	trans	-78.7	-26.8	-177.9	0	0	0	0	0	113.4	W642 V643 L716 I754	W642-A646 WeakPolarHBondContact O-CB 3.49Å; W642-A646 PolarHBondContact O-N 2.85Å; V643-A646 PolarHBondContact O-N 2.88Å; A646-L716 HydrophobicContact CB-CD2 3.65Å; A646-I754 HydrophobicContact CB-CD1 3.94Å; A646-I754 HydrophobicContact CB-CG2 4.13Å
647	L	95.6	Very high	93.6	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-82.9	-71.7	171.8	-63	174.7	0	0	0	110.6	V643 L651 V652 L716 F720 L758	V643-L647 HydrophobicContact CG1-CD1 3.83Å; V643-L647 HydrophobicContact CG1-CG 4.36Å; V643-L647 WeakPolarHBondContact O-CG 3.48Å; V643-L647 PolarHBondContact O-N 3.28Å; L647-L651 HydrophobicContact CD2-CD2 3.84Å; L647-L651 VanDerWaalsContact O-CB 3.26Å; L647-L651 WeakPolarHBondContact O-CB 3.15Å; L647-V652 HydrophobicContact CB-CG2 4.31Å; L647-L716 HydrophobicContact CD2-CD1 4.19Å; L647-L716 HydrophobicContact CD2-CD2 4Å; L647-L716 HydrophobicContact CD2-CG 3.92Å; L647-F720 HydrophobicContact CD1-CD2 3.87Å; L647-F720 HydrophobicContact CD1-CE2 3.88Å; L647-F720 HydrophobicContact CD2-CB 4.01Å; L647-F720 HydrophobicContact CD2-CD1 4.39Å; L647-F720 HydrophobicContact CD2-CD2 4.05Å; L647-F720 HydrophobicContact CD2-CG 3.89Å; L647-L758 HydrophobicContact CD1-CD1 4.32Å
648	G	95	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	69.8	151.5	-172.9	0	0	0	0	0	113.7	P586 N588 L644 E650 L651 V652	P586-G648 CarbonylContact O-C 3.42Å; N588-G648 WeakPolarHBondContact OD1-CA 3.49Å; L644-G648 PolarHBondContact O-N 2.81Å; G648-E650 PolarHBondContact O-N 3.09Å; G648-E650 VanDerWaalsContact O-N 3.11Å; G648-L651 PolarHBondContact O-N 3Å; G648-V652 WeakPolarHBondContact O-CG2 3.25Å; G648-V652 PolarHBondContact O-N 3.23Å
649	N	96.8	Very high	93.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-24.1	-175.3	-74.5	-9.5	0	0	0	114.2	P586 N588 F590 A592 A608 L609 N653	P586-N649 PolarHBondContact O-N 3.02Å; P586-N649 VanDerWaalsContact O-N 3.15Å; N588-N649 VanDerWaalsContact OD1-CG 3.28Å; N588-N649 PolarHBondContact OD1-N 3.41Å; N588-N649 PolarHBondContact OD1-OD1 2.82Å; F590-N649 PolarHBondContact O-ND2 2.91Å; A592-N649 HydrophobicContact CB-CB 4.36Å; A592-N649 PolarHBondContact N-ND2 3.32Å; A608-N649 VanDerWaalsContact CA-OD1 3.28Å; A608-N649 WeakPolarHBondContact CA-OD1 3.32Å; L609-N649 PolarHBondContact N-OD1 3.42Å; L609-N649 PolarHBondContact O-ND2 2.92Å; N649-N653 VanDerWaalsContact O-CB 3.27Å; N649-N653 WeakPolarHBondContact O-CB 3.16Å; N649-N653 PolarHBondContact O-N 2.85Å
650	E	95.1	Very high	93.1	Very high	125 Å²	125	37.6 Å²	37.6	58%	0.584	19%	0.19	S	C	*	.	H	α-helix	trans	-67.2	-49.8	176.3	-165.8	169.8	145.8	0	0	111.9	P586 G648 N653 S654	P586-E650 HydrophobicContact CB-CB 3.77Å; P586-E650 HydrophobicContact CB-CG 4.43Å; P586-E650 VanDerWaalsContact CB-OE2 3.32Å; P586-E650 WeakPolarHBondContact CB-OE2 3.36Å; P586-E650 PolarHBondContact O-N 2.7Å; P586-E650 VanDerWaalsContact O-N 3.12Å; G648-E650 PolarHBondContact O-N 3.09Å; G648-E650 VanDerWaalsContact O-N 3.11Å; E650-N653 PolarHBondContact O-N 2.78Å; E650-S654 PolarHBondContact O-N 2.88Å
651	L	96.2	Very high	91.6	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.188	21%	0.214	C	C	.	.	H	α-helix	trans	-68.2	-37.7	175.7	-177.6	65.5	0	0	0	111.7	L647 G648 N653 S654 V655 P717	L647-L651 HydrophobicContact CD2-CD2 3.84Å; L647-L651 VanDerWaalsContact O-CB 3.26Å; L647-L651 WeakPolarHBondContact O-CB 3.15Å; G648-L651 PolarHBondContact O-N 3Å; L651-N653 VanDerWaalsContact C-N 3.33Å; L651-N653 PolarHBondContact O-N 3.22Å; L651-S654 WeakPolarHBondContact CA-OG 3.24Å; L651-S654 PolarHBondContact O-N 3.21Å; L651-S654 PolarHBondContact O-OG 3.33Å; L651-V655 PolarHBondContact O-N 3.17Å; L651-P717 HydrophobicContact CD1-CB 3.94Å; L651-P717 HydrophobicContact CD1-CG 4.02Å; L651-P717 HydrophobicContact CD2-CG 4.12Å
652	V	96.9	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-48.2	175.5	174.5	0	0	0	0	110.1	L606 A608 L647 G648 V655 W656 F720	L606-V652 WeakPolarHBondContact O-CG1 3.49Å; L606-V652 VanDerWaalsContact O-CG2 3.32Å; L606-V652 WeakPolarHBondContact O-CG2 3.27Å; A608-V652 HydrophobicContact CB-CG1 4.19Å; L647-V652 HydrophobicContact CB-CG2 4.31Å; G648-V652 WeakPolarHBondContact O-CG2 3.25Å; G648-V652 PolarHBondContact O-N 3.23Å; V652-V655 PolarHBondContact O-N 3.13Å; V652-W656 HydrophobicContact CG1-CG 4.49Å; V652-W656 WeakPolarHBondContact O-CB 3.41Å; V652-W656 VanDerWaalsContact O-CD1 3.28Å; V652-W656 PolarHBondContact O-N 3.47Å; V652-F720 HydrophobicContact CG1-CZ 4.44Å; V652-F720 HydrophobicContact CG2-CE1 4.23Å; V652-F720 HydrophobicContact CG2-CZ 4.09Å
653	N	95.2	Very high	88.5	Confident	21 Å²	21	47.3 Å²	47.3	11%	0.112	25%	0.252	C	S	.	.	H	α-helix	trans	-75	-25.5	-179.4	-73.3	-14.2	0	0	0	113	A592 N649 E650 L651 V655 E657 K686	A592-N653 PolarHBondContact O-ND2 2.85Å; A592-N653 PolarHBondContact O-OD1 3.14Å; N649-N653 VanDerWaalsContact O-CB 3.27Å; N649-N653 WeakPolarHBondContact O-CB 3.16Å; N649-N653 PolarHBondContact O-N 2.85Å; E650-N653 PolarHBondContact O-N 2.78Å; L651-N653 VanDerWaalsContact C-N 3.33Å; L651-N653 PolarHBondContact O-N 3.22Å; N653-V655 PolarHBondContact O-N 3.37Å; N653-E657 HydrophobicContact CB-CB 4.4Å; N653-E657 HydrophobicContact CB-CG 4.26Å; N653-E657 VanDerWaalsContact CB-OE2 3.31Å; N653-E657 WeakPolarHBondContact CB-OE2 3.43Å; N653-E657 PolarHBondContact ND2-OE2 2.75Å; N653-E657 VanDerWaalsContact ND2-OE2 3.11Å; N653-E657 CarbonylContact O-C 3.59Å; N653-E657 VanDerWaalsContact O-CA 3.3Å; N653-E657 WeakPolarHBondContact O-CA 3.33Å; N653-E657 WeakPolarHBondContact O-CB 3.37Å; N653-E657 PolarHBondContact O-N 2.76Å; N653-E657 PolarHBondContact OD1-OE2 2.8Å; N653-K686 PolarHBondContact OD1-NZ 3.2Å
654	S	94.6	Very high	86.8	Confident	63 Å²	63	54 Å²	54	44%	0.441	28%	0.283	S	S	.	.	H	α-helix	trans	-67.9	-16.4	169.8	71.5	0	0	0	0	113.4	E650 L651 F658	E650-S654 PolarHBondContact O-N 2.88Å; L651-S654 WeakPolarHBondContact CA-OG 3.24Å; L651-S654 PolarHBondContact O-N 3.21Å; L651-S654 PolarHBondContact O-OG 3.33Å; S654-F658 WeakPolarHBondContact O-CD2 3.39Å
655	V	95	Very high	85.2	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-95.7	-53	171.3	168.7	0	0	0	0	111.2	L651 V652 N653 L693 A694 F720 L721 A724	L651-V655 PolarHBondContact O-N 3.17Å; V652-V655 PolarHBondContact O-N 3.13Å; N653-V655 PolarHBondContact O-N 3.37Å; V655-L693 HydrophobicContact CG1-CD1 3.55Å; V655-L693 WeakPolarHBondContact O-CA 3.03Å; V655-A694 PolarHBondContact O-N 3.37Å; V655-F720 HydrophobicContact CB-CD1 4.25Å; V655-F720 HydrophobicContact CB-CE1 4.13Å; V655-F720 HydrophobicContact CG1-CD1 4.32Å; V655-F720 HydrophobicContact CG1-CE1 4.21Å; V655-F720 HydrophobicContact CG2-CD1 4.02Å; V655-F720 HydrophobicContact CG2-CE1 4.39Å; V655-L721 HydrophobicContact CG1-CD1 3.95Å; V655-L721 HydrophobicContact CG2-CB 4.27Å; V655-A724 HydrophobicContact CG1-CB 4.34Å
656	W	95.3	Very high	83.6	Confident	9 Å²	9	54.3 Å²	54.3	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-85.7	-9.8	-171.6	-71	96.1	0	0	0	115.2	L606 V652 K686 Y687 K690 L693 F720 A724	L606-W656 HydrophobicContact CD2-CH2 4.37Å; L606-W656 HydrophobicContact CD2-CZ2 3.82Å; V652-W656 HydrophobicContact CG1-CG 4.49Å; V652-W656 WeakPolarHBondContact O-CB 3.41Å; V652-W656 VanDerWaalsContact O-CD1 3.28Å; V652-W656 PolarHBondContact O-N 3.47Å; W656-K686 HydrophobicContact CB-CG 4.22Å; W656-K686 VanDerWaalsContact CE3-O 3.27Å; W656-Y687 HydrophobicContact CB-CE1 4.2Å; W656-Y687 AromaticContact CD2-CD1 3.74Å; W656-Y687 HydrophobicContact CD2-CD1 3.74Å; W656-Y687 AromaticContact CD2-CE1 3.75Å; W656-Y687 HydrophobicContact CD2-CE1 3.75Å; W656-Y687 AromaticContact CE3-CD1 3.6Å; W656-Y687 HydrophobicContact CE3-CD1 3.6Å; W656-Y687 HydrophobicContact CE3-CE1 4.07Å; W656-Y687 HydrophobicContact CG-CD1 4.29Å; W656-Y687 AromaticContact CG-CE1 3.82Å; W656-Y687 HydrophobicContact CG-CE1 3.82Å; W656-Y687 HydrophobicContact CH2-CD1 4.32Å; W656-Y687 HydrophobicContact CZ2-CD1 4.45Å; W656-Y687 AromaticContact CZ3-CD1 3.91Å; W656-Y687 HydrophobicContact CZ3-CD1 3.91Å; W656-K690 HydrophobicContact CZ3-CG 4.2Å; W656-L693 HydrophobicContact CD2-CD1 4.21Å; W656-L693 HydrophobicContact CE3-CD1 4.11Å; W656-L693 HydrophobicContact CZ3-CD1 4.4Å; W656-L693 HydrophobicContact CZ3-CD2 4.41Å; W656-F720 AromaticContact CD1-CE1 3.9Å; W656-F720 AromaticContact CD1-CZ 3.98Å; W656-F720 AromaticContact NE1-CE1 3.68Å; W656-F720 AromaticContact NE1-CZ 3.45Å; W656-A724 HydrophobicContact CH2-CB 4.04Å; W656-A724 HydrophobicContact CZ2-CB 3.57Å
657	E	92.5	Very high	81.9	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.047	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	35.1	179.2	-49.7	-178.4	145.1	0	0	110.1	N653 I660 R669 W682 K686	N653-E657 HydrophobicContact CB-CB 4.4Å; N653-E657 HydrophobicContact CB-CG 4.26Å; N653-E657 VanDerWaalsContact CB-OE2 3.31Å; N653-E657 WeakPolarHBondContact CB-OE2 3.43Å; N653-E657 PolarHBondContact ND2-OE2 2.75Å; N653-E657 VanDerWaalsContact ND2-OE2 3.11Å; N653-E657 CarbonylContact O-C 3.59Å; N653-E657 VanDerWaalsContact O-CA 3.3Å; N653-E657 WeakPolarHBondContact O-CA 3.33Å; N653-E657 WeakPolarHBondContact O-CB 3.37Å; N653-E657 PolarHBondContact O-N 2.76Å; N653-E657 PolarHBondContact OD1-OE2 2.8Å; E657-I660 HydrophobicContact CB-CD1 4.19Å; E657-I660 HydrophobicContact CB-CG1 4.27Å; E657-I660 WeakPolarHBondContact O-CG1 3.35Å; E657-R669 IonicContact OE1-NE 3.41Å; E657-R669 IonicContact OE2-CZ 2.7Å; E657-R669 IonicContact OE2-NE 2.8Å; E657-R669 PolarHBondContact OE2-NE 2.7Å; E657-R669 IonicContact OE2-NH1 3.2Å; E657-R669 IonicContact OE2-NH2 3.91Å; E657-R669 PolarHBondContact OE2-NH2 3.08Å; E657-W682 HydrophobicContact CG-CZ2 4.36Å; E657-W682 WeakPolarHBondContact OE1-CZ2 3.44Å; E657-W682 PolarHBondContact OE1-NE1 3.43Å; E657-K686 VanDerWaalsContact CD-NZ 3.28Å; E657-K686 HydrophobicContact CG-CD 3.97Å; E657-K686 VanDerWaalsContact CG-CE 3.43Å; E657-K686 HydrophobicContact CG-CG 4.47Å; E657-K686 WeakPolarHBondContact OE1-CD 3.49Å; E657-K686 VanDerWaalsContact OE1-CE 3.23Å; E657-K686 WeakPolarHBondContact OE1-CE 3.38Å; E657-K686 IonicContact OE1-NZ 3.44Å; E657-K686 PolarHBondContact OE1-NZ 3.41Å; E657-K686 IonicContact OE2-NZ 3.97Å
658	F	90.5	Very high	80.1	Confident	140 Å²	140	62.3 Å²	62.3	61%	0.614	32%	0.316	S	S	*	.	S	Bend	trans	-69.9	-54.3	-175.6	178	-93.1	0	0	0	111.8	S654 F692 A694	S654-F658 WeakPolarHBondContact O-CD2 3.39Å; F658-F692 PolarHBondContact N-O 3Å; F658-A694 HydrophobicContact CB-CB 3.59Å; F658-A694 HydrophobicContact CD1-CB 4Å; F658-A694 HydrophobicContact CD2-CB 3.94Å; F658-A694 HydrophobicContact CG-CB 3.57Å
659	D	84	Confident	78.6	Confident	101 Å²	101	65 Å²	65	54%	0.54	33%	0.326	S	S	.	.			trans	-110	84.5	175.7	-168.2	8.7	0	0	0	110.5	G661 F692	D659-G661 PolarHBondContact O-N 2.83Å; D659-G661 WeakPolarHBondContact OD1-CA 3.36Å; D659-G661 PolarHBondContact OD1-N 2.93Å; D659-F692 PolarHBondContact N-O 3.49Å; D659-F692 WeakPolarHBondContact O-CA 3.33Å; D659-F692 WeakPolarHBondContact O-CB 3.31Å
660	I	81.7	Confident	76.7	Confident	27 Å²	27	70.5 Å²	70.5	14%	0.138	35%	0.35	C	S	.	.			trans	-68.8	-19.1	171.9	-59.8	178	0	0	0	110.1	E657 S662 N665 W682	E657-I660 HydrophobicContact CB-CD1 4.19Å; E657-I660 HydrophobicContact CB-CG1 4.27Å; E657-I660 WeakPolarHBondContact O-CG1 3.35Å; I660-S662 PolarHBondContact O-N 3.08Å; I660-N665 HydrophobicContact CG2-CB 3.59Å; I660-N665 WeakPolarHBondContact O-CB 3.41Å; I660-N665 PolarHBondContact O-ND2 2.85Å; I660-W682 HydrophobicContact CD1-CH2 4.47Å; I660-W682 HydrophobicContact CG1-CH2 4.44Å; I660-W682 HydrophobicContact CG2-CH2 4.29Å
661	G	59.9	Low	74.5	Confident	65 Å²	65	68.6 Å²	68.6	67%	0.67	35%	0.347	S	S	*	.			trans	67.8	-31.4	165.1	0	0	0	0	0	118.1	D659	D659-G661 PolarHBondContact O-N 2.83Å; D659-G661 WeakPolarHBondContact OD1-CA 3.36Å; D659-G661 PolarHBondContact OD1-N 2.93Å
662	S	61.7	Low	72.5	Confident	45 Å²	45	71.3 Å²	71.3	32%	0.315	37%	0.367	S	S	.	.	S	Bend	trans	-146.1	155	-172	83.8	0	0	0	0	113.5	I660 E664 N665 S666	I660-S662 PolarHBondContact O-N 3.08Å; S662-E664 PolarHBondContact O-N 3.07Å; S662-E664 PolarHBondContact OG-N 2.6Å; S662-N665 PolarHBondContact O-N 2.94Å; S662-N665 WeakPolarHBondContact OG-CB 3.36Å; S662-N665 PolarHBondContact OG-N 2.97Å; S662-N665 PolarHBondContact OG-ND2 2.96Å; S662-N665 PolarHBondContact OG-OD1 3.41Å; S662-S666 PolarHBondContact O-N 3.08Å; S662-S666 VanDerWaalsContact O-N 3.1Å
663	R	55.7	Low	70.5	Confident	216 Å²	216	74.8 Å²	74.8	82%	0.815	39%	0.389	S	S	*	.	H	α-helix	trans	-65.6	-17.1	173.7	-140	178.8	-176	-170.3	1.3	112.6	R667	R663-R667 WeakPolarHBondContact O-CG 3.26Å; R663-R667 PolarHBondContact O-N 3.2Å
664	E	59.6	Low	69	Low	140 Å²	140	74.7 Å²	74.7	65%	0.654	39%	0.388	S	S	*	.	H	α-helix	trans	-84.4	-47.8	-180	-172.4	156.3	-145.8	0	0	111.1	S662 S666 R667 L668	S662-E664 PolarHBondContact O-N 3.07Å; S662-E664 PolarHBondContact OG-N 2.6Å; E664-S666 VanDerWaalsContact C-N 3.26Å; E664-S666 PolarHBondContact O-N 3.23Å; E664-R667 WeakPolarHBondContact O-CA 3.48Å; E664-R667 WeakPolarHBondContact O-CB 3.4Å; E664-R667 PolarHBondContact O-N 3.39Å; E664-L668 PolarHBondContact O-N 3.23Å; E664-L668 VanDerWaalsContact O-N 3.13Å
665	N	61.2	Low	68	Low	40 Å²	40	77.2 Å²	77.2	21%	0.214	39%	0.392	C	S	.	.	H	α-helix	trans	-60.6	-38.4	171.6	-63.9	-10.2	0	0	0	111.1	I660 S662 R667 L668 R669 W682 F692	I660-N665 HydrophobicContact CG2-CB 3.59Å; I660-N665 WeakPolarHBondContact O-CB 3.41Å; I660-N665 PolarHBondContact O-ND2 2.85Å; S662-N665 PolarHBondContact O-N 2.94Å; S662-N665 WeakPolarHBondContact OG-CB 3.36Å; S662-N665 PolarHBondContact OG-N 2.97Å; S662-N665 PolarHBondContact OG-ND2 2.96Å; S662-N665 PolarHBondContact OG-OD1 3.41Å; N665-R667 VanDerWaalsContact C-N 3.28Å; N665-R667 PolarHBondContact O-N 2.92Å; N665-L668 WeakPolarHBondContact O-CB 3.47Å; N665-L668 PolarHBondContact O-N 3.18Å; N665-L668 VanDerWaalsContact O-N 3.13Å; N665-R669 PolarHBondContact O-N 3.33Å; N665-W682 HydrophobicContact CB-CZ3 4.28Å; N665-W682 WeakPolarHBondContact O-CZ3 3.33Å; N665-F692 HydrophobicContact CB-CE1 4.26Å
666	S	60	Low	67.4	Low	45 Å²	45	83.7 Å²	83.7	32%	0.315	42%	0.415	S	S	.	.	H	α-helix	trans	-60.1	-35.2	173	-166.4	0	0	0	0	112.8	S662 E664 R669 F670	S662-S666 PolarHBondContact O-N 3.08Å; S662-S666 VanDerWaalsContact O-N 3.1Å; E664-S666 VanDerWaalsContact C-N 3.26Å; E664-S666 PolarHBondContact O-N 3.23Å; S666-R669 PolarHBondContact O-N 3.29Å; S666-F670 WeakPolarHBondContact O-CB 3.5Å; S666-F670 VanDerWaalsContact O-CD2 3.24Å; S666-F670 WeakPolarHBondContact O-CD2 3.36Å; S666-F670 PolarHBondContact O-N 3.13Å
667	R	57.3	Low	66.8	Low	165 Å²	165	88.8 Å²	88.8	62%	0.623	44%	0.439	S	S	*	.	H	α-helix	trans	-68.3	-39	173.7	-73.7	167.5	171.9	172.5	-3.7	112.1	R663 E664 N665 R669 F670 T671	R663-R667 WeakPolarHBondContact O-CG 3.26Å; R663-R667 PolarHBondContact O-N 3.2Å; E664-R667 WeakPolarHBondContact O-CA 3.48Å; E664-R667 WeakPolarHBondContact O-CB 3.4Å; E664-R667 PolarHBondContact O-N 3.39Å; N665-R667 VanDerWaalsContact C-N 3.28Å; N665-R667 PolarHBondContact O-N 2.92Å; R667-R669 PolarHBondContact O-N 3.13Å; R667-F670 PolarHBondContact O-N 3.35Å; R667-T671 PolarHBondContact O-OG1 3.1Å
668	L	58.7	Low	66.4	Low	50 Å²	50	89.7 Å²	89.7	26%	0.262	45%	0.446	S	S	.	.	H	α-helix	trans	-59.7	-24.4	175.3	-65.3	174.1	0	0	0	112.9	E664 N665 L674 T678 W682	E664-L668 PolarHBondContact O-N 3.23Å; E664-L668 VanDerWaalsContact O-N 3.13Å; N665-L668 WeakPolarHBondContact O-CB 3.47Å; N665-L668 PolarHBondContact O-N 3.18Å; N665-L668 VanDerWaalsContact O-N 3.13Å; L668-L674 WeakPolarHBondContact O-CD1 3.32Å; L668-T678 HydrophobicContact CD2-CG2 3.54Å; L668-W682 HydrophobicContact CB-CD2 4.42Å; L668-W682 HydrophobicContact CB-CE3 3.56Å; L668-W682 HydrophobicContact CB-CZ3 4.09Å
669	R	62.9	Low	66.3	Low	57 Å²	57	83.9 Å²	83.9	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-85.6	-36.4	174.6	-166.9	177.9	178.8	-151.5	0	114.2	E657 N665 S666 R667 W682	E657-R669 IonicContact OE1-NE 3.41Å; E657-R669 IonicContact OE2-CZ 2.7Å; E657-R669 IonicContact OE2-NE 2.8Å; E657-R669 PolarHBondContact OE2-NE 2.7Å; E657-R669 IonicContact OE2-NH1 3.2Å; E657-R669 IonicContact OE2-NH2 3.91Å; E657-R669 PolarHBondContact OE2-NH2 3.08Å; N665-R669 PolarHBondContact O-N 3.33Å; S666-R669 PolarHBondContact O-N 3.29Å; R667-R669 PolarHBondContact O-N 3.13Å; R669-W682 HydrophobicContact CB-CD2 4.49Å; R669-W682 HydrophobicContact CB-CH2 3.83Å; R669-W682 HydrophobicContact CB-CZ2 3.67Å; R669-W682 HydrophobicContact CB-CZ3 4.28Å; R669-W682 HydrophobicContact CG-CH2 4.28Å; R669-W682 HydrophobicContact CG-CZ2 3.69Å
670	F	55.8	Low	66.6	Low	118 Å²	118	81 Å²	81	52%	0.518	40%	0.404	S	S	.	.	H	α-helix	trans	-116.7	10.7	-155.2	-71.6	-56.8	0	0	0	118.4	S666 R667 P672	S666-F670 WeakPolarHBondContact O-CB 3.5Å; S666-F670 VanDerWaalsContact O-CD2 3.24Å; S666-F670 WeakPolarHBondContact O-CD2 3.36Å; S666-F670 PolarHBondContact O-N 3.13Å; R667-F670 PolarHBondContact O-N 3.35Å; F670-P672 VanDerWaalsContact C-CD 3.45Å; F670-P672 VanDerWaalsContact O-CD 3.23Å; F670-P672 WeakPolarHBondContact O-CD 3.4Å
671	T	50.3	Low	67	Low	84 Å²	84	85.3 Å²	85.3	52%	0.515	42%	0.423	S	S	.	.			trans	-113.2	79.6	173.5	40.4	0	0	0	0	114.6	R667 P673 L674	R667-T671 PolarHBondContact O-OG1 3.1Å; T671-P673 CarbonylContact O-C 3.59Å; T671-P673 VanDerWaalsContact O-C 3.23Å; T671-L674 WeakPolarHBondContact O-CD2 3.44Å; T671-L674 VanDerWaalsContact O-CG 3.32Å; T671-L674 WeakPolarHBondContact O-CG 3.45Å; T671-L674 PolarHBondContact O-N 3.48Å; T671-L674 VanDerWaalsContact O-N 3.08Å
672	P	54.5	Low	68.5	Low	94 Å²	94	82.3 Å²	82.3	61%	0.61	39%	0.392	S	S	*	.	S	Bend	trans	-58.1	129.6	162.7	-20.8	32.7	0	0	0	110.8	F670	F670-P672 VanDerWaalsContact C-CD 3.45Å; F670-P672 VanDerWaalsContact O-CD 3.23Å; F670-P672 WeakPolarHBondContact O-CD 3.4Å
673	P	53.9	Low	70	Confident	72 Å²	72	80.2 Å²	80.2	47%	0.468	38%	0.377	S	S	.	.	S	Bend	cis	-89.2	111.7	3.8	37.7	-29.1	0	0	0	110.5	N497 T671 F675	N497-P673 HydrophobicContact CB-CB 4.1Å; N497-P673 HydrophobicContact CB-CG 3.61Å; N497-P673 VanDerWaalsContact ND2-CD 3.33Å; N497-P673 WeakPolarHBondContact ND2-CD 3.24Å; N497-P673 WeakPolarHBondContact ND2-CG 3.37Å; T671-P673 CarbonylContact O-C 3.59Å; T671-P673 VanDerWaalsContact O-C 3.23Å; P673-F675 PolarHBondContact O-N 3.33Å
674	L	64.2	Low	71.8	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.099	35%	0.35	C	S	.	.			trans	-68.4	129.6	165.8	-63.1	167.5	0	0	0	107.8	L668 T671 T678 K679	L668-L674 WeakPolarHBondContact O-CD1 3.32Å; T671-L674 WeakPolarHBondContact O-CD2 3.44Å; T671-L674 VanDerWaalsContact O-CG 3.32Å; T671-L674 WeakPolarHBondContact O-CG 3.45Å; T671-L674 PolarHBondContact O-N 3.48Å; T671-L674 VanDerWaalsContact O-N 3.08Å; L674-T678 HydrophobicContact CD2-CG2 4Å; L674-K679 HydrophobicContact CB-CD 4.46Å; L674-K679 HydrophobicContact CB-CG 3.67Å; L674-K679 HydrophobicContact CD1-CG 4.4Å; L674-K679 VanDerWaalsContact O-CE 3.28Å; L674-K679 WeakPolarHBondContact O-CE 3.3Å
675	F	73.9	Confident	73.3	Confident	116 Å²	116	67 Å²	67	51%	0.509	32%	0.323	S	S	.	.			trans	-57	156.6	171.6	-65.5	-81.1	0	0	0	110.3	P673 E677 T678 K679	P673-F675 PolarHBondContact O-N 3.33Å; F675-E677 PolarHBondContact O-N 3Å; F675-T678 PolarHBondContact O-N 3.38Å; F675-T678 VanDerWaalsContact O-N 3.14Å; F675-K679 PolarHBondContact O-N 3.04Å
676	R	82.6	Confident	74.8	Confident	145 Å²	145	65.1 Å²	65.1	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-37.9	-176.1	176.6	-177.8	176	166.7	0.7	111.1	K679 E680	R676-K679 PolarHBondContact O-N 3.48Å; R676-E680 WeakPolarHBondContact O-CB 3.42Å; R676-E680 PolarHBondContact O-N 3.16Å
677	E	82.8	Confident	76.5	Confident	115 Å²	115	63.2 Å²	63.2	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-44.9	-179.3	-61.6	63.2	-138	0	0	110.3	F675 E680 Q681	F675-E677 PolarHBondContact O-N 3Å; E677-E680 PolarHBondContact O-N 3.32Å; E677-Q681 WeakPolarHBondContact O-CG 3.33Å; E677-Q681 PolarHBondContact O-N 2.9Å
678	T	84	Confident	78.3	Confident	30 Å²	30	59.1 Å²	59.1	18%	0.184	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-39.5	174.9	-43.7	0	0	0	0	111.8	L668 L674 F675 E680 Q681 W682	L668-T678 HydrophobicContact CD2-CG2 3.54Å; L674-T678 HydrophobicContact CD2-CG2 4Å; F675-T678 PolarHBondContact O-N 3.38Å; F675-T678 VanDerWaalsContact O-N 3.14Å; T678-E680 VanDerWaalsContact C-N 3.33Å; T678-Q681 PolarHBondContact O-N 2.76Å; T678-W682 WeakPolarHBondContact O-CB 3.37Å; T678-W682 PolarHBondContact O-N 2.75Å
679	K	87.7	Confident	79.8	Confident	17 Å²	17	61.4 Å²	61.4	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-39.4	172.3	-68.3	-173.6	-179	-169.2	0	111.6	C594 I617 L674 F675 R676 W682 I683	C594-K679 HydrophobicContact CB-CD 4.47Å; I617-K679 HydrophobicContact CD1-CB 3.54Å; L674-K679 HydrophobicContact CB-CD 4.46Å; L674-K679 HydrophobicContact CB-CG 3.67Å; L674-K679 HydrophobicContact CD1-CG 4.4Å; L674-K679 VanDerWaalsContact O-CE 3.28Å; L674-K679 WeakPolarHBondContact O-CE 3.3Å; F675-K679 PolarHBondContact O-N 3.04Å; R676-K679 PolarHBondContact O-N 3.48Å; K679-W682 PolarHBondContact O-N 3.07Å; K679-I683 VanDerWaalsContact O-CB 3.27Å; K679-I683 WeakPolarHBondContact O-CB 3.5Å; K679-I683 WeakPolarHBondContact O-CD1 3.33Å; K679-I683 VanDerWaalsContact O-CG1 3.23Å; K679-I683 WeakPolarHBondContact O-CG1 3.49Å; K679-I683 PolarHBondContact O-N 2.83Å
680	E	90.9	Very high	81.3	Confident	42 Å²	42	62.4 Å²	62.4	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-42.3	178.1	-178.4	157.4	175.1	0	0	111.5	I617 R676 E677 T678 I683 R684	I617-E680 HydrophobicContact CD1-CB 4.24Å; I617-E680 HydrophobicContact CG1-CB 4.44Å; I617-E680 HydrophobicContact CG2-CB 3.98Å; I617-E680 HydrophobicContact CG2-CG 3.93Å; R676-E680 WeakPolarHBondContact O-CB 3.42Å; R676-E680 PolarHBondContact O-N 3.16Å; E677-E680 PolarHBondContact O-N 3.32Å; T678-E680 VanDerWaalsContact C-N 3.33Å; E680-I683 PolarHBondContact O-N 3.44Å; E680-R684 HydrophobicContact CG-CG 4.34Å; E680-R684 WeakPolarHBondContact O-CB 3.05Å; E680-R684 VanDerWaalsContact O-CG 3.24Å; E680-R684 WeakPolarHBondContact O-CG 3.32Å; E680-R684 PolarHBondContact O-N 2.95Å; E680-R684 IonicContact OE1-CZ 2.69Å; E680-R684 VanDerWaalsContact OE1-CZ 3.3Å; E680-R684 IonicContact OE1-NE 3.25Å; E680-R684 PolarHBondContact OE1-NE 3.45Å; E680-R684 IonicContact OE1-NH2 3.21Å; E680-R684 PolarHBondContact OE1-NH2 3.49Å
681	Q	89.9	Confident	83	Confident	117 Å²	117	61.9 Å²	61.9	55%	0.547	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-50	171.3	-71.7	166.5	-0.3	0	0	111.7	E677 T678 I683 R684 A685	E677-Q681 WeakPolarHBondContact O-CG 3.33Å; E677-Q681 PolarHBondContact O-N 2.9Å; T678-Q681 PolarHBondContact O-N 2.76Å; Q681-I683 PolarHBondContact O-N 3.05Å; Q681-R684 PolarHBondContact O-N 3.43Å; Q681-A685 VanDerWaalsContact O-CB 3.3Å; Q681-A685 WeakPolarHBondContact O-CB 3.37Å; Q681-A685 PolarHBondContact O-N 3.25Å
682	W	90.3	Very high	84.9	Confident	2 Å²	2	58 Å²	58	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-47.8	177.7	-179.9	-104	0	0	0	112.6	D593 E657 I660 N665 L668 R669 T678 K679 R684 A685 K686 F692	D593-W682 PolarHBondContact O-NE1 3.12Å; E657-W682 HydrophobicContact CG-CZ2 4.36Å; E657-W682 WeakPolarHBondContact OE1-CZ2 3.44Å; E657-W682 PolarHBondContact OE1-NE1 3.43Å; I660-W682 HydrophobicContact CD1-CH2 4.47Å; I660-W682 HydrophobicContact CG1-CH2 4.44Å; I660-W682 HydrophobicContact CG2-CH2 4.29Å; N665-W682 HydrophobicContact CB-CZ3 4.28Å; N665-W682 WeakPolarHBondContact O-CZ3 3.33Å; L668-W682 HydrophobicContact CB-CD2 4.42Å; L668-W682 HydrophobicContact CB-CE3 3.56Å; L668-W682 HydrophobicContact CB-CZ3 4.09Å; R669-W682 HydrophobicContact CB-CD2 4.49Å; R669-W682 HydrophobicContact CB-CH2 3.83Å; R669-W682 HydrophobicContact CB-CZ2 3.67Å; R669-W682 HydrophobicContact CB-CZ3 4.28Å; R669-W682 HydrophobicContact CG-CH2 4.28Å; R669-W682 HydrophobicContact CG-CZ2 3.69Å; T678-W682 WeakPolarHBondContact O-CB 3.37Å; T678-W682 PolarHBondContact O-N 2.75Å; K679-W682 PolarHBondContact O-N 3.07Å; W682-R684 PolarHBondContact O-N 3.47Å; W682-A685 PolarHBondContact O-N 3.13Å; W682-K686 WeakPolarHBondContact O-CB 3.21Å; W682-K686 PolarHBondContact O-N 2.9Å; W682-F692 HydrophobicContact CD2-CE2 4.26Å; W682-F692 AromaticContact CE3-CE2 3.78Å; W682-F692 HydrophobicContact CE3-CE2 3.78Å; W682-F692 HydrophobicContact CE3-CZ 4.01Å; W682-F692 AromaticContact CH2-CD2 3.88Å; W682-F692 HydrophobicContact CH2-CD2 3.88Å; W682-F692 AromaticContact CH2-CE2 3.58Å; W682-F692 HydrophobicContact CH2-CE2 3.58Å; W682-F692 HydrophobicContact CH2-CZ 4.07Å; W682-F692 HydrophobicContact CZ2-CD2 4.23Å; W682-F692 HydrophobicContact CZ2-CE2 4.06Å; W682-F692 HydrophobicContact CZ3-CD2 4.2Å; W682-F692 HydrophobicContact CZ3-CE1 4.4Å; W682-F692 AromaticContact CZ3-CE2 3.42Å; W682-F692 HydrophobicContact CZ3-CE2 3.42Å; W682-F692 VanDerWaalsContact CZ3-CE2 3.42Å; W682-F692 AromaticContact CZ3-CZ 3.55Å; W682-F692 HydrophobicContact CZ3-CZ 3.55Å
683	I	93.7	Very high	86.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-36.4	-177.9	-74.2	167.5	0	0	0	111.5	D593 C614 I617 L621 K679 E680 Q681 Y687	D593-I683 HydrophobicContact CB-CD1 4.11Å; D593-I683 HydrophobicContact CB-CG1 3.87Å; C614-I683 HydrophobicContact CB-CD1 3.9Å; I617-I683 HydrophobicContact CB-CD1 4.01Å; I617-I683 HydrophobicContact CD1-CD1 3.89Å; I617-I683 HydrophobicContact CG2-CB 4Å; I617-I683 HydrophobicContact CG2-CD1 3.94Å; I617-I683 HydrophobicContact CG2-CG2 3.72Å; L621-I683 HydrophobicContact CD1-CG2 3.81Å; L621-I683 HydrophobicContact CD2-CG2 4.41Å; L621-I683 HydrophobicContact CG-CG2 4.41Å; K679-I683 VanDerWaalsContact O-CB 3.27Å; K679-I683 WeakPolarHBondContact O-CB 3.5Å; K679-I683 WeakPolarHBondContact O-CD1 3.33Å; K679-I683 VanDerWaalsContact O-CG1 3.23Å; K679-I683 WeakPolarHBondContact O-CG1 3.49Å; K679-I683 PolarHBondContact O-N 2.83Å; E680-I683 PolarHBondContact O-N 3.44Å; Q681-I683 PolarHBondContact O-N 3.05Å; I683-Y687 HydrophobicContact CG2-CD2 4.11Å; I683-Y687 WeakPolarHBondContact O-CD2 3.23Å; I683-Y687 PolarHBondContact O-N 3.21Å
684	R	93.4	Very high	88.7	Confident	69 Å²	69	51.4 Å²	51.4	26%	0.26	24%	0.237	S	C	.	.	H	α-helix	trans	-69.1	-48.5	173.1	-70.5	-177.7	-179.4	-83.4	2.1	111.7	L621 E680 Q681 W682 K686 Y687 E688 N689	L621-R684 HydrophobicContact CD2-CG 3.73Å; E680-R684 HydrophobicContact CG-CG 4.34Å; E680-R684 WeakPolarHBondContact O-CB 3.05Å; E680-R684 VanDerWaalsContact O-CG 3.24Å; E680-R684 WeakPolarHBondContact O-CG 3.32Å; E680-R684 PolarHBondContact O-N 2.95Å; E680-R684 IonicContact OE1-CZ 2.69Å; E680-R684 VanDerWaalsContact OE1-CZ 3.3Å; E680-R684 IonicContact OE1-NE 3.25Å; E680-R684 PolarHBondContact OE1-NE 3.45Å; E680-R684 IonicContact OE1-NH2 3.21Å; E680-R684 PolarHBondContact OE1-NH2 3.49Å; Q681-R684 PolarHBondContact O-N 3.43Å; W682-R684 PolarHBondContact O-N 3.47Å; R684-K686 VanDerWaalsContact C-N 3.27Å; R684-K686 PolarHBondContact O-N 2.99Å; R684-Y687 PolarHBondContact O-N 3.34Å; R684-E688 HydrophobicContact CB-CB 4.39Å; R684-E688 WeakPolarHBondContact CD-OE2 3.49Å; R684-E688 WeakPolarHBondContact CG-OE2 3.43Å; R684-E688 IonicContact CZ-OE2 3.84Å; R684-E688 IonicContact NE-OE2 3.85Å; R684-E688 IonicContact NH1-OE1 2.85Å; R684-E688 PolarHBondContact NH1-OE1 3.36Å; R684-E688 IonicContact NH1-OE2 2.71Å; R684-E688 PolarHBondContact NH1-OE2 3.14Å; R684-E688 WeakPolarHBondContact O-CA 3.47Å; R684-E688 VanDerWaalsContact O-CB 3.3Å; R684-E688 WeakPolarHBondContact O-CB 3.12Å; R684-E688 PolarHBondContact O-N 3.44Å; R684-N689 PolarHBondContact O-N 3.32Å
685	A	91.9	Very high	89.9	Confident	9 Å²	9	54 Å²	54	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-53	-46.3	174.5	0	0	0	0	0	111.7	Q681 W682 K690 E691 F692	Q681-A685 VanDerWaalsContact O-CB 3.3Å; Q681-A685 WeakPolarHBondContact O-CB 3.37Å; Q681-A685 PolarHBondContact O-N 3.25Å; W682-A685 PolarHBondContact O-N 3.13Å; A685-K690 PolarHBondContact O-N 3.43Å; A685-E691 WeakPolarHBondContact CA-OE1 3.17Å; A685-E691 HydrophobicContact CB-CG 4.46Å; A685-E691 WeakPolarHBondContact CB-OE1 3.27Å; A685-E691 PolarHBondContact O-N 3.35Å; A685-F692 HydrophobicContact CB-CE2 3.91Å; A685-F692 HydrophobicContact CB-CZ 3.78Å
686	K	93.3	Very high	90.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-51.1	-179.9	-174.4	175.3	177.4	-178.9	0	113.8	A592 D593 N653 W656 E657 W682 R684 K690 F692	A592-K686 PolarHBondContact O-NZ 2.86Å; A592-K686 VanDerWaalsContact O-NZ 3.1Å; D593-K686 IonicContact OD1-NZ 3.69Å; D593-K686 PolarHBondContact OD1-NZ 3.27Å; N653-K686 PolarHBondContact OD1-NZ 3.2Å; W656-K686 HydrophobicContact CB-CG 4.22Å; W656-K686 VanDerWaalsContact CE3-O 3.27Å; E657-K686 VanDerWaalsContact CD-NZ 3.28Å; E657-K686 HydrophobicContact CG-CD 3.97Å; E657-K686 VanDerWaalsContact CG-CE 3.43Å; E657-K686 HydrophobicContact CG-CG 4.47Å; E657-K686 WeakPolarHBondContact OE1-CD 3.49Å; E657-K686 VanDerWaalsContact OE1-CE 3.23Å; E657-K686 WeakPolarHBondContact OE1-CE 3.38Å; E657-K686 IonicContact OE1-NZ 3.44Å; E657-K686 PolarHBondContact OE1-NZ 3.41Å; E657-K686 IonicContact OE2-NZ 3.97Å; W682-K686 WeakPolarHBondContact O-CB 3.21Å; W682-K686 PolarHBondContact O-N 2.9Å; R684-K686 VanDerWaalsContact C-N 3.27Å; R684-K686 PolarHBondContact O-N 2.99Å; K686-K690 WeakPolarHBondContact O-CA 3.43Å; K686-F692 HydrophobicContact CB-CD2 4.24Å; K686-F692 HydrophobicContact CB-CE2 4.31Å
687	Y	95.4	Very high	90.4	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-110.8	-29	-168.2	-60.2	-64.1	0	0	0	115.9	D593 L606 H618 W656 I683 R684	D593-Y687 VanDerWaalsContact OD1-CE2 3.3Å; D593-Y687 WeakPolarHBondContact OD1-CE2 3.47Å; D593-Y687 PolarHBondContact OD1-OH 3.04Å; L606-Y687 HydrophobicContact CB-CE1 4.46Å; L606-Y687 HydrophobicContact CD1-CD1 3.73Å; L606-Y687 HydrophobicContact CD1-CD2 4.25Å; L606-Y687 HydrophobicContact CD1-CE1 3.74Å; L606-Y687 HydrophobicContact CD1-CE2 4.25Å; L606-Y687 HydrophobicContact CD1-CG 3.98Å; L606-Y687 HydrophobicContact CD2-CD1 3.92Å; L606-Y687 HydrophobicContact CD2-CE1 4.16Å; L606-Y687 HydrophobicContact CG-CD1 4.4Å; L606-Y687 HydrophobicContact CG-CE1 4.34Å; H618-Y687 AromaticContact CE1-CD2 3.63Å; H618-Y687 AromaticContact CE1-CE2 3.3Å; H618-Y687 WeakPolarHBondContact CE1-CE2 3.24Å; H618-Y687 AromaticContact NE2-CD2 3.86Å; H618-Y687 AromaticContact NE2-CE2 3.44Å; H618-Y687 WeakPolarHBondContact NE2-CE2 3.21Å; W656-Y687 HydrophobicContact CB-CE1 4.2Å; W656-Y687 AromaticContact CD2-CD1 3.74Å; W656-Y687 HydrophobicContact CD2-CD1 3.74Å; W656-Y687 AromaticContact CD2-CE1 3.75Å; W656-Y687 HydrophobicContact CD2-CE1 3.75Å; W656-Y687 AromaticContact CE3-CD1 3.6Å; W656-Y687 HydrophobicContact CE3-CD1 3.6Å; W656-Y687 HydrophobicContact CE3-CE1 4.07Å; W656-Y687 HydrophobicContact CG-CD1 4.29Å; W656-Y687 AromaticContact CG-CE1 3.82Å; W656-Y687 HydrophobicContact CG-CE1 3.82Å; W656-Y687 HydrophobicContact CH2-CD1 4.32Å; W656-Y687 HydrophobicContact CZ2-CD1 4.45Å; W656-Y687 AromaticContact CZ3-CD1 3.91Å; W656-Y687 HydrophobicContact CZ3-CD1 3.91Å; I683-Y687 HydrophobicContact CG2-CD2 4.11Å; I683-Y687 WeakPolarHBondContact O-CD2 3.23Å; I683-Y687 PolarHBondContact O-N 3.21Å; R684-Y687 PolarHBondContact O-N 3.34Å
688	E	93.6	Very high	89.4	Confident	79 Å²	79	49.2 Å²	49.2	37%	0.369	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-50	179.8	-173.9	171.6	-144.6	0	0	110.2	I625 R684	I625-E688 HydrophobicContact CD1-CB 4.11Å; I625-E688 HydrophobicContact CD1-CG 3.92Å; R684-E688 HydrophobicContact CB-CB 4.39Å; R684-E688 WeakPolarHBondContact CD-OE2 3.49Å; R684-E688 WeakPolarHBondContact CG-OE2 3.43Å; R684-E688 IonicContact CZ-OE2 3.84Å; R684-E688 IonicContact NE-OE2 3.85Å; R684-E688 IonicContact NH1-OE1 2.85Å; R684-E688 PolarHBondContact NH1-OE1 3.36Å; R684-E688 IonicContact NH1-OE2 2.71Å; R684-E688 PolarHBondContact NH1-OE2 3.14Å; R684-E688 WeakPolarHBondContact O-CA 3.47Å; R684-E688 VanDerWaalsContact O-CB 3.3Å; R684-E688 WeakPolarHBondContact O-CB 3.12Å; R684-E688 PolarHBondContact O-N 3.44Å
689	N	91.9	Very high	88.7	Confident	98 Å²	98	50 Å²	50	52%	0.524	28%	0.281	S	S	.	.	S	Bend	trans	-85.4	-21	178.5	-57.4	-12.9	0	0	0	113.1	R684 E691	R684-N689 PolarHBondContact O-N 3.32Å; N689-E691 VanDerWaalsContact C-N 3.3Å; N689-E691 HydrophobicContact CB-CG 3.8Å; N689-E691 WeakPolarHBondContact CB-OE1 3.42Å; N689-E691 PolarHBondContact ND2-OE1 3.33Å; N689-E691 PolarHBondContact O-N 3.01Å
690	K	93.3	Very high	88.2	Confident	78 Å²	78	57.8 Å²	57.8	34%	0.339	32%	0.323	S	S	.	.			trans	60.3	30.4	-178.1	-48.2	-173.2	176.9	-171.1	0	114.6	W656 A685 K686 F692 L693 A724	W656-K690 HydrophobicContact CZ3-CG 4.2Å; A685-K690 PolarHBondContact O-N 3.43Å; K686-K690 WeakPolarHBondContact O-CA 3.43Å; K690-F692 VanDerWaalsContact C-N 3.28Å; K690-F692 PolarHBondContact O-N 3.47Å; K690-L693 HydrophobicContact CB-CB 4.1Å; K690-L693 HydrophobicContact CB-CD2 4.06Å; K690-L693 HydrophobicContact CD-CD2 3.84Å; K690-L693 HydrophobicContact CG-CD2 4.39Å; K690-L693 WeakPolarHBondContact O-CB 3.46Å; K690-L693 PolarHBondContact O-N 3.09Å; K690-A724 PolarHBondContact NZ-O 2.98Å
691	E	90.8	Very high	87.9	Confident	106 Å²	106	58.6 Å²	58.6	50%	0.495	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.2	-169.5	-74.7	169.3	-139.6	0	0	114.7	A685 N689	A685-E691 WeakPolarHBondContact CA-OE1 3.17Å; A685-E691 HydrophobicContact CB-CG 4.46Å; A685-E691 WeakPolarHBondContact CB-OE1 3.27Å; A685-E691 PolarHBondContact O-N 3.35Å; N689-E691 VanDerWaalsContact C-N 3.3Å; N689-E691 HydrophobicContact CB-CG 3.8Å; N689-E691 WeakPolarHBondContact CB-OE1 3.42Å; N689-E691 PolarHBondContact ND2-OE1 3.33Å; N689-E691 PolarHBondContact O-N 3.01Å
692	F	91.3	Very high	87.8	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.018	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	8.9	-175.4	-33.7	-55.2	0	0	0	113.1	F658 D659 N665 W682 A685 K686 K690 A694	F658-F692 PolarHBondContact N-O 3Å; D659-F692 PolarHBondContact N-O 3.49Å; D659-F692 WeakPolarHBondContact O-CA 3.33Å; D659-F692 WeakPolarHBondContact O-CB 3.31Å; N665-F692 HydrophobicContact CB-CE1 4.26Å; W682-F692 HydrophobicContact CD2-CE2 4.26Å; W682-F692 AromaticContact CE3-CE2 3.78Å; W682-F692 HydrophobicContact CE3-CE2 3.78Å; W682-F692 HydrophobicContact CE3-CZ 4.01Å; W682-F692 AromaticContact CH2-CD2 3.88Å; W682-F692 HydrophobicContact CH2-CD2 3.88Å; W682-F692 AromaticContact CH2-CE2 3.58Å; W682-F692 HydrophobicContact CH2-CE2 3.58Å; W682-F692 HydrophobicContact CH2-CZ 4.07Å; W682-F692 HydrophobicContact CZ2-CD2 4.23Å; W682-F692 HydrophobicContact CZ2-CE2 4.06Å; W682-F692 HydrophobicContact CZ3-CD2 4.2Å; W682-F692 HydrophobicContact CZ3-CE1 4.4Å; W682-F692 AromaticContact CZ3-CE2 3.42Å; W682-F692 HydrophobicContact CZ3-CE2 3.42Å; W682-F692 VanDerWaalsContact CZ3-CE2 3.42Å; W682-F692 AromaticContact CZ3-CZ 3.55Å; W682-F692 HydrophobicContact CZ3-CZ 3.55Å; A685-F692 HydrophobicContact CB-CE2 3.91Å; A685-F692 HydrophobicContact CB-CZ 3.78Å; K686-F692 HydrophobicContact CB-CD2 4.24Å; K686-F692 HydrophobicContact CB-CE2 4.31Å; K690-F692 VanDerWaalsContact C-N 3.28Å; K690-F692 PolarHBondContact O-N 3.47Å; F692-A694 PolarHBondContact O-N 2.95Å
693	L	94	Very high	87.8	Confident	20 Å²	20	58.2 Å²	58.2	11%	0.105	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.2	128.3	-175	178.2	61	0	0	0	110.8	V655 W656 K690 A695 A724 H725	V655-L693 HydrophobicContact CG1-CD1 3.55Å; V655-L693 WeakPolarHBondContact O-CA 3.03Å; W656-L693 HydrophobicContact CD2-CD1 4.21Å; W656-L693 HydrophobicContact CE3-CD1 4.11Å; W656-L693 HydrophobicContact CZ3-CD1 4.4Å; W656-L693 HydrophobicContact CZ3-CD2 4.41Å; K690-L693 HydrophobicContact CB-CB 4.1Å; K690-L693 HydrophobicContact CB-CD2 4.06Å; K690-L693 HydrophobicContact CD-CD2 3.84Å; K690-L693 HydrophobicContact CG-CD2 4.39Å; K690-L693 WeakPolarHBondContact O-CB 3.46Å; K690-L693 PolarHBondContact O-N 3.09Å; L693-A695 PolarHBondContact O-N 2.93Å; L693-A724 HydrophobicContact CD1-CB 3.81Å; L693-A724 HydrophobicContact CD2-CB 4.2Å; L693-H725 VanDerWaalsContact CD2-CE1 3.44Å; L693-H725 WeakPolarHBondContact CD2-CE1 3.48Å
694	A	93	Very high	87.6	Confident	7 Å²	7	59.1 Å²	59.1	6%	0.058	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-51.6	133.5	176.8	0	0	0	0	0	111.8	V655 F658 F692 L721 H725	V655-A694 PolarHBondContact O-N 3.37Å; F658-A694 HydrophobicContact CB-CB 3.59Å; F658-A694 HydrophobicContact CD1-CB 4Å; F658-A694 HydrophobicContact CD2-CB 3.94Å; F658-A694 HydrophobicContact CG-CB 3.57Å; F692-A694 PolarHBondContact O-N 2.95Å; A694-L721 HydrophobicContact CB-CD1 3.71Å; A694-L721 WeakPolarHBondContact O-CD1 3.29Å; A694-H725 PolarHBondContact O-NE2 3.34Å
695	A	91.1	Very high	87.5	Confident	74 Å²	74	57 Å²	57	61%	0.612	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-67.4	140.5	174.7	0	0	0	0	0	111	L693	L693-A695 PolarHBondContact O-N 2.93Å
696	V	87.9	Confident	87.5	Confident	25 Å²	25	58.4 Å²	58.4	15%	0.152	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-66.3	137.7	169.1	-177.8	0	0	0	0	108.8	V698 L703 L706 L722 H725	V696-V698 WeakPolarHBondContact O-CG2 3.48Å; V696-V698 PolarHBondContact O-N 3.28Å; V696-L703 HydrophobicContact CG1-CD1 4.17Å; V696-L703 HydrophobicContact CG2-CD1 3.93Å; V696-L706 HydrophobicContact CG1-CD1 3.78Å; V696-L722 HydrophobicContact CG1-CD2 3.63Å; V696-L722 HydrophobicContact CG2-CD2 4.25Å; V696-H725 HydrophobicContact CG2-CB 4.22Å; V696-H725 WeakPolarHBondContact CG2-CD2 3.48Å
697	P	78.4	Confident	87.6	Confident	103 Å²	103	58.4 Å²	58.4	67%	0.669	34%	0.341	S	S	*	.			trans	-52.9	111.4	173.6	-27.5	35.9	0	0	0	111.2	G699	P697-G699 PolarHBondContact O-N 3.09Å
698	V	61.9	Low	87.4	Confident	147 Å²	147	58.1 Å²	58.1	89%	0.891	34%	0.34	S	S	*	.			trans	-78.3	111.4	-165.6	-163.9	0	0	0	0	110.6	V696	V696-V698 WeakPolarHBondContact O-CG2 3.48Å; V696-V698 PolarHBondContact O-N 3.28Å
699	G	68.9	Low	87.3	Confident	46 Å²	46	57.7 Å²	57.7	47%	0.474	34%	0.338	S	S	.	.	S	Bend	trans	-138.1	171.3	167.6	0	0	0	0	0	110.5	P697 V701	P697-G699 PolarHBondContact O-N 3.09Å; G699-V701 PolarHBondContact O-N 3.32Å
700	N	78.2	Confident	87.5	Confident	180 Å²	180	53.3 Å²	53.3	96%	0.963	32%	0.316	S	S	*	.	S	Bend	trans	-73.3	23.4	178.3	-69.1	-11.1	0	0	0	113.5
701	V	84.5	Confident	87.6	Confident	60 Å²	60	49.7 Å²	49.7	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-102	128	-174.6	-177.8	0	0	0	0	108.5	G699 E705 L706	G699-V701 PolarHBondContact O-N 3.32Å; V701-E705 HydrophobicContact CG1-CB 3.74Å; V701-E705 HydrophobicContact CG1-CG 3.83Å; V701-L706 HydrophobicContact CB-CD2 4.02Å; V701-L706 HydrophobicContact CB-CG 4.19Å; V701-L706 HydrophobicContact CG1-CD2 3.74Å; V701-L706 HydrophobicContact CG1-CG 3.84Å
702	P	87.6	Confident	87.6	Confident	71 Å²	71	46.2 Å²	46.2	46%	0.461	29%	0.287	S	S	.	.			trans	-64	144.9	-179.8	25.4	-33.1	0	0	0	111.7	T704 E705 L706	P702-T704 PolarHBondContact O-N 2.99Å; P702-T704 VanDerWaalsContact O-N 3.07Å; P702-E705 WeakPolarHBondContact CD-OE2 3.42Å; P702-E705 HydrophobicContact CG-CB 3.9Å; P702-E705 WeakPolarHBondContact O-CB 3.35Å; P702-E705 PolarHBondContact O-N 3.35Å; P702-L706 PolarHBondContact O-N 3.36Å
703	L	90	Very high	87.8	Confident	39 Å²	39	52.6 Å²	52.6	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-54	-35	-175.6	-170.1	71	0	0	0	113.4	V696 E705 L707 L722 H725 C726 M730	V696-L703 HydrophobicContact CG1-CD1 4.17Å; V696-L703 HydrophobicContact CG2-CD1 3.93Å; L703-E705 VanDerWaalsContact C-N 3.33Å; L703-E705 PolarHBondContact O-N 3.39Å; L703-L707 WeakPolarHBondContact O-CB 3.17Å; L703-L707 PolarHBondContact O-N 3.47Å; L703-L722 HydrophobicContact CD1-CD2 3.5Å; L703-L722 VanDerWaalsContact CD1-CD2 3.5Å; L703-H725 HydrophobicContact CD1-CB 4.4Å; L703-H725 HydrophobicContact CD2-CB 3.96Å; L703-C726 HydrophobicContact CD2-CB 4.46Å; L703-C726 VanDerWaalsContact CD2-SG 3.58Å; L703-M730 HydrophobicContact CD2-SD 3.89Å
704	T	89.9	Confident	87.8	Confident	20 Å²	20	56.5 Å²	56.5	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-35.9	175.4	-50.5	0	0	0	0	112.8	P702 L707 M708 A733 L735	P702-T704 PolarHBondContact O-N 2.99Å; P702-T704 VanDerWaalsContact O-N 3.07Å; T704-L707 PolarHBondContact O-N 2.76Å; T704-M708 HydrophobicContact CG2-CE 3.96Å; T704-M708 VanDerWaalsContact O-CG 3.31Å; T704-M708 WeakPolarHBondContact O-CG 3.33Å; T704-M708 PolarHBondContact O-N 2.73Å; T704-A733 HydrophobicContact CG2-CB 3.84Å; T704-L735 HydrophobicContact CG2-CD2 4.38Å
705	E	90.8	Very high	87.9	Confident	26 Å²	26	59 Å²	59	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-73.2	-45	179.4	-171.4	168.3	-174.4	0	0	110.8	V701 P702 L703 L707 M708 E709 L735	V701-E705 HydrophobicContact CG1-CB 3.74Å; V701-E705 HydrophobicContact CG1-CG 3.83Å; P702-E705 WeakPolarHBondContact CD-OE2 3.42Å; P702-E705 HydrophobicContact CG-CB 3.9Å; P702-E705 WeakPolarHBondContact O-CB 3.35Å; P702-E705 PolarHBondContact O-N 3.35Å; L703-E705 VanDerWaalsContact C-N 3.33Å; L703-E705 PolarHBondContact O-N 3.39Å; E705-L707 VanDerWaalsContact C-N 3.28Å; E705-L707 PolarHBondContact O-N 2.92Å; E705-M708 PolarHBondContact O-N 3.37Å; E705-E709 WeakPolarHBondContact O-CB 3.45Å; E705-E709 PolarHBondContact O-N 3.02Å; E705-L735 HydrophobicContact CB-CD2 3.48Å; E705-L735 VanDerWaalsContact CB-CD2 3.48Å; E705-L735 HydrophobicContact CG-CD1 4.34Å; E705-L735 HydrophobicContact CG-CD2 3.96Å
706	L	92.5	Very high	88.1	Confident	37 Å²	37	56.6 Å²	56.6	19%	0.194	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-42.3	170.6	-62.5	175.8	0	0	0	111.5	V696 V701 P702 E709 A710 L722	V696-L706 HydrophobicContact CG1-CD1 3.78Å; V701-L706 HydrophobicContact CB-CD2 4.02Å; V701-L706 HydrophobicContact CB-CG 4.19Å; V701-L706 HydrophobicContact CG1-CD2 3.74Å; V701-L706 HydrophobicContact CG1-CG 3.84Å; P702-L706 PolarHBondContact O-N 3.36Å; L706-E709 PolarHBondContact O-N 3.18Å; L706-A710 VanDerWaalsContact O-CB 3.31Å; L706-A710 WeakPolarHBondContact O-CB 3.38Å; L706-A710 PolarHBondContact O-N 2.97Å; L706-L722 HydrophobicContact CB-CD1 4.04Å; L706-L722 HydrophobicContact CB-CD2 3.82Å; L706-L722 HydrophobicContact CD1-CD2 4.28Å; L706-L722 WeakPolarHBondContact O-CD1 3.26Å
707	L	93.8	Very high	88.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-46.3	178.2	176.7	62	0	0	0	111.5	L703 T704 E705 A710 I711 V719 L722 L723 P743	L703-L707 WeakPolarHBondContact O-CB 3.17Å; L703-L707 PolarHBondContact O-N 3.47Å; T704-L707 PolarHBondContact O-N 2.76Å; E705-L707 VanDerWaalsContact C-N 3.28Å; E705-L707 PolarHBondContact O-N 2.92Å; L707-A710 PolarHBondContact O-N 3.44Å; L707-I711 HydrophobicContact CD1-CD1 4.08Å; L707-I711 HydrophobicContact CD1-CG1 4.42Å; L707-I711 HydrophobicContact CG-CD1 4.01Å; L707-I711 WeakPolarHBondContact O-CD1 3.25Å; L707-I711 WeakPolarHBondContact O-CG1 3.16Å; L707-I711 PolarHBondContact O-N 3.29Å; L707-V719 HydrophobicContact CD1-CG1 4.1Å; L707-L722 HydrophobicContact CB-CB 4.39Å; L707-L722 HydrophobicContact CD1-CB 4.13Å; L707-L723 HydrophobicContact CD1-CD2 4.04Å; L707-L723 HydrophobicContact CD1-CG 3.97Å; L707-L723 HydrophobicContact CD2-CD2 3.84Å; L707-P743 HydrophobicContact CD2-CB 4.23Å; L707-P743 HydrophobicContact CD2-CG 4.01Å
708	M	92.2	Very high	89.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-40.6	177.5	-71.3	-166.1	-174.2	0	0	112	T704 E705 I711 C712 A733 L735 R741 P743 L746	T704-M708 HydrophobicContact CG2-CE 3.96Å; T704-M708 VanDerWaalsContact O-CG 3.31Å; T704-M708 WeakPolarHBondContact O-CG 3.33Å; T704-M708 PolarHBondContact O-N 2.73Å; E705-M708 PolarHBondContact O-N 3.37Å; M708-I711 PolarHBondContact O-N 2.7Å; M708-C712 PolarHBondContact O-N 2.92Å; M708-C712 PolarHBondContact O-SG 3.38Å; M708-A733 VanDerWaalsContact CE-O 3.3Å; M708-A733 WeakPolarHBondContact CE-O 3.26Å; M708-L735 HydrophobicContact CB-CD1 4.09Å; M708-L735 HydrophobicContact CE-CG 4.3Å; M708-L735 HydrophobicContact CG-CD1 4.28Å; M708-L735 HydrophobicContact SD-CB 4.43Å; M708-L735 HydrophobicContact SD-CD1 3.44Å; M708-L735 WeakPolarHBondContact SD-CD1 3.47Å; M708-L735 HydrophobicContact SD-CG 3.51Å; M708-L735 VanDerWaalsContact SD-CG 3.51Å; M708-R741 WeakPolarHBondContact CE-O 3.41Å; M708-P743 HydrophobicContact CE-CG 3.83Å; M708-P743 HydrophobicContact CG-CG 4.3Å; M708-L746 HydrophobicContact CB-CD1 3.66Å; M708-L746 HydrophobicContact CG-CD1 3.6Å; M708-L746 HydrophobicContact SD-CD1 3.58Å; M708-L746 VanDerWaalsContact SD-CD1 3.58Å
709	E	92.3	Very high	90.9	Very high	70 Å²	70	48.1 Å²	48.1	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-45.2	174.6	-172	-174	-179	0	0	111.7	E705 L706 I711 C712 K713	E705-E709 WeakPolarHBondContact O-CB 3.45Å; E705-E709 PolarHBondContact O-N 3.02Å; L706-E709 PolarHBondContact O-N 3.18Å; E709-I711 VanDerWaalsContact C-N 3.33Å; E709-I711 PolarHBondContact O-N 3.42Å; E709-C712 PolarHBondContact O-N 3.32Å; E709-K713 HydrophobicContact CG-CD 4.31Å; E709-K713 WeakPolarHBondContact O-CG 3.49Å; E709-K713 PolarHBondContact O-N 3.04Å; E709-K713 VanDerWaalsContact OE1-CE 3.23Å; E709-K713 WeakPolarHBondContact OE1-CE 3.41Å; E709-K713 IonicContact OE1-NZ 3.9Å; E709-K713 PolarHBondContact OE1-NZ 3.49Å
710	A	94.4	Very high	92.1	Very high	7 Å²	7	46 Å²	46	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-36.9	176.4	0	0	0	0	0	112.5	L706 L707 K713 Q714 D715 V719 L722	L706-A710 VanDerWaalsContact O-CB 3.31Å; L706-A710 WeakPolarHBondContact O-CB 3.38Å; L706-A710 PolarHBondContact O-N 2.97Å; L707-A710 PolarHBondContact O-N 3.44Å; A710-K713 PolarHBondContact O-N 2.73Å; A710-Q714 PolarHBondContact O-N 2.73Å; A710-D715 PolarHBondContact O-N 3.26Å; A710-V719 HydrophobicContact CB-CG2 3.66Å; A710-L722 HydrophobicContact CB-CD1 3.87Å
711	I	95.3	Very high	92.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-46.6	173.4	-69.6	165.3	0	0	0	110.9	L707 M708 E709 K713 Q714 V719 P743 L746 A747 I755 L759	L707-I711 HydrophobicContact CD1-CD1 4.08Å; L707-I711 HydrophobicContact CD1-CG1 4.42Å; L707-I711 HydrophobicContact CG-CD1 4.01Å; L707-I711 WeakPolarHBondContact O-CD1 3.25Å; L707-I711 WeakPolarHBondContact O-CG1 3.16Å; L707-I711 PolarHBondContact O-N 3.29Å; M708-I711 PolarHBondContact O-N 2.7Å; E709-I711 VanDerWaalsContact C-N 3.33Å; E709-I711 PolarHBondContact O-N 3.42Å; I711-K713 VanDerWaalsContact C-N 3.28Å; I711-K713 PolarHBondContact O-N 2.85Å; I711-Q714 PolarHBondContact O-N 3.31Å; I711-V719 HydrophobicContact CG1-CG1 4.38Å; I711-V719 HydrophobicContact CG1-CG2 3.74Å; I711-P743 HydrophobicContact CD1-CB 3.62Å; I711-L746 HydrophobicContact CG2-CB 3.98Å; I711-A747 HydrophobicContact CG2-CB 4.18Å; I711-I755 HydrophobicContact CD1-CG2 4.45Å; I711-I755 HydrophobicContact CG1-CG2 3.91Å; I711-I755 HydrophobicContact CG2-CG2 4.28Å; I711-L759 HydrophobicContact CD1-CD1 4.04Å
712	C	92.7	Very high	93.4	Very high	34 Å²	34	36.2 Å²	36.2	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-37.7	176.9	-66.3	0	0	0	0	112	M708 E709 Q714 L838	M708-C712 PolarHBondContact O-N 2.92Å; M708-C712 PolarHBondContact O-SG 3.38Å; E709-C712 PolarHBondContact O-N 3.32Å; C712-Q714 VanDerWaalsContact C-N 3.28Å; C712-Q714 PolarHBondContact O-N 3.31Å; C712-L838 HydrophobicContact CB-CD2 4.32Å
713	K	94.4	Very high	93.8	Very high	138 Å²	138	32.9 Å²	32.9	60%	0.6	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.9	174.4	-69	176.1	-174.4	171.8	0	114.4	E709 A710 I711 D715	E709-K713 HydrophobicContact CG-CD 4.31Å; E709-K713 WeakPolarHBondContact O-CG 3.49Å; E709-K713 PolarHBondContact O-N 3.04Å; E709-K713 VanDerWaalsContact OE1-CE 3.23Å; E709-K713 WeakPolarHBondContact OE1-CE 3.41Å; E709-K713 IonicContact OE1-NZ 3.9Å; E709-K713 PolarHBondContact OE1-NZ 3.49Å; A710-K713 PolarHBondContact O-N 2.73Å; I711-K713 VanDerWaalsContact C-N 3.28Å; I711-K713 PolarHBondContact O-N 2.85Å; K713-D715 HydrophobicContact CB-CB 4.41Å; K713-D715 PolarHBondContact O-N 2.7Å
714	Q	94.1	Very high	94	Very high	101 Å²	101	31.1 Å²	31.1	47%	0.472	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.6	-171.4	-57.6	-168.6	58	0	0	114.5	A710 I711 C712 L716 V750 N752	A710-Q714 PolarHBondContact O-N 2.73Å; I711-Q714 PolarHBondContact O-N 3.31Å; C712-Q714 VanDerWaalsContact C-N 3.28Å; C712-Q714 PolarHBondContact O-N 3.31Å; Q714-L716 PolarHBondContact O-N 2.98Å; Q714-V750 VanDerWaalsContact CD-CG1 3.41Å; Q714-V750 HydrophobicContact CG-CG1 3.5Å; Q714-V750 VanDerWaalsContact CG-CG1 3.5Å; Q714-N752 PolarHBondContact OE1-ND2 2.87Å
715	D	95.3	Very high	94.1	Very high	60 Å²	60	33.2 Å²	33.2	32%	0.321	17%	0.172	S	C	.	.			trans	-81.8	84.5	179.7	-177.6	-3.1	0	0	0	110.3	A710 K713 P717 S718 V719	A710-D715 PolarHBondContact O-N 3.26Å; K713-D715 HydrophobicContact CB-CB 4.41Å; K713-D715 PolarHBondContact O-N 2.7Å; D715-P717 VanDerWaalsContact OD1-CD 3.29Å; D715-P717 WeakPolarHBondContact OD1-CD 3.47Å; D715-S718 VanDerWaalsContact CG-CB 3.44Å; D715-S718 VanDerWaalsContact CG-OG 3.24Å; D715-S718 PolarHBondContact O-N 3.46Å; D715-S718 VanDerWaalsContact O-N 3.17Å; D715-S718 PolarHBondContact OD1-N 3.39Å; D715-S718 WeakPolarHBondContact OD2-CB 3.31Å; D715-S718 PolarHBondContact OD2-OG 3.15Å; D715-V719 WeakPolarHBondContact O-CG2 3.24Å; D715-V719 PolarHBondContact O-N 3.29Å
716	L	95.1	Very high	94.1	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.12	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-44.1	-177.9	-179.6	66.5	0	0	0	113.7	A646 L647 Q714 S718 V719 F720 I754 I755 L758	A646-L716 HydrophobicContact CB-CD2 3.65Å; L647-L716 HydrophobicContact CD2-CD1 4.19Å; L647-L716 HydrophobicContact CD2-CD2 4Å; L647-L716 HydrophobicContact CD2-CG 3.92Å; Q714-L716 PolarHBondContact O-N 2.98Å; L716-S718 PolarHBondContact O-N 3.18Å; L716-V719 PolarHBondContact O-N 3.24Å; L716-F720 WeakPolarHBondContact O-CB 3.41Å; L716-F720 PolarHBondContact O-N 2.9Å; L716-I754 HydrophobicContact CD1-CG2 3.96Å; L716-I754 HydrophobicContact CD2-CG2 3.87Å; L716-I755 HydrophobicContact CD1-CG1 4.25Å; L716-L758 HydrophobicContact CD1-CD2 3.96Å
717	P	95.3	Very high	93.8	Very high	59 Å²	59	33.1 Å²	33.1	38%	0.383	17%	0.173	S	C	.	.	H	α-helix	trans	-50.4	-52.3	169.3	-31.8	37.1	0	0	0	114	L651 D715 F720 L721	L651-P717 HydrophobicContact CD1-CB 3.94Å; L651-P717 HydrophobicContact CD1-CG 4.02Å; L651-P717 HydrophobicContact CD2-CG 4.12Å; D715-P717 VanDerWaalsContact OD1-CD 3.29Å; D715-P717 WeakPolarHBondContact OD1-CD 3.47Å; P717-F720 PolarHBondContact O-N 3.04Å; P717-L721 WeakPolarHBondContact O-CB 3.34Å; P717-L721 PolarHBondContact O-N 2.86Å
718	S	94.9	Very high	93.3	Very high	39 Å²	39	36.1 Å²	36.1	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-41.8	179.4	-67.6	0	0	0	0	111.9	D715 L716 F720 L721 L722	D715-S718 VanDerWaalsContact CG-CB 3.44Å; D715-S718 VanDerWaalsContact CG-OG 3.24Å; D715-S718 PolarHBondContact O-N 3.46Å; D715-S718 VanDerWaalsContact O-N 3.17Å; D715-S718 PolarHBondContact OD1-N 3.39Å; D715-S718 WeakPolarHBondContact OD2-CB 3.31Å; D715-S718 PolarHBondContact OD2-OG 3.15Å; L716-S718 PolarHBondContact O-N 3.18Å; S718-F720 VanDerWaalsContact C-N 3.35Å; S718-F720 PolarHBondContact O-N 2.87Å; S718-L721 PolarHBondContact O-N 2.92Å; S718-L722 WeakPolarHBondContact O-CB 3.47Å; S718-L722 VanDerWaalsContact O-CD1 3.26Å; S718-L722 WeakPolarHBondContact O-CD1 3.43Å; S718-L722 WeakPolarHBondContact O-CG 3.33Å; S718-L722 PolarHBondContact O-N 3.41Å
719	V	95.8	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-45.8	174.5	170.5	0	0	0	0	111.2	L707 A710 I711 D715 L716 L722 L723 I755 L758	L707-V719 HydrophobicContact CD1-CG1 4.1Å; A710-V719 HydrophobicContact CB-CG2 3.66Å; I711-V719 HydrophobicContact CG1-CG1 4.38Å; I711-V719 HydrophobicContact CG1-CG2 3.74Å; D715-V719 WeakPolarHBondContact O-CG2 3.24Å; D715-V719 PolarHBondContact O-N 3.29Å; L716-V719 PolarHBondContact O-N 3.24Å; V719-L722 PolarHBondContact O-N 3.24Å; V719-L723 HydrophobicContact CG1-CD1 3.83Å; V719-L723 HydrophobicContact CG1-CG 4.37Å; V719-L723 WeakPolarHBondContact O-CB 3.4Å; V719-L723 VanDerWaalsContact O-CG 3.24Å; V719-L723 WeakPolarHBondContact O-CG 3.39Å; V719-L723 PolarHBondContact O-N 3.02Å; V719-I755 HydrophobicContact CG1-CG2 4.33Å; V719-L758 HydrophobicContact CG1-CD2 4.4Å
720	F	96	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-42.1	-180	-178.3	-109.3	0	0	0	112.3	L606 L647 V652 V655 W656 L716 P717 S718 L723 A724 L758	L606-F720 WeakPolarHBondContact O-CZ 3.27Å; L647-F720 HydrophobicContact CD1-CD2 3.87Å; L647-F720 HydrophobicContact CD1-CE2 3.88Å; L647-F720 HydrophobicContact CD2-CB 4.01Å; L647-F720 HydrophobicContact CD2-CD1 4.39Å; L647-F720 HydrophobicContact CD2-CD2 4.05Å; L647-F720 HydrophobicContact CD2-CG 3.89Å; V652-F720 HydrophobicContact CG1-CZ 4.44Å; V652-F720 HydrophobicContact CG2-CE1 4.23Å; V652-F720 HydrophobicContact CG2-CZ 4.09Å; V655-F720 HydrophobicContact CB-CD1 4.25Å; V655-F720 HydrophobicContact CB-CE1 4.13Å; V655-F720 HydrophobicContact CG1-CD1 4.32Å; V655-F720 HydrophobicContact CG1-CE1 4.21Å; V655-F720 HydrophobicContact CG2-CD1 4.02Å; V655-F720 HydrophobicContact CG2-CE1 4.39Å; W656-F720 AromaticContact CD1-CE1 3.9Å; W656-F720 AromaticContact CD1-CZ 3.98Å; W656-F720 AromaticContact NE1-CE1 3.68Å; W656-F720 AromaticContact NE1-CZ 3.45Å; L716-F720 WeakPolarHBondContact O-CB 3.41Å; L716-F720 PolarHBondContact O-N 2.9Å; P717-F720 PolarHBondContact O-N 3.04Å; S718-F720 VanDerWaalsContact C-N 3.35Å; S718-F720 PolarHBondContact O-N 2.87Å; F720-L723 PolarHBondContact O-N 2.98Å; F720-A724 PolarHBondContact O-N 3.19Å; F720-L758 HydrophobicContact CB-CD2 4.44Å; F720-L758 HydrophobicContact CD2-CD1 4.28Å; F720-L758 HydrophobicContact CD2-CD2 4.19Å
721	L	95.2	Very high	92.9	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-51	172.6	172.7	58.9	0	0	0	111.6	V655 A694 P717 S718 L723 A724 H725	V655-L721 HydrophobicContact CG1-CD1 3.95Å; V655-L721 HydrophobicContact CG2-CB 4.27Å; A694-L721 HydrophobicContact CB-CD1 3.71Å; A694-L721 WeakPolarHBondContact O-CD1 3.29Å; P717-L721 WeakPolarHBondContact O-CB 3.34Å; P717-L721 PolarHBondContact O-N 2.86Å; S718-L721 PolarHBondContact O-N 2.92Å; L721-L723 VanDerWaalsContact C-N 3.35Å; L721-L723 PolarHBondContact O-N 3.23Å; L721-A724 WeakPolarHBondContact O-CB 3.34Å; L721-A724 PolarHBondContact O-N 3.41Å; L721-H725 PolarHBondContact O-CD2 3.47Å
722	L	95	Very high	92.7	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-40.2	-177.5	-67	161.8	0	0	0	111.2	V696 L703 L706 L707 A710 S718 V719 A724 H725 C726	V696-L722 HydrophobicContact CG1-CD2 3.63Å; V696-L722 HydrophobicContact CG2-CD2 4.25Å; L703-L722 HydrophobicContact CD1-CD2 3.5Å; L703-L722 VanDerWaalsContact CD1-CD2 3.5Å; L706-L722 HydrophobicContact CB-CD1 4.04Å; L706-L722 HydrophobicContact CB-CD2 3.82Å; L706-L722 HydrophobicContact CD1-CD2 4.28Å; L706-L722 WeakPolarHBondContact O-CD1 3.26Å; L707-L722 HydrophobicContact CB-CB 4.39Å; L707-L722 HydrophobicContact CD1-CB 4.13Å; A710-L722 HydrophobicContact CB-CD1 3.87Å; S718-L722 WeakPolarHBondContact O-CB 3.47Å; S718-L722 VanDerWaalsContact O-CD1 3.26Å; S718-L722 WeakPolarHBondContact O-CD1 3.43Å; S718-L722 WeakPolarHBondContact O-CG 3.33Å; S718-L722 PolarHBondContact O-N 3.41Å; V719-L722 PolarHBondContact O-N 3.24Å; L722-A724 VanDerWaalsContact C-N 3.33Å; L722-A724 PolarHBondContact O-N 3.23Å; L722-H725 PolarHBondContact O-N 3.05Å; L722-H725 VanDerWaalsContact O-N 3.1Å; L722-C726 PolarHBondContact O-N 3.27Å; L722-C726 VanDerWaalsContact O-N 3.07Å; L722-C726 PolarHBondContact O-SG 3.31Å
723	L	94.6	Very high	92.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-32.5	174.8	-72.4	175.3	0	0	0	113.4	L707 V719 F720 L721 H725 C726 V731 L758 L759 F762	L707-L723 HydrophobicContact CD1-CD2 4.04Å; L707-L723 HydrophobicContact CD1-CG 3.97Å; L707-L723 HydrophobicContact CD2-CD2 3.84Å; V719-L723 HydrophobicContact CG1-CD1 3.83Å; V719-L723 HydrophobicContact CG1-CG 4.37Å; V719-L723 WeakPolarHBondContact O-CB 3.4Å; V719-L723 VanDerWaalsContact O-CG 3.24Å; V719-L723 WeakPolarHBondContact O-CG 3.39Å; V719-L723 PolarHBondContact O-N 3.02Å; F720-L723 PolarHBondContact O-N 2.98Å; L721-L723 VanDerWaalsContact C-N 3.35Å; L721-L723 PolarHBondContact O-N 3.23Å; L723-H725 PolarHBondContact O-N 3.34Å; L723-C726 PolarHBondContact O-N 2.8Å; L723-V731 HydrophobicContact CD2-CG1 4.47Å; L723-V731 HydrophobicContact CD2-CG2 3.9Å; L723-L758 HydrophobicContact CD1-CD2 3.93Å; L723-L758 HydrophobicContact CD1-CG 3.85Å; L723-L759 HydrophobicContact CD1-CD2 4.08Å; L723-L759 HydrophobicContact CD2-CD2 3.78Å; L723-F762 HydrophobicContact CB-CD1 3.99Å; L723-F762 HydrophobicContact CB-CD2 4.18Å; L723-F762 HydrophobicContact CB-CE1 3.95Å; L723-F762 HydrophobicContact CB-CE2 4.14Å; L723-F762 HydrophobicContact CB-CG 4.11Å; L723-F762 HydrophobicContact CB-CZ 4.03Å; L723-F762 HydrophobicContact CD1-CD2 4.07Å; L723-F762 HydrophobicContact CD1-CE2 4.48Å; L723-F762 HydrophobicContact CD1-CG 4.37Å; L723-F762 HydrophobicContact CD2-CB 4.29Å; L723-F762 HydrophobicContact CD2-CG 4.36Å; L723-F762 WeakPolarHBondContact O-CD1 3.41Å; L723-F762 WeakPolarHBondContact O-CE1 3.48Å
724	A	93.7	Very high	92.5	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-24.7	173.5	0	0	0	0	0	112.9	V655 W656 K690 L693 F720 L721 L722	V655-A724 HydrophobicContact CG1-CB 4.34Å; W656-A724 HydrophobicContact CH2-CB 4.04Å; W656-A724 HydrophobicContact CZ2-CB 3.57Å; K690-A724 PolarHBondContact NZ-O 2.98Å; L693-A724 HydrophobicContact CD1-CB 3.81Å; L693-A724 HydrophobicContact CD2-CB 4.2Å; F720-A724 PolarHBondContact O-N 3.19Å; L721-A724 WeakPolarHBondContact O-CB 3.34Å; L721-A724 PolarHBondContact O-N 3.41Å; L722-A724 VanDerWaalsContact C-N 3.33Å; L722-A724 PolarHBondContact O-N 3.23Å
725	H	92.9	Very high	91.8	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.292	22%	0.215	S	C	.	.	H	α-helix	trans	-90.9	-26.5	174.2	-74	-78.9	0	0	0	114	L693 A694 V696 L703 L721 L722 L723	L693-H725 VanDerWaalsContact CD2-CE1 3.44Å; L693-H725 WeakPolarHBondContact CD2-CE1 3.48Å; A694-H725 PolarHBondContact O-NE2 3.34Å; V696-H725 HydrophobicContact CG2-CB 4.22Å; V696-H725 WeakPolarHBondContact CG2-CD2 3.48Å; L703-H725 HydrophobicContact CD1-CB 4.4Å; L703-H725 HydrophobicContact CD2-CB 3.96Å; L721-H725 PolarHBondContact O-CD2 3.47Å; L722-H725 PolarHBondContact O-N 3.05Å; L722-H725 VanDerWaalsContact O-N 3.1Å; L723-H725 PolarHBondContact O-N 3.34Å
726	C	90.4	Very high	91.1	Very high	13 Å²	13	39.4 Å²	39.4	9%	0.088	21%	0.214	C	C	.	.			trans	-64.6	145.3	-179.3	-71.8	0	0	0	0	114.1	L703 L722 L723 M730 V731	L703-C726 HydrophobicContact CD2-CB 4.46Å; L703-C726 VanDerWaalsContact CD2-SG 3.58Å; L722-C726 PolarHBondContact O-N 3.27Å; L722-C726 VanDerWaalsContact O-N 3.07Å; L722-C726 PolarHBondContact O-SG 3.31Å; L723-C726 PolarHBondContact O-N 2.8Å; C726-M730 HydrophobicContact CB-CB 4.01Å; C726-V731 HydrophobicContact CB-CG2 3.65Å
727	D	85.9	Confident	90.2	Very high	49 Å²	49	42.9 Å²	42.9	26%	0.262	24%	0.241	S	C	.	.			trans	-91.9	170.3	158.4	85.1	2	0	0	0	111.5	R729 M730 V731	D727-R729 PolarHBondContact O-N 3.47Å; D727-R729 WeakPolarHBondContact OD1-CA 3.37Å; D727-R729 VanDerWaalsContact OD1-CB 3.25Å; D727-R729 WeakPolarHBondContact OD1-CB 3.44Å; D727-R729 PolarHBondContact OD1-N 3.11Å; D727-R729 IonicContact OD1-NE 3.23Å; D727-R729 IonicContact OD2-CZ 2.71Å; D727-R729 IonicContact OD2-NE 3.23Å; D727-R729 PolarHBondContact OD2-NE 3.21Å; D727-R729 IonicContact OD2-NH2 3.37Å; D727-R729 PolarHBondContact OD2-NH2 2.65Å; D727-M730 PolarHBondContact O-N 3.43Å; D727-M730 VanDerWaalsContact O-N 3.08Å; D727-M730 WeakPolarHBondContact OD1-CG 3.35Å; D727-M730 PolarHBondContact OD1-N 2.91Å; D727-V731 WeakPolarHBondContact O-CG2 3.16Å; D727-V731 PolarHBondContact O-N 3.2Å; D727-V731 VanDerWaalsContact O-N 3.1Å
728	S	83.4	Confident	89.5	Confident	63 Å²	63	50.2 Å²	50.2	44%	0.441	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.3	-179.1	-169.6	0	0	0	0	114.4	N732	S728-N732 PolarHBondContact O-ND2 2.83Å
729	R	88.4	Confident	89	Confident	193 Å²	193	49.4 Å²	49.4	73%	0.728	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-43.1	173.8	-57.6	172.7	-70.4	-176.1	-2.3	109.9	D727 V731 N732 A733	D727-R729 PolarHBondContact O-N 3.47Å; D727-R729 WeakPolarHBondContact OD1-CA 3.37Å; D727-R729 VanDerWaalsContact OD1-CB 3.25Å; D727-R729 WeakPolarHBondContact OD1-CB 3.44Å; D727-R729 PolarHBondContact OD1-N 3.11Å; D727-R729 IonicContact OD1-NE 3.23Å; D727-R729 IonicContact OD2-CZ 2.71Å; D727-R729 IonicContact OD2-NE 3.23Å; D727-R729 PolarHBondContact OD2-NE 3.21Å; D727-R729 IonicContact OD2-NH2 3.37Å; D727-R729 PolarHBondContact OD2-NH2 2.65Å; R729-V731 PolarHBondContact O-N 2.99Å; R729-N732 CarbonylContact O-C 3.57Å; R729-N732 PolarHBondContact O-N 3.38Å; R729-N732 VanDerWaalsContact O-N 3.1Å; R729-A733 PolarHBondContact O-N 3.2Å
730	M	90.5	Very high	88.7	Confident	75 Å²	75	55.2 Å²	55.2	37%	0.369	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.9	-41.6	176.7	-65.5	172.6	-178.9	0	0	112.3	L703 C726 D727 N732 A733	L703-M730 HydrophobicContact CD2-SD 3.89Å; C726-M730 HydrophobicContact CB-CB 4.01Å; D727-M730 PolarHBondContact O-N 3.43Å; D727-M730 VanDerWaalsContact O-N 3.08Å; D727-M730 WeakPolarHBondContact OD1-CG 3.35Å; D727-M730 PolarHBondContact OD1-N 2.91Å; M730-N732 PolarHBondContact O-N 2.96Å; M730-N732 VanDerWaalsContact O-N 3.17Å; M730-A733 WeakPolarHBondContact O-CB 3.29Å; M730-A733 PolarHBondContact O-N 3.44Å; M730-A733 VanDerWaalsContact O-N 3.1Å
731	V	91.7	Very high	88.5	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-61.1	-24	175.7	179.6	0	0	0	0	112.7	L723 C726 D727 R729 P743 L759 F762 A764	L723-V731 HydrophobicContact CD2-CG1 4.47Å; L723-V731 HydrophobicContact CD2-CG2 3.9Å; C726-V731 HydrophobicContact CB-CG2 3.65Å; D727-V731 WeakPolarHBondContact O-CG2 3.16Å; D727-V731 PolarHBondContact O-N 3.2Å; D727-V731 VanDerWaalsContact O-N 3.1Å; R729-V731 PolarHBondContact O-N 2.99Å; V731-P743 VanDerWaalsContact O-CD 3.27Å; V731-P743 WeakPolarHBondContact O-CD 3.41Å; V731-P743 WeakPolarHBondContact O-CG 3.24Å; V731-L759 HydrophobicContact CG1-CD2 4.14Å; V731-F762 HydrophobicContact CG1-CB 4.38Å; V731-F762 HydrophobicContact CG2-CB 4.21Å; V731-A764 HydrophobicContact CG1-CB 3.87Å
732	N	92.4	Very high	88.4	Confident	43 Å²	43	55.5 Å²	55.5	23%	0.23	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-108.7	7.6	179.2	-68	-70.7	0	0	0	113.1	S728 R729 M730 N763 A764 D765	S728-N732 PolarHBondContact O-ND2 2.83Å; R729-N732 CarbonylContact O-C 3.57Å; R729-N732 PolarHBondContact O-N 3.38Å; R729-N732 VanDerWaalsContact O-N 3.1Å; M730-N732 PolarHBondContact O-N 2.96Å; M730-N732 VanDerWaalsContact O-N 3.17Å; N732-N763 PolarHBondContact ND2-O 3.38Å; N732-A764 WeakPolarHBondContact OD1-CA 3.38Å; N732-D765 PolarHBondContact OD1-N 2.74Å
733	A	91.1	Very high	88.4	Confident	30 Å²	30	55 Å²	55	25%	0.248	27%	0.272	C	S	.	.			trans	-76.6	156.3	-179.6	0	0	0	0	0	111.7	T704 M708 R729 M730 P743	T704-A733 HydrophobicContact CG2-CB 3.84Å; M708-A733 VanDerWaalsContact CE-O 3.3Å; M708-A733 WeakPolarHBondContact CE-O 3.26Å; R729-A733 PolarHBondContact O-N 3.2Å; M730-A733 WeakPolarHBondContact O-CB 3.29Å; M730-A733 PolarHBondContact O-N 3.44Å; M730-A733 VanDerWaalsContact O-N 3.1Å; A733-P743 WeakPolarHBondContact O-CD 3.41Å
734	T	89.9	Confident	88.5	Confident	57 Å²	57	55 Å²	55	35%	0.35	27%	0.272	S	S	.	.			trans	-122.4	137.2	-174.4	62.2	0	0	0	0	109.6	S736 R740 T742	T734-S736 VanDerWaalsContact C-N 3.35Å; T734-S736 PolarHBondContact O-N 2.89Å; T734-R740 HydrophobicContact CG2-CB 4.36Å; T734-R740 WeakPolarHBondContact CG2-O 3.49Å; T734-T742 HydrophobicContact CG2-CG2 4.05Å
735	L	81.5	Confident	88.5	Confident	37 Å²	37	54.9 Å²	54.9	19%	0.194	27%	0.271	C	S	.	.	S	Bend	trans	-67.6	-32.5	-177.4	-72.2	174.2	0	0	0	114.3	T704 E705 M708 F835	T704-L735 HydrophobicContact CG2-CD2 4.38Å; E705-L735 HydrophobicContact CB-CD2 3.48Å; E705-L735 VanDerWaalsContact CB-CD2 3.48Å; E705-L735 HydrophobicContact CG-CD1 4.34Å; E705-L735 HydrophobicContact CG-CD2 3.96Å; M708-L735 HydrophobicContact CB-CD1 4.09Å; M708-L735 HydrophobicContact CE-CG 4.3Å; M708-L735 HydrophobicContact CG-CD1 4.28Å; M708-L735 HydrophobicContact SD-CB 4.43Å; M708-L735 HydrophobicContact SD-CD1 3.44Å; M708-L735 WeakPolarHBondContact SD-CD1 3.47Å; M708-L735 HydrophobicContact SD-CG 3.51Å; M708-L735 VanDerWaalsContact SD-CG 3.51Å; L735-F835 HydrophobicContact CD1-CE2 4.41Å; L735-F835 HydrophobicContact CD1-CZ 4.17Å
736	S	79.4	Confident	88.5	Confident	43 Å²	43	51.9 Å²	51.9	30%	0.301	26%	0.258	S	S	.	.			trans	-136.9	148.2	174.1	82.7	0	0	0	0	111.5	T734 R738 D739 R740	T734-S736 VanDerWaalsContact C-N 3.35Å; T734-S736 PolarHBondContact O-N 2.89Å; S736-R738 PolarHBondContact O-N 3.26Å; S736-R738 PolarHBondContact OG-N 2.81Å; S736-D739 PolarHBondContact O-N 2.68Å; S736-D739 VanDerWaalsContact OG-CB 3.25Å; S736-D739 WeakPolarHBondContact OG-CB 3.41Å; S736-D739 PolarHBondContact OG-N 3.11Å; S736-D739 VanDerWaalsContact OG-N 3.07Å; S736-R740 PolarHBondContact O-N 2.97Å
737	S	76.8	Confident	88.8	Confident	97 Å²	97	51.3 Å²	51.3	68%	0.678	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.1	171.8	52.7	0	0	0	0	113.5	R740	S737-R740 PolarHBondContact O-NE 3.46Å
738	R	80.7	Confident	89.2	Confident	213 Å²	213	49 Å²	49	80%	0.804	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-33	177.3	-67.1	-173.4	179.9	-174.4	0.5	113.3	S736 Q771	S736-R738 PolarHBondContact O-N 3.26Å; S736-R738 PolarHBondContact OG-N 2.81Å; R738-Q771 WeakPolarHBondContact O-CB 3.31Å; R738-Q771 WeakPolarHBondContact O-CG 3.39Å
739	D	83.9	Confident	89.7	Confident	22 Å²	22	46.2 Å²	46.2	12%	0.118	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-46.9	-175.6	-175.4	-8.6	0	0	0	110.6	S736 R741 Q771 F835	S736-D739 PolarHBondContact O-N 2.68Å; S736-D739 VanDerWaalsContact OG-CB 3.25Å; S736-D739 WeakPolarHBondContact OG-CB 3.41Å; S736-D739 PolarHBondContact OG-N 3.11Å; S736-D739 VanDerWaalsContact OG-N 3.07Å; D739-R741 VanDerWaalsContact CG-NE 3.27Å; D739-R741 PolarHBondContact O-N 3.43Å; D739-R741 WeakPolarHBondContact OD1-CB 3.48Å; D739-R741 WeakPolarHBondContact OD1-CD 3.44Å; D739-R741 WeakPolarHBondContact OD1-CG 3.37Å; D739-R741 IonicContact OD1-CZ 3.91Å; D739-R741 PolarHBondContact OD1-N 2.98Å; D739-R741 IonicContact OD1-NE 3.29Å; D739-R741 PolarHBondContact OD1-NE 2.85Å; D739-R741 IonicContact OD1-NH2 2.7Å; D739-R741 IonicContact OD2-CZ 3.16Å; D739-R741 VanDerWaalsContact OD2-CZ 3.31Å; D739-R741 IonicContact OD2-NE 3.8Å; D739-R741 PolarHBondContact OD2-NE 3.48Å; D739-R741 IonicContact OD2-NH2 2.76Å; D739-R741 PolarHBondContact OD2-NH2 2.88Å; D739-Q771 PolarHBondContact O-N 3.48Å; D739-F835 WeakPolarHBondContact OD2-CE1 3.29Å; D739-F835 WeakPolarHBondContact OD2-CZ 3.37Å
740	R	89.9	Confident	89.9	Confident	121 Å²	121	38.4 Å²	38.4	46%	0.457	20%	0.196	S	C	.	.			trans	56.2	4.4	-176.2	-48	-174.4	-164.4	-160.8	9.1	116.1	T734 S736 S737 T742 Q771	T734-R740 HydrophobicContact CG2-CB 4.36Å; T734-R740 WeakPolarHBondContact CG2-O 3.49Å; S736-R740 PolarHBondContact O-N 2.97Å; S737-R740 PolarHBondContact O-NE 3.46Å; R740-T742 PolarHBondContact O-N 2.67Å; R740-Q771 HydrophobicContact CG-CB 4.27Å
741	R	91.1	Very high	90.1	Very high	28 Å²	28	35.7 Å²	35.7	11%	0.106	19%	0.187	C	C	.	.			trans	-53	130.3	165.5	-82.3	-177.2	-68.9	-161.7	-3.5	110.6	M708 D739 H745 D770 Y779 V842	M708-R741 WeakPolarHBondContact CE-O 3.41Å; D739-R741 VanDerWaalsContact CG-NE 3.27Å; D739-R741 PolarHBondContact O-N 3.43Å; D739-R741 WeakPolarHBondContact OD1-CB 3.48Å; D739-R741 WeakPolarHBondContact OD1-CD 3.44Å; D739-R741 WeakPolarHBondContact OD1-CG 3.37Å; D739-R741 IonicContact OD1-CZ 3.91Å; D739-R741 PolarHBondContact OD1-N 2.98Å; D739-R741 IonicContact OD1-NE 3.29Å; D739-R741 PolarHBondContact OD1-NE 2.85Å; D739-R741 IonicContact OD1-NH2 2.7Å; D739-R741 IonicContact OD2-CZ 3.16Å; D739-R741 VanDerWaalsContact OD2-CZ 3.31Å; D739-R741 IonicContact OD2-NE 3.8Å; D739-R741 PolarHBondContact OD2-NE 3.48Å; D739-R741 IonicContact OD2-NH2 2.76Å; D739-R741 PolarHBondContact OD2-NH2 2.88Å; R741-H745 HydrophobicContact CB-CB 4.23Å; R741-H745 HydrophobicContact CG-CB 4.07Å; R741-D770 HydrophobicContact CG-CB 4.16Å; R741-Y779 WeakPolarHBondContact CD-OH 3.49Å; R741-V842 PolarHBondContact NH1-O 3.24Å
742	T	93.8	Very high	90.3	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.031	19%	0.193	C	C	.	.			trans	-95.4	166.1	172.6	73.5	0	0	0	0	110.2	T734 R740 L744 H745 L746 A768	T734-T742 HydrophobicContact CG2-CG2 4.05Å; R740-T742 PolarHBondContact O-N 2.67Å; T742-L744 PolarHBondContact O-N 3.42Å; T742-L744 VanDerWaalsContact O-N 3.08Å; T742-H745 PolarHBondContact N-ND1 2.94Å; T742-H745 WeakPolarHBondContact O-CB 3.48Å; T742-H745 PolarHBondContact O-N 2.84Å; T742-H745 PolarHBondContact OG1-ND1 3Å; T742-L746 PolarHBondContact O-N 3.24Å; T742-A768 HydrophobicContact CG2-CB 3.97Å
743	P	95.1	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-53.9	-31.6	177.5	-29	37.9	0	0	0	113.4	L707 M708 I711 V731 A733 L746 A747 L759	L707-P743 HydrophobicContact CD2-CB 4.23Å; L707-P743 HydrophobicContact CD2-CG 4.01Å; M708-P743 HydrophobicContact CE-CG 3.83Å; M708-P743 HydrophobicContact CG-CG 4.3Å; I711-P743 HydrophobicContact CD1-CB 3.62Å; V731-P743 VanDerWaalsContact O-CD 3.27Å; V731-P743 WeakPolarHBondContact O-CD 3.41Å; V731-P743 WeakPolarHBondContact O-CG 3.24Å; A733-P743 WeakPolarHBondContact O-CD 3.41Å; P743-L746 PolarHBondContact O-N 3.16Å; P743-A747 PolarHBondContact O-N 3.01Å; P743-L759 HydrophobicContact CB-CD1 4.2Å; P743-L759 HydrophobicContact CB-CD2 4.01Å; P743-L759 WeakPolarHBondContact O-CD1 3.29Å
744	L	95.2	Very high	90.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-33.8	177.4	-172.8	64	0	0	0	113.2	T742 C748 A756 L759 I760 A764 P766 A776 I792	T742-L744 PolarHBondContact O-N 3.42Å; T742-L744 VanDerWaalsContact O-N 3.08Å; L744-C748 WeakPolarHBondContact O-CB 3.44Å; L744-C748 PolarHBondContact O-N 2.77Å; L744-C748 PolarHBondContact O-SG 3.02Å; L744-A756 HydrophobicContact CD1-CB 4.31Å; L744-L759 HydrophobicContact CB-CD1 4.49Å; L744-L759 HydrophobicContact CD1-CB 4.11Å; L744-L759 HydrophobicContact CD1-CD1 4.36Å; L744-I760 HydrophobicContact CD1-CD1 4.34Å; L744-I760 HydrophobicContact CD1-CG1 4.26Å; L744-I760 HydrophobicContact CD2-CD1 3.79Å; L744-A764 HydrophobicContact CB-CB 4.12Å; L744-A764 HydrophobicContact CD2-CB 4.04Å; L744-A764 HydrophobicContact CG-CB 4.49Å; L744-P766 HydrophobicContact CD2-CB 4.27Å; L744-A776 HydrophobicContact CD2-CB 4.13Å; L744-A776 HydrophobicContact CG-CB 3.98Å; L744-I792 HydrophobicContact CD1-CD1 4.08Å; L744-I792 HydrophobicContact CD2-CD1 3.96Å; L744-I792 HydrophobicContact CG-CD1 4.16Å
745	H	94.4	Very high	90.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-46.2	172.7	-66.6	85.2	0	0	0	110.1	R741 T742 C748 A749 A768 R774 A776 Y779	R741-H745 HydrophobicContact CB-CB 4.23Å; R741-H745 HydrophobicContact CG-CB 4.07Å; T742-H745 PolarHBondContact N-ND1 2.94Å; T742-H745 WeakPolarHBondContact O-CB 3.48Å; T742-H745 PolarHBondContact O-N 2.84Å; T742-H745 PolarHBondContact OG1-ND1 3Å; H745-C748 PolarHBondContact O-N 2.97Å; H745-A749 WeakPolarHBondContact O-CB 3.37Å; H745-A749 PolarHBondContact O-N 2.81Å; H745-A768 PolarHBondContact CE1-O 3.24Å; H745-A768 PolarHBondContact NE2-O 2.94Å; H745-R774 PolarHBondContact NE2-O 3.34Å; H745-A776 PolarHBondContact CD2-N 3.09Å; H745-A776 PolarHBondContact NE2-N 3.16Å; H745-Y779 HydrophobicContact CB-CD2 4.09Å; H745-Y779 HydrophobicContact CB-CE2 4.16Å; H745-Y779 AromaticContact CD2-CD2 3.63Å; H745-Y779 AromaticContact CD2-CE2 3.63Å
746	L	93.7	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-44.5	177.7	-62	-178.1	0	0	0	112.4	M708 I711 T742 P743 C748 A749 V750 F835 L838	M708-L746 HydrophobicContact CB-CD1 3.66Å; M708-L746 HydrophobicContact CG-CD1 3.6Å; M708-L746 HydrophobicContact SD-CD1 3.58Å; M708-L746 VanDerWaalsContact SD-CD1 3.58Å; I711-L746 HydrophobicContact CG2-CB 3.98Å; T742-L746 PolarHBondContact O-N 3.24Å; P743-L746 PolarHBondContact O-N 3.16Å; L746-C748 VanDerWaalsContact C-N 3.28Å; L746-C748 PolarHBondContact O-N 3.41Å; L746-A749 PolarHBondContact O-N 3.48Å; L746-A749 VanDerWaalsContact O-N 3.15Å; L746-V750 WeakPolarHBondContact O-CB 3.35Å; L746-V750 VanDerWaalsContact O-CG2 3.3Å; L746-V750 WeakPolarHBondContact O-CG2 3.35Å; L746-V750 PolarHBondContact O-N 2.88Å; L746-F835 HydrophobicContact CD2-CE1 4.21Å; L746-L838 HydrophobicContact CD2-CD1 4.43Å
747	A	95.4	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-38.8	176.3	0	0	0	0	0	112.7	I711 P743 G751 N752 I755 A756 L759	I711-A747 HydrophobicContact CG2-CB 4.18Å; P743-A747 PolarHBondContact O-N 3.01Å; A747-G751 PolarHBondContact O-N 2.85Å; A747-G751 VanDerWaalsContact O-N 3.12Å; A747-N752 PolarHBondContact O-N 3.13Å; A747-I755 HydrophobicContact CB-CB 4.33Å; A747-I755 HydrophobicContact CB-CG2 3.67Å; A747-A756 HydrophobicContact CB-CB 4.31Å; A747-L759 HydrophobicContact CB-CD1 3.64Å
748	C	95.3	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.5	-35.7	175.3	-66.3	0	0	0	0	112.6	L744 H745 L746 G751 A776 A780 S783	L744-C748 WeakPolarHBondContact O-CB 3.44Å; L744-C748 PolarHBondContact O-N 2.77Å; L744-C748 PolarHBondContact O-SG 3.02Å; H745-C748 PolarHBondContact O-N 2.97Å; L746-C748 VanDerWaalsContact C-N 3.28Å; L746-C748 PolarHBondContact O-N 3.41Å; C748-G751 WeakPolarHBondContact O-CA 3.24Å; C748-G751 PolarHBondContact O-N 3.15Å; C748-G751 VanDerWaalsContact O-N 3.14Å; C748-A776 WeakPolarHBondContact CB-O 3.39Å; C748-A780 HydrophobicContact CB-CB 4.03Å; C748-S783 VanDerWaalsContact O-CB 3.32Å; C748-S783 WeakPolarHBondContact O-CB 3.31Å; C748-S783 PolarHBondContact O-OG 3.05Å
749	A	93.4	Very high	93.9	Very high	5 Å²	5	15.4 Å²	15.4	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-70.6	-39.1	178.2	0	0	0	0	0	112.7	H745 L746 G751 Y779 S783 V842	H745-A749 WeakPolarHBondContact O-CB 3.37Å; H745-A749 PolarHBondContact O-N 2.81Å; L746-A749 PolarHBondContact O-N 3.48Å; L746-A749 VanDerWaalsContact O-N 3.15Å; A749-G751 PolarHBondContact O-N 3.15Å; A749-Y779 HydrophobicContact CB-CD1 3.53Å; A749-Y779 HydrophobicContact CB-CE1 4.3Å; A749-Y779 HydrophobicContact CB-CG 4.16Å; A749-S783 VanDerWaalsContact O-CB 3.27Å; A749-S783 WeakPolarHBondContact O-CB 3.38Å; A749-V842 HydrophobicContact CB-CB 4.39Å; A749-V842 HydrophobicContact CB-CG1 3.61Å; A749-V842 HydrophobicContact CB-CG2 3.94Å; A749-V842 WeakPolarHBondContact O-CG2 3.46Å
750	V	93.7	Very high	94.4	Very high	30 Å²	30	15.1 Å²	15.1	18%	0.182	8%	0.076	C	C	.	.	H	α-helix	trans	-68.5	-19.5	169.6	174.4	0	0	0	0	111.4	Q714 L746 N752	Q714-V750 VanDerWaalsContact CD-CG1 3.41Å; Q714-V750 HydrophobicContact CG-CG1 3.5Å; Q714-V750 VanDerWaalsContact CG-CG1 3.5Å; L746-V750 WeakPolarHBondContact O-CB 3.35Å; L746-V750 VanDerWaalsContact O-CG2 3.3Å; L746-V750 WeakPolarHBondContact O-CG2 3.35Å; L746-V750 PolarHBondContact O-N 2.88Å; V750-N752 HydrophobicContact CG1-CB 4.34Å
751	G	94	Very high	94.5	Very high	17 Å²	17	10.1 Å²	10.1	18%	0.175	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	14.1	175	0	0	0	0	0	114.8	A747 C748 A749 P753 S785	A747-G751 PolarHBondContact O-N 2.85Å; A747-G751 VanDerWaalsContact O-N 3.12Å; C748-G751 WeakPolarHBondContact O-CA 3.24Å; C748-G751 PolarHBondContact O-N 3.15Å; C748-G751 VanDerWaalsContact O-N 3.14Å; A749-G751 PolarHBondContact O-N 3.15Å; G751-P753 VanDerWaalsContact O-CD 3.26Å; G751-P753 WeakPolarHBondContact O-CD 3.3Å; G751-S785 WeakPolarHBondContact O-CB 3.15Å; G751-S785 PolarHBondContact O-OG 3.36Å
752	N	94.6	Very high	94.6	Very high	26 Å²	26	10.2 Å²	10.2	14%	0.139	6%	0.059	C	C	.	.			trans	-90.5	106.8	-173.4	-172.6	-47.5	0	0	0	111.8	Q714 A747 V750 I754 I755 A756	Q714-N752 PolarHBondContact OE1-ND2 2.87Å; A747-N752 PolarHBondContact O-N 3.13Å; V750-N752 HydrophobicContact CG1-CB 4.34Å; N752-I754 VanDerWaalsContact C-N 3.33Å; N752-I754 PolarHBondContact O-N 3.09Å; N752-I754 WeakPolarHBondContact OD1-CB 3.29Å; N752-I754 PolarHBondContact OD1-N 3.01Å; N752-I754 VanDerWaalsContact OD1-N 3.12Å; N752-I755 HydrophobicContact CB-CB 4.39Å; N752-I755 HydrophobicContact CB-CD1 4.32Å; N752-I755 HydrophobicContact CB-CG1 4.48Å; N752-I755 PolarHBondContact OD1-N 3.48Å; N752-I755 VanDerWaalsContact OD1-N 3.08Å; N752-A756 WeakPolarHBondContact O-CB 3.47Å; N752-A756 PolarHBondContact O-N 2.93Å; N752-A756 VanDerWaalsContact O-N 3.1Å
753	P	94.3	Very high	94.4	Very high	26 Å²	26	14 Å²	14	17%	0.169	8%	0.079	C	C	.	.	H	α-helix	trans	-72.1	-24.9	-174.5	29.7	-36.1	0	0	0	113.5	W642 G751 Q757 E787 I791	W642-P753 HydrophobicContact CE3-CG 4.38Å; W642-P753 HydrophobicContact CZ3-CG 4.42Å; G751-P753 VanDerWaalsContact O-CD 3.26Å; G751-P753 WeakPolarHBondContact O-CD 3.3Å; P753-Q757 VanDerWaalsContact O-CB 3.22Å; P753-Q757 WeakPolarHBondContact O-CB 3.18Å; P753-Q757 PolarHBondContact O-N 3.46Å; P753-E787 HydrophobicContact CB-CB 3.66Å; P753-E787 HydrophobicContact CG-CB 3.9Å; P753-E787 HydrophobicContact CG-CG 4.46Å; P753-I791 HydrophobicContact CB-CD1 3.58Å; P753-I791 WeakPolarHBondContact O-CD1 3.46Å
754	I	95.5	Very high	94.3	Very high	41 Å²	41	14.3 Å²	14.3	21%	0.21	8%	0.081	C	C	.	.	H	α-helix	trans	-68	-50	178.7	-66.3	163.8	0	0	0	109.3	W642 V643 A646 L716 N752 Q757 L758	W642-I754 HydrophobicContact CB-CD1 4.43Å; W642-I754 HydrophobicContact CB-CG1 3.97Å; V643-I754 HydrophobicContact CB-CG2 4.49Å; V643-I754 HydrophobicContact CG2-CG2 4.1Å; A646-I754 HydrophobicContact CB-CD1 3.94Å; A646-I754 HydrophobicContact CB-CG2 4.13Å; L716-I754 HydrophobicContact CD1-CG2 3.96Å; L716-I754 HydrophobicContact CD2-CG2 3.87Å; N752-I754 VanDerWaalsContact C-N 3.33Å; N752-I754 PolarHBondContact O-N 3.09Å; N752-I754 WeakPolarHBondContact OD1-CB 3.29Å; N752-I754 PolarHBondContact OD1-N 3.01Å; N752-I754 VanDerWaalsContact OD1-N 3.12Å; I754-Q757 PolarHBondContact O-N 3.4Å; I754-L758 VanDerWaalsContact O-CB 3.29Å; I754-L758 WeakPolarHBondContact O-CB 3.33Å; I754-L758 PolarHBondContact O-N 3.35Å
755	I	96.6	Very high	94.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-43.2	177.3	-64.6	176	0	0	0	110.5	I711 L716 V719 A747 N752 Q757 L758 L759	I711-I755 HydrophobicContact CD1-CG2 4.45Å; I711-I755 HydrophobicContact CG1-CG2 3.91Å; I711-I755 HydrophobicContact CG2-CG2 4.28Å; L716-I755 HydrophobicContact CD1-CG1 4.25Å; V719-I755 HydrophobicContact CG1-CG2 4.33Å; A747-I755 HydrophobicContact CB-CB 4.33Å; A747-I755 HydrophobicContact CB-CG2 3.67Å; N752-I755 HydrophobicContact CB-CB 4.39Å; N752-I755 HydrophobicContact CB-CD1 4.32Å; N752-I755 HydrophobicContact CB-CG1 4.48Å; N752-I755 PolarHBondContact OD1-N 3.48Å; N752-I755 VanDerWaalsContact OD1-N 3.08Å; I755-Q757 PolarHBondContact O-N 2.84Å; I755-L758 PolarHBondContact O-N 2.97Å; I755-L759 HydrophobicContact CG2-CD1 3.98Å; I755-L759 HydrophobicContact CG2-CG 4.45Å; I755-L759 WeakPolarHBondContact O-CB 3.49Å; I755-L759 WeakPolarHBondContact O-CG 3.35Å; I755-L759 PolarHBondContact O-N 2.74Å
756	A	96.3	Very high	94	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-46.1	177.1	0	0	0	0	0	112.3	L744 A747 N752 L759 I760	L744-A756 HydrophobicContact CD1-CB 4.31Å; A747-A756 HydrophobicContact CB-CB 4.31Å; N752-A756 WeakPolarHBondContact O-CB 3.47Å; N752-A756 PolarHBondContact O-N 2.93Å; N752-A756 VanDerWaalsContact O-N 3.1Å; A756-L759 PolarHBondContact O-N 2.54Å; A756-I760 WeakPolarHBondContact O-CG1 3.09Å; A756-I760 PolarHBondContact O-N 2.96Å; A756-I760 VanDerWaalsContact O-N 3.11Å
757	Q	95.7	Very high	93.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-36.4	178.3	-175.6	56	81.5	0	0	112.5	E639 V643 P753 I754 I755 I760 W761 I791	E639-Q757 HydrophobicContact CB-CG 4.44Å; V643-Q757 HydrophobicContact CG2-CB 3.8Å; V643-Q757 HydrophobicContact CG2-CG 3.87Å; P753-Q757 VanDerWaalsContact O-CB 3.22Å; P753-Q757 WeakPolarHBondContact O-CB 3.18Å; P753-Q757 PolarHBondContact O-N 3.46Å; I754-Q757 PolarHBondContact O-N 3.4Å; I755-Q757 PolarHBondContact O-N 2.84Å; Q757-I760 PolarHBondContact O-N 2.81Å; Q757-W761 HydrophobicContact CG-CZ2 4.21Å; Q757-W761 VanDerWaalsContact NE2-CD1 3.32Å; Q757-W761 VanDerWaalsContact NE2-NE1 3.12Å; Q757-W761 PolarHBondContact O-N 3.13Å; Q757-I791 HydrophobicContact CB-CD1 4.09Å
758	L	95.1	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-46.1	174.9	-175.6	62.6	0	0	0	111.3	V643 L647 L716 V719 F720 L723 I754 I755 I760 W761 F762	V643-L758 HydrophobicContact CG1-CB 4.35Å; V643-L758 HydrophobicContact CG1-CD1 4.11Å; L647-L758 HydrophobicContact CD1-CD1 4.32Å; L716-L758 HydrophobicContact CD1-CD2 3.96Å; V719-L758 HydrophobicContact CG1-CD2 4.4Å; F720-L758 HydrophobicContact CB-CD2 4.44Å; F720-L758 HydrophobicContact CD2-CD1 4.28Å; F720-L758 HydrophobicContact CD2-CD2 4.19Å; L723-L758 HydrophobicContact CD1-CD2 3.93Å; L723-L758 HydrophobicContact CD1-CG 3.85Å; I754-L758 VanDerWaalsContact O-CB 3.29Å; I754-L758 WeakPolarHBondContact O-CB 3.33Å; I754-L758 PolarHBondContact O-N 3.35Å; I755-L758 PolarHBondContact O-N 2.97Å; L758-I760 VanDerWaalsContact C-N 3.33Å; L758-I760 PolarHBondContact O-N 2.85Å; L758-W761 HydrophobicContact CD1-CE3 4.24Å; L758-W761 WeakPolarHBondContact O-CA 3.41Å; L758-W761 WeakPolarHBondContact O-CB 3.34Å; L758-W761 PolarHBondContact O-N 2.94Å; L758-F762 HydrophobicContact CD1-CD2 4.08Å; L758-F762 HydrophobicContact CD1-CE2 3.84Å; L758-F762 HydrophobicContact CG-CD2 4.34Å; L758-F762 HydrophobicContact CG-CE2 4.42Å; L758-F762 WeakPolarHBondContact O-CD2 3.47Å; L758-F762 PolarHBondContact O-N 2.9Å
759	L	95.2	Very high	93.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-42.2	175.4	-75.3	168.3	0	0	0	112.4	I711 L723 V731 P743 L744 A747 I755 A756 W761 F762 N763 A764	I711-L759 HydrophobicContact CD1-CD1 4.04Å; L723-L759 HydrophobicContact CD1-CD2 4.08Å; L723-L759 HydrophobicContact CD2-CD2 3.78Å; V731-L759 HydrophobicContact CG1-CD2 4.14Å; P743-L759 HydrophobicContact CB-CD1 4.2Å; P743-L759 HydrophobicContact CB-CD2 4.01Å; P743-L759 WeakPolarHBondContact O-CD1 3.29Å; L744-L759 HydrophobicContact CB-CD1 4.49Å; L744-L759 HydrophobicContact CD1-CB 4.11Å; L744-L759 HydrophobicContact CD1-CD1 4.36Å; A747-L759 HydrophobicContact CB-CD1 3.64Å; I755-L759 HydrophobicContact CG2-CD1 3.98Å; I755-L759 HydrophobicContact CG2-CG 4.45Å; I755-L759 WeakPolarHBondContact O-CB 3.49Å; I755-L759 WeakPolarHBondContact O-CG 3.35Å; I755-L759 PolarHBondContact O-N 2.74Å; A756-L759 PolarHBondContact O-N 2.54Å; L759-W761 VanDerWaalsContact C-N 3.3Å; L759-W761 PolarHBondContact O-N 2.89Å; L759-F762 CarbonylContact O-C 3.35Å; L759-F762 WeakPolarHBondContact O-CA 3.43Å; L759-F762 PolarHBondContact O-N 3.39Å; L759-F762 VanDerWaalsContact O-N 3.07Å; L759-N763 PolarHBondContact O-N 2.91Å; L759-A764 HydrophobicContact CB-CB 3.95Å; L759-A764 VanDerWaalsContact O-CB 3.25Å; L759-A764 WeakPolarHBondContact O-CB 3.4Å; L759-A764 PolarHBondContact O-N 2.98Å
760	I	94	Very high	93.3	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-38.8	173.2	-69.2	-67.6	0	0	0	111.5	L744 A756 Q757 L758 F762 N763 P766 I791 N795	L744-I760 HydrophobicContact CD1-CD1 4.34Å; L744-I760 HydrophobicContact CD1-CG1 4.26Å; L744-I760 HydrophobicContact CD2-CD1 3.79Å; A756-I760 WeakPolarHBondContact O-CG1 3.09Å; A756-I760 PolarHBondContact O-N 2.96Å; A756-I760 VanDerWaalsContact O-N 3.11Å; Q757-I760 PolarHBondContact O-N 2.81Å; L758-I760 VanDerWaalsContact C-N 3.33Å; L758-I760 PolarHBondContact O-N 2.85Å; I760-F762 VanDerWaalsContact C-N 3.28Å; I760-F762 PolarHBondContact O-N 3.33Å; I760-N763 PolarHBondContact O-N 3.42Å; I760-N763 VanDerWaalsContact O-N 3.12Å; I760-P766 HydrophobicContact CD1-CB 3.99Å; I760-P766 HydrophobicContact CD1-CG 4.18Å; I760-I791 HydrophobicContact CG1-CG2 4.36Å; I760-N795 HydrophobicContact CD1-CB 4.37Å; I760-N795 HydrophobicContact CG2-CB 4.35Å; I760-N795 WeakPolarHBondContact CG2-OD1 3.3Å
761	W	92.6	Very high	93.1	Very high	15 Å²	15	32 Å²	32	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-26.5	174.3	-69.6	-11.7	0	0	0	113.5	L604 N605 K627 H640 V643 L644 Q757 L758 L759 N763	L604-W761 VanDerWaalsContact C-CE3 3.44Å; L604-W761 HydrophobicContact CB-CD2 4.03Å; L604-W761 HydrophobicContact CB-CE3 4.2Å; L604-W761 HydrophobicContact CB-CH2 4.06Å; L604-W761 HydrophobicContact CB-CZ2 3.89Å; L604-W761 HydrophobicContact CB-CZ3 4.2Å; L604-W761 HydrophobicContact CD1-CZ2 4.34Å; L604-W761 HydrophobicContact CD2-CH2 4.02Å; L604-W761 HydrophobicContact CD2-CZ2 3.89Å; L604-W761 HydrophobicContact CG-CZ2 4.26Å; L604-W761 WeakPolarHBondContact O-CZ3 3.46Å; N605-W761 HydrophobicContact CB-CB 4.02Å; K627-W761 PolarHBondContact NZ-O 3.46Å; H640-W761 HydrophobicContact CB-CH2 4.31Å; H640-W761 HydrophobicContact CB-CZ2 3.85Å; H640-W761 AromaticContact CD2-CE2 3.99Å; H640-W761 AromaticContact CD2-CZ2 3.5Å; H640-W761 AromaticContact CD2-NE1 3.86Å; H640-W761 AromaticContact CG-CZ2 3.68Å; H640-W761 AromaticContact NE2-NE1 3.7Å; V643-W761 HydrophobicContact CB-CH2 3.75Å; V643-W761 HydrophobicContact CB-CZ3 3.61Å; V643-W761 HydrophobicContact CG1-CE3 4Å; V643-W761 HydrophobicContact CG1-CH2 4.05Å; V643-W761 HydrophobicContact CG1-CZ3 3.36Å; V643-W761 HydrophobicContact CG2-CH2 4.28Å; V643-W761 HydrophobicContact CG2-CZ3 4.23Å; L644-W761 HydrophobicContact CG-CH2 4.44Å; Q757-W761 HydrophobicContact CG-CZ2 4.21Å; Q757-W761 VanDerWaalsContact NE2-CD1 3.32Å; Q757-W761 VanDerWaalsContact NE2-NE1 3.12Å; Q757-W761 PolarHBondContact O-N 3.13Å; L758-W761 HydrophobicContact CD1-CE3 4.24Å; L758-W761 WeakPolarHBondContact O-CA 3.41Å; L758-W761 WeakPolarHBondContact O-CB 3.34Å; L758-W761 PolarHBondContact O-N 2.94Å; L759-W761 VanDerWaalsContact C-N 3.3Å; L759-W761 PolarHBondContact O-N 2.89Å; W761-N763 VanDerWaalsContact C-N 3.27Å; W761-N763 PolarHBondContact O-N 3.11Å
762	F	92.1	Very high	92.9	Very high	31 Å²	31	35.5 Å²	35.5	14%	0.136	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	19.5	170.5	-81.3	-95.4	0	0	0	113.7	N605 L723 V731 L758 L759 I760	N605-F762 WeakPolarHBondContact O-CE2 3.47Å; N605-F762 WeakPolarHBondContact O-CZ 3.38Å; L723-F762 HydrophobicContact CB-CD1 3.99Å; L723-F762 HydrophobicContact CB-CD2 4.18Å; L723-F762 HydrophobicContact CB-CE1 3.95Å; L723-F762 HydrophobicContact CB-CE2 4.14Å; L723-F762 HydrophobicContact CB-CG 4.11Å; L723-F762 HydrophobicContact CB-CZ 4.03Å; L723-F762 HydrophobicContact CD1-CD2 4.07Å; L723-F762 HydrophobicContact CD1-CE2 4.48Å; L723-F762 HydrophobicContact CD1-CG 4.37Å; L723-F762 HydrophobicContact CD2-CB 4.29Å; L723-F762 HydrophobicContact CD2-CG 4.36Å; L723-F762 WeakPolarHBondContact O-CD1 3.41Å; L723-F762 WeakPolarHBondContact O-CE1 3.48Å; V731-F762 HydrophobicContact CG1-CB 4.38Å; V731-F762 HydrophobicContact CG2-CB 4.21Å; L758-F762 HydrophobicContact CD1-CD2 4.08Å; L758-F762 HydrophobicContact CD1-CE2 3.84Å; L758-F762 HydrophobicContact CG-CD2 4.34Å; L758-F762 HydrophobicContact CG-CE2 4.42Å; L758-F762 WeakPolarHBondContact O-CD2 3.47Å; L758-F762 PolarHBondContact O-N 2.9Å; L759-F762 CarbonylContact O-C 3.35Å; L759-F762 WeakPolarHBondContact O-CA 3.43Å; L759-F762 PolarHBondContact O-N 3.39Å; L759-F762 VanDerWaalsContact O-N 3.07Å; I760-F762 VanDerWaalsContact C-N 3.28Å; I760-F762 PolarHBondContact O-N 3.33Å
763	N	90.8	Very high	92.6	Very high	85 Å²	85	35.1 Å²	35.1	46%	0.455	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	35.2	176.6	-57.5	4.4	0	0	0	114.6	K627 N732 L759 I760 W761	K627-N763 PolarHBondContact NZ-OD1 2.93Å; N732-N763 PolarHBondContact ND2-O 3.38Å; L759-N763 PolarHBondContact O-N 2.91Å; I760-N763 PolarHBondContact O-N 3.42Å; I760-N763 VanDerWaalsContact O-N 3.12Å; W761-N763 VanDerWaalsContact C-N 3.27Å; W761-N763 PolarHBondContact O-N 3.11Å
764	A	93.3	Very high	92.4	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	18%	0.183	C	C	.	.			trans	-60.9	139.7	161	0	0	0	0	0	110.8	V731 N732 L744 L759 P766	V731-A764 HydrophobicContact CG1-CB 3.87Å; N732-A764 WeakPolarHBondContact OD1-CA 3.38Å; L744-A764 HydrophobicContact CB-CB 4.12Å; L744-A764 HydrophobicContact CD2-CB 4.04Å; L744-A764 HydrophobicContact CG-CB 4.49Å; L759-A764 HydrophobicContact CB-CB 3.95Å; L759-A764 VanDerWaalsContact O-CB 3.25Å; L759-A764 WeakPolarHBondContact O-CB 3.4Å; L759-A764 PolarHBondContact O-N 2.98Å; A764-P766 VanDerWaalsContact O-CD 3.3Å; A764-P766 WeakPolarHBondContact O-CD 3.06Å
765	D	91.4	Very high	92.3	Very high	74 Å²	74	34.3 Å²	34.3	40%	0.396	17%	0.174	S	C	.	.			trans	-86.2	111.4	178.6	-174.3	2.5	0	0	0	111.1	N732 K767 A768	N732-D765 PolarHBondContact OD1-N 2.74Å; D765-K767 PolarHBondContact O-N 3.38Å; D765-K767 VanDerWaalsContact O-N 3.13Å; D765-K767 WeakPolarHBondContact OD1-CB 3.01Å; D765-K767 PolarHBondContact OD1-N 3.16Å; D765-A768 HydrophobicContact CB-CB 4.38Å; D765-A768 WeakPolarHBondContact O-CB 3.25Å; D765-A768 PolarHBondContact O-N 3.42Å
766	P	91.2	Very high	92.1	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.084	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.1	176.6	30.8	-36	0	0	0	113.7	L744 I760 A764 I792 N795 C797	L744-P766 HydrophobicContact CD2-CB 4.27Å; I760-P766 HydrophobicContact CD1-CB 3.99Å; I760-P766 HydrophobicContact CD1-CG 4.18Å; A764-P766 VanDerWaalsContact O-CD 3.3Å; A764-P766 WeakPolarHBondContact O-CD 3.06Å; P766-I792 HydrophobicContact CB-CD1 4.25Å; P766-I792 HydrophobicContact CB-CG2 4.47Å; P766-N795 HydrophobicContact CG-CB 4.22Å; P766-N795 WeakPolarHBondContact CG-O 3.44Å; P766-C797 HydrophobicContact CB-CB 4.25Å; P766-C797 WeakPolarHBondContact O-CB 3.33Å; P766-C797 PolarHBondContact O-SG 3.07Å
767	K	89.8	Confident	91.9	Very high	130 Å²	130	34.4 Å²	34.4	57%	0.565	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-0.9	177.9	-55.6	-180	179.9	-178.6	0	113.7	D765 G796	D765-K767 PolarHBondContact O-N 3.38Å; D765-K767 VanDerWaalsContact O-N 3.13Å; D765-K767 WeakPolarHBondContact OD1-CB 3.01Å; D765-K767 PolarHBondContact OD1-N 3.16Å; K767-G796 WeakPolarHBondContact CE-O 3.4Å
768	A	90.5	Very high	91.8	Very high	20 Å²	20	38.2 Å²	38.2	17%	0.165	19%	0.189	C	C	.	.			trans	-56.6	143.5	169.7	0	0	0	0	0	109.6	T742 H745 D765	T742-A768 HydrophobicContact CG2-CB 3.97Å; H745-A768 PolarHBondContact CE1-O 3.24Å; H745-A768 PolarHBondContact NE2-O 2.94Å; D765-A768 HydrophobicContact CB-CB 4.38Å; D765-A768 WeakPolarHBondContact O-CB 3.25Å; D765-A768 PolarHBondContact O-N 3.42Å
769	L	92.5	Very high	91.7	Very high	77 Å²	77	38.5 Å²	38.5	40%	0.403	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-119.6	146.9	175.4	-54.1	-179.1	0	0	0	109	R774	L769-R774 VanDerWaalsContact CA-O 3.31Å; L769-R774 WeakPolarHBondContact CA-O 3.38Å
770	D	90.9	Very high	91.6	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.048	19%	0.19	C	C	.	.			trans	-76.7	-167.5	170.9	69.2	8.1	0	0	0	112.4	R741 E772 G773 R774 Y779	R741-D770 HydrophobicContact CG-CB 4.16Å; D770-E772 VanDerWaalsContact C-N 3.35Å; D770-E772 WeakPolarHBondContact OD1-CA 3.27Å; D770-E772 PolarHBondContact OD1-N 3.48Å; D770-G773 PolarHBondContact O-N 3.07Å; D770-G773 PolarHBondContact OD1-N 2.83Å; D770-R774 PolarHBondContact N-O 3.28Å; D770-R774 PolarHBondContact OD1-N 2.95Å; D770-R774 IonicContact OD1-NE 2.79Å; D770-R774 WeakPolarHBondContact OD2-CB 3.36Å; D770-R774 IonicContact OD2-CZ 3.82Å; D770-R774 IonicContact OD2-NE 3.99Å; D770-R774 PolarHBondContact OD2-NE 3.33Å; D770-R774 IonicContact OD2-NH2 3.63Å; D770-R774 PolarHBondContact OD2-NH2 3.47Å; D770-Y779 PolarHBondContact OD2-OH 3.32Å
771	Q	89.3	Confident	91.5	Very high	84 Å²	84	40.3 Å²	40.3	39%	0.393	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.8	178.2	-178.5	57.8	81.7	0	0	113.1	R738 D739 R740 G773	R738-Q771 WeakPolarHBondContact O-CB 3.31Å; R738-Q771 WeakPolarHBondContact O-CG 3.39Å; D739-Q771 PolarHBondContact O-N 3.48Å; R740-Q771 HydrophobicContact CG-CB 4.27Å; Q771-G773 VanDerWaalsContact C-N 3.29Å
772	E	88.5	Confident	91.5	Very high	89 Å²	89	43 Å²	43	42%	0.416	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.7	177.3	-64.3	67.9	-138.4	0	0	112.6	D770 R774	D770-E772 VanDerWaalsContact C-N 3.35Å; D770-E772 WeakPolarHBondContact OD1-CA 3.27Å; D770-E772 PolarHBondContact OD1-N 3.48Å; E772-R774 HydrophobicContact CB-CG 4.02Å; E772-R774 VanDerWaalsContact CD-NH2 3.35Å; E772-R774 IonicContact OE2-CZ 3.34Å; E772-R774 IonicContact OE2-NE 2.87Å; E772-R774 IonicContact OE2-NH2 2.75Å; E772-R774 PolarHBondContact OE2-NH2 3.45Å
773	G	88.7	Confident	91.4	Very high	19 Å²	19	43 Å²	43	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	84.8	9.4	-178.5	0	0	0	0	0	114	D770 Q771	D770-G773 PolarHBondContact O-N 3.07Å; D770-G773 PolarHBondContact OD1-N 2.83Å; Q771-G773 VanDerWaalsContact C-N 3.29Å
774	R	91.1	Very high	91.1	Very high	47 Å²	47	46 Å²	46	18%	0.177	23%	0.233	C	C	.	.			trans	-79.4	141.8	178.3	-50.2	173.1	-72.3	-161.7	-8.5	109.2	H745 L769 D770 E772 W778 Y779	H745-R774 PolarHBondContact NE2-O 3.34Å; L769-R774 VanDerWaalsContact CA-O 3.31Å; L769-R774 WeakPolarHBondContact CA-O 3.38Å; D770-R774 PolarHBondContact N-O 3.28Å; D770-R774 PolarHBondContact OD1-N 2.95Å; D770-R774 IonicContact OD1-NE 2.79Å; D770-R774 WeakPolarHBondContact OD2-CB 3.36Å; D770-R774 IonicContact OD2-CZ 3.82Å; D770-R774 IonicContact OD2-NE 3.99Å; D770-R774 PolarHBondContact OD2-NE 3.33Å; D770-R774 IonicContact OD2-NH2 3.63Å; D770-R774 PolarHBondContact OD2-NH2 3.47Å; E772-R774 HydrophobicContact CB-CG 4.02Å; E772-R774 VanDerWaalsContact CD-NH2 3.35Å; E772-R774 IonicContact OE2-CZ 3.34Å; E772-R774 IonicContact OE2-NE 2.87Å; E772-R774 IonicContact OE2-NH2 2.75Å; E772-R774 PolarHBondContact OE2-NH2 3.45Å; R774-W778 HydrophobicContact CB-CB 4.18Å; R774-W778 HydrophobicContact CB-CD2 4.03Å; R774-W778 HydrophobicContact CB-CE3 4.18Å; R774-W778 HydrophobicContact CB-CG 4.04Å; R774-W778 HydrophobicContact CG-CD2 4.03Å; R774-W778 HydrophobicContact CG-CE3 4.32Å; R774-W778 HydrophobicContact CG-CG 4.3Å; R774-Y779 HydrophobicContact CB-CE2 4.17Å; R774-Y779 VanDerWaalsContact CZ-OH 3.25Å; R774-Y779 PolarHBondContact NE-OH 3.49Å; R774-Y779 PolarHBondContact NH2-OH 2.86Å; R774-Y779 VanDerWaalsContact NH2-OH 3.09Å
775	S	92	Very high	91	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-100.4	168	176.9	71.5	0	0	0	0	111.6	L777 W778 Y779	S775-L777 PolarHBondContact O-N 3.16Å; S775-L777 WeakPolarHBondContact OG-CB 3.37Å; S775-L777 PolarHBondContact OG-N 3.39Å; S775-W778 WeakPolarHBondContact O-CB 3.5Å; S775-W778 PolarHBondContact O-N 2.81Å; S775-Y779 PolarHBondContact O-N 3Å
776	A	92.8	Very high	91	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-53.3	-26.8	170.8	0	0	0	0	0	113.6	L744 H745 C748 A780 I792	L744-A776 HydrophobicContact CD2-CB 4.13Å; L744-A776 HydrophobicContact CG-CB 3.98Å; H745-A776 PolarHBondContact CD2-N 3.09Å; H745-A776 PolarHBondContact NE2-N 3.16Å; C748-A776 WeakPolarHBondContact CB-O 3.39Å; A776-A780 WeakPolarHBondContact O-CB 3.46Å; A776-A780 PolarHBondContact O-N 3.24Å; A776-A780 VanDerWaalsContact O-N 3.07Å; A776-I792 HydrophobicContact CB-CD1 4.04Å
777	L	92.9	Very high	91	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-41.6	175.2	-177.2	58.2	0	0	0	112	S775 Y779 A780 Q781 V789 I792 R793	S775-L777 PolarHBondContact O-N 3.16Å; S775-L777 WeakPolarHBondContact OG-CB 3.37Å; S775-L777 PolarHBondContact OG-N 3.39Å; L777-Y779 PolarHBondContact O-N 3.22Å; L777-A780 PolarHBondContact O-N 3.5Å; L777-Q781 WeakPolarHBondContact O-CG 3.24Å; L777-Q781 PolarHBondContact O-N 3.01Å; L777-Q781 PolarHBondContact O-OE1 3.27Å; L777-V789 HydrophobicContact CD1-CG1 4.08Å; L777-V789 HydrophobicContact CD1-CG2 4.49Å; L777-I792 HydrophobicContact CB-CG2 3.74Å; L777-I792 HydrophobicContact CD1-CB 4.43Å; L777-I792 HydrophobicContact CD1-CG2 4.14Å; L777-I792 HydrophobicContact CG-CG2 4.47Å; L777-R793 HydrophobicContact CD1-CG 3.94Å; L777-R793 HydrophobicContact CD2-CG 4.37Å
778	W	92.7	Very high	91.2	Very high	82 Å²	82	41.2 Å²	41.2	31%	0.311	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-46.5	177.2	-176.5	98.3	0	0	0	110.9	R774 S775 A780 Q781 N782	R774-W778 HydrophobicContact CB-CB 4.18Å; R774-W778 HydrophobicContact CB-CD2 4.03Å; R774-W778 HydrophobicContact CB-CE3 4.18Å; R774-W778 HydrophobicContact CB-CG 4.04Å; R774-W778 HydrophobicContact CG-CD2 4.03Å; R774-W778 HydrophobicContact CG-CE3 4.32Å; R774-W778 HydrophobicContact CG-CG 4.3Å; S775-W778 WeakPolarHBondContact O-CB 3.5Å; S775-W778 PolarHBondContact O-N 2.81Å; W778-A780 VanDerWaalsContact C-N 3.35Å; W778-A780 PolarHBondContact O-N 2.8Å; W778-Q781 PolarHBondContact O-N 2.67Å; W778-N782 WeakPolarHBondContact CH2-ND2 3.36Å; W778-N782 WeakPolarHBondContact CZ2-ND2 3.35Å; W778-N782 WeakPolarHBondContact CZ3-ND2 3.42Å; W778-N782 PolarHBondContact O-N 2.66Å; W778-N782 PolarHBondContact O-OD1 2.86Å
779	Y	93.3	Very high	91.3	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-38.3	176.3	-76.2	-80.3	0	0	0	112.8	R741 H745 A749 D770 R774 S775 L777 Q781 N782 S783	R741-Y779 WeakPolarHBondContact CD-OH 3.49Å; H745-Y779 HydrophobicContact CB-CD2 4.09Å; H745-Y779 HydrophobicContact CB-CE2 4.16Å; H745-Y779 AromaticContact CD2-CD2 3.63Å; H745-Y779 AromaticContact CD2-CE2 3.63Å; A749-Y779 HydrophobicContact CB-CD1 3.53Å; A749-Y779 HydrophobicContact CB-CE1 4.3Å; A749-Y779 HydrophobicContact CB-CG 4.16Å; D770-Y779 PolarHBondContact OD2-OH 3.32Å; R774-Y779 HydrophobicContact CB-CE2 4.17Å; R774-Y779 VanDerWaalsContact CZ-OH 3.25Å; R774-Y779 PolarHBondContact NE-OH 3.49Å; R774-Y779 PolarHBondContact NH2-OH 2.86Å; R774-Y779 VanDerWaalsContact NH2-OH 3.09Å; S775-Y779 PolarHBondContact O-N 3Å; L777-Y779 PolarHBondContact O-N 3.22Å; Y779-Q781 VanDerWaalsContact C-N 3.32Å; Y779-Q781 PolarHBondContact O-N 2.84Å; Y779-N782 PolarHBondContact O-N 3.39Å; Y779-S783 WeakPolarHBondContact O-CB 3.36Å; Y779-S783 PolarHBondContact O-N 3.23Å; Y779-S783 PolarHBondContact O-OG 2.83Å; Y779-S783 VanDerWaalsContact O-OG 3.11Å
780	A	93	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-32.6	176.1	0	0	0	0	0	113	C748 A776 L777 W778 S783 S785 C788 V789	C748-A780 HydrophobicContact CB-CB 4.03Å; A776-A780 WeakPolarHBondContact O-CB 3.46Å; A776-A780 PolarHBondContact O-N 3.24Å; A776-A780 VanDerWaalsContact O-N 3.07Å; L777-A780 PolarHBondContact O-N 3.5Å; W778-A780 VanDerWaalsContact C-N 3.35Å; W778-A780 PolarHBondContact O-N 2.8Å; A780-S783 PolarHBondContact O-OG 3.2Å; A780-S785 PolarHBondContact O-N 3.39Å; A780-C788 HydrophobicContact CB-CB 3.6Å; A780-V789 HydrophobicContact CB-CG2 3.75Å
781	Q	92.4	Very high	91.4	Very high	54 Å²	54	41.5 Å²	41.5	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-71.7	-46.2	174.4	-70.7	171.1	-73.7	0	0	110.8	L777 W778 Y779 S783 N784 V789 E800	L777-Q781 WeakPolarHBondContact O-CG 3.24Å; L777-Q781 PolarHBondContact O-N 3.01Å; L777-Q781 PolarHBondContact O-OE1 3.27Å; W778-Q781 PolarHBondContact O-N 2.67Å; Y779-Q781 VanDerWaalsContact C-N 3.32Å; Y779-Q781 PolarHBondContact O-N 2.84Å; Q781-S783 PolarHBondContact O-N 3.04Å; Q781-N784 PolarHBondContact O-N 3.04Å; Q781-V789 HydrophobicContact CG-CG2 3.76Å; Q781-E800 PolarHBondContact NE2-OE1 3.09Å
782	N	91.6	Very high	91.5	Very high	73 Å²	73	37.5 Å²	37.5	39%	0.39	19%	0.193	S	C	.	.	H	α-helix	trans	-70.9	-27.4	-178.4	-73.6	19.8	0	0	0	113.7	W778 Y779 N784	W778-N782 WeakPolarHBondContact CH2-ND2 3.36Å; W778-N782 WeakPolarHBondContact CZ2-ND2 3.35Å; W778-N782 WeakPolarHBondContact CZ3-ND2 3.42Å; W778-N782 PolarHBondContact O-N 2.66Å; W778-N782 PolarHBondContact O-OD1 2.86Å; Y779-N782 PolarHBondContact O-N 3.39Å; N782-N784 PolarHBondContact O-N 2.81Å
783	S	90.1	Very high	91.6	Very high	29 Å²	29	39.4 Å²	39.4	20%	0.203	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.5	170.8	67.6	0	0	0	0	113.9	C748 A749 Y779 A780 Q781 S785	C748-S783 VanDerWaalsContact O-CB 3.32Å; C748-S783 WeakPolarHBondContact O-CB 3.31Å; C748-S783 PolarHBondContact O-OG 3.05Å; A749-S783 VanDerWaalsContact O-CB 3.27Å; A749-S783 WeakPolarHBondContact O-CB 3.38Å; Y779-S783 WeakPolarHBondContact O-CB 3.36Å; Y779-S783 PolarHBondContact O-N 3.23Å; Y779-S783 PolarHBondContact O-OG 2.83Å; Y779-S783 VanDerWaalsContact O-OG 3.11Å; A780-S783 PolarHBondContact O-OG 3.2Å; Q781-S783 PolarHBondContact O-N 3.04Å; S783-S785 PolarHBondContact O-N 3.45Å
784	N	86.2	Confident	91.5	Very high	149 Å²	149	43.9 Å²	43.9	80%	0.797	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	18.9	-173.6	-62.4	-76.4	0	0	0	114.5	Q781 N782 S786	Q781-N784 PolarHBondContact O-N 3.04Å; N782-N784 PolarHBondContact O-N 2.81Å; N784-S786 PolarHBondContact O-N 3.41Å
785	S	90	Very high	91.2	Very high	13 Å²	13	44.8 Å²	44.8	9%	0.091	22%	0.22	C	C	.	.			trans	-84.5	91.8	-179.6	-174.5	0	0	0	0	111.1	G751 A780 S783 E787 C788 V789	G751-S785 WeakPolarHBondContact O-CB 3.15Å; G751-S785 PolarHBondContact O-OG 3.36Å; A780-S785 PolarHBondContact O-N 3.39Å; S783-S785 PolarHBondContact O-N 3.45Å; S785-E787 PolarHBondContact O-N 2.99Å; S785-E787 VanDerWaalsContact O-N 3.14Å; S785-C788 PolarHBondContact O-N 3.35Å; S785-C788 VanDerWaalsContact O-N 3.16Å; S785-C788 PolarHBondContact OG-N 3.42Å; S785-C788 PolarHBondContact OG-SG 2.92Å; S785-C788 VanDerWaalsContact OG-SG 3.34Å; S785-V789 WeakPolarHBondContact O-CG2 3.45Å; S785-V789 PolarHBondContact O-N 3.41Å
786	S	91.1	Very high	90.3	Very high	53 Å²	53	46.1 Å²	46.1	37%	0.371	24%	0.235	S	C	.	.	H	α-helix	trans	-58.6	-29.1	-179	95	0	0	0	0	112.5	N784 K790	N784-S786 PolarHBondContact O-N 3.41Å; S786-K790 WeakPolarHBondContact O-CD 3.4Å; S786-K790 WeakPolarHBondContact O-CG 3.25Å; S786-K790 PolarHBondContact O-N 3.05Å; S786-K790 PolarHBondContact OG-NZ 3.33Å
787	E	92.5	Very high	89	Confident	56 Å²	56	46.5 Å²	46.5	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-69.4	-50.3	177.9	-72	51.1	-125.3	0	0	110.7	W642 P753 S785 V789 K790 I791	W642-E787 HydrophobicContact CH2-CG 3.67Å; W642-E787 HydrophobicContact CZ3-CB 4.15Å; W642-E787 HydrophobicContact CZ3-CG 3.65Å; P753-E787 HydrophobicContact CB-CB 3.66Å; P753-E787 HydrophobicContact CG-CB 3.9Å; P753-E787 HydrophobicContact CG-CG 4.46Å; S785-E787 PolarHBondContact O-N 2.99Å; S785-E787 VanDerWaalsContact O-N 3.14Å; E787-V789 VanDerWaalsContact C-N 3.3Å; E787-V789 PolarHBondContact O-N 3.47Å; E787-K790 WeakPolarHBondContact O-CB 3.44Å; E787-K790 PolarHBondContact O-N 2.85Å; E787-K790 IonicContact OE1-NZ 3.81Å; E787-K790 PolarHBondContact OE1-NZ 3.15Å; E787-I791 WeakPolarHBondContact O-CG1 3.46Å; E787-I791 PolarHBondContact O-N 2.91Å
788	C	93.4	Very high	87.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-41.2	172.4	-70.9	0	0	0	0	111.5	A780 S785 K790 I791 I792	A780-C788 HydrophobicContact CB-CB 3.6Å; S785-C788 PolarHBondContact O-N 3.35Å; S785-C788 VanDerWaalsContact O-N 3.16Å; S785-C788 PolarHBondContact OG-N 3.42Å; S785-C788 PolarHBondContact OG-SG 2.92Å; S785-C788 VanDerWaalsContact OG-SG 3.34Å; C788-K790 VanDerWaalsContact C-N 3.33Å; C788-K790 PolarHBondContact O-N 2.74Å; C788-I791 PolarHBondContact O-N 2.79Å; C788-I792 WeakPolarHBondContact O-CB 3.22Å; C788-I792 VanDerWaalsContact O-CG1 3.31Å; C788-I792 WeakPolarHBondContact O-CG1 3.34Å; C788-I792 PolarHBondContact O-N 3.14Å
789	V	93	Very high	85.6	Confident	22 Å²	22	54.1 Å²	54.1	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-41	175.9	172.8	0	0	0	0	111.7	L777 A780 Q781 S785 E787 R793	L777-V789 HydrophobicContact CD1-CG1 4.08Å; L777-V789 HydrophobicContact CD1-CG2 4.49Å; A780-V789 HydrophobicContact CB-CG2 3.75Å; Q781-V789 HydrophobicContact CG-CG2 3.76Å; S785-V789 WeakPolarHBondContact O-CG2 3.45Å; S785-V789 PolarHBondContact O-N 3.41Å; E787-V789 VanDerWaalsContact C-N 3.3Å; E787-V789 PolarHBondContact O-N 3.47Å; V789-R793 WeakPolarHBondContact O-CB 3.46Å; V789-R793 VanDerWaalsContact O-CG 3.27Å; V789-R793 WeakPolarHBondContact O-CG 3.39Å; V789-R793 PolarHBondContact O-N 3.49Å; V789-R793 VanDerWaalsContact O-N 3.14Å
790	K	92	Very high	83.6	Confident	90 Å²	90	58.3 Å²	58.3	39%	0.391	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-51	174.1	-69.4	156.8	-163.2	160.4	0	111	S786 E787 C788 I792 R793 Q794	S786-K790 WeakPolarHBondContact O-CD 3.4Å; S786-K790 WeakPolarHBondContact O-CG 3.25Å; S786-K790 PolarHBondContact O-N 3.05Å; S786-K790 PolarHBondContact OG-NZ 3.33Å; E787-K790 WeakPolarHBondContact O-CB 3.44Å; E787-K790 PolarHBondContact O-N 2.85Å; E787-K790 IonicContact OE1-NZ 3.81Å; E787-K790 PolarHBondContact OE1-NZ 3.15Å; C788-K790 VanDerWaalsContact C-N 3.33Å; C788-K790 PolarHBondContact O-N 2.74Å; K790-I792 PolarHBondContact O-N 2.89Å; K790-R793 PolarHBondContact O-N 2.73Å; K790-Q794 WeakPolarHBondContact O-CB 3.24Å; K790-Q794 VanDerWaalsContact O-CG 3.25Å; K790-Q794 WeakPolarHBondContact O-CG 3.49Å; K790-Q794 PolarHBondContact O-N 2.71Å
791	I	92.4	Very high	81.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-56.4	-50.9	-179.1	-67.2	160.8	0	0	0	111.1	E639 P753 Q757 I760 E787 C788 Q794 N795	E639-I791 HydrophobicContact CB-CD1 4.24Å; E639-I791 HydrophobicContact CB-CG1 4.02Å; E639-I791 HydrophobicContact CG-CD1 4.12Å; E639-I791 HydrophobicContact CG-CG1 3.71Å; P753-I791 HydrophobicContact CB-CD1 3.58Å; P753-I791 WeakPolarHBondContact O-CD1 3.46Å; Q757-I791 HydrophobicContact CB-CD1 4.09Å; I760-I791 HydrophobicContact CG1-CG2 4.36Å; E787-I791 WeakPolarHBondContact O-CG1 3.46Å; E787-I791 PolarHBondContact O-N 2.91Å; C788-I791 PolarHBondContact O-N 2.79Å; I791-Q794 PolarHBondContact O-N 3.13Å; I791-N795 PolarHBondContact O-N 3.38Å; I791-N795 VanDerWaalsContact O-N 3.08Å; I791-N795 PolarHBondContact O-ND2 3.41Å
792	I	92.7	Very high	79.2	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.5	-39.2	-175.5	-65.4	-63.2	0	0	0	111.6	L744 P766 A776 L777 C788 K790 N795 G796 C797	L744-I792 HydrophobicContact CD1-CD1 4.08Å; L744-I792 HydrophobicContact CD2-CD1 3.96Å; L744-I792 HydrophobicContact CG-CD1 4.16Å; P766-I792 HydrophobicContact CB-CD1 4.25Å; P766-I792 HydrophobicContact CB-CG2 4.47Å; A776-I792 HydrophobicContact CB-CD1 4.04Å; L777-I792 HydrophobicContact CB-CG2 3.74Å; L777-I792 HydrophobicContact CD1-CB 4.43Å; L777-I792 HydrophobicContact CD1-CG2 4.14Å; L777-I792 HydrophobicContact CG-CG2 4.47Å; C788-I792 WeakPolarHBondContact O-CB 3.22Å; C788-I792 VanDerWaalsContact O-CG1 3.31Å; C788-I792 WeakPolarHBondContact O-CG1 3.34Å; C788-I792 PolarHBondContact O-N 3.14Å; K790-I792 PolarHBondContact O-N 2.89Å; I792-N795 PolarHBondContact O-N 3.01Å; I792-G796 PolarHBondContact O-N 3.37Å; I792-C797 HydrophobicContact CG2-CB 3.61Å; I792-C797 PolarHBondContact O-N 2.94Å
793	R	90.5	Very high	76.7	Confident	130 Å²	130	65.6 Å²	65.6	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-43.6	174.6	-74.1	177.4	175.2	-177.6	-0.6	112.4	L777 V789 K790 N795 G796	L777-R793 HydrophobicContact CD1-CG 3.94Å; L777-R793 HydrophobicContact CD2-CG 4.37Å; V789-R793 WeakPolarHBondContact O-CB 3.46Å; V789-R793 VanDerWaalsContact O-CG 3.27Å; V789-R793 WeakPolarHBondContact O-CG 3.39Å; V789-R793 PolarHBondContact O-N 3.49Å; V789-R793 VanDerWaalsContact O-N 3.14Å; K790-R793 PolarHBondContact O-N 2.73Å; R793-N795 VanDerWaalsContact C-N 3.26Å; R793-N795 PolarHBondContact O-N 3.26Å; R793-G796 PolarHBondContact O-N 2.91Å; R793-G796 VanDerWaalsContact O-N 3.16Å
794	Q	86.4	Confident	74.3	Confident	112 Å²	112	72.1 Å²	72.1	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-35.5	176.6	-73.3	173.9	23.7	0	0	112.3	E639 K790 I791 G796	E639-Q794 PolarHBondContact OE1-NE2 3.34Å; K790-Q794 WeakPolarHBondContact O-CB 3.24Å; K790-Q794 VanDerWaalsContact O-CG 3.25Å; K790-Q794 WeakPolarHBondContact O-CG 3.49Å; K790-Q794 PolarHBondContact O-N 2.71Å; I791-Q794 PolarHBondContact O-N 3.13Å; Q794-G796 VanDerWaalsContact C-N 3.26Å; Q794-G796 PolarHBondContact O-N 3.32Å
795	N	84.3	Confident	72	Confident	66 Å²	66	73.7 Å²	73.7	35%	0.353	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	12.8	179.5	-70.5	-81.9	0	0	0	114.1	I760 P766 I791 I792 R793	I760-N795 HydrophobicContact CD1-CB 4.37Å; I760-N795 HydrophobicContact CG2-CB 4.35Å; I760-N795 WeakPolarHBondContact CG2-OD1 3.3Å; P766-N795 HydrophobicContact CG-CB 4.22Å; P766-N795 WeakPolarHBondContact CG-O 3.44Å; I791-N795 PolarHBondContact O-N 3.38Å; I791-N795 VanDerWaalsContact O-N 3.08Å; I791-N795 PolarHBondContact O-ND2 3.41Å; I792-N795 PolarHBondContact O-N 3.01Å; R793-N795 VanDerWaalsContact C-N 3.26Å; R793-N795 PolarHBondContact O-N 3.26Å
796	G	73.9	Confident	69.2	Low	32 Å²	32	76.4 Å²	76.4	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	15	162.3	0	0	0	0	0	116.3	K767 I792 R793 Q794	K767-G796 WeakPolarHBondContact CE-O 3.4Å; I792-G796 PolarHBondContact O-N 3.37Å; R793-G796 PolarHBondContact O-N 2.91Å; R793-G796 VanDerWaalsContact O-N 3.16Å; Q794-G796 VanDerWaalsContact C-N 3.26Å; Q794-G796 PolarHBondContact O-N 3.32Å
797	C	63.9	Low	66.4	Low	8 Å²	8	79.9 Å²	79.9	5%	0.054	44%	0.436	C	S	.	.			trans	-89.3	101.4	164.5	-165.4	0	0	0	0	109	P766 I792	P766-C797 HydrophobicContact CB-CB 4.25Å; P766-C797 WeakPolarHBondContact O-CB 3.33Å; P766-C797 PolarHBondContact O-SG 3.07Å; I792-C797 HydrophobicContact CG2-CB 3.61Å; I792-C797 PolarHBondContact O-N 2.94Å
798	S	58.5	Low	63.4	Low	85 Å²	85	81.3 Å²	81.3	59%	0.594	47%	0.465	S	S	*	.			trans	-115.7	8.8	-168.1	59.2	0	0	0	0	114.4
799	F	56.4	Low	60.3	Low	158 Å²	158	84.9 Å²	84.9	69%	0.693	50%	0.502	S	S	*	.			trans	-137.7	132.9	-177.6	-63.3	-79.2	0	0	0	110.1
800	E	51.7	Low	57.4	Low	94 Å²	94	91 Å²	91	44%	0.439	54%	0.535	S	S	.	.			trans	-77	122.9	160.7	-72.1	164.2	-155.1	0	0	107.4	Q781 Q802	Q781-E800 PolarHBondContact NE2-OE1 3.09Å; E800-Q802 PolarHBondContact O-N 3Å
801	V	47.5	Very low	54.5	Low	71 Å²	71	90.7 Å²	90.7	43%	0.43	54%	0.544	S	S	.	.			trans	-88	99.5	164	-178.8	0	0	0	0	105.4
802	Q	45.3	Very low	51.6	Low	151 Å²	151	101.4 Å²	101.4	71%	0.706	58%	0.584	S	S	*	*			trans	-76.8	120.6	171	-67.8	178.7	-10.8	0	0	107.6	E800	E800-Q802 PolarHBondContact O-N 3Å
803	S	39.8	Very low	48.7	Very low	58 Å²	58	106.4 Å²	106.4	41%	0.406	62%	0.619	S	S	.	*			trans	-74.4	126.9	164.9	41	0	0	0	0	108.6	E805	S803-E805 PolarHBondContact O-N 3.43Å
804	D	37.9	Very low	45.9	Very low	167 Å²	167	112 Å²	112	89%	0.893	64%	0.64	S	S	*	*			trans	-71.6	75.5	177.4	-83	-41.9	0	0	0	111.3	G806	D804-G806 VanDerWaalsContact C-N 3.32Å; D804-G806 PolarHBondContact O-N 3.45Å; D804-G806 VanDerWaalsContact O-N 3.08Å
805	E	38.4	Very low	43.1	Very low	181 Å²	181	116 Å²	116	85%	0.846	66%	0.659	S	S	*	*			trans	-78.6	79.6	167.9	-77.9	-73	147.8	0	0	110.4	S803	S803-E805 PolarHBondContact O-N 3.43Å
806	G	31.4	Very low	40.6	Very low	71 Å²	71	117.7 Å²	117.7	73%	0.732	68%	0.682	S	S	*	*	S	Bend	trans	90.5	81.4	147.2	0	0	0	0	0	119.6	D804	D804-G806 VanDerWaalsContact C-N 3.32Å; D804-G806 PolarHBondContact O-N 3.45Å; D804-G806 VanDerWaalsContact O-N 3.08Å
807	S	33.3	Very low	38.6	Very low	125 Å²	125	121.5 Å²	121.5	87%	0.874	70%	0.703	S	S	*	*				-154.2	146.7	130	60	0	0	0	0	110.6
808	G	29	Very low	36.8	Very low	86 Å²	86	128.7 Å²	128.7	89%	0.887	73%	0.73	S	S	*	*			trans	-77.2	148.8	-162.2	0	0	0	0	0	115.3
809	G	28.9	Very low	35.4	Very low	75 Å²	75	131 Å²	131	77%	0.773	75%	0.745	S	S	*	*			trans	167.7	68	176.9	0	0	0	0	0	115.8
810	D	31.5	Very low	33.9	Very low	152 Å²	152	130.1 Å²	130.1	81%	0.813	74%	0.743	S	S	*	*			trans	54.1	127.5	149.1	-117.9	-44.8	0	0	0	122.8
811	S	31.2	Very low	32.8	Very low	83 Å²	83	131.2 Å²	131.2	58%	0.58	76%	0.761	S	S	*	*			trans	75.6	104.8	137.5	-78.7	0	0	0	0	122.6
812	R	31.7	Very low	32.1	Very low	225 Å²	225	132.8 Å²	132.8	85%	0.849	78%	0.775	S	S	*	*				92.8	102.3	127.8	-66.1	173.4	174.8	167.7	-0.6	120.3
813	S	30.8	Very low	31.4	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	77%	0.774	S	S	*	*				80.3	109.9	126.5	72	0	0	0	0	119.7
814	R	32.4	Very low	31	Very low	247 Å²	247	135.5 Å²	135.5	93%	0.932	80%	0.798	S	S	*	*				-161.9	119.3	103	-101.6	160.9	-175.1	-176	1.5	111.6
815	Q	27	Very low	30.6	Very low	197 Å²	197	130.8 Å²	130.8	92%	0.921	79%	0.788	S	S	*	*			trans	-74.7	146	174.4	-68.8	158.9	-61.8	0	0	111.2
816	A	31.4	Very low	30.1	Very low	101 Å²	101	130 Å²	130	84%	0.835	79%	0.79	S	S	*	*			trans	-136	109.9	146.3	0	0	0	0	0	107.8
817	S	32.2	Very low	30.1	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	79%	0.793	S	S	*	*			trans	-56.5	130.4	179.2	43	0	0	0	0	112.1
818	Y	26.9	Very low	29.9	Very low	160 Å²	160	131.7 Å²	131.7	63%	0.627	79%	0.789	S	S	*	*				58.3	115.1	80.9	-168.9	-82.6	0	0	0	114.8	Q820	Y818-Q820 HydrophobicContact CD2-CG 4.27Å; Y818-Q820 HydrophobicContact CE2-CB 4.11Å; Y818-Q820 HydrophobicContact CE2-CG 3.6Å; Y818-Q820 PolarHBondContact OH-OE1 3.42Å
819	C	28.2	Very low	30.1	Very low	133 Å²	133	137.5 Å²	137.5	90%	0.899	79%	0.79	S	S	*	*			trans	-150.4	105.6	138.7	-93.7	0	0	0	0	107.9
820	Q	25.4	Very low	30.4	Very low	140 Å²	140	136.7 Å²	136.7	65%	0.654	78%	0.776	S	S	*	*			trans	-97.3	141	163.2	-61.7	174	-12.6	0	0	108.6	Y818	Y818-Q820 HydrophobicContact CD2-CG 4.27Å; Y818-Q820 HydrophobicContact CE2-CB 4.11Å; Y818-Q820 HydrophobicContact CE2-CG 3.6Å; Y818-Q820 PolarHBondContact OH-OE1 3.42Å
821	S	29.3	Very low	30.5	Very low	117 Å²	117	132 Å²	132	82%	0.818	76%	0.755	S	S	*	*				157.5	109.3	124.7	64.3	0	0	0	0	113.9
822	S	32.7	Very low	30.7	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	74%	0.743	S	S	*	*			trans	171.1	102.4	146.7	52.6	0	0	0	0	105.8
823	S	30.3	Very low	31.4	Very low	98 Å²	98	122 Å²	122	69%	0.685	73%	0.725	S	S	*	*				58.5	138.2	77.4	73.5	0	0	0	0	112.8
824	D	30.4	Very low	32.2	Very low	167 Å²	167	117.9 Å²	117.9	89%	0.893	70%	0.695	S	S	*	*			trans	74.1	136.4	-171.2	-39.7	-29.7	0	0	0	113
825	G	29.8	Very low	32.9	Very low	68 Å²	68	107.8 Å²	107.8	70%	0.701	66%	0.658	S	S	*	*			cis	-179.7	147.1	-6.8	0	0	0	0	0	108.5
826	D	28.8	Very low	33.9	Very low	166 Å²	166	105.2 Å²	105.2	89%	0.888	65%	0.646	S	S	*	*			trans	27.1	87.2	170.9	-74	-38.9	0	0	0	119.8
827	C	30.2	Very low	34.5	Very low	115 Å²	115	106.9 Å²	106.9	78%	0.777	64%	0.641	S	S	*	*			trans	-148.1	6.4	158.6	-114.7	0	0	0	0	114.9	K829	C827-K829 VanDerWaalsContact C-N 3.31Å; C827-K829 PolarHBondContact O-N 3.48Å; C827-K829 VanDerWaalsContact O-N 3.11Å
828	S	30.8	Very low	35	Very low	115 Å²	115	102.3 Å²	102.3	80%	0.804	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	17.6	-163.7	57.1	0	0	0	0	116.8
829	K	32.9	Very low	35.7	Very low	208 Å²	208	98.1 Å²	98.1	90%	0.904	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-7	-177.6	-75.4	-175.1	176.9	176.1	0	116	C827	C827-K829 VanDerWaalsContact C-N 3.31Å; C827-K829 PolarHBondContact O-N 3.48Å; C827-K829 VanDerWaalsContact O-N 3.11Å
830	A	35.2	Very low	36.5	Very low	58 Å²	58	96.5 Å²	96.5	48%	0.479	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-50.2	176.4	0	0	0	0	0	112.6	G832 S833	A830-G832 PolarHBondContact O-N 3.2Å; A830-S833 PolarHBondContact O-OG 2.73Å
831	C	33.3	Very low	37.1	Very low	54 Å²	54	93.4 Å²	93.4	37%	0.365	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-3.4	-171.2	-63.4	0	0	0	0	117	F835	C831-F835 WeakPolarHBondContact O-CD2 3.45Å
832	G	35.2	Very low	37.6	Very low	33 Å²	33	88.2 Å²	88.2	34%	0.34	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	-43.4	-179.6	0	0	0	0	0	113.3	A830 V834 F835 E836	A830-G832 PolarHBondContact O-N 3.2Å; G832-V834 VanDerWaalsContact C-N 3.34Å; G832-V834 PolarHBondContact O-N 3.09Å; G832-F835 PolarHBondContact O-N 3.37Å; G832-E836 WeakPolarHBondContact O-CG 3.46Å; G832-E836 PolarHBondContact O-N 3.38Å
833	S	46.1	Very low	38	Very low	65 Å²	65	90.2 Å²	90.2	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-26.8	-168.8	59.6	0	0	0	0	114.5	A830 F835 N837	A830-S833 PolarHBondContact O-OG 2.73Å; S833-F835 VanDerWaalsContact C-N 3.29Å; S833-F835 PolarHBondContact O-N 2.92Å; S833-N837 PolarHBondContact O-ND2 2.69Å
834	V	47.4	Very low	38.4	Very low	18 Å²	18	89.8 Å²	89.8	11%	0.109	55%	0.548	C	S	.	.	H	α-helix	trans	-66.9	-32.2	-179.1	-177.8	0	0	0	0	111.6	G832	G832-V834 VanDerWaalsContact C-N 3.34Å; G832-V834 PolarHBondContact O-N 3.09Å
835	F	47.4	Very low	38.8	Very low	35 Å²	35	85.7 Å²	85.7	15%	0.154	53%	0.529	C	S	.	.	H	α-helix	trans	-97.8	-29.3	-177.9	-59.1	-71.4	0	0	0	113.2	L735 D739 L746 C831 G832 S833 N837 L838	L735-F835 HydrophobicContact CD1-CE2 4.41Å; L735-F835 HydrophobicContact CD1-CZ 4.17Å; D739-F835 WeakPolarHBondContact OD2-CE1 3.29Å; D739-F835 WeakPolarHBondContact OD2-CZ 3.37Å; L746-F835 HydrophobicContact CD2-CE1 4.21Å; C831-F835 WeakPolarHBondContact O-CD2 3.45Å; G832-F835 PolarHBondContact O-N 3.37Å; S833-F835 VanDerWaalsContact C-N 3.29Å; S833-F835 PolarHBondContact O-N 2.92Å; F835-N837 PolarHBondContact O-N 2.56Å; F835-L838 HydrophobicContact CB-CD1 4.38Å; F835-L838 HydrophobicContact CD1-CD1 3.78Å; F835-L838 WeakPolarHBondContact O-CB 3.48Å; F835-L838 PolarHBondContact O-N 3.08Å
836	E	47.9	Very low	39.3	Very low	144 Å²	144	86.7 Å²	86.7	67%	0.673	52%	0.52	S	S	*	.	H	α-helix	trans	-64.2	-22.3	176.8	-74.5	169.4	-177.4	0	0	113.9	G832	G832-E836 WeakPolarHBondContact O-CG 3.46Å; G832-E836 PolarHBondContact O-N 3.38Å
837	N	43.8	Very low	39.9	Very low	136 Å²	136	82.1 Å²	82.1	73%	0.727	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	6.2	179.6	-70.9	-73.2	0	0	0	114.1	S833 F835	S833-N837 PolarHBondContact O-ND2 2.69Å; F835-N837 PolarHBondContact O-N 2.56Å
838	L	43.8	Very low	40.5	Very low	14 Å²	14	80 Å²	80	7%	0.073	48%	0.481	C	S	.	.	S	Bend	trans	-78.4	151.9	176.6	-70.3	168	0	0	0	110.9	C712 L746 F835 V842 I843	C712-L838 HydrophobicContact CB-CD2 4.32Å; L746-L838 HydrophobicContact CD2-CD1 4.43Å; F835-L838 HydrophobicContact CB-CD1 4.38Å; F835-L838 HydrophobicContact CD1-CD1 3.78Å; F835-L838 WeakPolarHBondContact O-CB 3.48Å; F835-L838 PolarHBondContact O-N 3.08Å; L838-V842 HydrophobicContact CB-CB 4.04Å; L838-V842 HydrophobicContact CB-CG1 3.86Å; L838-V842 HydrophobicContact CD1-CG1 3.77Å; L838-V842 HydrophobicContact CD2-CG1 4.08Å; L838-V842 HydrophobicContact CG-CG1 4.11Å; L838-I843 HydrophobicContact CB-CG1 4.17Å; L838-I843 WeakPolarHBondContact O-CD1 3.08Å
839	P	40.2	Very low	41.2	Very low	73 Å²	73	77.7 Å²	77.7	47%	0.474	46%	0.459	S	S	.	.			trans	-54.9	149.9	174.3	-23.8	33.4	0	0	0	111.4	S841 V842 I843	P839-S841 PolarHBondContact O-N 3.31Å; P839-V842 HydrophobicContact CB-CG2 4.38Å; P839-V842 HydrophobicContact CG-CG2 4.41Å; P839-V842 WeakPolarHBondContact O-CA 3.42Å; P839-V842 WeakPolarHBondContact O-CB 3.27Å; P839-V842 PolarHBondContact O-N 3.07Å; P839-I843 PolarHBondContact O-N 2.91Å
840	A	45.4	Very low	41.8	Very low	99 Å²	99	68.4 Å²	68.4	82%	0.818	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	0.9	178.8	0	0	0	0	0	115
841	S	37.9	Very low	42.3	Very low	75 Å²	75	69.2 Å²	69.2	52%	0.524	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	0.9	168.7	59.9	0	0	0	0	113.7	P839	P839-S841 PolarHBondContact O-N 3.31Å
842	V	40.7	Very low	43	Very low	8 Å²	8	70.4 Å²	70.4	5%	0.048	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-25	-172.5	178.3	0	0	0	0	112.4	R741 A749 L838 P839	R741-V842 PolarHBondContact NH1-O 3.24Å; A749-V842 HydrophobicContact CB-CB 4.39Å; A749-V842 HydrophobicContact CB-CG1 3.61Å; A749-V842 HydrophobicContact CB-CG2 3.94Å; A749-V842 WeakPolarHBondContact O-CG2 3.46Å; L838-V842 HydrophobicContact CB-CB 4.04Å; L838-V842 HydrophobicContact CB-CG1 3.86Å; L838-V842 HydrophobicContact CD1-CG1 3.77Å; L838-V842 HydrophobicContact CD2-CG1 4.08Å; L838-V842 HydrophobicContact CG-CG1 4.11Å; P839-V842 HydrophobicContact CB-CG2 4.38Å; P839-V842 HydrophobicContact CG-CG2 4.41Å; P839-V842 WeakPolarHBondContact O-CA 3.42Å; P839-V842 WeakPolarHBondContact O-CB 3.27Å; P839-V842 PolarHBondContact O-N 3.07Å
843	I	40.8	Very low	43.8	Very low	145 Å²	145	73.8 Å²	73.8	74%	0.744	44%	0.436	S	S	*	.			trans	-71.6	0	159	-55.6	178.4	0	0	0	108.1	L838 P839	L838-I843 HydrophobicContact CB-CG1 4.17Å; L838-I843 WeakPolarHBondContact O-CD1 3.08Å; P839-I843 PolarHBondContact O-N 2.91Å

Retrieved 843 of 843 residues in 603.5 ms (Link to these results)

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